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 1k4q_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT cVNVGcVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.031 176.094 -0.105 0.000 1.182 18 V CA 0.000 62.228 62.300 -0.120 0.000 1.235 18 V CB 0.000 31.787 31.823 -0.059 0.000 1.184 19 A N 2.730 125.460 122.820 -0.150 0.000 2.450 19 A HA 0.732 5.052 4.320 0.000 0.000 0.255 19 A C 0.457 178.016 177.584 -0.042 0.000 1.096 19 A CA 0.491 52.469 52.037 -0.099 0.000 0.778 19 A CB 0.895 19.884 19.000 -0.017 0.000 1.031 19 A HN 1.081 nan 8.150 nan 0.000 0.494 20 S N 1.558 117.168 115.700 -0.151 0.000 2.501 20 S HA 0.763 5.233 4.470 0.000 0.000 0.301 20 S C -1.040 173.411 174.600 -0.248 0.000 1.096 20 S CA -0.381 57.777 58.200 -0.070 0.000 1.063 20 S CB 0.329 63.517 63.200 -0.021 0.000 1.042 20 S HN 0.515 nan 8.310 nan 0.000 0.494 21 Y N 1.061 121.437 120.300 0.127 0.000 2.662 21 Y HA 0.418 4.968 4.550 0.000 0.000 0.335 21 Y C 1.011 177.013 175.900 0.169 0.000 1.066 21 Y CA -0.826 57.352 58.100 0.130 0.000 1.116 21 Y CB 1.144 39.678 38.460 0.124 0.000 1.308 21 Y HN 0.553 nan 8.280 nan 0.000 0.502 22 D N -0.449 120.176 120.400 0.375 0.000 2.271 22 D HA -0.056 4.584 4.640 0.000 0.000 0.206 22 D C -0.852 175.798 176.300 0.584 0.000 0.967 22 D CA 1.547 55.779 54.000 0.387 0.000 0.867 22 D CB 0.428 41.396 40.800 0.280 0.000 0.960 22 D HN 0.258 nan 8.370 nan 0.000 0.509 23 Y N 0.483 120.962 120.300 0.298 0.000 2.362 23 Y HA 0.399 4.949 4.550 0.000 0.000 0.326 23 Y C -1.583 174.401 175.900 0.140 0.000 1.083 23 Y CA -0.943 57.332 58.100 0.291 0.000 1.073 23 Y CB 0.985 39.555 38.460 0.183 0.000 1.211 23 Y HN -0.275 nan 8.280 nan 0.000 0.433 24 L N 6.848 128.072 121.223 0.002 0.000 2.298 24 L HA 0.633 4.973 4.340 0.000 0.000 0.284 24 L C -1.143 175.523 176.870 -0.339 0.000 1.013 24 L CA -1.000 53.739 54.840 -0.167 0.000 0.824 24 L CB 1.371 43.420 42.059 -0.016 0.000 1.221 24 L HN 0.421 nan 8.230 nan 0.000 0.418 25 V N 5.876 125.555 119.914 -0.391 0.000 2.370 25 V HA 0.380 4.500 4.120 0.000 0.000 0.283 25 V C 0.251 176.202 176.094 -0.237 0.000 1.023 25 V CA -0.396 61.697 62.300 -0.346 0.000 0.857 25 V CB 1.829 33.443 31.823 -0.348 0.000 0.985 25 V HN 0.507 nan 8.190 nan 0.000 0.443 26 I N 4.875 125.337 120.570 -0.179 0.000 2.291 26 I HA 0.676 4.846 4.170 0.000 0.000 0.290 26 I C 0.726 176.769 176.117 -0.124 0.000 1.050 26 I CA -0.031 61.164 61.300 -0.174 0.000 1.245 26 I CB 0.995 38.884 38.000 -0.186 0.000 1.405 26 I HN 0.858 nan 8.210 nan 0.000 0.478 27 G N 3.626 112.350 108.800 -0.126 0.000 3.400 27 G HA2 0.003 3.963 3.960 0.000 0.000 0.679 27 G HA3 0.003 3.963 3.960 0.000 0.000 0.679 27 G C -0.054 174.793 174.900 -0.089 0.000 1.239 27 G CA -0.574 44.476 45.100 -0.084 0.000 1.049 27 G HN 0.933 nan 8.290 nan 0.000 0.539 28 G N 0.736 109.485 108.800 -0.086 0.000 3.882 28 G HA2 0.660 4.620 3.960 0.000 0.000 0.283 28 G HA3 0.660 4.620 3.960 0.000 0.000 0.283 28 G C 0.838 175.666 174.900 -0.120 0.000 1.283 28 G CA 0.890 45.930 45.100 -0.100 0.000 1.402 28 G HN 1.217 nan 8.290 nan 0.000 0.618 29 G N -0.024 108.715 108.800 -0.102 0.000 2.736 29 G HA2 0.396 4.356 3.960 0.000 0.000 0.229 29 G HA3 0.396 4.356 3.960 0.000 0.000 0.229 29 G C 1.222 176.049 174.900 -0.122 0.000 1.380 29 G CA 0.364 45.392 45.100 -0.120 0.000 1.040 29 G HN 0.172 nan 8.290 nan 0.000 0.568 30 S N -0.165 115.476 115.700 -0.099 0.000 2.359 30 S HA -0.162 4.308 4.470 0.000 0.000 0.222 30 S C 2.467 177.051 174.600 -0.028 0.000 1.038 30 S CA 1.915 60.074 58.200 -0.068 0.000 1.051 30 S CB -0.846 62.334 63.200 -0.033 0.000 0.944 30 S HN 0.797 nan 8.310 nan 0.000 0.433 31 G N 0.882 109.679 108.800 -0.006 0.000 2.402 31 G HA2 0.038 3.998 3.960 0.000 0.000 0.216 31 G HA3 0.038 3.998 3.960 0.000 0.000 0.216 31 G C 1.443 176.353 174.900 0.017 0.000 1.162 31 G CA 0.897 46.008 45.100 0.019 0.000 0.777 31 G HN 0.572 nan 8.290 nan 0.000 0.539 32 G N 1.117 109.910 108.800 -0.011 0.000 2.459 32 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 32 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 32 G C 1.813 176.695 174.900 -0.029 0.000 1.183 32 G CA 0.865 45.946 45.100 -0.031 0.000 0.776 32 G HN 0.399 nan 8.290 nan 0.000 0.552 33 L N 0.733 121.931 121.223 -0.042 0.000 2.017 33 L HA -0.096 4.244 4.340 0.000 0.000 0.208 33 L C 3.456 180.336 176.870 0.017 0.000 1.073 33 L CA 1.143 55.968 54.840 -0.025 0.000 0.745 33 L CB -0.677 41.353 42.059 -0.049 0.000 0.894 33 L HN 0.319 nan 8.230 nan 0.000 0.432 34 A N -0.670 122.165 122.820 0.024 0.000 1.883 34 A HA -0.255 4.065 4.320 0.000 0.000 0.217 34 A C 2.573 180.192 177.584 0.059 0.000 1.186 34 A CA 2.327 54.390 52.037 0.044 0.000 0.624 34 A CB -0.764 18.261 19.000 0.041 0.000 0.822 34 A HN 0.354 nan 8.150 nan 0.000 0.444 35 S N -0.872 114.877 115.700 0.082 0.000 2.355 35 S HA 0.005 4.475 4.470 0.000 0.000 0.222 35 S C 2.245 176.967 174.600 0.203 0.000 1.031 35 S CA 1.414 59.707 58.200 0.154 0.000 0.993 35 S CB -0.476 62.855 63.200 0.219 0.000 0.859 35 S HN 0.806 nan 8.310 nan 0.000 0.453 36 A N 1.680 124.587 122.820 0.145 0.000 1.908 36 A HA -0.120 4.200 4.320 0.000 0.000 0.218 36 A C 2.180 179.791 177.584 0.045 0.000 1.181 36 A CA 1.520 53.626 52.037 0.115 0.000 0.627 36 A CB -0.562 18.437 19.000 -0.001 0.000 0.818 36 A HN 0.579 nan 8.150 nan 0.000 0.445 37 R N -1.413 119.101 120.500 0.023 0.000 2.092 37 R HA -0.088 4.252 4.340 0.000 0.000 0.231 37 R C 2.416 178.700 176.300 -0.026 0.000 1.119 37 R CA 1.425 57.524 56.100 -0.001 0.000 0.970 37 R CB -0.229 30.079 30.300 0.013 0.000 0.864 37 R HN 0.417 nan 8.270 nan 0.000 0.440 38 R N 1.177 121.661 120.500 -0.026 0.000 2.090 38 R HA 0.020 4.360 4.340 0.000 0.000 0.228 38 R C 1.940 178.137 176.300 -0.172 0.000 1.110 38 R CA 1.604 57.654 56.100 -0.084 0.000 0.973 38 R CB -0.563 29.695 30.300 -0.070 0.000 0.869 38 R HN 0.204 nan 8.270 nan 0.000 0.440 39 A N 0.446 123.161 122.820 -0.176 0.000 1.858 39 A HA -0.045 4.275 4.320 0.000 0.000 0.216 39 A C 2.393 179.746 177.584 -0.385 0.000 1.190 39 A CA 1.865 53.658 52.037 -0.405 0.000 0.617 39 A CB -1.228 17.459 19.000 -0.521 0.000 0.827 39 A HN 0.454 nan 8.150 nan 0.000 0.443 40 A N -0.265 122.429 122.820 -0.210 0.000 1.917 40 A HA -0.240 4.081 4.320 0.000 0.000 0.219 40 A C 1.900 179.422 177.584 -0.104 0.000 1.182 40 A CA 1.843 53.801 52.037 -0.131 0.000 0.633 40 A CB -0.672 18.302 19.000 -0.044 0.000 0.819 40 A HN 0.656 nan 8.150 nan 0.000 0.448 41 E N -0.467 119.677 120.200 -0.095 0.000 2.160 41 E HA -0.154 4.196 4.350 0.000 0.000 0.195 41 E C 1.432 177.984 176.600 -0.081 0.000 0.991 41 E CA 1.068 57.429 56.400 -0.065 0.000 0.810 41 E CB -0.253 29.410 29.700 -0.061 0.000 0.742 41 E HN 0.654 nan 8.360 nan 0.000 0.466 42 L N -0.708 120.430 121.223 -0.142 0.000 2.591 42 L HA 0.129 4.469 4.340 0.000 0.000 0.228 42 L C 1.357 178.171 176.870 -0.094 0.000 1.133 42 L CA 0.384 55.153 54.840 -0.119 0.000 0.880 42 L CB 0.190 42.155 42.059 -0.156 0.000 1.033 42 L HN 0.305 nan 8.230 nan 0.000 0.450 43 G N -0.270 108.463 108.800 -0.110 0.000 2.179 43 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 43 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 43 G C 0.374 175.206 174.900 -0.114 0.000 0.990 43 G CA -0.117 44.940 45.100 -0.073 0.000 0.646 43 G HN 0.450 nan 8.290 nan 0.000 0.517 44 A N -0.031 122.619 122.820 -0.284 0.000 2.388 44 A HA 0.728 5.048 4.320 0.000 0.000 0.257 44 A C 0.643 178.137 177.584 -0.150 0.000 1.095 44 A CA 0.358 52.177 52.037 -0.363 0.000 0.791 44 A CB 0.418 18.747 19.000 -1.118 0.000 1.029 44 A HN 0.944 nan 8.150 nan 0.000 0.489 45 R N 1.897 122.392 120.500 -0.008 0.000 2.220 45 R HA 0.541 4.881 4.340 0.000 0.000 0.340 45 R C -0.225 176.186 176.300 0.185 0.000 1.076 45 R CA 0.698 56.864 56.100 0.110 0.000 0.920 45 R CB -0.260 30.134 30.300 0.157 0.000 1.062 45 R HN 0.849 nan 8.270 nan 0.000 0.469 46 A N 2.736 125.617 122.820 0.101 0.000 2.330 46 A HA 0.910 5.230 4.320 0.000 0.000 0.329 46 A C -1.104 176.382 177.584 -0.164 0.000 1.135 46 A CA -0.318 51.739 52.037 0.032 0.000 0.817 46 A CB 1.678 20.705 19.000 0.044 0.000 1.269 46 A HN 0.848 nan 8.150 nan 0.000 0.469 47 A N 0.224 122.814 122.820 -0.383 0.000 2.486 47 A HA 0.678 4.999 4.320 0.000 0.000 0.300 47 A C -1.329 176.018 177.584 -0.397 0.000 1.048 47 A CA -0.410 51.295 52.037 -0.554 0.000 0.696 47 A CB 1.475 19.744 19.000 -1.220 0.000 1.278 47 A HN 1.233 nan 8.150 nan 0.000 0.405 48 V N 2.006 121.733 119.914 -0.311 0.000 2.495 48 V HA 0.506 4.626 4.120 0.000 0.000 0.298 48 V C -0.399 175.541 176.094 -0.258 0.000 1.031 48 V CA -0.532 61.617 62.300 -0.252 0.000 0.871 48 V CB 1.751 33.471 31.823 -0.171 0.000 0.988 48 V HN 0.709 nan 8.190 nan 0.000 0.432 49 V N 3.766 123.527 119.914 -0.255 0.000 2.394 49 V HA 0.676 4.796 4.120 0.000 0.000 0.282 49 V C -0.357 175.630 176.094 -0.179 0.000 1.031 49 V CA -0.479 61.674 62.300 -0.245 0.000 0.881 49 V CB 1.520 33.175 31.823 -0.280 0.000 0.982 49 V HN 0.949 nan 8.190 nan 0.000 0.451 50 E N 2.797 122.909 120.200 -0.148 0.000 2.278 50 E HA 0.402 4.752 4.350 0.000 0.000 0.272 50 E C 0.392 176.933 176.600 -0.099 0.000 0.890 50 E CA -0.108 56.233 56.400 -0.099 0.000 0.770 50 E CB 2.110 31.762 29.700 -0.079 0.000 1.212 50 E HN 0.560 nan 8.360 nan 0.000 0.415 51 S N 3.584 119.232 115.700 -0.087 0.000 2.528 51 S HA 0.139 4.609 4.470 0.000 0.000 0.219 51 S C 0.791 175.115 174.600 -0.460 0.000 0.985 51 S CA 0.368 58.438 58.200 -0.215 0.000 0.914 51 S CB -0.174 62.928 63.200 -0.164 0.000 0.776 51 S HN 0.602 nan 8.310 nan 0.000 0.526 52 H N 1.191 120.251 119.070 -0.017 0.000 5.185 52 H HA 0.477 5.033 4.556 0.000 0.000 0.179 52 H C -0.469 174.843 175.328 -0.027 0.000 1.316 52 H CA -0.659 55.380 56.048 -0.014 0.000 0.320 52 H CB 0.057 29.815 29.762 -0.006 0.000 1.613 52 H HN 0.111 nan 8.280 nan 0.000 0.308 53 K N 1.771 122.253 120.400 0.137 0.000 2.185 53 K HA 0.377 4.697 4.320 0.000 0.000 0.269 53 K C -0.254 176.337 176.600 -0.015 0.000 0.987 53 K CA -0.403 55.906 56.287 0.036 0.000 0.865 53 K CB 1.922 34.435 32.500 0.021 0.000 1.090 53 K HN 0.179 nan 8.250 nan 0.000 0.450 54 L N 0.932 122.132 121.223 -0.038 0.000 2.483 54 L HA 0.012 4.352 4.340 0.000 0.000 0.275 54 L C 1.455 178.217 176.870 -0.181 0.000 1.220 54 L CA 1.011 55.796 54.840 -0.092 0.000 0.833 54 L CB 0.130 42.157 42.059 -0.054 0.000 1.102 54 L HN 1.110 nan 8.230 nan 0.000 0.490 55 G N 0.698 109.299 108.800 -0.331 0.000 2.259 55 G HA2 -0.071 3.890 3.960 0.000 0.000 0.217 55 G HA3 -0.071 3.890 3.960 0.000 0.000 0.217 55 G C 0.676 175.407 174.900 -0.281 0.000 1.001 55 G CA -0.135 44.667 45.100 -0.497 0.000 0.627 55 G HN 1.449 nan 8.290 nan 0.000 0.501 56 G N -0.715 107.982 108.800 -0.171 0.000 2.575 56 G HA2 -0.107 3.853 3.960 0.000 0.000 0.267 56 G HA3 -0.107 3.853 3.960 0.000 0.000 0.267 56 G C 1.052 175.898 174.900 -0.090 0.000 1.264 56 G CA 1.468 46.504 45.100 -0.106 0.000 0.935 56 G HN 1.337 nan 8.290 nan 0.000 0.568 57 T N -0.399 114.120 114.554 -0.058 0.000 2.708 57 T HA -0.202 4.148 4.350 0.000 0.000 0.266 57 T C 2.465 177.136 174.700 -0.048 0.000 1.037 57 T CA 2.550 64.629 62.100 -0.035 0.000 1.146 57 T CB -0.711 68.160 68.868 0.005 0.000 0.865 57 T HN 0.997 nan 8.240 nan 0.000 0.435 58 c N 1.253 119.824 118.600 -0.050 0.000 2.393 58 c HA -0.087 4.483 4.570 0.000 0.000 0.276 58 c C 2.761 176.795 174.090 -0.094 0.000 1.215 58 c CA 0.882 57.182 56.329 -0.049 0.000 1.743 58 c CB -1.226 41.260 42.510 -0.039 0.000 2.044 58 c HN 0.391 nan 8.230 nan 0.000 0.464 59 V N 1.895 121.734 119.914 -0.125 0.000 2.307 59 V HA -0.149 3.972 4.120 0.000 0.000 0.245 59 V C 2.342 178.337 176.094 -0.165 0.000 1.045 59 V CA 2.366 64.582 62.300 -0.139 0.000 1.024 59 V CB -0.740 30.989 31.823 -0.157 0.000 0.651 59 V HN 0.587 nan 8.190 nan 0.000 0.449 60 N N 0.495 119.105 118.700 -0.150 0.000 2.290 60 N HA -0.029 4.712 4.740 0.000 0.000 0.179 60 N C 1.102 176.482 175.510 -0.216 0.000 1.016 60 N CA 1.813 54.774 53.050 -0.148 0.000 0.871 60 N CB 0.628 39.061 38.487 -0.090 0.000 0.987 60 N HN 0.563 nan 8.380 nan 0.000 0.431 61 V N -3.648 116.142 119.914 -0.207 0.000 3.047 61 V HA 0.652 4.773 4.120 0.000 0.000 0.374 61 V C 0.383 176.395 176.094 -0.137 0.000 1.399 61 V CA -0.268 61.883 62.300 -0.248 0.000 1.251 61 V CB 0.559 32.440 31.823 0.095 0.000 1.228 61 V HN 0.136 nan 8.190 nan 0.000 0.589 62 G N -0.107 108.575 108.800 -0.197 0.000 3.382 62 G HA2 0.236 4.196 3.960 0.000 0.000 0.183 62 G HA3 0.236 4.196 3.960 0.000 0.000 0.183 62 G C 0.977 175.867 174.900 -0.017 0.000 1.246 62 G CA 0.661 45.756 45.100 -0.009 0.000 0.828 62 G HN 0.291 nan 8.290 nan 0.000 0.728 63 c N 0.265 118.873 118.600 0.013 0.000 2.349 63 c HA -0.096 4.475 4.570 0.000 0.000 0.274 63 c C 2.874 176.937 174.090 -0.044 0.000 1.178 63 c CA 1.093 57.425 56.329 0.004 0.000 1.769 63 c CB -1.570 40.945 42.510 0.008 0.000 2.047 63 c HN 0.272 nan 8.230 nan 0.000 0.448 64 V N 3.082 122.957 119.914 -0.066 0.000 2.220 64 V HA -0.167 3.953 4.120 0.000 0.000 0.246 64 V C 0.257 176.329 176.094 -0.038 0.000 1.049 64 V CA 2.823 65.095 62.300 -0.047 0.000 1.003 64 V CB -2.165 29.598 31.823 -0.099 0.000 0.634 64 V HN 0.389 nan 8.190 nan 0.000 0.444 65 P HA -0.197 nan 4.420 nan 0.000 0.218 65 P C 1.580 178.940 177.300 0.100 0.000 1.148 65 P CA 1.520 64.525 63.100 -0.159 0.000 0.822 65 P CB -0.119 31.187 31.700 -0.657 0.000 0.784 66 K N 0.982 121.459 120.400 0.129 0.000 2.025 66 K HA -0.173 4.147 4.320 0.000 0.000 0.207 66 K C 2.111 178.805 176.600 0.157 0.000 1.049 66 K CA 1.597 58.074 56.287 0.316 0.000 0.933 66 K CB -0.397 32.258 32.500 0.258 0.000 0.714 66 K HN -0.139 nan 8.250 nan 0.000 0.438 67 K N 0.814 121.212 120.400 -0.004 0.000 2.097 67 K HA -0.058 4.263 4.320 0.000 0.000 0.206 67 K C 1.982 178.639 176.600 0.095 0.000 1.049 67 K CA 1.175 57.406 56.287 -0.092 0.000 0.933 67 K CB -0.325 32.047 32.500 -0.212 0.000 0.717 67 K HN -0.001 nan 8.250 nan 0.000 0.442 68 V N 0.697 120.671 119.914 0.100 0.000 2.295 68 V HA -0.269 3.851 4.120 0.000 0.000 0.246 68 V C 2.307 178.454 176.094 0.089 0.000 1.049 68 V CA 1.732 64.084 62.300 0.087 0.000 1.024 68 V CB -0.455 31.421 31.823 0.087 0.000 0.648 68 V HN 0.346 nan 8.190 nan 0.000 0.447 69 M N -1.698 117.988 119.600 0.143 0.000 2.229 69 M HA -0.147 4.333 4.480 0.000 0.000 0.264 69 M C 1.955 178.346 176.300 0.151 0.000 1.063 69 M CA 1.386 56.759 55.300 0.121 0.000 1.114 69 M CB -1.258 31.493 32.600 0.252 0.000 1.387 69 M HN 0.631 nan 8.290 nan 0.000 0.420 70 W N 2.417 123.733 121.300 0.026 0.000 2.381 70 W HA -0.146 4.514 4.660 0.000 0.000 0.301 70 W C 1.895 178.439 176.519 0.042 0.000 1.205 70 W CA 1.417 58.788 57.345 0.044 0.000 1.285 70 W CB -0.400 29.037 29.460 -0.038 0.000 1.133 70 W HN 0.242 nan 8.180 nan 0.000 0.521 71 N N -0.411 118.354 118.700 0.109 0.000 2.223 71 N HA -0.144 4.596 4.740 0.000 0.000 0.185 71 N C 1.561 177.005 175.510 -0.109 0.000 1.016 71 N CA 2.163 55.185 53.050 -0.047 0.000 0.863 71 N CB -0.855 37.678 38.487 0.075 0.000 0.983 71 N HN 0.170 nan 8.380 nan 0.000 0.429 72 T N 0.495 114.986 114.554 -0.104 0.000 2.857 72 T HA 0.035 4.385 4.350 0.000 0.000 0.266 72 T C 1.965 176.507 174.700 -0.265 0.000 1.048 72 T CA 1.131 63.129 62.100 -0.170 0.000 1.139 72 T CB -0.185 68.562 68.868 -0.203 0.000 0.874 72 T HN 0.305 nan 8.240 nan 0.000 0.455 73 A N 0.971 123.620 122.820 -0.285 0.000 1.930 73 A HA 0.014 4.334 4.320 0.000 0.000 0.217 73 A C 2.533 179.831 177.584 -0.476 0.000 1.175 73 A CA 0.958 52.780 52.037 -0.358 0.000 0.627 73 A CB -0.926 17.933 19.000 -0.234 0.000 0.815 73 A HN 0.336 nan 8.150 nan 0.000 0.443 74 V N -0.419 119.164 119.914 -0.551 0.000 2.490 74 V HA -0.257 3.864 4.120 0.000 0.000 0.250 74 V C 2.433 178.175 176.094 -0.587 0.000 1.061 74 V CA 2.029 63.891 62.300 -0.730 0.000 1.064 74 V CB -0.977 30.332 31.823 -0.856 0.000 0.670 74 V HN 0.667 nan 8.190 nan 0.000 0.461 75 H N -0.667 118.176 119.070 -0.378 0.000 2.353 75 H HA -0.133 4.423 4.556 0.000 0.000 0.300 75 H C 2.654 177.814 175.328 -0.280 0.000 1.090 75 H CA 1.912 57.825 56.048 -0.225 0.000 1.327 75 H CB 0.022 29.677 29.762 -0.179 0.000 1.383 75 H HN 0.453 nan 8.280 nan 0.000 0.508 76 S N 0.143 115.692 115.700 -0.251 0.000 2.368 76 S HA -0.137 4.333 4.470 0.000 0.000 0.225 76 S C 1.978 176.220 174.600 -0.597 0.000 1.030 76 S CA 1.368 59.344 58.200 -0.373 0.000 0.999 76 S CB 0.002 62.980 63.200 -0.368 0.000 0.844 76 S HN 0.484 nan 8.310 nan 0.000 0.459 77 E N -0.282 119.596 120.200 -0.536 0.000 2.077 77 E HA -0.102 4.249 4.350 0.000 0.000 0.193 77 E C 1.759 178.222 176.600 -0.229 0.000 0.989 77 E CA 1.472 57.611 56.400 -0.435 0.000 0.800 77 E CB -0.266 29.128 29.700 -0.510 0.000 0.746 77 E HN 0.668 nan 8.360 nan 0.000 0.452 78 F N 0.503 120.337 119.950 -0.193 0.000 2.293 78 F HA -0.123 4.404 4.527 0.000 0.000 0.300 78 F C 2.542 178.296 175.800 -0.077 0.000 1.086 78 F CA 0.223 58.162 58.000 -0.101 0.000 1.375 78 F CB -0.074 38.789 39.000 -0.228 0.000 1.045 78 F HN 0.078 nan 8.300 nan 0.000 0.516 79 M N -0.179 119.396 119.600 -0.041 0.000 2.279 79 M HA -0.211 4.269 4.480 0.000 0.000 0.264 79 M C 1.836 178.181 176.300 0.074 0.000 1.062 79 M CA 1.672 56.922 55.300 -0.084 0.000 1.099 79 M CB -0.359 32.142 32.600 -0.164 0.000 1.394 79 M HN 0.113 nan 8.290 nan 0.000 0.426 80 H N 0.431 119.575 119.070 0.124 0.000 2.457 80 H HA -0.021 4.535 4.556 0.000 0.000 0.294 80 H C 1.006 176.457 175.328 0.206 0.000 1.064 80 H CA 1.221 57.350 56.048 0.135 0.000 1.330 80 H CB -0.288 29.532 29.762 0.097 0.000 1.395 80 H HN 0.508 nan 8.280 nan 0.000 0.541 81 D N -0.941 119.702 120.400 0.404 0.000 2.350 81 D HA -0.045 4.595 4.640 0.000 0.000 0.213 81 D C 1.821 178.392 176.300 0.451 0.000 1.031 81 D CA 0.151 54.407 54.000 0.427 0.000 0.861 81 D CB -0.102 41.036 40.800 0.563 0.000 0.926 81 D HN 0.326 nan 8.370 nan 0.000 0.520 82 H N 1.967 121.196 119.070 0.265 0.000 2.265 82 H HA -0.154 4.402 4.556 0.000 0.000 0.293 82 H C 2.023 177.550 175.328 0.333 0.000 1.089 82 H CA 2.182 58.386 56.048 0.260 0.000 1.244 82 H CB -0.237 29.616 29.762 0.152 0.000 1.355 82 H HN 0.118 nan 8.280 nan 0.000 0.485 83 A N 0.339 123.335 122.820 0.293 0.000 1.940 83 A HA -0.193 4.127 4.320 0.000 0.000 0.219 83 A C 2.123 179.772 177.584 0.108 0.000 1.176 83 A CA 1.959 54.098 52.037 0.169 0.000 0.631 83 A CB -0.455 18.629 19.000 0.140 0.000 0.814 83 A HN 0.480 nan 8.150 nan 0.000 0.446 84 D N -1.718 118.753 120.400 0.117 0.000 2.218 84 D HA -0.116 4.524 4.640 0.000 0.000 0.204 84 D C 0.679 176.902 176.300 -0.129 0.000 0.976 84 D CA 1.081 55.071 54.000 -0.016 0.000 0.853 84 D CB -0.230 40.548 40.800 -0.035 0.000 0.939 84 D HN 0.653 nan 8.370 nan 0.000 0.481 85 Y N -0.392 119.939 120.300 0.053 0.000 2.532 85 Y HA 0.282 4.832 4.550 0.000 0.000 0.283 85 Y C 1.614 177.465 175.900 -0.082 0.000 1.181 85 Y CA 0.115 58.241 58.100 0.043 0.000 1.256 85 Y CB 0.583 39.146 38.460 0.171 0.000 1.112 85 Y HN 0.013 nan 8.280 nan 0.000 0.521 86 G N -0.626 108.144 108.800 -0.050 0.000 2.143 86 G HA2 -0.302 3.658 3.960 0.000 0.000 0.249 86 G HA3 -0.302 3.658 3.960 0.000 0.000 0.249 86 G C -0.134 174.529 174.900 -0.395 0.000 0.981 86 G CA -0.225 44.734 45.100 -0.235 0.000 0.665 86 G HN 0.236 nan 8.290 nan 0.000 0.528 87 F N 0.720 120.569 119.950 -0.168 0.000 2.483 87 F HA 0.634 5.161 4.527 0.000 0.000 0.329 87 F C -1.788 173.945 175.800 -0.112 0.000 1.064 87 F CA -2.534 55.307 58.000 -0.265 0.000 0.986 87 F CB 1.406 39.882 39.000 -0.873 0.000 1.218 87 F HN -0.174 nan 8.300 nan 0.000 0.484 88 P HA 0.091 nan 4.420 nan 0.000 0.275 88 P C -0.553 176.903 177.300 0.260 0.000 1.227 88 P CA -0.342 62.863 63.100 0.175 0.000 0.781 88 P CB 0.897 32.688 31.700 0.152 0.000 0.906 89 S N 1.416 117.235 115.700 0.198 0.000 2.552 89 S HA 0.036 4.506 4.470 0.000 0.000 0.289 89 S C 0.181 174.894 174.600 0.189 0.000 1.304 89 S CA -0.230 58.095 58.200 0.209 0.000 1.063 89 S CB -0.325 62.962 63.200 0.145 0.000 0.848 89 S HN 0.476 nan 8.310 nan 0.000 0.499 90 C N 4.247 123.651 119.300 0.172 0.000 2.435 90 C HA 0.303 4.763 4.460 0.000 0.000 0.375 90 C C 1.763 176.807 174.990 0.090 0.000 1.281 90 C CA -0.514 58.561 59.018 0.094 0.000 1.963 90 C CB 0.071 27.814 27.740 0.005 0.000 2.490 90 C HN 1.088 nan 8.230 nan 0.000 0.557 91 E N 3.257 123.502 120.200 0.074 0.000 2.099 91 E HA 0.062 4.412 4.350 0.000 0.000 0.191 91 E C 1.113 177.752 176.600 0.066 0.000 0.962 91 E CA 0.533 56.974 56.400 0.069 0.000 0.826 91 E CB -0.394 29.341 29.700 0.059 0.000 0.788 91 E HN 0.825 nan 8.360 nan 0.000 0.461 92 G N 3.169 112.003 108.800 0.057 0.000 2.497 92 G HA2 -0.179 3.781 3.960 0.000 0.000 0.228 92 G HA3 -0.179 3.781 3.960 0.000 0.000 0.228 92 G C 0.047 174.996 174.900 0.082 0.000 1.190 92 G CA 0.370 45.506 45.100 0.059 0.000 0.857 92 G HN 0.357 nan 8.290 nan 0.000 0.526 93 K N 1.623 122.069 120.400 0.077 0.000 2.174 93 K HA 0.364 4.685 4.320 0.000 0.000 0.275 93 K C -0.617 176.068 176.600 0.141 0.000 1.015 93 K CA -0.810 55.539 56.287 0.103 0.000 0.933 93 K CB 1.462 33.999 32.500 0.063 0.000 1.025 93 K HN 0.237 nan 8.250 nan 0.000 0.463 94 F N 2.814 122.786 119.950 0.036 0.000 2.443 94 F HA 0.181 4.708 4.527 0.000 0.000 0.353 94 F C -0.124 175.715 175.800 0.065 0.000 1.101 94 F CA -0.648 57.375 58.000 0.038 0.000 1.226 94 F CB 0.683 39.717 39.000 0.056 0.000 1.140 94 F HN 0.678 nan 8.300 nan 0.000 0.557 95 N N 7.529 125.797 118.700 -0.719 0.000 2.609 95 N HA 0.000 4.740 4.740 0.000 0.000 0.234 95 N C 0.720 175.610 175.510 -1.033 0.000 1.001 95 N CA -0.479 52.200 53.050 -0.620 0.000 0.926 95 N CB -0.028 38.280 38.487 -0.298 0.000 1.130 95 N HN 0.917 nan 8.380 nan 0.000 0.510 96 W N 5.394 126.035 121.300 -1.098 0.000 2.333 96 W HA -0.195 4.466 4.660 0.000 0.000 0.316 96 W C 1.487 177.819 176.519 -0.312 0.000 1.215 96 W CA 1.686 58.613 57.345 -0.696 0.000 1.278 96 W CB 0.075 29.402 29.460 -0.221 0.000 1.154 96 W HN 0.681 nan 8.180 nan 0.000 0.486 97 R N 0.290 120.846 120.500 0.094 0.000 2.237 97 R HA -0.093 4.247 4.340 0.000 0.000 0.219 97 R C 1.760 178.031 176.300 -0.048 0.000 1.080 97 R CA 1.500 57.644 56.100 0.072 0.000 0.995 97 R CB -0.996 29.350 30.300 0.076 0.000 0.875 97 R HN 0.078 nan 8.270 nan 0.000 0.462 98 V N 1.183 121.022 119.914 -0.125 0.000 2.307 98 V HA -0.190 3.930 4.120 0.000 0.000 0.245 98 V C 2.175 178.207 176.094 -0.104 0.000 1.045 98 V CA 1.543 63.777 62.300 -0.111 0.000 1.024 98 V CB -0.338 31.404 31.823 -0.135 0.000 0.651 98 V HN 0.286 nan 8.190 nan 0.000 0.449 99 I N -0.351 120.133 120.570 -0.145 0.000 2.406 99 I HA -0.103 4.067 4.170 0.000 0.000 0.249 99 I C 2.370 178.408 176.117 -0.132 0.000 1.122 99 I CA 1.501 62.735 61.300 -0.110 0.000 1.431 99 I CB -0.490 37.486 38.000 -0.040 0.000 1.087 99 I HN 0.131 nan 8.210 nan 0.000 0.424 100 K N 0.465 120.750 120.400 -0.191 0.000 2.063 100 K HA -0.240 4.080 4.320 0.000 0.000 0.208 100 K C 1.966 178.552 176.600 -0.024 0.000 1.048 100 K CA 1.876 58.090 56.287 -0.122 0.000 0.928 100 K CB -0.080 32.398 32.500 -0.035 0.000 0.713 100 K HN 0.409 nan 8.250 nan 0.000 0.442 101 E N 0.282 120.472 120.200 -0.017 0.000 2.077 101 E HA -0.144 4.206 4.350 0.000 0.000 0.193 101 E C 2.023 178.625 176.600 0.004 0.000 0.989 101 E CA 1.280 57.681 56.400 0.002 0.000 0.800 101 E CB 0.152 29.849 29.700 -0.004 0.000 0.746 101 E HN 0.245 nan 8.360 nan 0.000 0.452 102 K N 0.343 120.736 120.400 -0.012 0.000 2.097 102 K HA -0.122 4.198 4.320 0.000 0.000 0.205 102 K C 2.236 178.855 176.600 0.032 0.000 1.050 102 K CA 0.679 56.964 56.287 -0.005 0.000 0.938 102 K CB -0.076 32.403 32.500 -0.035 0.000 0.718 102 K HN 0.006 nan 8.250 nan 0.000 0.442 103 R N 1.269 121.784 120.500 0.026 0.000 2.062 103 R HA -0.147 4.194 4.340 0.000 0.000 0.231 103 R C 1.555 177.905 176.300 0.085 0.000 1.136 103 R CA 1.821 57.963 56.100 0.070 0.000 0.948 103 R CB -0.059 30.261 30.300 0.033 0.000 0.845 103 R HN 0.097 nan 8.270 nan 0.000 0.430 104 D N 0.270 120.700 120.400 0.049 0.000 2.123 104 D HA -0.163 4.477 4.640 0.000 0.000 0.196 104 D C 1.695 178.021 176.300 0.044 0.000 0.992 104 D CA 1.598 55.621 54.000 0.038 0.000 0.833 104 D CB -0.290 40.532 40.800 0.037 0.000 0.954 104 D HN 0.377 nan 8.370 nan 0.000 0.455 105 A N 0.098 122.953 122.820 0.058 0.000 1.902 105 A HA -0.232 4.089 4.320 0.000 0.000 0.217 105 A C 2.196 179.846 177.584 0.111 0.000 1.181 105 A CA 1.270 53.346 52.037 0.065 0.000 0.623 105 A CB -1.010 18.023 19.000 0.054 0.000 0.818 105 A HN 0.312 nan 8.150 nan 0.000 0.443 106 Y N 0.751 121.041 120.300 -0.017 0.000 2.181 106 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 106 Y C 2.354 178.247 175.900 -0.011 0.000 1.146 106 Y CA 1.481 59.571 58.100 -0.016 0.000 1.164 106 Y CB -0.585 37.862 38.460 -0.021 0.000 0.982 106 Y HN 0.067 nan 8.280 nan 0.000 0.515 107 V N -0.743 119.115 119.914 -0.093 0.000 2.407 107 V HA -0.280 3.840 4.120 0.000 0.000 0.248 107 V C 2.460 178.492 176.094 -0.104 0.000 1.055 107 V CA 2.028 64.221 62.300 -0.179 0.000 1.049 107 V CB -0.901 30.857 31.823 -0.110 0.000 0.662 107 V HN 0.373 nan 8.190 nan 0.000 0.455 108 S N -0.411 115.266 115.700 -0.038 0.000 2.368 108 S HA -0.190 4.280 4.470 0.000 0.000 0.225 108 S C 2.088 176.678 174.600 -0.017 0.000 1.030 108 S CA 1.418 59.609 58.200 -0.015 0.000 0.999 108 S CB -0.300 62.904 63.200 0.007 0.000 0.844 108 S HN 0.541 nan 8.310 nan 0.000 0.459 109 R N 0.735 121.226 120.500 -0.014 0.000 2.081 109 R HA -0.002 4.339 4.340 0.000 0.000 0.235 109 R C 2.274 178.541 176.300 -0.055 0.000 1.131 109 R CA 1.073 57.167 56.100 -0.010 0.000 0.960 109 R CB -0.646 29.683 30.300 0.049 0.000 0.856 109 R HN 0.374 nan 8.270 nan 0.000 0.436 110 L N 0.642 121.793 121.223 -0.120 0.000 2.046 110 L HA -0.198 4.143 4.340 0.000 0.000 0.208 110 L C 1.864 178.773 176.870 0.066 0.000 1.077 110 L CA 1.520 56.299 54.840 -0.102 0.000 0.747 110 L CB -0.602 41.359 42.059 -0.164 0.000 0.896 110 L HN 0.310 nan 8.230 nan 0.000 0.432 111 N N -0.024 118.706 118.700 0.051 0.000 2.069 111 N HA -0.198 4.542 4.740 0.000 0.000 0.191 111 N C 1.945 177.497 175.510 0.069 0.000 1.031 111 N CA 1.221 54.321 53.050 0.084 0.000 0.852 111 N CB -0.209 38.291 38.487 0.023 0.000 1.018 111 N HN 0.321 nan 8.380 nan 0.000 0.423 112 A N 1.123 123.954 122.820 0.018 0.000 1.902 112 A HA -0.116 4.204 4.320 0.000 0.000 0.217 112 A C 2.142 179.715 177.584 -0.018 0.000 1.181 112 A CA 1.065 53.102 52.037 0.001 0.000 0.623 112 A CB -0.644 18.351 19.000 -0.009 0.000 0.818 112 A HN 0.223 nan 8.150 nan 0.000 0.443 113 I N -2.101 118.434 120.570 -0.059 0.000 2.226 113 I HA -0.264 3.906 4.170 0.000 0.000 0.245 113 I C 2.343 178.361 176.117 -0.164 0.000 1.100 113 I CA 1.392 62.607 61.300 -0.141 0.000 1.374 113 I CB -0.356 37.499 38.000 -0.241 0.000 1.057 113 I HN 0.383 nan 8.210 nan 0.000 0.413 114 Y N 0.613 120.881 120.300 -0.053 0.000 2.242 114 Y HA -0.270 4.281 4.550 0.000 0.000 0.291 114 Y C 2.732 178.601 175.900 -0.051 0.000 1.137 114 Y CA 1.504 59.572 58.100 -0.053 0.000 1.181 114 Y CB -0.515 37.911 38.460 -0.057 0.000 0.989 114 Y HN 0.215 nan 8.280 nan 0.000 0.527 115 Q N 0.325 120.183 119.800 0.097 0.000 2.050 115 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 115 Q C 2.250 178.250 176.000 -0.000 0.000 0.980 115 Q CA 1.655 57.479 55.803 0.035 0.000 0.840 115 Q CB -0.316 28.433 28.738 0.017 0.000 0.898 115 Q HN 0.532 nan 8.270 nan 0.000 0.424 116 N N -0.104 118.585 118.700 -0.019 0.000 2.104 116 N HA -0.198 4.542 4.740 0.000 0.000 0.190 116 N C 1.337 176.814 175.510 -0.056 0.000 1.024 116 N CA 1.470 54.495 53.050 -0.042 0.000 0.853 116 N CB -0.151 38.304 38.487 -0.052 0.000 1.008 116 N HN 0.374 nan 8.380 nan 0.000 0.424 117 N N 0.399 119.067 118.700 -0.052 0.000 2.149 117 N HA -0.117 4.623 4.740 0.000 0.000 0.188 117 N C 1.896 177.379 175.510 -0.045 0.000 1.019 117 N CA 0.691 53.709 53.050 -0.053 0.000 0.857 117 N CB 0.045 38.507 38.487 -0.041 0.000 0.997 117 N HN 0.243 nan 8.380 nan 0.000 0.426 118 L N 0.523 121.732 121.223 -0.023 0.000 2.005 118 L HA -0.159 4.181 4.340 0.000 0.000 0.207 118 L C 2.925 179.752 176.870 -0.073 0.000 1.072 118 L CA 1.588 56.408 54.840 -0.034 0.000 0.744 118 L CB -1.265 40.782 42.059 -0.020 0.000 0.895 118 L HN 0.421 nan 8.230 nan 0.000 0.433 119 T N -2.178 112.332 114.554 -0.073 0.000 2.665 119 T HA -0.274 4.077 4.350 0.000 0.000 0.268 119 T C 1.824 176.395 174.700 -0.215 0.000 1.035 119 T CA 1.357 63.399 62.100 -0.097 0.000 1.151 119 T CB -0.352 68.478 68.868 -0.063 0.000 0.862 119 T HN 0.224 nan 8.240 nan 0.000 0.438 120 K N 0.851 121.128 120.400 -0.205 0.000 2.211 120 K HA 0.026 4.346 4.320 0.000 0.000 0.204 120 K C 2.440 178.763 176.600 -0.461 0.000 1.047 120 K CA 1.387 57.500 56.287 -0.289 0.000 0.935 120 K CB -0.190 32.216 32.500 -0.157 0.000 0.728 120 K HN 0.326 nan 8.250 nan 0.000 0.452 121 S N -0.526 114.994 115.700 -0.301 0.000 2.593 121 S HA 0.019 4.489 4.470 0.000 0.000 0.217 121 S C -0.561 173.968 174.600 -0.119 0.000 0.966 121 S CA -0.006 58.083 58.200 -0.185 0.000 0.914 121 S CB -0.112 63.047 63.200 -0.069 0.000 0.776 121 S HN 0.393 nan 8.310 nan 0.000 0.523 122 H N -0.474 118.592 119.070 -0.006 0.000 2.886 122 H HA -0.119 4.437 4.556 0.000 0.000 0.294 122 H C -0.514 174.815 175.328 0.002 0.000 1.246 122 H CA 0.437 56.486 56.048 0.002 0.000 1.142 122 H CB -2.143 27.623 29.762 0.006 0.000 1.358 122 H HN 0.350 nan 8.280 nan 0.000 0.406 123 I N 1.108 121.697 120.570 0.030 0.000 2.331 123 I HA 0.117 4.287 4.170 0.000 0.000 0.292 123 I C 0.855 176.958 176.117 -0.022 0.000 0.998 123 I CA -0.303 60.996 61.300 -0.001 0.000 1.267 123 I CB 1.297 39.276 38.000 -0.035 0.000 1.386 123 I HN 0.266 nan 8.210 nan 0.000 0.476 124 E N 6.499 126.674 120.200 -0.041 0.000 2.338 124 E HA 0.327 4.677 4.350 0.000 0.000 0.272 124 E C -0.981 175.539 176.600 -0.134 0.000 1.029 124 E CA -0.242 56.125 56.400 -0.057 0.000 0.872 124 E CB 0.801 30.486 29.700 -0.025 0.000 1.015 124 E HN 0.413 nan 8.360 nan 0.000 0.417 125 I N 6.051 126.562 120.570 -0.098 0.000 2.328 125 I HA 0.249 4.419 4.170 0.000 0.000 0.287 125 I C -0.465 175.571 176.117 -0.135 0.000 1.012 125 I CA -0.434 60.794 61.300 -0.120 0.000 1.195 125 I CB 0.983 38.937 38.000 -0.077 0.000 1.350 125 I HN 0.461 nan 8.210 nan 0.000 0.464 126 I N 6.511 126.956 120.570 -0.209 0.000 2.291 126 I HA 0.289 4.459 4.170 0.000 0.000 0.290 126 I C 0.258 176.272 176.117 -0.173 0.000 1.050 126 I CA -0.542 60.620 61.300 -0.229 0.000 1.245 126 I CB 0.534 38.269 38.000 -0.443 0.000 1.405 126 I HN 0.454 nan 8.210 nan 0.000 0.478 127 R N 4.474 124.908 120.500 -0.109 0.000 2.298 127 R HA 0.715 5.055 4.340 0.000 0.000 0.310 127 R C 0.189 176.441 176.300 -0.081 0.000 1.068 127 R CA 0.122 56.168 56.100 -0.090 0.000 0.957 127 R CB 1.155 31.418 30.300 -0.061 0.000 1.003 127 R HN 0.898 nan 8.270 nan 0.000 0.454 128 G N 0.899 109.643 108.800 -0.093 0.000 2.369 128 G HA2 -0.053 3.907 3.960 0.000 0.000 0.307 128 G HA3 -0.053 3.907 3.960 0.000 0.000 0.307 128 G C -1.904 172.965 174.900 -0.052 0.000 1.327 128 G CA -1.051 44.012 45.100 -0.061 0.000 0.963 128 G HN 0.713 nan 8.290 nan 0.000 0.590 129 H N 0.183 119.197 119.070 -0.093 0.000 2.562 129 H HA 0.749 5.305 4.556 0.000 0.000 0.314 129 H C 0.465 175.751 175.328 -0.069 0.000 1.079 129 H CA 0.537 56.540 56.048 -0.075 0.000 1.349 129 H CB 1.177 30.908 29.762 -0.052 0.000 1.432 129 H HN 0.937 nan 8.280 nan 0.000 0.479 130 A N 3.886 126.360 122.820 -0.577 0.000 2.303 130 A HA 0.801 5.121 4.320 0.000 0.000 0.317 130 A C -0.793 176.519 177.584 -0.453 0.000 1.149 130 A CA -0.002 51.790 52.037 -0.409 0.000 0.822 130 A CB 0.549 19.321 19.000 -0.379 0.000 1.131 130 A HN 0.967 nan 8.150 nan 0.000 0.493 131 A N 0.858 123.536 122.820 -0.237 0.000 2.574 131 A HA 0.683 5.003 4.320 0.000 0.000 0.297 131 A C -0.998 176.493 177.584 -0.155 0.000 1.062 131 A CA -0.577 51.387 52.037 -0.122 0.000 0.686 131 A CB 0.566 19.626 19.000 0.099 0.000 1.285 131 A HN 0.676 nan 8.150 nan 0.000 0.403 132 F N 1.551 121.521 119.950 0.034 0.000 2.429 132 F HA 0.440 4.967 4.527 0.000 0.000 0.348 132 F C 1.688 177.511 175.800 0.038 0.000 1.109 132 F CA 0.902 58.922 58.000 0.033 0.000 1.232 132 F CB 1.549 40.563 39.000 0.023 0.000 1.157 132 F HN 0.683 nan 8.300 nan 0.000 0.564 133 T N -2.001 112.694 114.554 0.235 0.000 2.897 133 T HA 0.228 4.579 4.350 0.000 0.000 0.278 133 T C 0.933 175.705 174.700 0.121 0.000 0.981 133 T CA -0.377 61.807 62.100 0.140 0.000 0.973 133 T CB 1.282 70.209 68.868 0.099 0.000 1.092 133 T HN 0.533 nan 8.240 nan 0.000 0.543 134 S N -0.689 115.058 115.700 0.078 0.000 2.561 134 S HA 0.036 4.506 4.470 0.000 0.000 0.225 134 S C 0.389 175.015 174.600 0.044 0.000 0.977 134 S CA -0.246 57.986 58.200 0.053 0.000 0.926 134 S CB -0.556 62.668 63.200 0.039 0.000 0.769 134 S HN 0.730 nan 8.310 nan 0.000 0.533 135 D N 3.364 123.796 120.400 0.053 0.000 2.506 135 D HA 0.079 4.720 4.640 0.000 0.000 0.234 135 D C -1.360 174.962 176.300 0.036 0.000 1.143 135 D CA -0.977 53.049 54.000 0.043 0.000 0.871 135 D CB 0.485 41.316 40.800 0.051 0.000 1.190 135 D HN 0.074 nan 8.370 nan 0.000 0.459 136 P HA -0.144 nan 4.420 nan 0.000 0.205 136 P C 0.042 177.352 177.300 0.016 0.000 1.181 136 P CA 1.312 64.420 63.100 0.013 0.000 0.933 136 P CB -0.003 31.703 31.700 0.010 0.000 0.775 137 K N 0.777 121.190 120.400 0.022 0.000 2.448 137 K HA 0.148 4.468 4.320 0.000 0.000 0.278 137 K C -2.366 174.266 176.600 0.053 0.000 1.009 137 K CA -1.529 54.774 56.287 0.027 0.000 0.995 137 K CB -0.717 31.800 32.500 0.028 0.000 0.917 137 K HN -0.027 nan 8.250 nan 0.000 0.481 138 P HA -0.073 nan 4.420 nan 0.000 0.253 138 P C -1.183 176.229 177.300 0.186 0.000 1.159 138 P CA 0.587 63.761 63.100 0.122 0.000 0.779 138 P CB 0.362 32.121 31.700 0.100 0.000 0.745 139 T N 3.946 118.641 114.554 0.235 0.000 2.916 139 T HA 0.688 5.038 4.350 0.000 0.000 0.305 139 T C 0.044 174.858 174.700 0.191 0.000 1.119 139 T CA -0.579 61.634 62.100 0.187 0.000 1.008 139 T CB 1.059 69.998 68.868 0.118 0.000 1.129 139 T HN 0.282 nan 8.240 nan 0.000 0.480 140 I N -1.142 119.484 120.570 0.094 0.000 2.957 140 I HA 0.853 5.023 4.170 0.000 0.000 0.310 140 I C -0.787 175.373 176.117 0.071 0.000 1.063 140 I CA -0.939 60.346 61.300 -0.025 0.000 1.033 140 I CB 2.457 40.321 38.000 -0.228 0.000 1.230 140 I HN 0.531 nan 8.210 nan 0.000 0.447 141 E N 2.803 123.030 120.200 0.045 0.000 2.246 141 E HA 0.593 4.943 4.350 0.000 0.000 0.266 141 E C -1.874 174.787 176.600 0.102 0.000 0.880 141 E CA -0.759 55.699 56.400 0.097 0.000 0.762 141 E CB 2.620 32.358 29.700 0.063 0.000 1.180 141 E HN 0.592 nan 8.360 nan 0.000 0.416 142 V N 3.240 123.265 119.914 0.185 0.000 2.380 142 V HA 0.194 4.314 4.120 0.000 0.000 0.286 142 V C -0.008 176.171 176.094 0.142 0.000 1.015 142 V CA -0.688 61.690 62.300 0.130 0.000 0.834 142 V CB 1.211 33.073 31.823 0.065 0.000 1.009 142 V HN 0.879 nan 8.190 nan 0.000 0.428 143 S N 3.885 119.638 115.700 0.089 0.000 3.783 143 S HA -0.177 4.293 4.470 0.000 0.000 0.360 143 S C 1.499 176.135 174.600 0.061 0.000 1.006 143 S CA 1.446 59.686 58.200 0.066 0.000 1.115 143 S CB -1.285 61.951 63.200 0.061 0.000 0.893 143 S HN 2.192 nan 8.310 nan 0.000 0.475 144 G N -0.072 108.760 108.800 0.053 0.000 2.320 144 G HA2 -0.328 3.632 3.960 0.000 0.000 0.242 144 G HA3 -0.328 3.632 3.960 0.000 0.000 0.242 144 G C -0.007 174.897 174.900 0.008 0.000 1.033 144 G CA 0.660 45.778 45.100 0.029 0.000 0.620 144 G HN 0.630 nan 8.290 nan 0.000 0.517 145 K N 1.115 121.526 120.400 0.019 0.000 2.185 145 K HA 0.482 4.802 4.320 0.000 0.000 0.271 145 K C 0.102 176.583 176.600 -0.198 0.000 1.013 145 K CA -0.239 55.984 56.287 -0.107 0.000 0.943 145 K CB 1.254 33.692 32.500 -0.104 0.000 0.998 145 K HN 0.224 nan 8.250 nan 0.000 0.468 146 K N 2.241 122.418 120.400 -0.373 0.000 2.164 146 K HA 0.387 4.707 4.320 0.000 0.000 0.258 146 K C -0.952 175.314 176.600 -0.557 0.000 0.951 146 K CA -0.626 55.493 56.287 -0.280 0.000 0.844 146 K CB 1.098 33.524 32.500 -0.124 0.000 1.099 146 K HN 0.421 nan 8.250 nan 0.000 0.435 147 Y N -0.641 119.692 120.300 0.056 0.000 2.524 147 Y HA 0.392 4.942 4.550 0.000 0.000 0.347 147 Y C 0.264 176.225 175.900 0.101 0.000 1.005 147 Y CA -0.779 57.385 58.100 0.105 0.000 1.025 147 Y CB 2.625 41.160 38.460 0.124 0.000 1.275 147 Y HN 0.520 nan 8.280 nan 0.000 0.460 148 T N 0.723 115.448 114.554 0.285 0.000 2.816 148 T HA 0.914 5.265 4.350 0.000 0.000 0.299 148 T C -1.849 172.995 174.700 0.239 0.000 1.230 148 T CA -0.278 61.948 62.100 0.211 0.000 1.007 148 T CB 1.459 70.406 68.868 0.133 0.000 1.289 148 T HN 1.130 nan 8.240 nan 0.000 0.508 149 A N 2.226 125.168 122.820 0.204 0.000 2.590 149 A HA 0.707 5.027 4.320 0.000 0.000 0.294 149 A C -2.524 175.153 177.584 0.155 0.000 1.046 149 A CA -0.954 51.216 52.037 0.223 0.000 0.684 149 A CB 0.842 20.031 19.000 0.314 0.000 1.279 149 A HN 0.546 nan 8.150 nan 0.000 0.415 150 P HA -0.021 nan 4.420 nan 0.000 0.223 150 P C -0.108 177.037 177.300 -0.259 0.000 1.151 150 P CA 1.338 64.356 63.100 -0.136 0.000 0.787 150 P CB -0.021 31.535 31.700 -0.239 0.000 0.788 151 H N -0.393 118.892 119.070 0.358 0.000 2.744 151 H HA 0.464 5.020 4.556 0.000 0.000 0.339 151 H C -0.210 175.437 175.328 0.532 0.000 1.004 151 H CA -0.667 55.706 56.048 0.541 0.000 1.257 151 H CB 1.711 31.825 29.762 0.587 0.000 1.552 151 H HN -0.012 nan 8.280 nan 0.000 0.522 152 I N 3.884 124.770 120.570 0.527 0.000 2.498 152 I HA 0.156 4.326 4.170 0.000 0.000 0.290 152 I C -0.715 175.612 176.117 0.350 0.000 1.032 152 I CA -0.892 60.597 61.300 0.315 0.000 1.073 152 I CB 2.525 40.679 38.000 0.258 0.000 1.251 152 I HN 0.200 nan 8.210 nan 0.000 0.426 153 L N 8.012 129.326 121.223 0.151 0.000 2.322 153 L HA 0.618 4.958 4.340 0.000 0.000 0.281 153 L C -0.934 175.988 176.870 0.087 0.000 1.014 153 L CA -0.078 54.870 54.840 0.179 0.000 0.815 153 L CB 1.350 43.449 42.059 0.066 0.000 1.247 153 L HN 0.397 nan 8.230 nan 0.000 0.421 154 I N 5.640 126.296 120.570 0.143 0.000 2.312 154 I HA 0.577 4.747 4.170 0.000 0.000 0.290 154 I C 0.173 176.339 176.117 0.082 0.000 1.008 154 I CA -0.257 61.106 61.300 0.105 0.000 1.226 154 I CB 1.555 39.653 38.000 0.163 0.000 1.371 154 I HN 0.809 nan 8.210 nan 0.000 0.468 155 A N 3.461 126.302 122.820 0.035 0.000 3.365 155 A HA 0.273 4.593 4.320 0.000 0.000 0.258 155 A C 0.782 178.374 177.584 0.014 0.000 0.964 155 A CA -0.363 51.694 52.037 0.034 0.000 0.988 155 A CB -0.310 18.701 19.000 0.020 0.000 1.193 155 A HN 0.732 nan 8.150 nan 0.000 0.508 156 T N -2.729 111.840 114.554 0.025 0.000 3.148 156 T HA 0.425 4.776 4.350 0.000 0.000 0.253 156 T C 1.407 176.127 174.700 0.034 0.000 1.134 156 T CA 1.020 63.131 62.100 0.018 0.000 1.051 156 T CB -0.280 68.599 68.868 0.018 0.000 0.959 156 T HN 2.009 nan 8.240 nan 0.000 0.525 157 G N 0.682 109.509 108.800 0.046 0.000 2.574 157 G HA2 0.191 4.151 3.960 0.000 0.000 0.282 157 G HA3 0.191 4.151 3.960 0.000 0.000 0.282 157 G C 0.147 175.088 174.900 0.067 0.000 1.257 157 G CA -0.174 44.958 45.100 0.054 0.000 0.956 157 G HN 1.339 nan 8.290 nan 0.000 0.560 158 G N -2.530 106.307 108.800 0.061 0.000 2.870 158 G HA2 0.878 4.838 3.960 0.000 0.000 0.299 158 G HA3 0.878 4.838 3.960 0.000 0.000 0.299 158 G C -0.732 174.194 174.900 0.042 0.000 1.324 158 G CA -0.080 45.057 45.100 0.062 0.000 0.808 158 G HN 1.385 nan 8.290 nan 0.000 0.535 159 M N -0.849 118.773 119.600 0.038 0.000 2.683 159 M HA 0.484 4.965 4.480 0.000 0.000 0.274 159 M C -3.038 173.279 176.300 0.028 0.000 1.272 159 M CA -1.791 53.525 55.300 0.027 0.000 0.833 159 M CB 2.250 34.856 32.600 0.011 0.000 1.708 159 M HN 0.157 nan 8.290 nan 0.000 0.463 160 P HA 0.138 nan 4.420 nan 0.000 0.271 160 P C -0.810 176.491 177.300 0.003 0.000 1.216 160 P CA -0.209 62.908 63.100 0.028 0.000 0.776 160 P CB 0.881 32.609 31.700 0.046 0.000 0.881 161 S N 2.040 117.737 115.700 -0.005 0.000 2.554 161 S HA 0.605 5.076 4.470 0.000 0.000 0.278 161 S C -0.348 174.191 174.600 -0.102 0.000 1.242 161 S CA -0.214 57.958 58.200 -0.047 0.000 1.051 161 S CB -0.248 62.933 63.200 -0.031 0.000 0.986 161 S HN 0.538 nan 8.310 nan 0.000 0.502 162 T N 2.484 116.920 114.554 -0.198 0.000 2.900 162 T HA 0.686 5.036 4.350 0.000 0.000 0.295 162 T C -3.121 171.297 174.700 -0.470 0.000 1.044 162 T CA -1.690 60.183 62.100 -0.379 0.000 0.995 162 T CB 0.984 69.670 68.868 -0.304 0.000 1.072 162 T HN 0.453 nan 8.240 nan 0.000 0.473 163 P HA 0.244 nan 4.420 nan 0.000 0.272 163 P C -0.274 176.810 177.300 -0.359 0.000 1.223 163 P CA -0.425 62.373 63.100 -0.503 0.000 0.784 163 P CB 0.279 31.546 31.700 -0.721 0.000 0.923 164 H N 1.028 119.979 119.070 -0.198 0.000 2.582 164 H HA 0.034 4.590 4.556 0.000 0.000 0.345 164 H C 1.000 176.270 175.328 -0.096 0.000 1.104 164 H CA 0.037 56.012 56.048 -0.122 0.000 1.390 164 H CB 1.308 31.018 29.762 -0.086 0.000 1.461 164 H HN 0.537 nan 8.280 nan 0.000 0.551 165 E N 1.456 121.673 120.200 0.029 0.000 2.209 165 E HA -0.184 4.166 4.350 0.000 0.000 0.196 165 E C 1.994 178.619 176.600 0.041 0.000 0.993 165 E CA 1.580 57.995 56.400 0.026 0.000 0.819 165 E CB 0.161 29.876 29.700 0.025 0.000 0.745 165 E HN 0.651 nan 8.360 nan 0.000 0.477 166 S N -0.219 115.518 115.700 0.062 0.000 2.399 166 S HA -0.294 4.177 4.470 0.000 0.000 0.231 166 S C 2.067 176.678 174.600 0.019 0.000 1.022 166 S CA 1.328 59.547 58.200 0.031 0.000 0.983 166 S CB -0.345 62.861 63.200 0.009 0.000 0.803 166 S HN 0.492 nan 8.310 nan 0.000 0.480 167 Q N 0.716 120.532 119.800 0.025 0.000 2.226 167 Q HA 0.319 4.659 4.340 0.000 0.000 0.199 167 Q C 0.353 176.361 176.000 0.014 0.000 0.945 167 Q CA 0.593 56.401 55.803 0.009 0.000 0.861 167 Q CB -0.000 28.737 28.738 -0.001 0.000 0.953 167 Q HN 0.623 nan 8.270 nan 0.000 0.490 168 I N 2.487 123.063 120.570 0.011 0.000 2.493 168 I HA 0.409 4.579 4.170 0.000 0.000 0.279 168 I C -2.508 173.641 176.117 0.055 0.000 1.045 168 I CA -2.889 58.434 61.300 0.039 0.000 1.106 168 I CB 2.076 40.100 38.000 0.039 0.000 1.216 168 I HN 0.016 nan 8.210 nan 0.000 0.459 169 P HA 0.138 nan 4.420 nan 0.000 0.267 169 P C 0.882 178.229 177.300 0.080 0.000 1.205 169 P CA 0.554 63.688 63.100 0.056 0.000 0.765 169 P CB 0.730 32.456 31.700 0.044 0.000 0.828 170 G N 2.751 111.596 108.800 0.075 0.000 2.157 170 G HA2 -0.294 3.666 3.960 0.000 0.000 0.248 170 G HA3 -0.294 3.666 3.960 0.000 0.000 0.248 170 G C 1.139 176.133 174.900 0.157 0.000 0.979 170 G CA 0.327 45.483 45.100 0.093 0.000 0.650 170 G HN 0.643 nan 8.290 nan 0.000 0.529 171 A N 0.923 123.844 122.820 0.169 0.000 1.908 171 A HA 0.118 4.438 4.320 0.000 0.000 0.218 171 A C 2.685 180.437 177.584 0.280 0.000 1.181 171 A CA 2.733 54.932 52.037 0.270 0.000 0.627 171 A CB -0.853 18.128 19.000 -0.031 0.000 0.818 171 A HN 1.823 nan 8.150 nan 0.000 0.445 172 S N -0.374 115.398 115.700 0.121 0.000 2.584 172 S HA 0.017 4.487 4.470 0.000 0.000 0.240 172 S C 1.465 176.137 174.600 0.121 0.000 0.975 172 S CA 1.143 59.400 58.200 0.095 0.000 0.949 172 S CB -0.582 62.641 63.200 0.037 0.000 0.761 172 S HN 0.469 nan 8.310 nan 0.000 0.536 173 L N 0.785 122.094 121.223 0.144 0.000 2.492 173 L HA 0.267 4.607 4.340 0.000 0.000 0.223 173 L C 1.591 178.513 176.870 0.087 0.000 1.132 173 L CA 0.182 55.078 54.840 0.092 0.000 0.850 173 L CB -0.588 41.511 42.059 0.066 0.000 0.966 173 L HN 0.472 nan 8.230 nan 0.000 0.454 174 G N 0.250 109.161 108.800 0.184 0.000 2.502 174 G HA2 0.573 4.533 3.960 0.000 0.000 0.305 174 G HA3 0.573 4.533 3.960 0.000 0.000 0.305 174 G C -0.463 174.533 174.900 0.159 0.000 1.190 174 G CA -0.509 44.628 45.100 0.062 0.000 0.933 174 G HN 0.107 nan 8.290 nan 0.000 0.503 175 I N -1.974 118.637 120.570 0.069 0.000 3.100 175 I HA 0.857 5.027 4.170 0.000 0.000 0.312 175 I C 0.431 176.643 176.117 0.159 0.000 1.063 175 I CA -0.943 60.426 61.300 0.115 0.000 1.031 175 I CB 2.320 40.356 38.000 0.061 0.000 1.243 175 I HN 0.616 nan 8.210 nan 0.000 0.483 176 T N -1.437 113.203 114.554 0.144 0.000 2.844 176 T HA 0.313 4.663 4.350 0.000 0.000 0.274 176 T C 1.073 175.829 174.700 0.094 0.000 0.991 176 T CA -0.003 62.176 62.100 0.133 0.000 0.983 176 T CB 1.082 70.021 68.868 0.119 0.000 1.310 176 T HN 0.810 nan 8.240 nan 0.000 0.596 177 S N 0.006 115.742 115.700 0.060 0.000 2.419 177 S HA -0.150 4.320 4.470 0.000 0.000 0.233 177 S C 1.277 175.967 174.600 0.149 0.000 1.016 177 S CA 1.341 59.553 58.200 0.021 0.000 0.974 177 S CB -0.885 62.322 63.200 0.012 0.000 0.786 177 S HN 0.707 nan 8.310 nan 0.000 0.492 178 D N 2.311 122.824 120.400 0.187 0.000 2.097 178 D HA 0.022 4.663 4.640 0.000 0.000 0.195 178 D C 2.241 178.676 176.300 0.225 0.000 0.989 178 D CA 1.487 55.634 54.000 0.245 0.000 0.827 178 D CB -1.099 39.789 40.800 0.147 0.000 0.966 178 D HN 0.541 nan 8.370 nan 0.000 0.456 179 G N -0.056 108.836 108.800 0.152 0.000 2.432 179 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 179 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 179 G C 1.499 176.464 174.900 0.109 0.000 1.135 179 G CA 0.318 45.488 45.100 0.118 0.000 0.767 179 G HN 0.282 nan 8.290 nan 0.000 0.550 180 F N 0.890 120.792 119.950 -0.080 0.000 2.154 180 F HA -0.042 4.485 4.527 0.000 0.000 0.301 180 F C 1.764 177.481 175.800 -0.137 0.000 1.087 180 F CA 1.158 59.050 58.000 -0.180 0.000 1.274 180 F CB -0.080 38.682 39.000 -0.397 0.000 1.009 180 F HN 0.107 nan 8.300 nan 0.000 0.485 181 F N 0.270 120.352 119.950 0.221 0.000 2.811 181 F HA 0.069 4.596 4.527 0.000 0.000 0.301 181 F C 1.987 177.830 175.800 0.071 0.000 1.151 181 F CA 0.493 58.564 58.000 0.120 0.000 1.412 181 F CB -0.581 38.527 39.000 0.181 0.000 1.113 181 F HN 0.138 nan 8.300 nan 0.000 0.579 182 Q N -0.354 119.550 119.800 0.174 0.000 2.317 182 Q HA 0.195 4.535 4.340 0.000 0.000 0.220 182 Q C 0.563 176.610 176.000 0.079 0.000 0.873 182 Q CA -0.044 55.834 55.803 0.125 0.000 0.936 182 Q CB 0.649 29.445 28.738 0.097 0.000 1.105 182 Q HN 0.309 nan 8.270 nan 0.000 0.520 183 L N 2.202 123.443 121.223 0.030 0.000 2.540 183 L HA -0.064 4.276 4.340 0.000 0.000 0.276 183 L C 1.211 178.128 176.870 0.079 0.000 1.212 183 L CA 0.603 55.409 54.840 -0.057 0.000 0.893 183 L CB 0.290 42.196 42.059 -0.254 0.000 1.138 183 L HN 0.181 nan 8.230 nan 0.000 0.491 184 E N 2.208 122.378 120.200 -0.051 0.000 2.460 184 E HA 0.104 4.454 4.350 0.000 0.000 0.200 184 E C -0.288 176.239 176.600 -0.122 0.000 1.011 184 E CA 0.217 56.640 56.400 0.039 0.000 0.912 184 E CB 0.800 30.509 29.700 0.014 0.000 0.953 184 E HN 0.628 nan 8.360 nan 0.000 0.494 185 E N 0.871 120.761 120.200 -0.516 0.000 2.383 185 E HA 0.269 4.619 4.350 0.000 0.000 0.275 185 E C -0.955 174.985 176.600 -1.100 0.000 0.918 185 E CA -1.009 55.018 56.400 -0.622 0.000 0.764 185 E CB 2.186 31.704 29.700 -0.304 0.000 1.252 185 E HN -0.094 nan 8.360 nan 0.000 0.449 186 L N 2.805 123.530 121.223 -0.831 0.000 2.418 186 L HA 0.258 4.598 4.340 0.000 0.000 0.274 186 L C -2.399 174.229 176.870 -0.403 0.000 1.135 186 L CA -1.024 53.389 54.840 -0.711 0.000 0.870 186 L CB 0.027 42.055 42.059 -0.052 0.000 1.154 186 L HN 0.222 nan 8.230 nan 0.000 0.462 187 P HA 0.184 nan 4.420 nan 0.000 0.267 187 P C 0.642 177.869 177.300 -0.122 0.000 1.205 187 P CA -0.064 62.905 63.100 -0.218 0.000 0.765 187 P CB 1.045 32.633 31.700 -0.186 0.000 0.828 188 G N 2.712 111.456 108.800 -0.093 0.000 2.402 188 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 188 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 188 G C 0.547 175.422 174.900 -0.041 0.000 1.162 188 G CA 0.587 45.654 45.100 -0.054 0.000 0.777 188 G HN 0.489 nan 8.290 nan 0.000 0.539 189 R N 0.094 120.563 120.500 -0.052 0.000 2.532 189 R HA 0.521 4.861 4.340 0.000 0.000 0.297 189 R C -1.300 174.966 176.300 -0.056 0.000 0.984 189 R CA -0.259 55.814 56.100 -0.045 0.000 0.884 189 R CB 1.671 31.945 30.300 -0.043 0.000 1.182 189 R HN 0.136 nan 8.270 nan 0.000 0.442 190 S N 1.826 117.497 115.700 -0.048 0.000 2.548 190 S HA 0.715 5.185 4.470 0.000 0.000 0.286 190 S C -1.114 173.445 174.600 -0.067 0.000 1.098 190 S CA -0.885 57.280 58.200 -0.058 0.000 0.930 190 S CB 2.107 65.287 63.200 -0.034 0.000 1.070 190 S HN 0.262 nan 8.310 nan 0.000 0.480 191 V N 2.508 122.360 119.914 -0.103 0.000 2.531 191 V HA 0.513 4.634 4.120 0.000 0.000 0.301 191 V C -0.942 175.058 176.094 -0.158 0.000 1.034 191 V CA -0.538 61.689 62.300 -0.122 0.000 0.865 191 V CB 1.273 33.008 31.823 -0.146 0.000 0.995 191 V HN 0.878 nan 8.190 nan 0.000 0.424 192 I N 4.876 125.372 120.570 -0.124 0.000 2.404 192 I HA 0.519 4.689 4.170 0.000 0.000 0.293 192 I C -0.385 175.663 176.117 -0.114 0.000 0.992 192 I CA -0.557 60.667 61.300 -0.127 0.000 1.149 192 I CB 2.087 40.034 38.000 -0.087 0.000 1.315 192 I HN 0.289 nan 8.210 nan 0.000 0.446 193 V N 5.258 125.105 119.914 -0.112 0.000 2.384 193 V HA 0.959 5.079 4.120 0.000 0.000 0.287 193 V C 0.308 176.434 176.094 0.052 0.000 1.020 193 V CA -0.363 61.923 62.300 -0.024 0.000 0.850 193 V CB 0.772 32.595 31.823 -0.000 0.000 0.987 193 V HN 1.036 nan 8.190 nan 0.000 0.436 194 G N 3.585 112.405 108.800 0.034 0.000 2.317 194 G HA2 0.513 4.474 3.960 0.000 0.000 0.445 194 G HA3 0.513 4.474 3.960 0.000 0.000 0.445 194 G C -0.395 174.504 174.900 -0.002 0.000 1.486 194 G CA 0.025 45.145 45.100 0.033 0.000 0.991 194 G HN 1.251 nan 8.290 nan 0.000 0.660 195 A N -0.286 122.535 122.820 0.001 0.000 2.609 195 A HA 0.781 5.101 4.320 0.000 0.000 0.286 195 A C 1.098 178.666 177.584 -0.027 0.000 1.138 195 A CA 1.233 53.259 52.037 -0.019 0.000 0.960 195 A CB 0.007 19.002 19.000 -0.009 0.000 1.208 195 A HN 2.072 nan 8.150 nan 0.000 0.541 196 G N -1.476 107.313 108.800 -0.018 0.000 2.537 196 G HA2 0.361 4.321 3.960 0.000 0.000 0.297 196 G HA3 0.361 4.321 3.960 0.000 0.000 0.297 196 G C 0.669 175.556 174.900 -0.022 0.000 1.310 196 G CA 0.064 45.169 45.100 0.008 0.000 1.027 196 G HN 0.612 nan 8.290 nan 0.000 0.505 197 Y N -0.940 119.334 120.300 -0.043 0.000 2.224 197 Y HA -0.077 4.473 4.550 0.000 0.000 0.289 197 Y C 2.266 178.148 175.900 -0.030 0.000 1.146 197 Y CA 1.453 59.516 58.100 -0.061 0.000 1.182 197 Y CB -0.384 38.077 38.460 0.002 0.000 0.983 197 Y HN 0.223 nan 8.280 nan 0.000 0.524 198 I N 1.063 121.172 120.570 -0.768 0.000 2.226 198 I HA -0.271 3.899 4.170 0.000 0.000 0.245 198 I C 2.858 178.812 176.117 -0.272 0.000 1.100 198 I CA 1.244 62.192 61.300 -0.588 0.000 1.374 198 I CB -0.712 36.947 38.000 -0.568 0.000 1.057 198 I HN 0.450 nan 8.210 nan 0.000 0.413 199 A N 0.466 123.168 122.820 -0.197 0.000 1.877 199 A HA -0.165 4.155 4.320 0.000 0.000 0.216 199 A C 2.435 179.962 177.584 -0.095 0.000 1.186 199 A CA 1.843 53.805 52.037 -0.125 0.000 0.620 199 A CB -1.035 17.917 19.000 -0.080 0.000 0.822 199 A HN 0.227 nan 8.150 nan 0.000 0.443 200 V N 0.203 120.072 119.914 -0.074 0.000 2.287 200 V HA -0.299 3.821 4.120 0.000 0.000 0.248 200 V C 2.456 178.549 176.094 -0.002 0.000 1.053 200 V CA 2.406 64.684 62.300 -0.037 0.000 1.027 200 V CB -0.893 30.902 31.823 -0.047 0.000 0.646 200 V HN 0.644 nan 8.190 nan 0.000 0.447 201 E N -0.589 119.608 120.200 -0.004 0.000 2.051 201 E HA -0.205 4.145 4.350 0.000 0.000 0.192 201 E C 2.339 178.940 176.600 0.001 0.000 0.991 201 E CA 1.403 57.829 56.400 0.044 0.000 0.799 201 E CB -0.200 29.542 29.700 0.069 0.000 0.748 201 E HN 0.436 nan 8.360 nan 0.000 0.449 202 M N 0.445 119.962 119.600 -0.138 0.000 2.086 202 M HA -0.138 4.342 4.480 0.000 0.000 0.261 202 M C 2.573 178.830 176.300 -0.073 0.000 1.067 202 M CA 1.354 56.498 55.300 -0.261 0.000 1.116 202 M CB -1.040 31.327 32.600 -0.388 0.000 1.348 202 M HN 0.109 nan 8.290 nan 0.000 0.407 203 A N 0.615 123.413 122.820 -0.037 0.000 1.908 203 A HA -0.058 4.262 4.320 0.000 0.000 0.218 203 A C 2.466 180.091 177.584 0.068 0.000 1.181 203 A CA 2.146 54.190 52.037 0.011 0.000 0.627 203 A CB -1.522 17.476 19.000 -0.004 0.000 0.818 203 A HN 0.543 nan 8.150 nan 0.000 0.445 204 G N -0.150 108.724 108.800 0.122 0.000 2.418 204 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 204 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 204 G C 1.535 176.566 174.900 0.218 0.000 1.158 204 G CA 1.155 46.400 45.100 0.242 0.000 0.771 204 G HN 0.481 nan 8.290 nan 0.000 0.545 205 I N 0.183 120.900 120.570 0.245 0.000 2.202 205 I HA -0.089 4.081 4.170 0.000 0.000 0.242 205 I C 2.738 178.952 176.117 0.162 0.000 1.091 205 I CA 0.599 62.029 61.300 0.216 0.000 1.368 205 I CB -0.190 37.971 38.000 0.269 0.000 1.058 205 I HN 0.113 nan 8.210 nan 0.000 0.410 206 L N -0.340 121.006 121.223 0.205 0.000 2.017 206 L HA -0.250 4.090 4.340 0.000 0.000 0.208 206 L C 2.751 179.686 176.870 0.109 0.000 1.073 206 L CA 1.541 56.509 54.840 0.214 0.000 0.745 206 L CB -0.569 41.608 42.059 0.196 0.000 0.894 206 L HN 0.248 nan 8.230 nan 0.000 0.432 207 S N -0.477 115.261 115.700 0.063 0.000 2.356 207 S HA -0.190 4.281 4.470 0.000 0.000 0.223 207 S C 2.102 176.698 174.600 -0.007 0.000 1.032 207 S CA 1.293 59.508 58.200 0.025 0.000 1.005 207 S CB -0.129 63.080 63.200 0.015 0.000 0.867 207 S HN 0.445 nan 8.310 nan 0.000 0.449 208 A N 1.021 123.802 122.820 -0.065 0.000 1.972 208 A HA 0.118 4.438 4.320 0.000 0.000 0.219 208 A C 2.019 179.528 177.584 -0.126 0.000 1.169 208 A CA 1.118 53.067 52.037 -0.146 0.000 0.635 208 A CB -0.589 18.200 19.000 -0.352 0.000 0.810 208 A HN 0.589 nan 8.150 nan 0.000 0.446 209 L N -1.681 119.482 121.223 -0.100 0.000 2.599 209 L HA 0.175 4.515 4.340 0.000 0.000 0.230 209 L C 1.665 178.563 176.870 0.048 0.000 1.141 209 L CA 0.634 55.393 54.840 -0.134 0.000 0.877 209 L CB -0.070 41.905 42.059 -0.141 0.000 1.009 209 L HN 0.604 nan 8.230 nan 0.000 0.447 210 G N -0.988 107.848 108.800 0.060 0.000 2.205 210 G HA2 -0.228 3.732 3.960 0.000 0.000 0.180 210 G HA3 -0.228 3.732 3.960 0.000 0.000 0.180 210 G C 0.316 175.256 174.900 0.067 0.000 1.004 210 G CA 0.097 45.247 45.100 0.082 0.000 0.670 210 G HN 0.218 nan 8.290 nan 0.000 0.496 211 S N 0.212 115.951 115.700 0.066 0.000 2.545 211 S HA 0.511 4.981 4.470 0.000 0.000 0.275 211 S C 0.523 175.135 174.600 0.020 0.000 1.299 211 S CA -0.027 58.194 58.200 0.036 0.000 1.048 211 S CB 0.938 64.161 63.200 0.038 0.000 0.938 211 S HN 0.540 nan 8.310 nan 0.000 0.496 212 K N 3.681 124.084 120.400 0.004 0.000 2.294 212 K HA 0.171 4.491 4.320 0.000 0.000 0.288 212 K C -0.623 175.972 176.600 -0.008 0.000 1.072 212 K CA 0.200 56.485 56.287 -0.003 0.000 0.960 212 K CB -0.249 32.245 32.500 -0.010 0.000 1.043 212 K HN 0.513 nan 8.250 nan 0.000 0.455 213 T N 2.640 117.192 114.554 -0.004 0.000 2.824 213 T HA 0.387 4.737 4.350 0.000 0.000 0.280 213 T C -0.768 173.922 174.700 -0.016 0.000 0.995 213 T CA -0.753 61.342 62.100 -0.008 0.000 1.009 213 T CB 1.589 70.461 68.868 0.006 0.000 0.955 213 T HN 0.427 nan 8.240 nan 0.000 0.452 214 S N 1.927 117.610 115.700 -0.028 0.000 2.521 214 S HA 0.650 5.120 4.470 0.000 0.000 0.295 214 S C -1.282 173.293 174.600 -0.042 0.000 1.098 214 S CA -0.698 57.482 58.200 -0.032 0.000 0.999 214 S CB 1.409 64.586 63.200 -0.038 0.000 1.034 214 S HN 0.570 nan 8.310 nan 0.000 0.483 215 L N 3.600 124.801 121.223 -0.037 0.000 2.319 215 L HA 0.605 4.945 4.340 0.000 0.000 0.281 215 L C -0.743 176.103 176.870 -0.041 0.000 1.005 215 L CA -0.278 54.536 54.840 -0.042 0.000 0.828 215 L CB 1.153 43.191 42.059 -0.035 0.000 1.227 215 L HN 0.771 nan 8.230 nan 0.000 0.415 216 M N 7.174 126.747 119.600 -0.045 0.000 2.080 216 M HA 0.500 4.980 4.480 0.000 0.000 0.350 216 M C -0.919 175.366 176.300 -0.026 0.000 1.173 216 M CA -0.481 54.798 55.300 -0.034 0.000 1.052 216 M CB 0.527 33.106 32.600 -0.035 0.000 1.577 216 M HN 0.684 nan 8.290 nan 0.000 0.455 217 I N 1.595 122.140 120.570 -0.042 0.000 2.646 217 I HA 0.484 4.654 4.170 0.000 0.000 0.299 217 I C 0.378 176.439 176.117 -0.092 0.000 1.036 217 I CA -0.993 60.277 61.300 -0.050 0.000 1.074 217 I CB 2.009 39.968 38.000 -0.067 0.000 1.258 217 I HN 0.711 nan 8.210 nan 0.000 0.430 218 R N 1.926 122.379 120.500 -0.079 0.000 2.189 218 R HA 0.060 4.400 4.340 0.000 0.000 0.223 218 R C 0.515 176.512 176.300 -0.505 0.000 1.092 218 R CA 0.995 56.976 56.100 -0.198 0.000 0.989 218 R CB -0.263 29.945 30.300 -0.153 0.000 0.876 218 R HN 0.708 nan 8.270 nan 0.000 0.457 219 H N -0.748 118.110 119.070 -0.352 0.000 3.878 219 H HA 0.081 4.637 4.556 0.000 0.000 0.332 219 H C 0.496 175.173 175.328 -1.084 0.000 1.613 219 H CA -0.276 55.319 56.048 -0.754 0.000 1.413 219 H CB 0.415 29.980 29.762 -0.329 0.000 1.066 219 H HN 0.046 nan 8.280 nan 0.000 0.797 220 D N 0.107 120.126 120.400 -0.635 0.000 2.389 220 D HA 0.117 4.757 4.640 0.000 0.000 0.206 220 D C 0.046 176.252 176.300 -0.158 0.000 1.055 220 D CA 0.349 54.112 54.000 -0.394 0.000 0.856 220 D CB 1.093 41.820 40.800 -0.121 0.000 0.957 220 D HN 0.154 nan 8.370 nan 0.000 0.509 221 K N 0.086 120.414 120.400 -0.121 0.000 2.512 221 K HA 0.487 4.807 4.320 0.000 0.000 0.263 221 K C -0.628 175.926 176.600 -0.077 0.000 0.966 221 K CA -1.081 55.158 56.287 -0.080 0.000 0.851 221 K CB 3.318 35.783 32.500 -0.059 0.000 1.395 221 K HN -0.070 nan 8.250 nan 0.000 0.440 222 V N -0.873 118.994 119.914 -0.078 0.000 3.134 222 V HA 0.438 4.558 4.120 0.000 0.000 0.313 222 V C 0.458 176.480 176.094 -0.120 0.000 1.069 222 V CA -0.912 61.335 62.300 -0.088 0.000 1.048 222 V CB 0.373 32.139 31.823 -0.096 0.000 1.119 222 V HN 0.818 nan 8.190 nan 0.000 0.461 223 L N -0.260 120.876 121.223 -0.145 0.000 3.762 223 L HA -0.206 4.134 4.340 0.000 0.000 0.460 223 L C 1.791 178.640 176.870 -0.035 0.000 1.255 223 L CA 0.562 55.272 54.840 -0.217 0.000 0.783 223 L CB -1.291 40.366 42.059 -0.669 0.000 1.600 223 L HN 0.819 nan 8.230 nan 0.000 0.862 224 R N 0.238 120.738 120.500 -0.000 0.000 2.285 224 R HA -0.097 4.243 4.340 0.000 0.000 0.213 224 R C 2.083 178.420 176.300 0.063 0.000 1.068 224 R CA 1.348 57.449 56.100 0.001 0.000 1.004 224 R CB -0.081 30.174 30.300 -0.075 0.000 0.873 224 R HN 0.751 nan 8.270 nan 0.000 0.467 225 S N -0.563 115.240 115.700 0.172 0.000 2.593 225 S HA 0.091 4.561 4.470 0.000 0.000 0.217 225 S C 0.409 175.111 174.600 0.170 0.000 0.966 225 S CA -0.263 58.027 58.200 0.150 0.000 0.914 225 S CB 0.016 63.298 63.200 0.138 0.000 0.776 225 S HN -0.050 nan 8.310 nan 0.000 0.523 226 F N 2.516 122.429 119.950 -0.060 0.000 2.364 226 F HA 0.427 4.954 4.527 0.000 0.000 0.316 226 F C 0.913 176.623 175.800 -0.150 0.000 1.133 226 F CA -2.169 55.779 58.000 -0.087 0.000 1.051 226 F CB 0.098 39.060 39.000 -0.064 0.000 1.342 226 F HN 0.056 nan 8.300 nan 0.000 0.507 227 D N 0.236 120.574 120.400 -0.103 0.000 2.455 227 D HA -0.056 4.584 4.640 0.000 0.000 0.241 227 D C 1.192 177.443 176.300 -0.082 0.000 1.138 227 D CA 0.473 54.326 54.000 -0.244 0.000 0.877 227 D CB 1.161 41.577 40.800 -0.640 0.000 1.187 227 D HN 0.631 nan 8.370 nan 0.000 0.451 228 S N 3.944 119.605 115.700 -0.065 0.000 2.407 228 S HA -0.301 4.169 4.470 0.000 0.000 0.235 228 S C 2.066 176.653 174.600 -0.022 0.000 1.036 228 S CA 1.313 59.495 58.200 -0.031 0.000 1.013 228 S CB -0.352 62.832 63.200 -0.026 0.000 0.820 228 S HN 0.742 nan 8.310 nan 0.000 0.476 229 M N 0.410 119.995 119.600 -0.025 0.000 2.159 229 M HA -0.043 4.438 4.480 0.000 0.000 0.263 229 M C 1.591 177.892 176.300 0.003 0.000 1.063 229 M CA 1.541 56.839 55.300 -0.003 0.000 1.110 229 M CB -0.224 32.383 32.600 0.012 0.000 1.374 229 M HN 0.290 nan 8.290 nan 0.000 0.411 230 I N 0.441 121.016 120.570 0.007 0.000 2.233 230 I HA -0.187 3.983 4.170 0.000 0.000 0.243 230 I C 2.694 178.797 176.117 -0.022 0.000 1.093 230 I CA 1.639 62.950 61.300 0.019 0.000 1.380 230 I CB -1.677 36.377 38.000 0.089 0.000 1.067 230 I HN 0.416 nan 8.210 nan 0.000 0.413 231 S N -0.002 115.684 115.700 -0.023 0.000 2.382 231 S HA -0.168 4.302 4.470 0.000 0.000 0.228 231 S C 2.008 176.581 174.600 -0.045 0.000 1.027 231 S CA 1.820 59.987 58.200 -0.056 0.000 0.991 231 S CB -1.121 62.057 63.200 -0.038 0.000 0.823 231 S HN 0.405 nan 8.310 nan 0.000 0.469 232 T N 2.470 117.009 114.554 -0.025 0.000 2.737 232 T HA -0.052 4.298 4.350 0.000 0.000 0.265 232 T C 1.852 176.542 174.700 -0.017 0.000 1.038 232 T CA 1.633 63.722 62.100 -0.017 0.000 1.144 232 T CB -0.728 68.136 68.868 -0.007 0.000 0.866 232 T HN 0.591 nan 8.240 nan 0.000 0.434 233 N N 0.107 118.799 118.700 -0.014 0.000 2.120 233 N HA -0.100 4.640 4.740 0.000 0.000 0.188 233 N C 2.066 177.565 175.510 -0.018 0.000 1.024 233 N CA 1.188 54.231 53.050 -0.012 0.000 0.852 233 N CB -0.614 37.869 38.487 -0.007 0.000 1.003 233 N HN 0.391 nan 8.380 nan 0.000 0.424 234 C N -0.390 118.890 119.300 -0.033 0.000 2.425 234 C HA -0.044 4.417 4.460 0.000 0.000 0.277 234 C C 2.490 177.460 174.990 -0.034 0.000 1.280 234 C CA 1.579 60.571 59.018 -0.042 0.000 1.744 234 C CB -1.532 26.155 27.740 -0.089 0.000 1.989 234 C HN 0.522 nan 8.230 nan 0.000 0.491 235 T N 0.571 115.102 114.554 -0.039 0.000 2.746 235 T HA -0.147 4.204 4.350 0.000 0.000 0.267 235 T C 1.602 176.292 174.700 -0.017 0.000 1.039 235 T CA 1.783 63.863 62.100 -0.032 0.000 1.142 235 T CB -0.330 68.516 68.868 -0.036 0.000 0.866 235 T HN 0.694 nan 8.240 nan 0.000 0.444 236 E N 0.883 121.075 120.200 -0.013 0.000 2.047 236 E HA -0.124 4.226 4.350 0.000 0.000 0.191 236 E C 2.440 179.039 176.600 -0.003 0.000 0.987 236 E CA 0.767 57.163 56.400 -0.006 0.000 0.799 236 E CB -0.076 29.621 29.700 -0.005 0.000 0.752 236 E HN 0.437 nan 8.360 nan 0.000 0.449 237 E N 0.859 121.059 120.200 0.000 0.000 2.110 237 E HA -0.142 4.208 4.350 0.000 0.000 0.193 237 E C 2.296 178.907 176.600 0.019 0.000 0.988 237 E CA 0.544 56.951 56.400 0.011 0.000 0.804 237 E CB -0.134 29.579 29.700 0.022 0.000 0.745 237 E HN 0.300 nan 8.360 nan 0.000 0.458 238 L N 0.833 122.064 121.223 0.015 0.000 2.017 238 L HA -0.208 4.132 4.340 0.000 0.000 0.208 238 L C 2.371 179.247 176.870 0.009 0.000 1.073 238 L CA 1.350 56.201 54.840 0.019 0.000 0.745 238 L CB -0.290 41.772 42.059 0.006 0.000 0.894 238 L HN 0.113 nan 8.230 nan 0.000 0.432 239 E N -0.262 119.938 120.200 0.001 0.000 2.106 239 E HA -0.183 4.167 4.350 0.000 0.000 0.192 239 E C 1.813 178.411 176.600 -0.004 0.000 0.984 239 E CA 0.942 57.340 56.400 -0.002 0.000 0.806 239 E CB -0.094 29.604 29.700 -0.003 0.000 0.750 239 E HN 0.474 nan 8.360 nan 0.000 0.458 240 N N 0.736 119.434 118.700 -0.003 0.000 2.309 240 N HA -0.091 4.649 4.740 0.000 0.000 0.182 240 N C 1.319 176.823 175.510 -0.009 0.000 1.018 240 N CA 0.989 54.034 53.050 -0.008 0.000 0.876 240 N CB -0.051 38.430 38.487 -0.009 0.000 0.972 240 N HN 0.096 nan 8.380 nan 0.000 0.434 241 A N -0.331 122.488 122.820 -0.001 0.000 2.251 241 A HA 0.444 4.764 4.320 0.000 0.000 0.209 241 A C 1.484 179.062 177.584 -0.011 0.000 1.187 241 A CA 0.728 52.762 52.037 -0.004 0.000 0.823 241 A CB -0.238 18.767 19.000 0.009 0.000 0.846 241 A HN 0.300 nan 8.150 nan 0.000 0.486 242 G N -1.768 107.026 108.800 -0.010 0.000 2.176 242 G HA2 -0.189 3.772 3.960 0.000 0.000 0.232 242 G HA3 -0.189 3.772 3.960 0.000 0.000 0.232 242 G C 0.141 175.038 174.900 -0.006 0.000 0.986 242 G CA 0.036 45.129 45.100 -0.012 0.000 0.643 242 G HN 0.716 nan 8.290 nan 0.000 0.522 243 V N 1.392 121.304 119.914 -0.002 0.000 2.488 243 V HA 0.392 4.512 4.120 0.000 0.000 0.277 243 V C 0.784 176.875 176.094 -0.006 0.000 1.046 243 V CA -0.046 62.253 62.300 -0.001 0.000 0.986 243 V CB 1.659 33.486 31.823 0.005 0.000 0.989 243 V HN 0.428 nan 8.190 nan 0.000 0.475 244 E N 4.711 124.905 120.200 -0.009 0.000 2.070 244 E HA 0.268 4.618 4.350 0.000 0.000 0.282 244 E C -0.987 175.604 176.600 -0.014 0.000 1.104 244 E CA -0.476 55.918 56.400 -0.011 0.000 0.876 244 E CB 1.031 30.724 29.700 -0.012 0.000 1.055 244 E HN 0.525 nan 8.360 nan 0.000 0.401 245 V N 7.153 127.059 119.914 -0.013 0.000 2.368 245 V HA 0.136 4.256 4.120 0.000 0.000 0.266 245 V C 0.239 176.323 176.094 -0.016 0.000 1.045 245 V CA -0.431 61.856 62.300 -0.020 0.000 0.899 245 V CB 0.602 32.411 31.823 -0.024 0.000 1.006 245 V HN 0.651 nan 8.190 nan 0.000 0.470 246 L N 6.245 127.456 121.223 -0.020 0.000 2.282 246 L HA 0.396 4.736 4.340 0.000 0.000 0.287 246 L C 0.452 177.310 176.870 -0.020 0.000 1.075 246 L CA -0.253 54.582 54.840 -0.008 0.000 0.839 246 L CB 0.095 42.149 42.059 -0.009 0.000 1.219 246 L HN 0.548 nan 8.230 nan 0.000 0.434 247 K N 2.680 123.074 120.400 -0.010 0.000 2.154 247 K HA 0.359 4.679 4.320 0.000 0.000 0.264 247 K C 0.097 176.711 176.600 0.023 0.000 1.008 247 K CA -0.538 55.700 56.287 -0.082 0.000 0.937 247 K CB 0.436 32.889 32.500 -0.079 0.000 1.002 247 K HN 0.282 nan 8.250 nan 0.000 0.469 248 F N -0.191 119.745 119.950 -0.024 0.000 3.079 248 F HA -0.305 4.223 4.527 0.000 0.000 0.274 248 F C -0.250 175.521 175.800 -0.049 0.000 0.940 248 F CA 0.194 58.158 58.000 -0.060 0.000 0.932 248 F CB -1.685 37.290 39.000 -0.042 0.000 0.891 248 F HN 0.301 nan 8.300 nan 0.000 0.722 249 S N -0.645 115.088 115.700 0.055 0.000 2.599 249 S HA 0.856 5.326 4.470 0.000 0.000 0.294 249 S C -0.453 174.165 174.600 0.029 0.000 1.094 249 S CA -0.940 57.289 58.200 0.047 0.000 0.931 249 S CB 2.931 66.152 63.200 0.036 0.000 1.093 249 S HN 0.367 nan 8.310 nan 0.000 0.488 250 Q N -0.784 119.041 119.800 0.042 0.000 2.522 250 Q HA 0.638 4.978 4.340 0.000 0.000 0.285 250 Q C -1.751 174.295 176.000 0.076 0.000 0.982 250 Q CA -1.071 54.770 55.803 0.063 0.000 0.805 250 Q CB 1.018 29.794 28.738 0.063 0.000 1.457 250 Q HN 0.380 nan 8.270 nan 0.000 0.394 251 V N 2.498 122.487 119.914 0.124 0.000 2.572 251 V HA 0.063 4.183 4.120 0.000 0.000 0.291 251 V C 0.979 177.150 176.094 0.128 0.000 1.039 251 V CA 0.210 62.590 62.300 0.134 0.000 1.055 251 V CB 1.034 32.997 31.823 0.233 0.000 0.969 251 V HN 0.850 nan 8.190 nan 0.000 0.482 252 K N 3.046 123.500 120.400 0.090 0.000 2.287 252 K HA 0.175 4.495 4.320 0.000 0.000 0.199 252 K C 0.529 177.176 176.600 0.079 0.000 1.061 252 K CA 0.590 56.920 56.287 0.071 0.000 0.976 252 K CB 0.614 33.142 32.500 0.047 0.000 0.898 252 K HN 0.923 nan 8.250 nan 0.000 0.492 253 E N -0.461 119.789 120.200 0.084 0.000 2.389 253 E HA 0.202 4.552 4.350 0.000 0.000 0.281 253 E C -1.822 174.825 176.600 0.077 0.000 1.072 253 E CA -0.872 55.579 56.400 0.084 0.000 0.845 253 E CB 1.705 31.438 29.700 0.055 0.000 1.239 253 E HN -0.143 nan 8.360 nan 0.000 0.434 254 V N 2.121 122.087 119.914 0.087 0.000 2.656 254 V HA 0.620 4.741 4.120 0.000 0.000 0.307 254 V C -0.765 175.357 176.094 0.047 0.000 1.051 254 V CA -0.668 61.669 62.300 0.062 0.000 0.893 254 V CB 1.692 33.566 31.823 0.085 0.000 0.999 254 V HN 0.785 nan 8.190 nan 0.000 0.426 255 K N 1.923 122.337 120.400 0.024 0.000 2.502 255 K HA 0.729 5.050 4.320 0.000 0.000 0.257 255 K C -1.160 175.444 176.600 0.007 0.000 0.938 255 K CA -1.135 55.163 56.287 0.019 0.000 0.819 255 K CB 2.536 35.046 32.500 0.016 0.000 1.333 255 K HN 0.382 nan 8.250 nan 0.000 0.434 256 K N 2.160 122.564 120.400 0.007 0.000 2.316 256 K HA 0.105 4.426 4.320 0.000 0.000 0.289 256 K C -0.315 176.283 176.600 -0.003 0.000 1.070 256 K CA 0.058 56.345 56.287 -0.000 0.000 0.928 256 K CB 0.590 33.091 32.500 0.002 0.000 1.039 256 K HN 0.776 nan 8.250 nan 0.000 0.480 257 T N 0.731 115.280 114.554 -0.008 0.000 2.888 257 T HA 0.237 4.587 4.350 0.000 0.000 0.283 257 T C 1.424 176.118 174.700 -0.010 0.000 1.013 257 T CA -0.743 61.353 62.100 -0.008 0.000 0.938 257 T CB 0.313 69.175 68.868 -0.010 0.000 1.298 257 T HN 0.485 nan 8.240 nan 0.000 0.580 258 L N -0.064 121.154 121.223 -0.010 0.000 2.127 258 L HA 0.037 4.378 4.340 0.000 0.000 0.211 258 L C 0.875 177.736 176.870 -0.014 0.000 1.089 258 L CA 1.008 55.842 54.840 -0.011 0.000 0.757 258 L CB -0.221 41.833 42.059 -0.009 0.000 0.899 258 L HN 0.614 nan 8.230 nan 0.000 0.434 259 S N -0.400 115.290 115.700 -0.017 0.000 2.383 259 S HA 0.577 5.047 4.470 0.000 0.000 0.196 259 S C 0.017 174.601 174.600 -0.026 0.000 1.364 259 S CA 0.032 58.219 58.200 -0.021 0.000 1.212 259 S CB 1.274 64.461 63.200 -0.021 0.000 1.171 259 S HN 0.578 nan 8.310 nan 0.000 0.456 260 G N 2.039 110.822 108.800 -0.028 0.000 2.582 260 G HA2 -0.121 3.840 3.960 0.000 0.000 0.222 260 G HA3 -0.121 3.840 3.960 0.000 0.000 0.222 260 G C -1.164 173.718 174.900 -0.030 0.000 1.311 260 G CA -0.981 44.098 45.100 -0.035 0.000 0.915 260 G HN 0.613 nan 8.290 nan 0.000 0.528 261 L N -0.070 121.131 121.223 -0.037 0.000 2.352 261 L HA 0.763 5.104 4.340 0.000 0.000 0.269 261 L C 0.399 177.250 176.870 -0.033 0.000 1.034 261 L CA -0.744 54.076 54.840 -0.034 0.000 0.806 261 L CB 1.863 43.895 42.059 -0.045 0.000 1.244 261 L HN 0.803 nan 8.230 nan 0.000 0.447 262 E N 1.096 121.282 120.200 -0.023 0.000 2.155 262 E HA 0.450 4.800 4.350 0.000 0.000 0.264 262 E C -1.661 174.928 176.600 -0.018 0.000 0.886 262 E CA -0.601 55.787 56.400 -0.020 0.000 0.752 262 E CB 1.821 31.515 29.700 -0.011 0.000 1.133 262 E HN 0.310 nan 8.360 nan 0.000 0.414 263 V N 3.749 123.646 119.914 -0.028 0.000 2.394 263 V HA 0.308 4.428 4.120 0.000 0.000 0.282 263 V C -0.172 175.916 176.094 -0.010 0.000 1.031 263 V CA -0.646 61.638 62.300 -0.027 0.000 0.881 263 V CB 1.561 33.347 31.823 -0.062 0.000 0.982 263 V HN 0.668 nan 8.190 nan 0.000 0.451 264 S N 7.079 122.784 115.700 0.008 0.000 2.429 264 S HA 0.740 5.210 4.470 0.000 0.000 0.302 264 S C -0.225 174.389 174.600 0.023 0.000 1.115 264 S CA -0.594 57.614 58.200 0.015 0.000 1.095 264 S CB 0.783 63.996 63.200 0.022 0.000 0.987 264 S HN 0.792 nan 8.310 nan 0.000 0.474 265 M N 1.737 121.347 119.600 0.017 0.000 2.619 265 M HA 0.814 5.294 4.480 0.000 0.000 0.297 265 M C -1.602 174.712 176.300 0.024 0.000 1.229 265 M CA -0.961 54.353 55.300 0.024 0.000 0.860 265 M CB 1.610 34.219 32.600 0.015 0.000 1.741 265 M HN 0.185 nan 8.290 nan 0.000 0.462 266 V N 1.255 121.187 119.914 0.031 0.000 2.459 266 V HA 0.541 4.661 4.120 0.000 0.000 0.295 266 V C -0.440 175.676 176.094 0.037 0.000 1.029 266 V CA -0.373 61.944 62.300 0.028 0.000 0.874 266 V CB 1.864 33.704 31.823 0.027 0.000 0.985 266 V HN 0.992 nan 8.190 nan 0.000 0.438 267 T N 4.376 118.951 114.554 0.036 0.000 2.788 267 T HA 0.598 4.948 4.350 0.000 0.000 0.296 267 T C 0.074 174.798 174.700 0.039 0.000 1.009 267 T CA -0.204 61.929 62.100 0.056 0.000 0.949 267 T CB 1.248 70.148 68.868 0.053 0.000 0.946 267 T HN 0.836 nan 8.240 nan 0.000 0.453 268 A N 3.947 126.797 122.820 0.051 0.000 2.786 268 A HA 0.587 4.907 4.320 0.000 0.000 0.346 268 A C 0.147 177.653 177.584 -0.129 0.000 1.265 268 A CA -0.545 51.481 52.037 -0.017 0.000 0.858 268 A CB 0.076 19.069 19.000 -0.011 0.000 1.118 268 A HN 0.671 nan 8.150 nan 0.000 0.482 269 V N 3.522 123.324 119.914 -0.186 0.000 2.479 269 V HA 0.129 4.249 4.120 0.000 0.000 0.281 269 V C -1.984 173.842 176.094 -0.448 0.000 1.031 269 V CA -0.970 61.050 62.300 -0.467 0.000 1.038 269 V CB 0.677 32.366 31.823 -0.224 0.000 0.981 269 V HN 0.643 nan 8.190 nan 0.000 0.478 270 P HA 0.142 nan 4.420 nan 0.000 0.264 270 P C 0.849 178.021 177.300 -0.214 0.000 1.183 270 P CA 1.304 64.196 63.100 -0.346 0.000 0.763 270 P CB 0.393 31.891 31.700 -0.337 0.000 0.807 271 G N 1.250 109.970 108.800 -0.133 0.000 2.147 271 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 271 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 271 G C 0.145 174.997 174.900 -0.080 0.000 1.005 271 G CA 0.024 45.071 45.100 -0.088 0.000 0.713 271 G HN 0.707 nan 8.290 nan 0.000 0.515 272 R N -1.556 118.890 120.500 -0.091 0.000 2.781 272 R HA 0.732 5.072 4.340 0.000 0.000 0.269 272 R C -0.380 175.885 176.300 -0.058 0.000 1.025 272 R CA -0.997 55.061 56.100 -0.070 0.000 0.914 272 R CB 0.915 31.168 30.300 -0.079 0.000 1.236 272 R HN 0.105 nan 8.270 nan 0.000 0.465 273 L N 3.471 124.670 121.223 -0.040 0.000 2.326 273 L HA 0.454 4.794 4.340 0.000 0.000 0.278 273 L C -1.724 175.130 176.870 -0.028 0.000 1.092 273 L CA -1.851 52.971 54.840 -0.031 0.000 0.810 273 L CB 1.157 43.204 42.059 -0.021 0.000 1.153 273 L HN 0.513 nan 8.230 nan 0.000 0.439 274 P HA 0.069 nan 4.420 nan 0.000 0.270 274 P C -0.953 176.344 177.300 -0.006 0.000 1.223 274 P CA -0.096 62.996 63.100 -0.014 0.000 0.785 274 P CB 1.458 33.153 31.700 -0.009 0.000 0.923 275 V N 2.808 122.723 119.914 0.001 0.000 2.733 275 V HA 0.419 4.539 4.120 0.000 0.000 0.306 275 V C -0.790 175.310 176.094 0.009 0.000 1.084 275 V CA -0.915 61.387 62.300 0.004 0.000 0.905 275 V CB 1.983 33.808 31.823 0.003 0.000 1.010 275 V HN 0.415 nan 8.190 nan 0.000 0.424 276 M N 4.467 124.072 119.600 0.008 0.000 2.277 276 M HA 0.563 5.043 4.480 0.000 0.000 0.350 276 M C -0.406 175.899 176.300 0.008 0.000 1.180 276 M CA -0.038 55.268 55.300 0.010 0.000 1.103 276 M CB 1.820 34.426 32.600 0.009 0.000 1.577 276 M HN 0.846 nan 8.290 nan 0.000 0.459 277 T N 2.883 117.442 114.554 0.008 0.000 2.916 277 T HA 0.560 4.910 4.350 0.000 0.000 0.305 277 T C -1.100 173.601 174.700 0.002 0.000 1.119 277 T CA -0.675 61.428 62.100 0.005 0.000 1.008 277 T CB 2.011 70.882 68.868 0.005 0.000 1.129 277 T HN 0.527 nan 8.240 nan 0.000 0.480 278 M N 2.604 122.204 119.600 -0.001 0.000 2.227 278 M HA 0.565 5.045 4.480 0.000 0.000 0.335 278 M C -1.136 175.158 176.300 -0.010 0.000 1.053 278 M CA -0.516 54.781 55.300 -0.004 0.000 0.973 278 M CB 0.904 33.502 32.600 -0.003 0.000 1.623 278 M HN 0.484 nan 8.290 nan 0.000 0.434 279 I N 6.964 127.524 120.570 -0.017 0.000 2.328 279 I HA 0.426 4.596 4.170 0.000 0.000 0.287 279 I C -2.213 173.888 176.117 -0.027 0.000 1.012 279 I CA -1.718 59.568 61.300 -0.024 0.000 1.195 279 I CB 1.027 39.006 38.000 -0.035 0.000 1.350 279 I HN 0.434 nan 8.210 nan 0.000 0.464 280 P HA 0.262 nan 4.420 nan 0.000 0.283 280 P C -0.797 176.486 177.300 -0.028 0.000 1.278 280 P CA -0.213 62.874 63.100 -0.023 0.000 0.834 280 P CB 0.832 32.522 31.700 -0.017 0.000 1.150 281 D N -2.167 118.217 120.400 -0.028 0.000 2.708 281 D HA -0.109 4.531 4.640 0.000 0.000 0.236 281 D C -0.345 175.931 176.300 -0.040 0.000 1.146 281 D CA 0.635 54.616 54.000 -0.031 0.000 0.662 281 D CB -2.062 38.722 40.800 -0.027 0.000 1.059 281 D HN 0.074 nan 8.370 nan 0.000 0.428 282 V N 1.208 121.094 119.914 -0.047 0.000 2.432 282 V HA 0.046 4.166 4.120 0.000 0.000 0.271 282 V C 1.450 177.505 176.094 -0.065 0.000 1.046 282 V CA -0.130 62.134 62.300 -0.060 0.000 0.945 282 V CB 1.649 33.428 31.823 -0.074 0.000 0.992 282 V HN 0.027 nan 8.190 nan 0.000 0.471 283 D N 2.102 122.460 120.400 -0.071 0.000 2.240 283 D HA 0.038 4.678 4.640 0.000 0.000 0.206 283 D C 0.549 176.795 176.300 -0.089 0.000 0.963 283 D CA 0.809 54.762 54.000 -0.079 0.000 0.863 283 D CB 0.530 41.277 40.800 -0.088 0.000 0.973 283 D HN 0.541 nan 8.370 nan 0.000 0.501 284 C N 1.547 120.790 119.300 -0.095 0.000 2.432 284 C HA 0.576 5.036 4.460 0.000 0.000 0.334 284 C C -1.276 173.636 174.990 -0.130 0.000 1.155 284 C CA -0.953 58.005 59.018 -0.101 0.000 1.335 284 C CB -0.160 27.526 27.740 -0.089 0.000 1.964 284 C HN 0.125 nan 8.230 nan 0.000 0.444 285 L N 6.926 128.045 121.223 -0.173 0.000 2.280 285 L HA 0.706 5.046 4.340 0.000 0.000 0.287 285 L C -0.940 175.721 176.870 -0.349 0.000 1.023 285 L CA -0.135 54.523 54.840 -0.304 0.000 0.819 285 L CB 1.181 43.012 42.059 -0.379 0.000 1.212 285 L HN 0.780 nan 8.230 nan 0.000 0.420 286 L N 5.577 126.604 121.223 -0.327 0.000 2.298 286 L HA 0.490 4.830 4.340 0.000 0.000 0.284 286 L C -1.268 175.468 176.870 -0.223 0.000 1.013 286 L CA -0.363 54.348 54.840 -0.216 0.000 0.824 286 L CB 0.824 42.828 42.059 -0.092 0.000 1.221 286 L HN 0.673 nan 8.230 nan 0.000 0.418 287 W N 5.036 126.322 121.300 -0.024 0.000 2.388 287 W HA 0.502 5.162 4.660 0.000 0.000 0.308 287 W C 0.409 176.902 176.519 -0.043 0.000 1.263 287 W CA -0.599 56.729 57.345 -0.029 0.000 1.286 287 W CB 1.199 30.646 29.460 -0.022 0.000 1.294 287 W HN 0.585 nan 8.180 nan 0.000 0.493 288 A N 5.229 128.156 122.820 0.179 0.000 3.253 288 A HA 0.265 4.585 4.320 0.000 0.000 0.290 288 A C 0.563 178.186 177.584 0.064 0.000 0.950 288 A CA -0.439 51.632 52.037 0.057 0.000 0.986 288 A CB -0.659 18.319 19.000 -0.037 0.000 1.104 288 A HN 0.796 nan 8.150 nan 0.000 0.481 289 I N -3.786 116.849 120.570 0.108 0.000 3.783 289 I HA 0.594 4.764 4.170 0.000 0.000 0.310 289 I C 0.694 176.840 176.117 0.048 0.000 1.274 289 I CA 0.367 61.716 61.300 0.082 0.000 1.294 289 I CB 0.536 38.593 38.000 0.096 0.000 1.051 289 I HN 0.386 nan 8.210 nan 0.000 0.435 290 G N 1.202 110.023 108.800 0.036 0.000 2.320 290 G HA2 0.363 4.323 3.960 0.000 0.000 0.297 290 G HA3 0.363 4.323 3.960 0.000 0.000 0.297 290 G C -1.712 173.211 174.900 0.038 0.000 1.344 290 G CA -1.028 44.095 45.100 0.039 0.000 0.851 290 G HN 0.084 nan 8.290 nan 0.000 0.567 291 R N -0.851 119.685 120.500 0.060 0.000 2.686 291 R HA 0.737 5.077 4.340 0.000 0.000 0.286 291 R C -1.122 175.221 176.300 0.072 0.000 0.969 291 R CA -0.786 55.354 56.100 0.065 0.000 0.898 291 R CB 2.148 32.501 30.300 0.088 0.000 1.183 291 R HN 0.878 nan 8.270 nan 0.000 0.456 292 V N 3.340 123.278 119.914 0.040 0.000 2.581 292 V HA 0.548 4.669 4.120 0.000 0.000 0.303 292 V C -2.237 173.864 176.094 0.012 0.000 1.041 292 V CA -2.534 59.766 62.300 -0.001 0.000 0.907 292 V CB 2.239 34.046 31.823 -0.026 0.000 0.994 292 V HN 0.590 nan 8.190 nan 0.000 0.442 293 P HA 0.143 nan 4.420 nan 0.000 0.272 293 P C -0.852 176.461 177.300 0.021 0.000 1.223 293 P CA -0.227 62.891 63.100 0.030 0.000 0.784 293 P CB 0.521 32.233 31.700 0.021 0.000 0.923 294 N N 1.413 120.143 118.700 0.050 0.000 3.034 294 N HA 0.097 4.838 4.740 0.000 0.000 0.265 294 N C 0.488 176.037 175.510 0.065 0.000 1.166 294 N CA 0.159 53.241 53.050 0.054 0.000 1.081 294 N CB -0.230 38.291 38.487 0.057 0.000 1.378 294 N HN 0.419 nan 8.380 nan 0.000 0.520 295 T N -2.729 111.860 114.554 0.058 0.000 3.016 295 T HA 0.123 4.473 4.350 0.000 0.000 0.271 295 T C 1.544 176.292 174.700 0.079 0.000 0.968 295 T CA -0.255 61.889 62.100 0.074 0.000 0.891 295 T CB 0.520 69.425 68.868 0.062 0.000 1.149 295 T HN 0.072 nan 8.240 nan 0.000 0.524 296 K N 2.139 122.578 120.400 0.064 0.000 2.034 296 K HA -0.159 4.161 4.320 0.000 0.000 0.214 296 K C 0.454 177.105 176.600 0.085 0.000 1.051 296 K CA 1.888 58.211 56.287 0.060 0.000 0.931 296 K CB -0.418 32.108 32.500 0.044 0.000 0.715 296 K HN 0.426 nan 8.250 nan 0.000 0.446 297 D N 0.705 121.179 120.400 0.123 0.000 2.561 297 D HA 0.045 4.685 4.640 0.000 0.000 0.232 297 D C 1.032 177.480 176.300 0.248 0.000 1.198 297 D CA 0.016 54.113 54.000 0.161 0.000 0.826 297 D CB 0.314 41.185 40.800 0.118 0.000 0.992 297 D HN 0.218 nan 8.370 nan 0.000 0.490 298 L N -0.258 121.074 121.223 0.182 0.000 2.554 298 L HA -0.006 4.334 4.340 0.000 0.000 0.225 298 L C 0.561 177.583 176.870 0.253 0.000 1.104 298 L CA 0.177 55.127 54.840 0.183 0.000 0.866 298 L CB 0.124 42.301 42.059 0.196 0.000 1.047 298 L HN -0.102 nan 8.230 nan 0.000 0.468 299 S N 0.083 115.899 115.700 0.193 0.000 3.682 299 S HA -0.179 4.291 4.470 0.000 0.000 0.354 299 S C 1.215 175.926 174.600 0.184 0.000 1.034 299 S CA 0.212 58.515 58.200 0.171 0.000 1.084 299 S CB -1.669 61.638 63.200 0.177 0.000 0.903 299 S HN 0.339 nan 8.310 nan 0.000 0.470 300 L N 1.244 122.556 121.223 0.149 0.000 2.131 300 L HA -0.202 4.139 4.340 0.000 0.000 0.210 300 L C 2.558 179.408 176.870 -0.035 0.000 1.092 300 L CA 1.822 56.682 54.840 0.034 0.000 0.759 300 L CB -0.633 41.447 42.059 0.035 0.000 0.903 300 L HN 0.711 nan 8.230 nan 0.000 0.435 301 N N 0.630 119.334 118.700 0.007 0.000 2.149 301 N HA -0.259 4.481 4.740 0.000 0.000 0.188 301 N C 1.542 177.042 175.510 -0.015 0.000 1.019 301 N CA 1.247 54.294 53.050 -0.007 0.000 0.857 301 N CB -0.386 38.108 38.487 0.011 0.000 0.997 301 N HN 0.395 nan 8.380 nan 0.000 0.426 302 K N 0.408 120.812 120.400 0.007 0.000 2.218 302 K HA -0.019 4.301 4.320 0.000 0.000 0.205 302 K C 1.637 178.217 176.600 -0.033 0.000 1.046 302 K CA 0.981 57.274 56.287 0.010 0.000 0.933 302 K CB -0.017 32.520 32.500 0.062 0.000 0.728 302 K HN 0.307 nan 8.250 nan 0.000 0.454 303 L N -1.172 119.991 121.223 -0.099 0.000 2.858 303 L HA 0.180 4.520 4.340 0.000 0.000 0.251 303 L C 0.672 177.466 176.870 -0.127 0.000 1.149 303 L CA -0.028 54.724 54.840 -0.146 0.000 0.955 303 L CB 0.879 42.758 42.059 -0.300 0.000 1.289 303 L HN 0.298 nan 8.230 nan 0.000 0.542 304 G N 1.775 110.517 108.800 -0.096 0.000 2.225 304 G HA2 -0.282 3.678 3.960 0.000 0.000 0.264 304 G HA3 -0.282 3.678 3.960 0.000 0.000 0.264 304 G C 0.059 174.909 174.900 -0.085 0.000 1.060 304 G CA -0.126 44.931 45.100 -0.072 0.000 0.833 304 G HN 0.271 nan 8.290 nan 0.000 0.498 305 I N 0.501 121.002 120.570 -0.114 0.000 2.471 305 I HA 0.122 4.292 4.170 0.000 0.000 0.286 305 I C 1.232 177.318 176.117 -0.052 0.000 1.079 305 I CA -0.071 61.165 61.300 -0.107 0.000 1.398 305 I CB 0.865 38.771 38.000 -0.157 0.000 1.403 305 I HN 0.235 nan 8.210 nan 0.000 0.530 306 Q N 4.676 124.455 119.800 -0.035 0.000 2.337 306 Q HA 0.205 4.545 4.340 0.000 0.000 0.270 306 Q C -0.137 175.866 176.000 0.005 0.000 1.002 306 Q CA 0.259 56.055 55.803 -0.013 0.000 0.888 306 Q CB 0.920 29.654 28.738 -0.008 0.000 1.222 306 Q HN 0.774 nan 8.270 nan 0.000 0.400 307 T N -1.098 113.463 114.554 0.012 0.000 2.864 307 T HA 0.419 4.769 4.350 0.000 0.000 0.299 307 T C -0.742 173.976 174.700 0.030 0.000 1.166 307 T CA -1.109 61.009 62.100 0.030 0.000 1.007 307 T CB 1.525 70.407 68.868 0.023 0.000 1.219 307 T HN 0.564 nan 8.240 nan 0.000 0.506 308 D N -0.208 120.221 120.400 0.049 0.000 2.511 308 D HA 0.252 4.892 4.640 0.000 0.000 0.276 308 D C 0.694 177.004 176.300 0.017 0.000 1.220 308 D CA -0.473 53.553 54.000 0.044 0.000 1.077 308 D CB 0.065 40.917 40.800 0.086 0.000 1.126 308 D HN 0.603 nan 8.370 nan 0.000 0.583 309 D N -1.464 118.944 120.400 0.013 0.000 2.363 309 D HA -0.083 4.557 4.640 0.000 0.000 0.226 309 D C 0.874 177.155 176.300 -0.033 0.000 1.020 309 D CA 0.448 54.444 54.000 -0.007 0.000 0.892 309 D CB -0.040 40.760 40.800 -0.002 0.000 0.900 309 D HN 0.097 nan 8.370 nan 0.000 0.531 310 K N -0.393 119.970 120.400 -0.062 0.000 2.361 310 K HA 0.272 4.592 4.320 0.000 0.000 0.194 310 K C 1.549 177.991 176.600 -0.263 0.000 1.032 310 K CA 0.660 56.847 56.287 -0.168 0.000 1.048 310 K CB 0.562 32.921 32.500 -0.235 0.000 0.842 310 K HN 0.324 nan 8.250 nan 0.000 0.526 311 G N 1.207 109.900 108.800 -0.179 0.000 2.179 311 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 311 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 311 G C -0.391 174.447 174.900 -0.103 0.000 0.990 311 G CA -0.237 44.787 45.100 -0.127 0.000 0.646 311 G HN 0.474 nan 8.290 nan 0.000 0.517 312 H N -0.024 119.059 119.070 0.022 0.000 2.764 312 H HA 0.507 5.063 4.556 0.000 0.000 0.341 312 H C 1.020 176.360 175.328 0.020 0.000 1.072 312 H CA -0.140 55.921 56.048 0.022 0.000 1.444 312 H CB 0.898 30.669 29.762 0.014 0.000 1.458 312 H HN 0.275 nan 8.280 nan 0.000 0.572 313 I N 4.037 124.702 120.570 0.158 0.000 2.529 313 I HA -0.011 4.159 4.170 0.000 0.000 0.284 313 I C 0.058 176.220 176.117 0.076 0.000 1.082 313 I CA -0.131 61.226 61.300 0.094 0.000 1.406 313 I CB 0.555 38.607 38.000 0.087 0.000 1.405 313 I HN 0.386 nan 8.210 nan 0.000 0.548 314 I N 7.096 127.695 120.570 0.049 0.000 2.395 314 I HA 0.345 4.515 4.170 0.000 0.000 0.289 314 I C 0.149 176.282 176.117 0.026 0.000 1.023 314 I CA -0.248 61.069 61.300 0.028 0.000 1.350 314 I CB 1.052 39.063 38.000 0.018 0.000 1.409 314 I HN 0.294 nan 8.210 nan 0.000 0.507 315 V N 2.576 122.500 119.914 0.017 0.000 3.078 315 V HA 0.675 4.795 4.120 0.000 0.000 0.311 315 V C -0.629 175.478 176.094 0.021 0.000 1.138 315 V CA -0.951 61.373 62.300 0.039 0.000 1.007 315 V CB 2.147 34.010 31.823 0.065 0.000 1.045 315 V HN 0.729 nan 8.190 nan 0.000 0.432 316 D N 0.931 121.368 120.400 0.062 0.000 2.507 316 D HA 0.176 4.816 4.640 0.000 0.000 0.280 316 D C 1.070 177.369 176.300 -0.002 0.000 1.219 316 D CA 0.171 54.199 54.000 0.046 0.000 1.085 316 D CB 0.315 41.188 40.800 0.121 0.000 1.134 316 D HN 0.833 nan 8.370 nan 0.000 0.583 317 E N -0.665 119.476 120.200 -0.098 0.000 2.409 317 E HA -0.143 4.208 4.350 0.000 0.000 0.198 317 E C 0.643 177.018 176.600 -0.374 0.000 1.024 317 E CA 0.713 56.949 56.400 -0.274 0.000 0.861 317 E CB -0.532 28.903 29.700 -0.443 0.000 0.788 317 E HN 0.476 nan 8.360 nan 0.000 0.521 318 F N 0.793 120.794 119.950 0.085 0.000 2.639 318 F HA 0.218 4.745 4.527 0.000 0.000 0.302 318 F C 0.358 176.228 175.800 0.118 0.000 1.097 318 F CA -0.475 57.577 58.000 0.087 0.000 1.294 318 F CB 0.665 39.708 39.000 0.072 0.000 1.027 318 F HN -0.201 nan 8.300 nan 0.000 0.550 319 Q N -0.842 119.103 119.800 0.242 0.000 2.465 319 Q HA -0.202 4.138 4.340 0.000 0.000 0.248 319 Q C -0.897 175.296 176.000 0.321 0.000 0.819 319 Q CA 0.397 56.344 55.803 0.239 0.000 1.219 319 Q CB -2.420 26.456 28.738 0.230 0.000 1.472 319 Q HN 0.376 nan 8.270 nan 0.000 0.630 320 N N 1.730 120.621 118.700 0.319 0.000 2.520 320 N HA 0.225 4.965 4.740 0.000 0.000 0.273 320 N C 0.753 176.338 175.510 0.124 0.000 1.155 320 N CA 0.719 53.932 53.050 0.272 0.000 0.967 320 N CB 1.034 39.664 38.487 0.239 0.000 1.092 320 N HN 0.373 nan 8.380 nan 0.000 0.457 321 T N -1.358 113.214 114.554 0.030 0.000 2.867 321 T HA 0.149 4.499 4.350 0.000 0.000 0.286 321 T C 1.328 176.017 174.700 -0.019 0.000 1.022 321 T CA -0.669 61.430 62.100 -0.001 0.000 0.933 321 T CB 0.417 69.258 68.868 -0.045 0.000 1.280 321 T HN 0.513 nan 8.240 nan 0.000 0.566 322 N N -0.452 118.231 118.700 -0.029 0.000 2.550 322 N HA -0.018 4.722 4.740 0.000 0.000 0.186 322 N C 0.021 175.501 175.510 -0.051 0.000 1.110 322 N CA 0.106 53.139 53.050 -0.028 0.000 0.912 322 N CB -0.456 38.016 38.487 -0.025 0.000 0.968 322 N HN 0.393 nan 8.380 nan 0.000 0.448 323 V N 1.131 120.993 119.914 -0.087 0.000 2.398 323 V HA 0.209 4.329 4.120 0.000 0.000 0.286 323 V C 0.390 176.402 176.094 -0.136 0.000 1.026 323 V CA -1.055 61.179 62.300 -0.109 0.000 0.868 323 V CB 1.464 33.198 31.823 -0.149 0.000 0.982 323 V HN 0.024 nan 8.190 nan 0.000 0.443 324 K N 2.790 123.131 120.400 -0.099 0.000 2.448 324 K HA 0.393 4.713 4.320 0.000 0.000 0.278 324 K C 1.236 177.754 176.600 -0.137 0.000 1.009 324 K CA 1.059 57.289 56.287 -0.094 0.000 0.995 324 K CB 0.459 32.936 32.500 -0.038 0.000 0.917 324 K HN 1.127 nan 8.250 nan 0.000 0.481 325 G N 2.480 111.167 108.800 -0.188 0.000 2.176 325 G HA2 -0.248 3.712 3.960 0.000 0.000 0.253 325 G HA3 -0.248 3.712 3.960 0.000 0.000 0.253 325 G C 0.053 174.729 174.900 -0.373 0.000 0.979 325 G CA -0.210 44.800 45.100 -0.150 0.000 0.641 325 G HN 0.531 nan 8.290 nan 0.000 0.530 326 I N 0.317 120.504 120.570 -0.638 0.000 2.436 326 I HA 0.604 4.774 4.170 0.000 0.000 0.289 326 I C -0.263 175.447 176.117 -0.677 0.000 1.010 326 I CA -1.138 59.874 61.300 -0.479 0.000 1.098 326 I CB 1.507 39.379 38.000 -0.213 0.000 1.266 326 I HN 0.049 nan 8.210 nan 0.000 0.434 327 Y N 3.900 124.291 120.300 0.151 0.000 2.633 327 Y HA 0.870 5.420 4.550 0.000 0.000 0.339 327 Y C 0.024 176.000 175.900 0.126 0.000 1.045 327 Y CA -1.207 56.976 58.100 0.138 0.000 1.098 327 Y CB 1.780 40.339 38.460 0.165 0.000 1.296 327 Y HN 0.571 nan 8.280 nan 0.000 0.494 328 A N 0.682 123.670 122.820 0.281 0.000 2.547 328 A HA 0.850 5.170 4.320 0.000 0.000 0.297 328 A C -1.459 176.229 177.584 0.173 0.000 1.056 328 A CA -0.518 51.633 52.037 0.190 0.000 0.688 328 A CB 1.294 20.378 19.000 0.139 0.000 1.282 328 A HN 1.261 nan 8.150 nan 0.000 0.400 329 V N -0.991 119.009 119.914 0.143 0.000 3.188 329 V HA 1.015 5.136 4.120 0.000 0.000 0.305 329 V C 0.357 176.515 176.094 0.107 0.000 1.232 329 V CA 0.177 62.558 62.300 0.134 0.000 1.043 329 V CB 0.939 32.842 31.823 0.133 0.000 1.068 329 V HN 2.984 nan 8.190 nan 0.000 0.439 330 G N 1.751 110.616 108.800 0.109 0.000 2.660 330 G HA2 -0.141 3.820 3.960 0.000 0.000 0.215 330 G HA3 -0.141 3.820 3.960 0.000 0.000 0.215 330 G C -0.091 174.859 174.900 0.082 0.000 1.345 330 G CA 0.522 45.675 45.100 0.088 0.000 0.877 330 G HN 1.120 nan 8.290 nan 0.000 0.549 331 D N -0.825 119.621 120.400 0.077 0.000 2.228 331 D HA -0.061 4.579 4.640 0.000 0.000 0.203 331 D C 2.470 178.837 176.300 0.110 0.000 0.988 331 D CA 1.391 55.442 54.000 0.085 0.000 0.864 331 D CB -0.126 40.727 40.800 0.089 0.000 0.928 331 D HN 0.540 nan 8.370 nan 0.000 0.469 332 V N -0.185 119.796 119.914 0.113 0.000 2.720 332 V HA -0.225 3.895 4.120 0.000 0.000 0.256 332 V C 1.745 177.944 176.094 0.176 0.000 1.082 332 V CA 1.327 63.717 62.300 0.150 0.000 1.101 332 V CB -0.196 31.695 31.823 0.113 0.000 0.693 332 V HN 0.338 nan 8.190 nan 0.000 0.479 333 C N 0.562 119.914 119.300 0.087 0.000 2.626 333 C HA 0.420 4.880 4.460 0.000 0.000 0.266 333 C C 1.994 176.874 174.990 -0.183 0.000 1.317 333 C CA 0.105 59.132 59.018 0.015 0.000 1.716 333 C CB -1.129 26.613 27.740 0.003 0.000 1.819 333 C HN 0.837 nan 8.230 nan 0.000 0.578 334 G N 1.849 110.498 108.800 -0.252 0.000 2.168 334 G HA2 -0.288 3.672 3.960 0.000 0.000 0.257 334 G HA3 -0.288 3.672 3.960 0.000 0.000 0.257 334 G C -0.047 174.659 174.900 -0.323 0.000 0.997 334 G CA 0.885 45.625 45.100 -0.599 0.000 0.708 334 G HN 0.752 nan 8.290 nan 0.000 0.520 335 K N -1.355 118.944 120.400 -0.168 0.000 2.397 335 K HA 0.747 5.067 4.320 0.000 0.000 0.253 335 K C 0.379 176.984 176.600 0.009 0.000 0.932 335 K CA -0.079 56.138 56.287 -0.116 0.000 0.795 335 K CB 1.899 34.272 32.500 -0.211 0.000 1.159 335 K HN 1.714 nan 8.250 nan 0.000 0.424 336 A N 3.866 126.706 122.820 0.034 0.000 2.183 336 A HA -0.117 4.203 4.320 0.000 0.000 0.278 336 A C -0.268 177.362 177.584 0.078 0.000 1.404 336 A CA 0.345 52.430 52.037 0.079 0.000 0.737 336 A CB -1.994 17.116 19.000 0.182 0.000 1.172 336 A HN 0.751 nan 8.150 nan 0.000 0.338 337 L N 1.563 122.828 121.223 0.070 0.000 2.382 337 L HA 0.393 4.734 4.340 0.000 0.000 0.259 337 L C 0.172 177.095 176.870 0.088 0.000 1.291 337 L CA 0.286 55.181 54.840 0.091 0.000 1.176 337 L CB -0.593 41.540 42.059 0.124 0.000 1.373 337 L HN 0.566 nan 8.230 nan 0.000 0.426 338 L N 0.213 121.470 121.223 0.057 0.000 2.409 338 L HA 0.357 4.697 4.340 0.000 0.000 0.262 338 L C 1.183 178.072 176.870 0.032 0.000 0.992 338 L CA -0.442 54.417 54.840 0.032 0.000 0.817 338 L CB 2.233 44.286 42.059 -0.010 0.000 1.350 338 L HN 0.075 nan 8.230 nan 0.000 0.411 339 T N 1.031 115.603 114.554 0.031 0.000 2.684 339 T HA -0.073 4.277 4.350 0.000 0.000 0.267 339 T C -1.104 173.603 174.700 0.011 0.000 1.036 339 T CA 1.826 63.939 62.100 0.021 0.000 1.148 339 T CB -0.502 68.377 68.868 0.019 0.000 0.863 339 T HN 0.474 nan 8.240 nan 0.000 0.436 340 P HA -0.008 nan 4.420 nan 0.000 0.219 340 P C 1.478 178.763 177.300 -0.026 0.000 1.146 340 P CA 0.574 63.670 63.100 -0.008 0.000 0.808 340 P CB -0.151 31.541 31.700 -0.013 0.000 0.779 341 V N 0.033 119.930 119.914 -0.027 0.000 2.379 341 V HA -0.189 3.931 4.120 0.000 0.000 0.245 341 V C 2.479 178.562 176.094 -0.018 0.000 1.044 341 V CA 2.061 64.328 62.300 -0.055 0.000 1.036 341 V CB -1.689 30.122 31.823 -0.021 0.000 0.664 341 V HN 0.096 nan 8.190 nan 0.000 0.453 342 A N 0.108 122.940 122.820 0.021 0.000 1.902 342 A HA -0.176 4.144 4.320 0.000 0.000 0.217 342 A C 2.196 179.796 177.584 0.027 0.000 1.181 342 A CA 1.921 53.982 52.037 0.040 0.000 0.623 342 A CB -0.534 18.488 19.000 0.038 0.000 0.818 342 A HN 0.489 nan 8.150 nan 0.000 0.443 343 I N -0.342 120.236 120.570 0.014 0.000 2.142 343 I HA -0.292 3.878 4.170 0.000 0.000 0.240 343 I C 3.017 179.143 176.117 0.014 0.000 1.078 343 I CA 1.171 62.482 61.300 0.018 0.000 1.343 343 I CB -0.400 37.609 38.000 0.016 0.000 1.046 343 I HN 0.365 nan 8.210 nan 0.000 0.405 344 A N 0.672 123.483 122.820 -0.015 0.000 1.902 344 A HA -0.174 4.146 4.320 0.000 0.000 0.217 344 A C 2.522 180.091 177.584 -0.026 0.000 1.181 344 A CA 1.925 53.943 52.037 -0.033 0.000 0.623 344 A CB -0.885 18.065 19.000 -0.083 0.000 0.818 344 A HN 0.451 nan 8.150 nan 0.000 0.443 345 A N -0.561 122.241 122.820 -0.030 0.000 1.933 345 A HA 0.135 4.455 4.320 0.000 0.000 0.218 345 A C 2.388 180.007 177.584 0.058 0.000 1.175 345 A CA 1.888 53.933 52.037 0.013 0.000 0.628 345 A CB -1.313 17.728 19.000 0.067 0.000 0.814 345 A HN 0.723 nan 8.150 nan 0.000 0.444 346 G N -0.681 108.157 108.800 0.063 0.000 2.408 346 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 346 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 346 G C 1.794 176.745 174.900 0.086 0.000 1.150 346 G CA 0.823 45.974 45.100 0.086 0.000 0.776 346 G HN 0.553 nan 8.290 nan 0.000 0.542 347 R N 0.007 120.554 120.500 0.078 0.000 2.062 347 R HA 0.032 4.372 4.340 0.000 0.000 0.229 347 R C 2.592 178.993 176.300 0.167 0.000 1.128 347 R CA 0.923 57.092 56.100 0.115 0.000 0.960 347 R CB -0.157 30.213 30.300 0.117 0.000 0.855 347 R HN 0.078 nan 8.270 nan 0.000 0.432 348 K N 0.952 121.415 120.400 0.105 0.000 2.103 348 K HA -0.159 4.161 4.320 0.000 0.000 0.207 348 K C 2.029 178.675 176.600 0.077 0.000 1.048 348 K CA 0.945 57.285 56.287 0.090 0.000 0.930 348 K CB -0.460 32.062 32.500 0.038 0.000 0.716 348 K HN 0.105 nan 8.250 nan 0.000 0.444 349 L N 0.901 122.147 121.223 0.038 0.000 2.056 349 L HA -0.056 4.284 4.340 0.000 0.000 0.207 349 L C 2.153 178.929 176.870 -0.156 0.000 1.078 349 L CA 1.925 56.732 54.840 -0.056 0.000 0.749 349 L CB -0.837 41.198 42.059 -0.041 0.000 0.901 349 L HN 0.135 nan 8.230 nan 0.000 0.433 350 A N -1.504 121.270 122.820 -0.078 0.000 1.933 350 A HA -0.245 4.075 4.320 0.000 0.000 0.218 350 A C 2.233 179.716 177.584 -0.167 0.000 1.175 350 A CA 1.737 53.705 52.037 -0.115 0.000 0.628 350 A CB -0.962 17.985 19.000 -0.088 0.000 0.814 350 A HN 0.676 nan 8.150 nan 0.000 0.444 351 H N -1.016 117.999 119.070 -0.091 0.000 2.423 351 H HA -0.072 4.484 4.556 0.000 0.000 0.297 351 H C 2.313 177.536 175.328 -0.175 0.000 1.075 351 H CA 1.701 57.690 56.048 -0.097 0.000 1.342 351 H CB -0.028 29.703 29.762 -0.053 0.000 1.395 351 H HN 0.615 nan 8.280 nan 0.000 0.530 352 R N 0.868 121.313 120.500 -0.091 0.000 2.073 352 R HA -0.044 4.297 4.340 0.000 0.000 0.229 352 R C 2.190 178.246 176.300 -0.407 0.000 1.120 352 R CA 0.747 56.740 56.100 -0.178 0.000 0.967 352 R CB -0.068 30.154 30.300 -0.130 0.000 0.862 352 R HN 0.189 nan 8.270 nan 0.000 0.436 353 L N -0.658 120.178 121.223 -0.645 0.000 2.068 353 L HA 0.011 4.352 4.340 0.000 0.000 0.204 353 L C 1.490 177.518 176.870 -1.402 0.000 1.076 353 L CA 0.993 55.156 54.840 -1.130 0.000 0.753 353 L CB -0.170 40.871 42.059 -1.697 0.000 0.910 353 L HN 0.169 nan 8.230 nan 0.000 0.439 354 F N -1.082 118.449 119.950 -0.698 0.000 2.721 354 F HA 0.108 4.635 4.527 0.000 0.000 0.301 354 F C 1.984 177.393 175.800 -0.652 0.000 1.096 354 F CA 0.058 57.641 58.000 -0.694 0.000 1.308 354 F CB 0.136 38.860 39.000 -0.459 0.000 1.086 354 F HN 0.014 nan 8.300 nan 0.000 0.587 355 E N -1.058 118.888 120.200 -0.423 0.000 2.562 355 E HA 0.046 4.396 4.350 0.000 0.000 0.214 355 E C -0.262 176.313 176.600 -0.042 0.000 0.979 355 E CA -0.042 56.281 56.400 -0.129 0.000 1.002 355 E CB 0.138 29.859 29.700 0.035 0.000 1.048 355 E HN 0.283 nan 8.360 nan 0.000 0.488 356 Y N 0.006 120.275 120.300 -0.052 0.000 3.491 356 Y HA -0.282 4.268 4.550 0.000 0.000 0.215 356 Y C -0.516 175.359 175.900 -0.042 0.000 1.219 356 Y CA 0.787 58.848 58.100 -0.065 0.000 1.485 356 Y CB -2.012 36.423 38.460 -0.041 0.000 1.450 356 Y HN 0.043 nan 8.280 nan 0.000 0.603 357 K N 1.581 121.993 120.400 0.020 0.000 2.229 357 K HA 0.136 4.456 4.320 0.000 0.000 0.247 357 K C 0.950 177.548 176.600 -0.004 0.000 1.117 357 K CA 0.224 56.529 56.287 0.030 0.000 1.036 357 K CB 0.291 32.815 32.500 0.039 0.000 1.654 357 K HN 0.619 nan 8.250 nan 0.000 0.405 358 E N 1.215 121.403 120.200 -0.020 0.000 2.455 358 E HA -0.210 4.140 4.350 0.000 0.000 0.202 358 E C 0.559 177.118 176.600 -0.068 0.000 1.045 358 E CA 1.296 57.637 56.400 -0.098 0.000 0.872 358 E CB 0.033 29.667 29.700 -0.111 0.000 0.792 358 E HN 0.460 nan 8.360 nan 0.000 0.542 359 D N 0.750 121.182 120.400 0.054 0.000 2.369 359 D HA -0.029 4.611 4.640 0.000 0.000 0.211 359 D C 0.135 176.561 176.300 0.210 0.000 1.077 359 D CA -0.210 53.895 54.000 0.175 0.000 0.842 359 D CB 0.185 41.051 40.800 0.111 0.000 0.947 359 D HN 0.026 nan 8.370 nan 0.000 0.509 360 S N 0.702 116.493 115.700 0.152 0.000 2.430 360 S HA 0.303 4.773 4.470 0.000 0.000 0.282 360 S C -0.201 174.514 174.600 0.192 0.000 1.186 360 S CA -0.456 57.815 58.200 0.118 0.000 1.060 360 S CB -0.158 63.083 63.200 0.068 0.000 0.966 360 S HN 0.427 nan 8.310 nan 0.000 0.501 361 K N 3.071 123.541 120.400 0.117 0.000 2.607 361 K HA 0.514 4.834 4.320 0.000 0.000 0.287 361 K C -1.736 174.855 176.600 -0.015 0.000 0.996 361 K CA -1.158 55.169 56.287 0.068 0.000 0.876 361 K CB 0.585 33.056 32.500 -0.048 0.000 1.496 361 K HN 0.390 nan 8.250 nan 0.000 0.415 362 L N 1.610 122.808 121.223 -0.042 0.000 2.292 362 L HA 0.362 4.702 4.340 0.000 0.000 0.284 362 L C -0.870 175.907 176.870 -0.155 0.000 1.065 362 L CA 0.254 55.000 54.840 -0.156 0.000 0.806 362 L CB 1.180 43.048 42.059 -0.319 0.000 1.175 362 L HN 0.733 nan 8.230 nan 0.000 0.431 363 D N 3.124 123.433 120.400 -0.151 0.000 2.339 363 D HA 0.069 4.709 4.640 0.000 0.000 0.241 363 D C 0.012 176.234 176.300 -0.131 0.000 1.183 363 D CA 0.213 54.170 54.000 -0.071 0.000 0.859 363 D CB 0.453 41.224 40.800 -0.049 0.000 1.067 363 D HN 0.505 nan 8.370 nan 0.000 0.484 364 Y N 2.145 122.415 120.300 -0.049 0.000 2.502 364 Y HA 0.127 4.678 4.550 0.000 0.000 0.295 364 Y C 0.517 176.394 175.900 -0.038 0.000 1.193 364 Y CA -0.070 58.004 58.100 -0.043 0.000 1.295 364 Y CB -0.385 38.045 38.460 -0.049 0.000 1.059 364 Y HN 0.307 nan 8.280 nan 0.000 0.514 365 N N 0.129 118.867 118.700 0.062 0.000 2.508 365 N HA 0.143 4.884 4.740 0.000 0.000 0.285 365 N C -0.426 175.088 175.510 0.006 0.000 1.144 365 N CA -0.469 52.603 53.050 0.037 0.000 0.978 365 N CB 0.352 38.859 38.487 0.034 0.000 1.180 365 N HN 0.142 nan 8.380 nan 0.000 0.484 366 N N -0.125 118.578 118.700 0.006 0.000 2.740 366 N HA -0.188 4.552 4.740 0.000 0.000 0.248 366 N C -1.223 174.273 175.510 -0.024 0.000 1.062 366 N CA 0.064 53.111 53.050 -0.006 0.000 0.704 366 N CB -1.100 37.390 38.487 0.004 0.000 0.968 366 N HN 0.453 nan 8.380 nan 0.000 0.547 367 I N 1.489 122.039 120.570 -0.033 0.000 2.371 367 I HA 0.259 4.430 4.170 0.000 0.000 0.290 367 I C -1.653 174.432 176.117 -0.054 0.000 1.028 367 I CA -1.688 59.583 61.300 -0.050 0.000 1.345 367 I CB 0.720 38.689 38.000 -0.051 0.000 1.407 367 I HN -0.073 nan 8.210 nan 0.000 0.501 368 P HA 0.319 nan 4.420 nan 0.000 0.282 368 P C -1.040 176.217 177.300 -0.071 0.000 1.249 368 P CA -0.340 62.729 63.100 -0.051 0.000 0.806 368 P CB 1.351 33.034 31.700 -0.028 0.000 0.984 369 T N 0.651 115.154 114.554 -0.085 0.000 2.912 369 T HA 0.432 4.782 4.350 0.000 0.000 0.299 369 T C -0.664 173.965 174.700 -0.119 0.000 1.052 369 T CA -0.489 61.545 62.100 -0.111 0.000 0.996 369 T CB 1.489 70.279 68.868 -0.131 0.000 1.070 369 T HN 0.127 nan 8.240 nan 0.000 0.465 370 V N 2.694 122.489 119.914 -0.198 0.000 2.588 370 V HA 0.535 4.655 4.120 0.000 0.000 0.304 370 V C -0.544 175.274 176.094 -0.459 0.000 1.042 370 V CA -0.709 61.376 62.300 -0.357 0.000 0.877 370 V CB 2.072 33.573 31.823 -0.538 0.000 0.996 370 V HN 0.764 nan 8.190 nan 0.000 0.425 371 V N 5.403 125.071 119.914 -0.410 0.000 2.370 371 V HA 0.403 4.523 4.120 0.000 0.000 0.283 371 V C -0.307 175.489 176.094 -0.497 0.000 1.023 371 V CA -0.380 61.742 62.300 -0.297 0.000 0.857 371 V CB 1.378 33.123 31.823 -0.130 0.000 0.985 371 V HN 0.737 nan 8.190 nan 0.000 0.443 372 F N 4.075 123.842 119.950 -0.305 0.000 2.659 372 F HA 0.228 4.755 4.527 0.000 0.000 0.360 372 F C 1.399 176.986 175.800 -0.355 0.000 1.218 372 F CA -0.128 57.486 58.000 -0.643 0.000 1.317 372 F CB -0.186 38.162 39.000 -1.087 0.000 1.697 372 F HN 0.591 nan 8.300 nan 0.000 0.637 373 S N -0.499 115.132 115.700 -0.115 0.000 2.647 373 S HA 0.461 4.931 4.470 0.000 0.000 0.284 373 S C -0.431 174.114 174.600 -0.091 0.000 1.134 373 S CA -0.791 57.380 58.200 -0.048 0.000 1.027 373 S CB 0.903 64.091 63.200 -0.019 0.000 1.180 373 S HN 0.378 nan 8.310 nan 0.000 0.521 374 H N 1.181 120.376 119.070 0.208 0.000 2.991 374 H HA 0.450 5.006 4.556 0.000 0.000 0.304 374 H C -2.797 172.580 175.328 0.081 0.000 1.040 374 H CA -1.436 54.704 56.048 0.155 0.000 1.410 374 H CB 0.871 30.669 29.762 0.061 0.000 1.529 374 H HN 0.438 nan 8.280 nan 0.000 0.509 375 P HA 0.140 nan 4.420 nan 0.000 0.274 375 P C -2.515 174.848 177.300 0.105 0.000 1.246 375 P CA -1.568 61.629 63.100 0.161 0.000 0.795 375 P CB 0.244 32.016 31.700 0.120 0.000 1.006 376 P HA 0.191 nan 4.420 nan 0.000 0.272 376 P C -0.503 176.737 177.300 -0.101 0.000 1.230 376 P CA 0.315 63.369 63.100 -0.077 0.000 0.788 376 P CB 0.591 32.185 31.700 -0.178 0.000 0.949 377 I N 0.560 121.028 120.570 -0.170 0.000 2.493 377 I HA 0.571 4.741 4.170 0.000 0.000 0.298 377 I C 0.773 176.828 176.117 -0.105 0.000 0.998 377 I CA -0.374 60.875 61.300 -0.086 0.000 1.137 377 I CB 2.010 39.981 38.000 -0.048 0.000 1.310 377 I HN 0.355 nan 8.210 nan 0.000 0.445 378 G N 2.409 111.192 108.800 -0.027 0.000 2.617 378 G HA2 0.632 4.593 3.960 0.000 0.000 0.306 378 G HA3 0.632 4.593 3.960 0.000 0.000 0.306 378 G C -1.237 173.682 174.900 0.031 0.000 1.360 378 G CA -0.360 44.722 45.100 -0.030 0.000 0.983 378 G HN 0.484 nan 8.290 nan 0.000 0.496 379 T N -0.502 114.061 114.554 0.015 0.000 2.932 379 T HA 0.659 5.009 4.350 0.000 0.000 0.318 379 T C -1.773 172.894 174.700 -0.055 0.000 1.265 379 T CA -0.459 61.652 62.100 0.018 0.000 1.036 379 T CB 1.947 70.890 68.868 0.124 0.000 1.209 379 T HN 1.301 nan 8.240 nan 0.000 0.484 380 V N 3.569 123.417 119.914 -0.110 0.000 2.924 380 V HA 0.780 4.900 4.120 0.000 0.000 0.300 380 V C 0.213 176.244 176.094 -0.105 0.000 1.227 380 V CA 1.118 63.367 62.300 -0.085 0.000 0.954 380 V CB 1.066 32.863 31.823 -0.044 0.000 1.055 380 V HN 1.902 nan 8.190 nan 0.000 0.429 381 G N 4.805 113.579 108.800 -0.043 0.000 2.615 381 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 381 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 381 G C -0.728 174.204 174.900 0.054 0.000 1.339 381 G CA -0.249 44.847 45.100 -0.007 0.000 0.884 381 G HN 1.328 nan 8.290 nan 0.000 0.559 382 L N 1.351 122.628 121.223 0.091 0.000 2.395 382 L HA 0.518 4.858 4.340 0.000 0.000 0.269 382 L C 1.714 178.733 176.870 0.247 0.000 1.133 382 L CA -0.115 54.806 54.840 0.134 0.000 0.812 382 L CB 0.993 43.138 42.059 0.143 0.000 1.125 382 L HN 1.027 nan 8.230 nan 0.000 0.452 383 T N -2.483 112.143 114.554 0.120 0.000 2.816 383 T HA 0.073 4.423 4.350 0.000 0.000 0.282 383 T C 0.922 175.653 174.700 0.051 0.000 0.993 383 T CA -0.549 61.535 62.100 -0.028 0.000 0.994 383 T CB 1.348 70.123 68.868 -0.154 0.000 1.025 383 T HN 0.768 nan 8.240 nan 0.000 0.529 384 E N 0.204 120.409 120.200 0.008 0.000 2.118 384 E HA -0.232 4.118 4.350 0.000 0.000 0.195 384 E C 1.293 177.918 176.600 0.041 0.000 0.992 384 E CA 1.645 58.068 56.400 0.038 0.000 0.804 384 E CB -0.110 29.596 29.700 0.011 0.000 0.741 384 E HN 0.679 nan 8.360 nan 0.000 0.458 385 D N 0.260 120.669 120.400 0.016 0.000 2.144 385 D HA -0.130 4.510 4.640 0.000 0.000 0.200 385 D C 1.721 178.054 176.300 0.056 0.000 0.978 385 D CA 0.963 54.979 54.000 0.026 0.000 0.833 385 D CB -0.098 40.700 40.800 -0.003 0.000 0.961 385 D HN 0.346 nan 8.370 nan 0.000 0.470 386 E N 0.699 120.927 120.200 0.047 0.000 2.106 386 E HA -0.078 4.272 4.350 0.000 0.000 0.192 386 E C 2.079 178.756 176.600 0.128 0.000 0.984 386 E CA 0.854 57.293 56.400 0.066 0.000 0.806 386 E CB 0.025 29.747 29.700 0.037 0.000 0.750 386 E HN 0.161 nan 8.360 nan 0.000 0.458 387 A N 0.936 123.851 122.820 0.159 0.000 1.930 387 A HA -0.139 4.181 4.320 0.000 0.000 0.217 387 A C 2.139 179.881 177.584 0.263 0.000 1.175 387 A CA 0.911 53.117 52.037 0.282 0.000 0.627 387 A CB -0.449 18.693 19.000 0.238 0.000 0.815 387 A HN 0.140 nan 8.150 nan 0.000 0.443 388 I N -1.077 119.588 120.570 0.158 0.000 2.286 388 I HA -0.244 3.926 4.170 0.000 0.000 0.248 388 I C 2.530 178.705 176.117 0.097 0.000 1.115 388 I CA 1.544 62.915 61.300 0.118 0.000 1.392 388 I CB -0.296 37.751 38.000 0.079 0.000 1.065 388 I HN 0.562 nan 8.210 nan 0.000 0.418 389 H N 1.271 120.346 119.070 0.008 0.000 2.470 389 H HA -0.127 4.429 4.556 0.000 0.000 0.289 389 H C 2.047 177.327 175.328 -0.079 0.000 1.033 389 H CA 1.393 57.425 56.048 -0.027 0.000 1.331 389 H CB 0.319 30.061 29.762 -0.032 0.000 1.414 389 H HN 0.271 nan 8.280 nan 0.000 0.545 390 K N -0.616 119.694 120.400 -0.149 0.000 2.211 390 K HA -0.045 4.275 4.320 0.000 0.000 0.201 390 K C 0.770 177.028 176.600 -0.570 0.000 1.052 390 K CA 0.687 56.718 56.287 -0.426 0.000 0.973 390 K CB 0.292 32.471 32.500 -0.534 0.000 0.766 390 K HN 0.218 nan 8.250 nan 0.000 0.466 391 Y N -0.818 119.456 120.300 -0.043 0.000 2.467 391 Y HA 0.333 4.883 4.550 0.000 0.000 0.259 391 Y C 0.382 176.258 175.900 -0.040 0.000 1.084 391 Y CA -0.039 58.040 58.100 -0.036 0.000 1.275 391 Y CB 1.685 40.136 38.460 -0.016 0.000 1.208 391 Y HN 0.104 nan 8.280 nan 0.000 0.511 392 G N 1.129 109.983 108.800 0.091 0.000 3.055 392 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 392 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 392 G C 0.350 175.283 174.900 0.054 0.000 1.087 392 G CA -0.363 44.763 45.100 0.044 0.000 0.779 392 G HN 0.071 nan 8.290 nan 0.000 0.599 393 I N 1.418 122.008 120.570 0.034 0.000 2.227 393 I HA -0.299 3.871 4.170 0.000 0.000 0.250 393 I C 2.826 178.950 176.117 0.013 0.000 1.087 393 I CA 2.709 64.022 61.300 0.023 0.000 1.352 393 I CB -0.660 37.348 38.000 0.013 0.000 1.043 393 I HN 0.945 nan 8.210 nan 0.000 0.425 394 E N 0.899 121.106 120.200 0.012 0.000 2.204 394 E HA -0.214 4.136 4.350 0.000 0.000 0.195 394 E C 1.019 177.620 176.600 0.002 0.000 0.990 394 E CA 1.191 57.593 56.400 0.004 0.000 0.821 394 E CB -0.393 29.311 29.700 0.005 0.000 0.750 394 E HN 0.559 nan 8.360 nan 0.000 0.477 395 N N 0.817 119.528 118.700 0.018 0.000 2.230 395 N HA 0.113 4.854 4.740 0.000 0.000 0.202 395 N C -0.632 174.862 175.510 -0.027 0.000 1.119 395 N CA 0.087 53.140 53.050 0.005 0.000 0.851 395 N CB 1.561 40.072 38.487 0.041 0.000 0.990 395 N HN -0.015 nan 8.380 nan 0.000 0.497 396 V N 1.189 121.095 119.914 -0.013 0.000 2.417 396 V HA 0.311 4.431 4.120 0.000 0.000 0.291 396 V C -0.068 175.991 176.094 -0.058 0.000 1.024 396 V CA -0.760 61.520 62.300 -0.032 0.000 0.861 396 V CB 2.054 33.890 31.823 0.022 0.000 0.985 396 V HN -0.009 nan 8.190 nan 0.000 0.436 397 K N 3.262 123.611 120.400 -0.085 0.000 2.378 397 K HA 0.762 5.082 4.320 0.000 0.000 0.252 397 K C -0.459 176.037 176.600 -0.172 0.000 0.931 397 K CA -0.280 55.914 56.287 -0.155 0.000 0.794 397 K CB 2.079 34.476 32.500 -0.171 0.000 1.181 397 K HN 0.827 nan 8.250 nan 0.000 0.425 398 T N 0.277 114.681 114.554 -0.250 0.000 2.887 398 T HA 0.548 4.898 4.350 0.000 0.000 0.288 398 T C -1.091 173.419 174.700 -0.316 0.000 1.021 398 T CA -0.607 61.397 62.100 -0.161 0.000 1.000 398 T CB 0.634 69.469 68.868 -0.056 0.000 1.034 398 T HN 0.395 nan 8.240 nan 0.000 0.467 399 Y N 0.898 121.175 120.300 -0.039 0.000 2.462 399 Y HA 0.683 5.234 4.550 0.000 0.000 0.346 399 Y C 0.527 176.417 175.900 -0.017 0.000 0.976 399 Y CA -0.570 57.510 58.100 -0.033 0.000 1.044 399 Y CB 2.599 41.025 38.460 -0.056 0.000 1.230 399 Y HN 1.140 nan 8.280 nan 0.000 0.455 400 S N 0.456 116.246 115.700 0.149 0.000 2.596 400 S HA 0.859 5.330 4.470 0.000 0.000 0.270 400 S C -1.048 173.622 174.600 0.116 0.000 1.155 400 S CA -0.781 57.486 58.200 0.112 0.000 0.827 400 S CB 2.340 65.588 63.200 0.080 0.000 1.130 400 S HN 0.665 nan 8.310 nan 0.000 0.467 401 T N -0.145 114.490 114.554 0.135 0.000 2.821 401 T HA 0.755 5.105 4.350 0.000 0.000 0.306 401 T C -1.799 173.031 174.700 0.216 0.000 1.313 401 T CA -0.330 61.875 62.100 0.175 0.000 1.012 401 T CB 1.764 70.748 68.868 0.194 0.000 1.298 401 T HN 1.115 nan 8.240 nan 0.000 0.502 402 S N 2.070 117.918 115.700 0.247 0.000 2.668 402 S HA 0.795 5.265 4.470 0.000 0.000 0.277 402 S C -1.548 173.224 174.600 0.286 0.000 1.170 402 S CA -0.707 57.602 58.200 0.181 0.000 0.994 402 S CB 0.136 63.390 63.200 0.090 0.000 1.051 402 S HN 0.692 nan 8.310 nan 0.000 0.484 403 F N 0.377 120.368 119.950 0.069 0.000 2.685 403 F HA 0.738 5.265 4.527 0.000 0.000 0.315 403 F C -0.670 175.190 175.800 0.100 0.000 1.126 403 F CA -0.944 57.103 58.000 0.078 0.000 0.950 403 F CB 0.949 39.997 39.000 0.080 0.000 1.360 403 F HN 0.242 nan 8.300 nan 0.000 0.469 404 T N 2.785 117.478 114.554 0.232 0.000 2.743 404 T HA 0.460 4.810 4.350 0.000 0.000 0.292 404 T C -2.649 172.244 174.700 0.323 0.000 0.972 404 T CA -1.079 61.123 62.100 0.169 0.000 0.967 404 T CB 0.826 69.798 68.868 0.174 0.000 0.926 404 T HN 0.327 nan 8.240 nan 0.000 0.459 405 P HA 0.043 nan 4.420 nan 0.000 0.265 405 P C 1.086 178.578 177.300 0.320 0.000 1.187 405 P CA -0.075 63.239 63.100 0.357 0.000 0.766 405 P CB 0.472 32.326 31.700 0.257 0.000 0.820 406 M N 3.251 123.018 119.600 0.278 0.000 2.195 406 M HA -0.256 4.224 4.480 0.000 0.000 0.260 406 M C 1.681 178.080 176.300 0.164 0.000 1.066 406 M CA 1.760 57.174 55.300 0.190 0.000 1.089 406 M CB -0.527 32.156 32.600 0.139 0.000 1.377 406 M HN 0.412 nan 8.290 nan 0.000 0.411 407 Y N -0.081 120.250 120.300 0.053 0.000 2.256 407 Y HA -0.286 4.265 4.550 0.000 0.000 0.288 407 Y C 1.687 177.599 175.900 0.019 0.000 1.155 407 Y CA 1.887 59.991 58.100 0.006 0.000 1.203 407 Y CB -0.317 38.059 38.460 -0.139 0.000 0.980 407 Y HN 0.349 nan 8.280 nan 0.000 0.530 408 H N -0.495 118.663 119.070 0.147 0.000 2.526 408 H HA 0.336 4.892 4.556 0.000 0.000 0.274 408 H C 2.063 177.384 175.328 -0.012 0.000 0.999 408 H CA 0.461 56.540 56.048 0.053 0.000 1.157 408 H CB -0.111 29.755 29.762 0.173 0.000 1.407 408 H HN 0.516 nan 8.280 nan 0.000 0.568 409 A N 0.961 123.822 122.820 0.069 0.000 2.070 409 A HA -0.085 4.235 4.320 0.000 0.000 0.220 409 A C 2.057 179.610 177.584 -0.052 0.000 1.159 409 A CA 1.676 53.731 52.037 0.029 0.000 0.656 409 A CB -0.333 18.683 19.000 0.028 0.000 0.800 409 A HN 0.269 nan 8.150 nan 0.000 0.453 410 V N -2.976 116.843 119.914 -0.159 0.000 3.276 410 V HA 0.280 4.400 4.120 0.000 0.000 0.319 410 V C 0.416 176.351 176.094 -0.264 0.000 1.427 410 V CA 0.455 62.600 62.300 -0.258 0.000 1.102 410 V CB -0.839 30.714 31.823 -0.450 0.000 1.020 410 V HN 0.477 nan 8.190 nan 0.000 0.456 411 T N -3.081 111.396 114.554 -0.129 0.000 2.918 411 T HA 0.519 4.869 4.350 0.000 0.000 0.286 411 T C 0.474 175.188 174.700 0.023 0.000 1.026 411 T CA -0.507 61.578 62.100 -0.026 0.000 1.031 411 T CB 2.505 71.454 68.868 0.135 0.000 1.046 411 T HN 0.146 nan 8.240 nan 0.000 0.479 412 K N -0.102 120.316 120.400 0.030 0.000 2.167 412 K HA 0.094 4.414 4.320 0.000 0.000 0.203 412 K C 1.317 177.926 176.600 0.014 0.000 1.052 412 K CA 0.352 56.649 56.287 0.016 0.000 0.956 412 K CB 0.130 32.639 32.500 0.015 0.000 0.735 412 K HN 0.488 nan 8.250 nan 0.000 0.451 413 R N 1.731 122.260 120.500 0.049 0.000 2.441 413 R HA 0.072 4.412 4.340 0.000 0.000 0.284 413 R C -0.815 175.411 176.300 -0.123 0.000 1.070 413 R CA 0.091 56.201 56.100 0.016 0.000 1.047 413 R CB 0.523 30.889 30.300 0.111 0.000 1.016 413 R HN -0.169 nan 8.270 nan 0.000 0.477 414 K N 2.435 122.686 120.400 -0.249 0.000 2.477 414 K HA 0.352 4.672 4.320 0.000 0.000 0.255 414 K C -0.936 175.421 176.600 -0.404 0.000 0.952 414 K CA -0.799 55.168 56.287 -0.533 0.000 0.826 414 K CB 2.277 34.637 32.500 -0.232 0.000 1.331 414 K HN 0.861 nan 8.250 nan 0.000 0.437 415 T N -1.958 112.327 114.554 -0.448 0.000 2.883 415 T HA 0.536 4.886 4.350 0.000 0.000 0.296 415 T C -0.527 174.168 174.700 -0.008 0.000 1.117 415 T CA -0.893 61.161 62.100 -0.077 0.000 1.006 415 T CB 2.643 71.584 68.868 0.122 0.000 1.191 415 T HN 0.467 nan 8.240 nan 0.000 0.508 416 K N -0.577 119.812 120.400 -0.017 0.000 2.258 416 K HA 0.704 5.024 4.320 0.000 0.000 0.236 416 K C -1.405 175.106 176.600 -0.148 0.000 1.008 416 K CA -0.963 55.280 56.287 -0.074 0.000 0.869 416 K CB 1.925 34.388 32.500 -0.062 0.000 1.171 416 K HN 0.807 nan 8.250 nan 0.000 0.447 417 C N 3.052 122.132 119.300 -0.366 0.000 2.397 417 C HA 0.656 5.117 4.460 0.000 0.000 0.325 417 C C -1.143 173.619 174.990 -0.379 0.000 1.201 417 C CA -0.446 58.283 59.018 -0.481 0.000 1.377 417 C CB -0.075 27.064 27.740 -1.002 0.000 2.038 417 C HN 0.506 nan 8.230 nan 0.000 0.457 418 V N 5.033 124.867 119.914 -0.134 0.000 2.604 418 V HA 0.805 4.925 4.120 0.000 0.000 0.305 418 V C -0.634 175.487 176.094 0.046 0.000 1.043 418 V CA -0.640 61.651 62.300 -0.016 0.000 0.888 418 V CB 1.681 33.506 31.823 0.004 0.000 0.995 418 V HN 0.932 nan 8.190 nan 0.000 0.429 419 M N 3.851 123.510 119.600 0.098 0.000 2.386 419 M HA 0.644 5.124 4.480 0.000 0.000 0.293 419 M C -0.992 175.358 176.300 0.084 0.000 1.120 419 M CA -0.512 54.841 55.300 0.089 0.000 0.909 419 M CB 2.861 35.527 32.600 0.111 0.000 1.661 419 M HN 0.858 nan 8.290 nan 0.000 0.452 420 K N 3.103 123.547 120.400 0.072 0.000 2.513 420 K HA 0.685 5.005 4.320 0.000 0.000 0.251 420 K C -1.908 174.715 176.600 0.038 0.000 0.939 420 K CA -0.523 55.816 56.287 0.087 0.000 0.793 420 K CB 2.430 35.012 32.500 0.138 0.000 1.241 420 K HN 0.856 nan 8.250 nan 0.000 0.431 421 M N 5.363 124.978 119.600 0.025 0.000 2.243 421 M HA 0.387 4.867 4.480 0.000 0.000 0.324 421 M C -1.601 174.711 176.300 0.020 0.000 1.031 421 M CA -0.866 54.400 55.300 -0.056 0.000 0.949 421 M CB 1.625 34.141 32.600 -0.141 0.000 1.615 421 M HN 0.392 nan 8.290 nan 0.000 0.430 422 V N 4.861 124.765 119.914 -0.017 0.000 2.370 422 V HA 0.427 4.547 4.120 0.000 0.000 0.283 422 V C -0.479 175.593 176.094 -0.037 0.000 1.023 422 V CA -0.610 61.698 62.300 0.013 0.000 0.857 422 V CB 0.942 32.806 31.823 0.069 0.000 0.985 422 V HN 0.970 nan 8.190 nan 0.000 0.443 423 C N 3.991 123.275 119.300 -0.028 0.000 2.435 423 C HA 0.959 5.419 4.460 0.000 0.000 0.333 423 C C 0.581 175.489 174.990 -0.137 0.000 1.202 423 C CA -0.623 58.354 59.018 -0.067 0.000 1.830 423 C CB 1.119 28.874 27.740 0.024 0.000 2.326 423 C HN 1.009 nan 8.230 nan 0.000 0.507 424 A N 2.791 125.467 122.820 -0.239 0.000 2.413 424 A HA 0.864 5.184 4.320 0.000 0.000 0.307 424 A C -0.377 177.043 177.584 -0.274 0.000 1.087 424 A CA -0.391 51.410 52.037 -0.392 0.000 0.750 424 A CB 0.493 18.891 19.000 -1.004 0.000 1.296 424 A HN 1.142 nan 8.150 nan 0.000 0.423 425 N N -0.199 118.378 118.700 -0.205 0.000 6.190 425 N HA -0.199 4.542 4.740 0.000 0.000 0.396 425 N C 0.793 176.266 175.510 -0.062 0.000 1.008 425 N CA 0.753 53.741 53.050 -0.103 0.000 2.116 425 N CB -0.043 38.387 38.487 -0.096 0.000 0.691 425 N HN 0.868 nan 8.380 nan 0.000 0.575 426 K N 1.433 121.813 120.400 -0.033 0.000 2.147 426 K HA -0.193 4.127 4.320 0.000 0.000 0.205 426 K C 1.147 177.739 176.600 -0.014 0.000 1.049 426 K CA 1.976 58.252 56.287 -0.017 0.000 0.936 426 K CB -0.074 32.422 32.500 -0.008 0.000 0.722 426 K HN 0.619 nan 8.250 nan 0.000 0.446 427 E N 1.088 121.275 120.200 -0.021 0.000 2.347 427 E HA -0.139 4.211 4.350 0.000 0.000 0.196 427 E C -0.304 176.284 176.600 -0.021 0.000 1.008 427 E CA 0.427 56.817 56.400 -0.016 0.000 0.852 427 E CB -0.425 29.265 29.700 -0.016 0.000 0.783 427 E HN 0.398 nan 8.360 nan 0.000 0.505 428 E N 0.968 121.147 120.200 -0.037 0.000 2.287 428 E HA -0.185 4.165 4.350 0.000 0.000 0.229 428 E C -0.468 176.094 176.600 -0.062 0.000 1.194 428 E CA 0.468 56.847 56.400 -0.036 0.000 0.704 428 E CB -1.381 28.326 29.700 0.010 0.000 1.216 428 E HN 0.251 nan 8.360 nan 0.000 0.381 429 K N 0.718 121.065 120.400 -0.089 0.000 2.412 429 K HA 0.173 4.493 4.320 0.000 0.000 0.281 429 K C -0.029 176.507 176.600 -0.107 0.000 1.027 429 K CA -0.229 56.009 56.287 -0.081 0.000 0.989 429 K CB 0.788 33.234 32.500 -0.090 0.000 0.935 429 K HN -0.001 nan 8.250 nan 0.000 0.475 430 V N 6.860 126.717 119.914 -0.096 0.000 2.397 430 V HA -0.017 4.103 4.120 0.000 0.000 0.262 430 V C 0.988 177.035 176.094 -0.078 0.000 1.047 430 V CA -0.103 62.109 62.300 -0.146 0.000 1.003 430 V CB 0.561 32.227 31.823 -0.262 0.000 1.037 430 V HN 0.774 nan 8.190 nan 0.000 0.480 431 V N 1.952 121.821 119.914 -0.075 0.000 3.621 431 V HA 0.664 4.784 4.120 0.000 0.000 0.285 431 V C 0.768 176.855 176.094 -0.012 0.000 1.346 431 V CA 0.628 62.919 62.300 -0.014 0.000 1.104 431 V CB 0.093 31.929 31.823 0.022 0.000 0.913 431 V HN 0.814 nan 8.190 nan 0.000 0.432 432 G N 0.104 108.857 108.800 -0.078 0.000 2.752 432 G HA2 0.672 4.632 3.960 0.000 0.000 0.298 432 G HA3 0.672 4.632 3.960 0.000 0.000 0.298 432 G C -1.649 173.029 174.900 -0.371 0.000 1.434 432 G CA -0.591 44.403 45.100 -0.176 0.000 1.004 432 G HN 0.157 nan 8.290 nan 0.000 0.560 433 I N 2.521 122.737 120.570 -0.591 0.000 2.499 433 I HA 0.452 4.622 4.170 0.000 0.000 0.288 433 I C -0.948 174.740 176.117 -0.716 0.000 1.048 433 I CA -0.895 60.099 61.300 -0.510 0.000 1.062 433 I CB 2.378 40.220 38.000 -0.263 0.000 1.238 433 I HN 0.436 nan 8.210 nan 0.000 0.426 434 H N 7.816 126.870 119.070 -0.028 0.000 2.759 434 H HA 0.743 5.299 4.556 0.000 0.000 0.354 434 H C -0.858 174.472 175.328 0.003 0.000 1.074 434 H CA -0.766 55.282 56.048 0.000 0.000 1.226 434 H CB 2.256 32.029 29.762 0.019 0.000 1.648 434 H HN 0.585 nan 8.280 nan 0.000 0.529 435 M N 0.949 120.615 119.600 0.110 0.000 2.682 435 M HA 0.484 4.964 4.480 0.000 0.000 0.272 435 M C -1.837 174.491 176.300 0.046 0.000 1.232 435 M CA -0.923 54.415 55.300 0.064 0.000 0.849 435 M CB 3.563 36.182 32.600 0.032 0.000 1.695 435 M HN 0.463 nan 8.290 nan 0.000 0.481 436 Q N 0.696 120.509 119.800 0.023 0.000 2.284 436 Q HA 0.793 5.133 4.340 0.000 0.000 0.269 436 Q C -1.294 174.701 176.000 -0.009 0.000 1.026 436 Q CA -0.139 55.667 55.803 0.006 0.000 0.831 436 Q CB 2.818 31.557 28.738 0.002 0.000 1.322 436 Q HN 1.283 nan 8.270 nan 0.000 0.419 437 G N 1.748 110.555 108.800 0.012 0.000 2.336 437 G HA2 0.158 4.118 3.960 0.000 0.000 0.300 437 G HA3 0.158 4.118 3.960 0.000 0.000 0.300 437 G C -1.630 173.312 174.900 0.071 0.000 1.375 437 G CA -1.105 44.004 45.100 0.015 0.000 0.885 437 G HN 0.601 nan 8.290 nan 0.000 0.599 438 L N 1.160 122.438 121.223 0.092 0.000 2.540 438 L HA 0.336 4.676 4.340 0.000 0.000 0.276 438 L C 1.811 178.755 176.870 0.122 0.000 1.212 438 L CA 1.783 56.694 54.840 0.118 0.000 0.893 438 L CB 0.577 42.687 42.059 0.085 0.000 1.138 438 L HN 2.013 nan 8.230 nan 0.000 0.491 439 G N 1.683 110.571 108.800 0.147 0.000 2.234 439 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 439 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 439 G C 0.887 175.859 174.900 0.119 0.000 0.987 439 G CA 0.259 45.441 45.100 0.138 0.000 0.625 439 G HN 0.718 nan 8.290 nan 0.000 0.532 440 C N 2.098 121.455 119.300 0.096 0.000 2.422 440 C HA 0.028 4.488 4.460 0.000 0.000 0.286 440 C C 2.656 177.651 174.990 0.008 0.000 1.412 440 C CA 1.341 60.396 59.018 0.062 0.000 1.786 440 C CB -0.817 26.942 27.740 0.032 0.000 1.835 440 C HN 0.777 nan 8.230 nan 0.000 0.533 441 D N 0.819 121.209 120.400 -0.018 0.000 2.144 441 D HA -0.132 4.508 4.640 0.000 0.000 0.200 441 D C 1.543 177.845 176.300 0.004 0.000 0.978 441 D CA 1.227 55.162 54.000 -0.108 0.000 0.833 441 D CB -0.518 40.203 40.800 -0.130 0.000 0.961 441 D HN 0.434 nan 8.370 nan 0.000 0.470 442 E N -0.460 119.781 120.200 0.068 0.000 2.472 442 E HA 0.111 4.462 4.350 0.000 0.000 0.196 442 E C 1.872 178.512 176.600 0.067 0.000 1.033 442 E CA -0.166 56.277 56.400 0.072 0.000 0.886 442 E CB 0.270 30.022 29.700 0.087 0.000 0.944 442 E HN 0.374 nan 8.360 nan 0.000 0.492 443 M N 0.288 119.946 119.600 0.096 0.000 2.288 443 M HA -0.058 4.423 4.480 0.000 0.000 0.266 443 M C 1.956 178.389 176.300 0.222 0.000 1.072 443 M CA 0.587 55.983 55.300 0.160 0.000 1.132 443 M CB 0.166 32.894 32.600 0.213 0.000 1.386 443 M HN 0.099 nan 8.290 nan 0.000 0.432 444 L N 0.783 122.103 121.223 0.163 0.000 2.027 444 L HA -0.209 4.131 4.340 0.000 0.000 0.206 444 L C 2.308 179.253 176.870 0.125 0.000 1.074 444 L CA 1.945 56.892 54.840 0.179 0.000 0.745 444 L CB -0.857 41.244 42.059 0.070 0.000 0.898 444 L HN 0.319 nan 8.230 nan 0.000 0.433 445 Q N -0.241 119.585 119.800 0.044 0.000 2.082 445 Q HA -0.218 4.122 4.340 0.000 0.000 0.211 445 Q C 2.107 178.087 176.000 -0.033 0.000 1.002 445 Q CA 2.528 58.333 55.803 0.003 0.000 0.868 445 Q CB -1.145 27.586 28.738 -0.012 0.000 0.931 445 Q HN 0.567 nan 8.270 nan 0.000 0.414 446 G N -1.365 107.366 108.800 -0.115 0.000 2.418 446 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 446 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 446 G C 1.169 175.924 174.900 -0.241 0.000 1.158 446 G CA 0.819 45.779 45.100 -0.234 0.000 0.771 446 G HN 0.434 nan 8.290 nan 0.000 0.545 447 F N 1.567 121.497 119.950 -0.033 0.000 2.293 447 F HA 0.071 4.598 4.527 0.000 0.000 0.300 447 F C 3.007 178.825 175.800 0.029 0.000 1.086 447 F CA 0.606 58.604 58.000 -0.002 0.000 1.375 447 F CB 0.031 39.080 39.000 0.082 0.000 1.045 447 F HN 0.238 nan 8.300 nan 0.000 0.516 448 A N -0.114 122.802 122.820 0.159 0.000 1.933 448 A HA -0.113 4.207 4.320 0.000 0.000 0.218 448 A C 2.299 179.911 177.584 0.047 0.000 1.175 448 A CA 1.684 53.773 52.037 0.087 0.000 0.628 448 A CB -1.097 17.928 19.000 0.041 0.000 0.814 448 A HN 0.172 nan 8.150 nan 0.000 0.444 449 V N -0.130 119.789 119.914 0.009 0.000 2.295 449 V HA -0.242 3.879 4.120 0.000 0.000 0.246 449 V C 3.062 179.156 176.094 0.000 0.000 1.049 449 V CA 1.902 64.192 62.300 -0.016 0.000 1.024 449 V CB -1.275 30.515 31.823 -0.054 0.000 0.648 449 V HN 0.610 nan 8.190 nan 0.000 0.447 450 A N -0.160 122.662 122.820 0.004 0.000 1.883 450 A HA -0.177 4.143 4.320 0.000 0.000 0.217 450 A C 2.390 180.046 177.584 0.119 0.000 1.186 450 A CA 2.206 54.261 52.037 0.030 0.000 0.624 450 A CB -0.762 18.220 19.000 -0.030 0.000 0.822 450 A HN 0.336 nan 8.150 nan 0.000 0.444 451 V N 0.130 120.142 119.914 0.163 0.000 2.407 451 V HA -0.223 3.897 4.120 0.000 0.000 0.248 451 V C 2.550 178.688 176.094 0.074 0.000 1.055 451 V CA 2.388 64.771 62.300 0.139 0.000 1.049 451 V CB -0.599 31.294 31.823 0.117 0.000 0.662 451 V HN 0.642 nan 8.190 nan 0.000 0.455 452 K N 0.204 120.634 120.400 0.049 0.000 2.147 452 K HA -0.068 4.252 4.320 0.000 0.000 0.205 452 K C 1.913 178.526 176.600 0.023 0.000 1.049 452 K CA 1.626 57.927 56.287 0.024 0.000 0.936 452 K CB -0.309 32.194 32.500 0.005 0.000 0.722 452 K HN 0.406 nan 8.250 nan 0.000 0.446 453 M N -1.044 118.573 119.600 0.028 0.000 2.562 453 M HA 0.105 4.585 4.480 0.000 0.000 0.257 453 M C 0.645 176.965 176.300 0.033 0.000 1.099 453 M CA 0.959 56.272 55.300 0.022 0.000 1.099 453 M CB 0.288 32.895 32.600 0.012 0.000 1.427 453 M HN 0.406 nan 8.290 nan 0.000 0.489 454 G N 1.264 110.094 108.800 0.050 0.000 2.203 454 G HA2 -0.119 3.842 3.960 0.000 0.000 0.231 454 G HA3 -0.119 3.842 3.960 0.000 0.000 0.231 454 G C 0.047 174.986 174.900 0.066 0.000 1.058 454 G CA -0.083 45.047 45.100 0.051 0.000 0.781 454 G HN 0.684 nan 8.290 nan 0.000 0.496 455 A N -0.064 122.824 122.820 0.113 0.000 2.466 455 A HA 0.781 5.101 4.320 0.000 0.000 0.238 455 A C 1.078 178.744 177.584 0.137 0.000 1.074 455 A CA 1.240 53.375 52.037 0.164 0.000 0.774 455 A CB 0.350 19.538 19.000 0.314 0.000 1.015 455 A HN 1.965 nan 8.150 nan 0.000 0.498 456 T N -1.337 113.292 114.554 0.125 0.000 2.949 456 T HA 0.473 4.823 4.350 0.000 0.000 0.287 456 T C 0.844 175.580 174.700 0.060 0.000 1.034 456 T CA -0.315 61.815 62.100 0.049 0.000 1.018 456 T CB 1.287 70.171 68.868 0.027 0.000 1.135 456 T HN 0.553 nan 8.240 nan 0.000 0.532 457 K N 0.729 121.098 120.400 -0.053 0.000 2.152 457 K HA 0.014 4.334 4.320 0.000 0.000 0.206 457 K C 2.294 178.897 176.600 0.006 0.000 1.048 457 K CA 1.842 58.056 56.287 -0.122 0.000 0.933 457 K CB -1.089 31.294 32.500 -0.195 0.000 0.721 457 K HN 0.721 nan 8.250 nan 0.000 0.447 458 A N 0.951 123.784 122.820 0.022 0.000 1.933 458 A HA -0.187 4.134 4.320 0.000 0.000 0.218 458 A C 1.732 179.363 177.584 0.078 0.000 1.175 458 A CA 1.981 54.038 52.037 0.035 0.000 0.628 458 A CB -0.608 18.405 19.000 0.022 0.000 0.814 458 A HN 0.440 nan 8.150 nan 0.000 0.444 459 D N -0.967 119.508 120.400 0.126 0.000 2.117 459 D HA -0.111 4.529 4.640 0.000 0.000 0.198 459 D C 1.599 177.985 176.300 0.143 0.000 0.982 459 D CA 1.095 55.167 54.000 0.120 0.000 0.828 459 D CB -0.330 40.550 40.800 0.134 0.000 0.967 459 D HN 0.450 nan 8.370 nan 0.000 0.464 460 F N 1.745 121.694 119.950 -0.003 0.000 2.113 460 F HA -0.118 4.409 4.527 0.000 0.000 0.297 460 F C 2.179 177.975 175.800 -0.006 0.000 1.103 460 F CA 0.949 58.959 58.000 0.017 0.000 1.248 460 F CB -0.410 38.587 39.000 -0.005 0.000 0.999 460 F HN -0.158 nan 8.300 nan 0.000 0.475 461 D N -0.457 120.043 120.400 0.166 0.000 2.218 461 D HA -0.134 4.506 4.640 0.000 0.000 0.204 461 D C 1.409 177.730 176.300 0.035 0.000 0.976 461 D CA 0.930 54.966 54.000 0.060 0.000 0.853 461 D CB -0.444 40.359 40.800 0.006 0.000 0.939 461 D HN 0.219 nan 8.370 nan 0.000 0.481 462 N N -0.063 118.658 118.700 0.035 0.000 2.314 462 N HA 0.004 4.744 4.740 0.000 0.000 0.200 462 N C -0.400 175.108 175.510 -0.002 0.000 1.135 462 N CA 0.267 53.324 53.050 0.011 0.000 0.835 462 N CB 0.570 39.063 38.487 0.009 0.000 0.989 462 N HN 0.012 nan 8.380 nan 0.000 0.478 463 T N 0.708 115.260 114.554 -0.003 0.000 2.767 463 T HA 0.293 4.643 4.350 0.000 0.000 0.284 463 T C 0.506 175.200 174.700 -0.010 0.000 0.973 463 T CA -0.444 61.640 62.100 -0.026 0.000 0.996 463 T CB 2.263 71.092 68.868 -0.065 0.000 0.927 463 T HN -0.255 nan 8.240 nan 0.000 0.456 464 V N 3.339 123.244 119.914 -0.015 0.000 2.673 464 V HA 0.341 4.461 4.120 0.000 0.000 0.303 464 V C 0.983 177.079 176.094 0.003 0.000 1.046 464 V CA -0.451 61.845 62.300 -0.006 0.000 1.126 464 V CB 0.349 32.167 31.823 -0.009 0.000 0.934 464 V HN 1.090 nan 8.190 nan 0.000 0.487 465 A N 6.134 128.963 122.820 0.015 0.000 2.366 465 A HA 0.648 4.968 4.320 0.000 0.000 0.249 465 A C -0.275 177.338 177.584 0.049 0.000 1.084 465 A CA -0.344 51.715 52.037 0.037 0.000 0.794 465 A CB 0.139 19.160 19.000 0.037 0.000 1.034 465 A HN 0.745 nan 8.150 nan 0.000 0.491 466 I N 0.958 121.569 120.570 0.069 0.000 2.362 466 I HA 0.312 4.482 4.170 0.000 0.000 0.289 466 I C -0.355 175.838 176.117 0.127 0.000 0.994 466 I CA -0.105 61.239 61.300 0.074 0.000 1.158 466 I CB 1.332 39.358 38.000 0.043 0.000 1.315 466 I HN 0.814 nan 8.210 nan 0.000 0.451 467 H N 7.409 126.486 119.070 0.012 0.000 2.538 467 H HA 0.643 5.199 4.556 0.000 0.000 0.353 467 H C -2.565 172.773 175.328 0.017 0.000 1.109 467 H CA -1.717 54.339 56.048 0.013 0.000 1.192 467 H CB 1.820 31.584 29.762 0.005 0.000 1.555 467 H HN 0.317 nan 8.280 nan 0.000 0.518 468 P HA 0.324 nan 4.420 nan 0.000 0.301 468 P C -1.261 175.953 177.300 -0.144 0.000 1.348 468 P CA -0.599 62.145 63.100 -0.592 0.000 0.826 468 P CB 1.516 32.789 31.700 -0.713 0.000 0.945 469 T N -2.051 112.495 114.554 -0.012 0.000 2.787 469 T HA 0.392 4.742 4.350 0.000 0.000 0.297 469 T C 0.683 175.451 174.700 0.112 0.000 1.221 469 T CA -0.488 61.648 62.100 0.060 0.000 1.006 469 T CB 1.078 69.990 68.868 0.073 0.000 1.328 469 T HN -0.022 nan 8.240 nan 0.000 0.509 470 S N 0.391 116.197 115.700 0.177 0.000 2.439 470 S HA -0.001 4.470 4.470 0.000 0.000 0.224 470 S C 2.305 177.046 174.600 0.235 0.000 1.029 470 S CA 1.046 59.417 58.200 0.286 0.000 0.946 470 S CB -0.498 62.927 63.200 0.374 0.000 0.797 470 S HN 0.930 nan 8.310 nan 0.000 0.504 471 S N 2.693 118.518 115.700 0.208 0.000 2.419 471 S HA -0.218 4.252 4.470 0.000 0.000 0.235 471 S C 1.694 176.427 174.600 0.222 0.000 1.019 471 S CA 1.367 59.715 58.200 0.247 0.000 0.982 471 S CB -0.672 62.686 63.200 0.264 0.000 0.789 471 S HN 0.796 nan 8.310 nan 0.000 0.490 472 E N 1.040 121.328 120.200 0.147 0.000 2.333 472 E HA -0.158 4.192 4.350 0.000 0.000 0.198 472 E C 1.524 178.163 176.600 0.064 0.000 1.007 472 E CA 0.995 57.462 56.400 0.112 0.000 0.845 472 E CB -0.285 29.474 29.700 0.099 0.000 0.766 472 E HN 0.455 nan 8.360 nan 0.000 0.507 473 E N 1.136 121.350 120.200 0.022 0.000 2.153 473 E HA -0.095 4.255 4.350 0.000 0.000 0.194 473 E C 2.129 178.736 176.600 0.012 0.000 0.988 473 E CA 0.608 56.982 56.400 -0.043 0.000 0.811 473 E CB -0.150 29.480 29.700 -0.116 0.000 0.746 473 E HN 0.440 nan 8.360 nan 0.000 0.466 474 L N 0.781 122.029 121.223 0.042 0.000 2.291 474 L HA -0.077 4.263 4.340 0.000 0.000 0.214 474 L C 1.973 178.920 176.870 0.130 0.000 1.120 474 L CA 0.694 55.533 54.840 -0.002 0.000 0.799 474 L CB 0.034 41.944 42.059 -0.248 0.000 0.925 474 L HN 0.039 nan 8.230 nan 0.000 0.446 475 V N -5.108 114.903 119.914 0.161 0.000 3.542 475 V HA 0.121 4.241 4.120 0.000 0.000 0.296 475 V C 1.206 177.342 176.094 0.070 0.000 1.364 475 V CA 0.629 63.037 62.300 0.180 0.000 1.118 475 V CB -0.215 31.704 31.823 0.161 0.000 0.972 475 V HN 0.413 nan 8.190 nan 0.000 0.430 476 T N -2.024 112.543 114.554 0.022 0.000 3.393 476 T HA 0.482 4.832 4.350 0.000 0.000 0.298 476 T C 0.047 174.722 174.700 -0.041 0.000 1.004 476 T CA -0.262 61.828 62.100 -0.017 0.000 0.956 476 T CB -0.295 68.560 68.868 -0.023 0.000 1.182 476 T HN 0.294 nan 8.240 nan 0.000 0.497 477 L N 1.623 122.804 121.223 -0.069 0.000 2.397 477 L HA 0.597 4.938 4.340 0.000 0.000 0.271 477 L C 0.759 177.557 176.870 -0.120 0.000 1.148 477 L CA -0.438 54.353 54.840 -0.082 0.000 0.825 477 L CB 0.750 42.734 42.059 -0.126 0.000 1.117 477 L HN 0.222 nan 8.230 nan 0.000 0.456 478 R N 0.000 120.506 120.500 0.010 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.145 56.100 0.075 0.000 0.921 478 R CB 0.000 30.322 30.300 0.036 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535