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 1gra_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 0.000 176.048 176.094 -0.077 0.000 1.182 18 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 18 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 19 A N 2.737 125.494 122.820 -0.105 0.000 2.362 19 A HA 0.804 5.124 4.320 0.000 0.000 0.276 19 A C 0.341 177.939 177.584 0.024 0.000 1.153 19 A CA 0.075 52.080 52.037 -0.052 0.000 0.813 19 A CB 1.156 20.159 19.000 0.006 0.000 1.081 19 A HN 0.978 nan 8.150 nan 0.000 0.507 20 S N 1.381 117.029 115.700 -0.086 0.000 2.525 20 S HA 0.758 5.228 4.470 0.000 0.000 0.290 20 S C -1.035 173.442 174.600 -0.205 0.000 1.152 20 S CA -0.267 57.922 58.200 -0.018 0.000 1.072 20 S CB 0.242 63.441 63.200 -0.002 0.000 1.027 20 S HN 0.504 nan 8.310 nan 0.000 0.500 21 Y N 0.824 121.202 120.300 0.131 0.000 2.665 21 Y HA 0.401 4.951 4.550 0.000 0.000 0.336 21 Y C 0.999 177.003 175.900 0.174 0.000 1.085 21 Y CA -0.872 57.309 58.100 0.135 0.000 1.096 21 Y CB 1.030 39.568 38.460 0.130 0.000 1.301 21 Y HN 0.539 nan 8.280 nan 0.000 0.493 22 D N -0.449 120.178 120.400 0.377 0.000 2.213 22 D HA -0.057 4.583 4.640 0.000 0.000 0.205 22 D C -0.809 175.847 176.300 0.594 0.000 0.961 22 D CA 1.634 55.871 54.000 0.395 0.000 0.853 22 D CB 0.423 41.377 40.800 0.256 0.000 0.967 22 D HN 0.251 nan 8.370 nan 0.000 0.496 23 Y N 0.386 120.861 120.300 0.292 0.000 2.401 23 Y HA 0.408 4.958 4.550 0.000 0.000 0.330 23 Y C -1.581 174.393 175.900 0.124 0.000 1.071 23 Y CA -0.988 57.278 58.100 0.277 0.000 1.049 23 Y CB 0.876 39.406 38.460 0.117 0.000 1.239 23 Y HN -0.281 nan 8.280 nan 0.000 0.437 24 L N 6.371 127.606 121.223 0.020 0.000 2.313 24 L HA 0.696 5.036 4.340 0.000 0.000 0.283 24 L C -1.081 175.577 176.870 -0.353 0.000 1.013 24 L CA -1.064 53.662 54.840 -0.189 0.000 0.816 24 L CB 1.644 43.668 42.059 -0.057 0.000 1.236 24 L HN 0.410 nan 8.230 nan 0.000 0.419 25 V N 5.637 125.312 119.914 -0.400 0.000 2.378 25 V HA 0.380 4.500 4.120 0.000 0.000 0.288 25 V C 0.135 176.081 176.094 -0.248 0.000 1.016 25 V CA -0.397 61.688 62.300 -0.359 0.000 0.840 25 V CB 1.781 33.373 31.823 -0.386 0.000 0.994 25 V HN 0.505 nan 8.190 nan 0.000 0.431 26 I N 4.975 125.435 120.570 -0.184 0.000 2.291 26 I HA 0.680 4.850 4.170 0.000 0.000 0.290 26 I C 0.772 176.817 176.117 -0.121 0.000 1.050 26 I CA 0.064 61.259 61.300 -0.175 0.000 1.245 26 I CB 0.866 38.755 38.000 -0.185 0.000 1.405 26 I HN 0.852 nan 8.210 nan 0.000 0.478 27 G N 3.607 112.334 108.800 -0.123 0.000 3.187 27 G HA2 0.042 4.002 3.960 0.000 0.000 0.682 27 G HA3 0.042 4.002 3.960 0.000 0.000 0.682 27 G C -0.107 174.742 174.900 -0.085 0.000 1.266 27 G CA -0.567 44.486 45.100 -0.079 0.000 0.902 27 G HN 0.898 nan 8.290 nan 0.000 0.589 28 G N 0.609 109.364 108.800 -0.074 0.000 4.294 28 G HA2 0.678 4.638 3.960 0.000 0.000 0.301 28 G HA3 0.678 4.638 3.960 0.000 0.000 0.301 28 G C 0.788 175.631 174.900 -0.095 0.000 1.321 28 G CA 0.897 45.947 45.100 -0.084 0.000 1.190 28 G HN 1.247 nan 8.290 nan 0.000 0.600 29 G N -0.080 108.668 108.800 -0.087 0.000 2.736 29 G HA2 0.402 4.362 3.960 0.000 0.000 0.229 29 G HA3 0.402 4.362 3.960 0.000 0.000 0.229 29 G C 1.204 176.030 174.900 -0.123 0.000 1.380 29 G CA 0.340 45.376 45.100 -0.106 0.000 1.040 29 G HN 0.153 nan 8.290 nan 0.000 0.568 30 S N -0.219 115.414 115.700 -0.113 0.000 2.368 30 S HA -0.165 4.305 4.470 0.000 0.000 0.226 30 S C 2.451 177.017 174.600 -0.057 0.000 1.044 30 S CA 1.923 60.062 58.200 -0.102 0.000 1.062 30 S CB -0.775 62.388 63.200 -0.063 0.000 0.931 30 S HN 0.800 nan 8.310 nan 0.000 0.440 31 G N 0.829 109.614 108.800 -0.025 0.000 2.394 31 G HA2 0.059 4.019 3.960 0.000 0.000 0.215 31 G HA3 0.059 4.019 3.960 0.000 0.000 0.215 31 G C 1.437 176.338 174.900 0.001 0.000 1.165 31 G CA 0.841 45.944 45.100 0.004 0.000 0.784 31 G HN 0.570 nan 8.290 nan 0.000 0.535 32 G N 0.992 109.777 108.800 -0.024 0.000 2.421 32 G HA2 -0.145 3.815 3.960 0.000 0.000 0.216 32 G HA3 -0.145 3.815 3.960 0.000 0.000 0.216 32 G C 1.815 176.686 174.900 -0.049 0.000 1.171 32 G CA 0.776 45.848 45.100 -0.047 0.000 0.775 32 G HN 0.401 nan 8.290 nan 0.000 0.543 33 L N 0.703 121.891 121.223 -0.059 0.000 1.994 33 L HA -0.083 4.257 4.340 0.000 0.000 0.208 33 L C 3.460 180.327 176.870 -0.004 0.000 1.071 33 L CA 1.167 55.980 54.840 -0.044 0.000 0.745 33 L CB -0.551 41.456 42.059 -0.088 0.000 0.892 33 L HN 0.309 nan 8.230 nan 0.000 0.431 34 A N -0.969 121.851 122.820 -0.001 0.000 1.908 34 A HA -0.254 4.066 4.320 0.000 0.000 0.218 34 A C 2.547 180.159 177.584 0.046 0.000 1.181 34 A CA 2.292 54.344 52.037 0.026 0.000 0.627 34 A CB -0.755 18.257 19.000 0.021 0.000 0.818 34 A HN 0.365 nan 8.150 nan 0.000 0.445 35 S N -0.850 114.891 115.700 0.068 0.000 2.368 35 S HA 0.024 4.494 4.470 0.000 0.000 0.224 35 S C 2.220 176.939 174.600 0.198 0.000 1.029 35 S CA 1.388 59.674 58.200 0.143 0.000 0.988 35 S CB -0.453 62.870 63.200 0.205 0.000 0.838 35 S HN 0.793 nan 8.310 nan 0.000 0.462 36 A N 1.634 124.527 122.820 0.122 0.000 1.902 36 A HA -0.087 4.233 4.320 0.000 0.000 0.217 36 A C 2.173 179.787 177.584 0.050 0.000 1.181 36 A CA 1.447 53.544 52.037 0.101 0.000 0.623 36 A CB -0.556 18.431 19.000 -0.022 0.000 0.818 36 A HN 0.583 nan 8.150 nan 0.000 0.443 37 R N -1.242 119.273 120.500 0.025 0.000 2.081 37 R HA -0.117 4.223 4.340 0.000 0.000 0.235 37 R C 2.448 178.736 176.300 -0.019 0.000 1.131 37 R CA 1.595 57.697 56.100 0.003 0.000 0.960 37 R CB -0.246 30.064 30.300 0.016 0.000 0.856 37 R HN 0.447 nan 8.270 nan 0.000 0.436 38 R N 1.018 121.506 120.500 -0.020 0.000 2.073 38 R HA 0.002 4.343 4.340 0.000 0.000 0.229 38 R C 2.016 178.225 176.300 -0.152 0.000 1.120 38 R CA 1.640 57.692 56.100 -0.080 0.000 0.967 38 R CB -0.565 29.684 30.300 -0.085 0.000 0.862 38 R HN 0.216 nan 8.270 nan 0.000 0.436 39 A N 0.424 123.158 122.820 -0.143 0.000 1.908 39 A HA -0.082 4.238 4.320 0.000 0.000 0.218 39 A C 2.384 179.763 177.584 -0.341 0.000 1.181 39 A CA 1.884 53.714 52.037 -0.344 0.000 0.627 39 A CB -1.152 17.598 19.000 -0.417 0.000 0.818 39 A HN 0.483 nan 8.150 nan 0.000 0.445 40 A N -0.017 122.699 122.820 -0.173 0.000 1.933 40 A HA -0.194 4.126 4.320 0.000 0.000 0.218 40 A C 1.850 179.384 177.584 -0.083 0.000 1.175 40 A CA 1.657 53.629 52.037 -0.109 0.000 0.628 40 A CB -0.602 18.379 19.000 -0.032 0.000 0.814 40 A HN 0.668 nan 8.150 nan 0.000 0.444 41 E N -0.202 119.951 120.200 -0.078 0.000 2.204 41 E HA -0.110 4.240 4.350 0.000 0.000 0.195 41 E C 1.356 177.919 176.600 -0.062 0.000 0.990 41 E CA 0.870 57.240 56.400 -0.050 0.000 0.821 41 E CB -0.258 29.417 29.700 -0.042 0.000 0.750 41 E HN 0.636 nan 8.360 nan 0.000 0.477 42 L N -0.586 120.567 121.223 -0.116 0.000 2.591 42 L HA 0.164 4.504 4.340 0.000 0.000 0.228 42 L C 1.411 178.237 176.870 -0.073 0.000 1.133 42 L CA 0.387 55.171 54.840 -0.093 0.000 0.880 42 L CB 0.214 42.202 42.059 -0.118 0.000 1.033 42 L HN 0.327 nan 8.230 nan 0.000 0.450 43 G N -0.320 108.423 108.800 -0.094 0.000 2.201 43 G HA2 -0.225 3.735 3.960 0.000 0.000 0.212 43 G HA3 -0.225 3.735 3.960 0.000 0.000 0.212 43 G C 0.431 175.263 174.900 -0.113 0.000 0.994 43 G CA -0.150 44.914 45.100 -0.060 0.000 0.644 43 G HN 0.428 nan 8.290 nan 0.000 0.508 44 A N 0.052 122.697 122.820 -0.292 0.000 2.462 44 A HA 0.677 4.997 4.320 0.000 0.000 0.243 44 A C 0.652 178.144 177.584 -0.153 0.000 1.076 44 A CA 0.735 52.537 52.037 -0.392 0.000 0.773 44 A CB 0.323 18.657 19.000 -1.110 0.000 1.010 44 A HN 1.006 nan 8.150 nan 0.000 0.493 45 R N 1.697 122.185 120.500 -0.020 0.000 2.205 45 R HA 0.558 4.898 4.340 0.000 0.000 0.342 45 R C -0.287 176.147 176.300 0.223 0.000 1.058 45 R CA 0.733 56.900 56.100 0.111 0.000 0.904 45 R CB -0.026 30.349 30.300 0.125 0.000 1.089 45 R HN 0.882 nan 8.270 nan 0.000 0.471 46 A N 2.687 125.597 122.820 0.149 0.000 2.354 46 A HA 0.913 5.233 4.320 0.000 0.000 0.321 46 A C -1.160 176.350 177.584 -0.124 0.000 1.125 46 A CA -0.379 51.697 52.037 0.065 0.000 0.799 46 A CB 1.748 20.782 19.000 0.056 0.000 1.293 46 A HN 0.830 nan 8.150 nan 0.000 0.452 47 A N 0.183 122.775 122.820 -0.381 0.000 2.449 47 A HA 0.682 5.002 4.320 0.000 0.000 0.302 47 A C -1.334 176.019 177.584 -0.384 0.000 1.048 47 A CA -0.430 51.300 52.037 -0.513 0.000 0.708 47 A CB 1.521 19.881 19.000 -1.067 0.000 1.274 47 A HN 1.219 nan 8.150 nan 0.000 0.410 48 V N 2.336 122.073 119.914 -0.295 0.000 2.384 48 V HA 0.391 4.512 4.120 0.000 0.000 0.287 48 V C -0.274 175.667 176.094 -0.255 0.000 1.020 48 V CA -0.503 61.649 62.300 -0.245 0.000 0.850 48 V CB 1.565 33.289 31.823 -0.164 0.000 0.987 48 V HN 0.675 nan 8.190 nan 0.000 0.436 49 V N 4.503 124.255 119.914 -0.269 0.000 2.432 49 V HA 0.538 4.658 4.120 0.000 0.000 0.275 49 V C -0.109 175.877 176.094 -0.180 0.000 1.043 49 V CA -0.309 61.836 62.300 -0.258 0.000 0.925 49 V CB 1.353 32.996 31.823 -0.301 0.000 0.985 49 V HN 0.979 nan 8.190 nan 0.000 0.466 50 E N 3.075 123.189 120.200 -0.144 0.000 2.278 50 E HA 0.394 4.744 4.350 0.000 0.000 0.272 50 E C 0.467 177.013 176.600 -0.090 0.000 0.890 50 E CA -0.008 56.336 56.400 -0.093 0.000 0.770 50 E CB 2.090 31.749 29.700 -0.068 0.000 1.212 50 E HN 0.562 nan 8.360 nan 0.000 0.415 51 S N 3.766 119.425 115.700 -0.068 0.000 2.478 51 S HA 0.118 4.588 4.470 0.000 0.000 0.222 51 S C 0.795 175.125 174.600 -0.450 0.000 1.008 51 S CA 0.369 58.458 58.200 -0.185 0.000 0.928 51 S CB -0.204 62.938 63.200 -0.098 0.000 0.781 51 S HN 0.611 nan 8.310 nan 0.000 0.518 52 H N 1.151 120.217 119.070 -0.006 0.000 5.104 52 H HA 0.509 5.065 4.556 0.000 0.000 0.167 52 H C -0.370 174.950 175.328 -0.015 0.000 1.341 52 H CA -0.571 55.475 56.048 -0.003 0.000 0.513 52 H CB 0.087 29.851 29.762 0.003 0.000 1.576 52 H HN 0.144 nan 8.280 nan 0.000 0.320 53 K N 1.553 122.039 120.400 0.142 0.000 2.182 53 K HA 0.383 4.703 4.320 0.000 0.000 0.262 53 K C -0.367 176.242 176.600 0.015 0.000 0.957 53 K CA -0.478 55.840 56.287 0.051 0.000 0.842 53 K CB 2.111 34.634 32.500 0.039 0.000 1.099 53 K HN 0.162 nan 8.250 nan 0.000 0.438 54 L N 0.772 121.994 121.223 -0.001 0.000 2.483 54 L HA 0.049 4.389 4.340 0.000 0.000 0.275 54 L C 1.445 178.273 176.870 -0.071 0.000 1.220 54 L CA 1.042 55.865 54.840 -0.028 0.000 0.833 54 L CB 0.137 42.200 42.059 0.006 0.000 1.102 54 L HN 1.106 nan 8.230 nan 0.000 0.490 55 G N 0.585 109.282 108.800 -0.172 0.000 2.238 55 G HA2 -0.059 3.901 3.960 0.000 0.000 0.217 55 G HA3 -0.059 3.901 3.960 0.000 0.000 0.217 55 G C 0.684 175.464 174.900 -0.201 0.000 0.996 55 G CA -0.140 44.780 45.100 -0.300 0.000 0.632 55 G HN 1.438 nan 8.290 nan 0.000 0.503 56 G N -0.650 108.081 108.800 -0.116 0.000 2.578 56 G HA2 -0.124 3.836 3.960 0.000 0.000 0.275 56 G HA3 -0.124 3.836 3.960 0.000 0.000 0.275 56 G C 1.088 175.945 174.900 -0.072 0.000 1.271 56 G CA 1.544 46.598 45.100 -0.075 0.000 0.941 56 G HN 1.344 nan 8.290 nan 0.000 0.564 57 T N -0.403 114.121 114.554 -0.049 0.000 2.684 57 T HA -0.218 4.132 4.350 0.000 0.000 0.267 57 T C 2.461 177.129 174.700 -0.053 0.000 1.036 57 T CA 2.572 64.652 62.100 -0.032 0.000 1.148 57 T CB -0.733 68.138 68.868 0.005 0.000 0.863 57 T HN 0.997 nan 8.240 nan 0.000 0.436 58 c N 1.185 119.749 118.600 -0.060 0.000 2.413 58 c HA -0.083 4.487 4.570 0.000 0.000 0.277 58 c C 2.761 176.782 174.090 -0.116 0.000 1.228 58 c CA 0.840 57.129 56.329 -0.068 0.000 1.731 58 c CB -1.237 41.233 42.510 -0.066 0.000 2.042 58 c HN 0.386 nan 8.230 nan 0.000 0.468 59 V N 1.910 121.737 119.914 -0.145 0.000 2.283 59 V HA -0.151 3.969 4.120 0.000 0.000 0.243 59 V C 2.381 178.366 176.094 -0.181 0.000 1.039 59 V CA 2.387 64.587 62.300 -0.167 0.000 1.016 59 V CB -0.740 30.982 31.823 -0.168 0.000 0.650 59 V HN 0.581 nan 8.190 nan 0.000 0.449 60 N N 0.610 119.220 118.700 -0.150 0.000 2.173 60 N HA -0.052 4.688 4.740 0.000 0.000 0.184 60 N C 1.156 176.537 175.510 -0.216 0.000 1.025 60 N CA 1.962 54.926 53.050 -0.143 0.000 0.852 60 N CB 0.331 38.772 38.487 -0.077 0.000 0.998 60 N HN 0.555 nan 8.380 nan 0.000 0.427 61 V N -3.595 116.198 119.914 -0.201 0.000 3.047 61 V HA 0.676 4.796 4.120 0.000 0.000 0.374 61 V C 0.365 176.364 176.094 -0.157 0.000 1.399 61 V CA -0.217 61.935 62.300 -0.246 0.000 1.251 61 V CB 0.574 32.440 31.823 0.071 0.000 1.228 61 V HN 0.171 nan 8.190 nan 0.000 0.589 62 G N -0.180 108.500 108.800 -0.200 0.000 3.418 62 G HA2 0.222 4.182 3.960 0.000 0.000 0.179 62 G HA3 0.222 4.182 3.960 0.000 0.000 0.179 62 G C 0.924 175.808 174.900 -0.026 0.000 1.212 62 G CA 0.656 45.748 45.100 -0.012 0.000 0.935 62 G HN 0.281 nan 8.290 nan 0.000 0.716 63 c N 0.290 118.892 118.600 0.003 0.000 2.349 63 c HA -0.089 4.481 4.570 0.000 0.000 0.274 63 c C 2.859 176.917 174.090 -0.053 0.000 1.178 63 c CA 1.108 57.435 56.329 -0.003 0.000 1.769 63 c CB -1.570 40.937 42.510 -0.005 0.000 2.047 63 c HN 0.277 nan 8.230 nan 0.000 0.448 64 V N 2.954 122.816 119.914 -0.087 0.000 2.216 64 V HA -0.152 3.968 4.120 0.000 0.000 0.243 64 V C 0.225 176.285 176.094 -0.057 0.000 1.044 64 V CA 2.758 65.013 62.300 -0.076 0.000 0.995 64 V CB -2.142 29.592 31.823 -0.148 0.000 0.633 64 V HN 0.353 nan 8.190 nan 0.000 0.446 65 P HA -0.204 nan 4.420 nan 0.000 0.218 65 P C 1.598 178.950 177.300 0.088 0.000 1.148 65 P CA 1.553 64.543 63.100 -0.184 0.000 0.822 65 P CB -0.154 31.119 31.700 -0.712 0.000 0.784 66 K N 0.919 121.393 120.400 0.123 0.000 2.026 66 K HA -0.190 4.130 4.320 0.000 0.000 0.208 66 K C 2.097 178.806 176.600 0.182 0.000 1.048 66 K CA 1.751 58.236 56.287 0.329 0.000 0.929 66 K CB -0.511 32.154 32.500 0.275 0.000 0.713 66 K HN -0.139 nan 8.250 nan 0.000 0.439 67 K N 0.857 121.265 120.400 0.014 0.000 2.057 67 K HA -0.062 4.258 4.320 0.000 0.000 0.207 67 K C 2.048 178.713 176.600 0.109 0.000 1.049 67 K CA 1.332 57.572 56.287 -0.077 0.000 0.931 67 K CB -0.465 31.922 32.500 -0.189 0.000 0.714 67 K HN 0.020 nan 8.250 nan 0.000 0.440 68 V N 0.855 120.840 119.914 0.118 0.000 2.287 68 V HA -0.299 3.821 4.120 0.000 0.000 0.248 68 V C 2.356 178.521 176.094 0.118 0.000 1.053 68 V CA 1.894 64.263 62.300 0.114 0.000 1.027 68 V CB -0.495 31.397 31.823 0.115 0.000 0.646 68 V HN 0.341 nan 8.190 nan 0.000 0.447 69 M N -1.645 118.060 119.600 0.174 0.000 2.159 69 M HA -0.187 4.293 4.480 0.000 0.000 0.263 69 M C 1.977 178.383 176.300 0.177 0.000 1.063 69 M CA 1.554 56.949 55.300 0.157 0.000 1.110 69 M CB -1.348 31.433 32.600 0.300 0.000 1.374 69 M HN 0.628 nan 8.290 nan 0.000 0.411 70 W N 2.409 123.743 121.300 0.057 0.000 2.358 70 W HA -0.166 4.494 4.660 0.000 0.000 0.303 70 W C 1.969 178.518 176.519 0.051 0.000 1.208 70 W CA 1.486 58.868 57.345 0.062 0.000 1.274 70 W CB -0.340 29.110 29.460 -0.016 0.000 1.138 70 W HN 0.253 nan 8.180 nan 0.000 0.515 71 N N -0.480 118.294 118.700 0.124 0.000 2.223 71 N HA -0.139 4.601 4.740 0.000 0.000 0.185 71 N C 1.566 177.030 175.510 -0.076 0.000 1.016 71 N CA 2.160 55.202 53.050 -0.014 0.000 0.863 71 N CB -0.851 37.692 38.487 0.093 0.000 0.983 71 N HN 0.168 nan 8.380 nan 0.000 0.429 72 T N 0.854 115.371 114.554 -0.063 0.000 2.737 72 T HA -0.012 4.338 4.350 0.000 0.000 0.265 72 T C 2.004 176.578 174.700 -0.209 0.000 1.038 72 T CA 1.295 63.326 62.100 -0.115 0.000 1.144 72 T CB -0.278 68.505 68.868 -0.141 0.000 0.866 72 T HN 0.306 nan 8.240 nan 0.000 0.434 73 A N 0.987 123.667 122.820 -0.235 0.000 1.930 73 A HA -0.017 4.303 4.320 0.000 0.000 0.217 73 A C 2.559 179.921 177.584 -0.370 0.000 1.175 73 A CA 1.086 52.946 52.037 -0.296 0.000 0.627 73 A CB -1.004 17.884 19.000 -0.188 0.000 0.815 73 A HN 0.341 nan 8.150 nan 0.000 0.443 74 V N -0.430 119.216 119.914 -0.447 0.000 2.407 74 V HA -0.272 3.848 4.120 0.000 0.000 0.248 74 V C 2.442 178.252 176.094 -0.474 0.000 1.055 74 V CA 2.088 64.025 62.300 -0.606 0.000 1.049 74 V CB -0.981 30.370 31.823 -0.788 0.000 0.662 74 V HN 0.675 nan 8.190 nan 0.000 0.455 75 H N -0.653 118.237 119.070 -0.301 0.000 2.353 75 H HA -0.138 4.418 4.556 0.000 0.000 0.300 75 H C 2.680 177.863 175.328 -0.242 0.000 1.090 75 H CA 1.928 57.866 56.048 -0.183 0.000 1.327 75 H CB -0.030 29.644 29.762 -0.147 0.000 1.383 75 H HN 0.427 nan 8.280 nan 0.000 0.508 76 S N 0.126 115.706 115.700 -0.201 0.000 2.359 76 S HA -0.163 4.307 4.470 0.000 0.000 0.224 76 S C 1.983 176.271 174.600 -0.519 0.000 1.035 76 S CA 1.639 59.646 58.200 -0.322 0.000 1.018 76 S CB -0.010 62.994 63.200 -0.327 0.000 0.876 76 S HN 0.517 nan 8.310 nan 0.000 0.448 77 E N -0.330 119.587 120.200 -0.471 0.000 2.051 77 E HA -0.107 4.243 4.350 0.000 0.000 0.192 77 E C 1.855 178.313 176.600 -0.237 0.000 0.991 77 E CA 1.359 57.521 56.400 -0.397 0.000 0.799 77 E CB -0.269 29.151 29.700 -0.466 0.000 0.748 77 E HN 0.501 nan 8.360 nan 0.000 0.449 78 F N 0.956 120.805 119.950 -0.169 0.000 2.161 78 F HA -0.172 4.355 4.527 0.000 0.000 0.300 78 F C 2.423 178.193 175.800 -0.050 0.000 1.089 78 F CA 1.098 59.042 58.000 -0.092 0.000 1.282 78 F CB -0.718 38.145 39.000 -0.229 0.000 1.010 78 F HN 0.071 nan 8.300 nan 0.000 0.485 79 M N -0.551 119.035 119.600 -0.022 0.000 2.346 79 M HA -0.228 4.252 4.480 0.000 0.000 0.263 79 M C 1.866 178.198 176.300 0.053 0.000 1.064 79 M CA 1.768 57.035 55.300 -0.056 0.000 1.083 79 M CB -0.476 32.043 32.600 -0.135 0.000 1.399 79 M HN 0.110 nan 8.290 nan 0.000 0.435 80 H N 0.577 119.732 119.070 0.141 0.000 2.495 80 H HA -0.008 4.548 4.556 0.000 0.000 0.287 80 H C 0.860 176.317 175.328 0.216 0.000 1.033 80 H CA 1.243 57.378 56.048 0.146 0.000 1.307 80 H CB -0.244 29.581 29.762 0.105 0.000 1.401 80 H HN 0.556 nan 8.280 nan 0.000 0.555 81 D N -0.913 119.730 120.400 0.406 0.000 2.349 81 D HA -0.041 4.599 4.640 0.000 0.000 0.214 81 D C 1.742 178.308 176.300 0.443 0.000 1.063 81 D CA 0.106 54.364 54.000 0.430 0.000 0.847 81 D CB -0.068 41.081 40.800 0.582 0.000 0.933 81 D HN 0.344 nan 8.370 nan 0.000 0.513 82 H N 1.937 121.169 119.070 0.270 0.000 2.319 82 H HA -0.086 4.470 4.556 0.000 0.000 0.297 82 H C 2.021 177.550 175.328 0.335 0.000 1.097 82 H CA 2.105 58.310 56.048 0.262 0.000 1.285 82 H CB -0.029 29.822 29.762 0.147 0.000 1.368 82 H HN 0.118 nan 8.280 nan 0.000 0.495 83 A N 0.238 123.223 122.820 0.275 0.000 1.933 83 A HA -0.154 4.166 4.320 0.000 0.000 0.218 83 A C 2.052 179.696 177.584 0.099 0.000 1.175 83 A CA 1.754 53.889 52.037 0.163 0.000 0.628 83 A CB -0.310 18.775 19.000 0.143 0.000 0.814 83 A HN 0.460 nan 8.150 nan 0.000 0.444 84 D N -1.481 118.981 120.400 0.103 0.000 2.218 84 D HA -0.125 4.515 4.640 0.000 0.000 0.204 84 D C 0.773 177.001 176.300 -0.119 0.000 0.976 84 D CA 1.139 55.123 54.000 -0.028 0.000 0.853 84 D CB -0.246 40.510 40.800 -0.074 0.000 0.939 84 D HN 0.605 nan 8.370 nan 0.000 0.481 85 Y N -0.195 120.125 120.300 0.034 0.000 2.470 85 Y HA 0.282 4.832 4.550 0.000 0.000 0.284 85 Y C 1.648 177.499 175.900 -0.083 0.000 1.188 85 Y CA 0.313 58.431 58.100 0.029 0.000 1.269 85 Y CB 0.493 39.036 38.460 0.138 0.000 1.094 85 Y HN 0.037 nan 8.280 nan 0.000 0.518 86 G N -1.068 107.702 108.800 -0.050 0.000 2.141 86 G HA2 -0.271 3.689 3.960 0.000 0.000 0.231 86 G HA3 -0.271 3.689 3.960 0.000 0.000 0.231 86 G C -0.110 174.516 174.900 -0.456 0.000 0.984 86 G CA -0.326 44.617 45.100 -0.261 0.000 0.660 86 G HN 0.206 nan 8.290 nan 0.000 0.525 87 F N 0.642 120.488 119.950 -0.174 0.000 2.518 87 F HA 0.707 5.234 4.527 0.000 0.000 0.338 87 F C -1.840 173.922 175.800 -0.062 0.000 1.065 87 F CA -2.459 55.414 58.000 -0.212 0.000 1.012 87 F CB 1.388 39.951 39.000 -0.728 0.000 1.297 87 F HN -0.164 nan 8.300 nan 0.000 0.489 88 P HA 0.155 nan 4.420 nan 0.000 0.282 88 P C -0.757 176.712 177.300 0.281 0.000 1.249 88 P CA -0.521 62.702 63.100 0.204 0.000 0.806 88 P CB 1.200 32.999 31.700 0.165 0.000 0.984 89 S N 0.934 116.754 115.700 0.200 0.000 2.552 89 S HA 0.042 4.512 4.470 0.000 0.000 0.289 89 S C 0.095 174.804 174.600 0.181 0.000 1.304 89 S CA -0.130 58.190 58.200 0.200 0.000 1.063 89 S CB -0.437 62.849 63.200 0.143 0.000 0.848 89 S HN 0.451 nan 8.310 nan 0.000 0.499 90 C N 4.359 123.763 119.300 0.173 0.000 2.347 90 C HA 0.286 4.746 4.460 0.000 0.000 0.353 90 C C 1.797 176.839 174.990 0.087 0.000 1.273 90 C CA -0.589 58.484 59.018 0.092 0.000 1.861 90 C CB -0.161 27.577 27.740 -0.003 0.000 2.420 90 C HN 1.085 nan 8.230 nan 0.000 0.542 91 E N 3.231 123.473 120.200 0.070 0.000 2.230 91 E HA 0.213 4.563 4.350 0.000 0.000 0.192 91 E C 0.962 177.602 176.600 0.066 0.000 0.987 91 E CA 1.065 57.506 56.400 0.068 0.000 0.841 91 E CB 0.254 29.988 29.700 0.057 0.000 0.783 91 E HN 0.832 nan 8.360 nan 0.000 0.481 92 G N 1.205 110.042 108.800 0.062 0.000 2.894 92 G HA2 0.094 4.054 3.960 0.000 0.000 0.164 92 G HA3 0.094 4.054 3.960 0.000 0.000 0.164 92 G C -1.313 173.644 174.900 0.094 0.000 1.180 92 G CA -0.435 44.708 45.100 0.072 0.000 0.997 92 G HN 0.154 nan 8.290 nan 0.000 0.572 93 K N 0.609 121.061 120.400 0.087 0.000 2.453 93 K HA 0.128 4.448 4.320 0.000 0.000 0.280 93 K C -0.861 175.822 176.600 0.138 0.000 1.045 93 K CA -0.301 56.051 56.287 0.108 0.000 1.059 93 K CB 0.411 32.949 32.500 0.064 0.000 0.901 93 K HN 0.224 nan 8.250 nan 0.000 0.475 94 F N 4.156 124.125 119.950 0.032 0.000 2.484 94 F HA 0.159 4.686 4.527 0.000 0.000 0.360 94 F C -0.177 175.657 175.800 0.057 0.000 1.101 94 F CA -0.534 57.485 58.000 0.032 0.000 1.251 94 F CB 0.597 39.630 39.000 0.055 0.000 1.132 94 F HN 0.690 nan 8.300 nan 0.000 0.570 95 N N 7.247 125.412 118.700 -0.892 0.000 2.511 95 N HA 0.021 4.761 4.740 0.000 0.000 0.249 95 N C 0.614 175.473 175.510 -1.085 0.000 0.971 95 N CA -0.562 52.059 53.050 -0.715 0.000 0.938 95 N CB 0.112 38.395 38.487 -0.340 0.000 1.131 95 N HN 0.901 nan 8.380 nan 0.000 0.505 96 W N 5.529 126.234 121.300 -0.991 0.000 2.335 96 W HA -0.176 4.484 4.660 0.000 0.000 0.311 96 W C 1.512 177.862 176.519 -0.280 0.000 1.213 96 W CA 1.625 58.634 57.345 -0.560 0.000 1.274 96 W CB 0.138 29.516 29.460 -0.137 0.000 1.148 96 W HN 0.699 nan 8.180 nan 0.000 0.498 97 R N 0.169 120.695 120.500 0.044 0.000 2.189 97 R HA -0.105 4.235 4.340 0.000 0.000 0.223 97 R C 1.809 178.070 176.300 -0.066 0.000 1.092 97 R CA 1.540 57.660 56.100 0.034 0.000 0.989 97 R CB -1.093 29.253 30.300 0.077 0.000 0.876 97 R HN 0.074 nan 8.270 nan 0.000 0.457 98 V N 1.399 121.229 119.914 -0.140 0.000 2.307 98 V HA -0.205 3.915 4.120 0.000 0.000 0.245 98 V C 2.222 178.247 176.094 -0.115 0.000 1.045 98 V CA 1.646 63.871 62.300 -0.124 0.000 1.024 98 V CB -0.360 31.372 31.823 -0.151 0.000 0.651 98 V HN 0.278 nan 8.190 nan 0.000 0.449 99 I N -0.234 120.241 120.570 -0.159 0.000 2.500 99 I HA -0.110 4.060 4.170 0.000 0.000 0.252 99 I C 2.369 178.406 176.117 -0.134 0.000 1.142 99 I CA 1.493 62.722 61.300 -0.118 0.000 1.451 99 I CB -0.453 37.513 38.000 -0.057 0.000 1.093 99 I HN 0.198 nan 8.210 nan 0.000 0.430 100 K N 0.611 120.897 120.400 -0.190 0.000 2.057 100 K HA -0.226 4.095 4.320 0.000 0.000 0.207 100 K C 1.882 178.466 176.600 -0.026 0.000 1.049 100 K CA 1.861 58.075 56.287 -0.121 0.000 0.931 100 K CB -0.148 32.328 32.500 -0.040 0.000 0.714 100 K HN 0.407 nan 8.250 nan 0.000 0.440 101 E N 0.469 120.657 120.200 -0.020 0.000 2.077 101 E HA -0.176 4.174 4.350 0.000 0.000 0.193 101 E C 2.014 178.617 176.600 0.004 0.000 0.989 101 E CA 1.365 57.765 56.400 -0.001 0.000 0.800 101 E CB 0.075 29.771 29.700 -0.007 0.000 0.746 101 E HN 0.307 nan 8.360 nan 0.000 0.452 102 K N 0.499 120.892 120.400 -0.012 0.000 2.097 102 K HA -0.094 4.226 4.320 0.000 0.000 0.205 102 K C 2.253 178.875 176.600 0.038 0.000 1.050 102 K CA 0.622 56.908 56.287 -0.001 0.000 0.938 102 K CB -0.063 32.419 32.500 -0.031 0.000 0.718 102 K HN -0.015 nan 8.250 nan 0.000 0.442 103 R N 1.268 121.788 120.500 0.035 0.000 2.073 103 R HA -0.150 4.190 4.340 0.000 0.000 0.234 103 R C 1.461 177.816 176.300 0.090 0.000 1.134 103 R CA 1.819 57.970 56.100 0.084 0.000 0.952 103 R CB -0.043 30.285 30.300 0.048 0.000 0.850 103 R HN 0.125 nan 8.270 nan 0.000 0.433 104 D N 0.265 120.697 120.400 0.054 0.000 2.149 104 D HA -0.146 4.494 4.640 0.000 0.000 0.198 104 D C 1.698 178.027 176.300 0.048 0.000 0.990 104 D CA 1.481 55.506 54.000 0.042 0.000 0.839 104 D CB -0.235 40.589 40.800 0.040 0.000 0.948 104 D HN 0.375 nan 8.370 nan 0.000 0.460 105 A N 0.326 123.183 122.820 0.063 0.000 1.902 105 A HA -0.229 4.091 4.320 0.000 0.000 0.217 105 A C 2.182 179.838 177.584 0.120 0.000 1.181 105 A CA 1.206 53.284 52.037 0.068 0.000 0.623 105 A CB -0.974 18.059 19.000 0.054 0.000 0.818 105 A HN 0.301 nan 8.150 nan 0.000 0.443 106 Y N 0.753 121.044 120.300 -0.014 0.000 2.181 106 Y HA -0.146 4.404 4.550 0.000 0.000 0.288 106 Y C 2.318 178.213 175.900 -0.008 0.000 1.146 106 Y CA 1.488 59.580 58.100 -0.013 0.000 1.164 106 Y CB -0.641 37.809 38.460 -0.017 0.000 0.982 106 Y HN 0.059 nan 8.280 nan 0.000 0.515 107 V N -0.651 119.215 119.914 -0.080 0.000 2.407 107 V HA -0.287 3.833 4.120 0.000 0.000 0.248 107 V C 2.504 178.539 176.094 -0.098 0.000 1.055 107 V CA 2.094 64.283 62.300 -0.185 0.000 1.049 107 V CB -0.903 30.846 31.823 -0.123 0.000 0.662 107 V HN 0.387 nan 8.190 nan 0.000 0.455 108 S N -0.651 115.032 115.700 -0.028 0.000 2.368 108 S HA -0.173 4.297 4.470 0.000 0.000 0.225 108 S C 2.090 176.686 174.600 -0.007 0.000 1.030 108 S CA 1.317 59.513 58.200 -0.007 0.000 0.999 108 S CB -0.277 62.931 63.200 0.013 0.000 0.844 108 S HN 0.534 nan 8.310 nan 0.000 0.459 109 R N 0.671 121.175 120.500 0.007 0.000 2.091 109 R HA -0.033 4.307 4.340 0.000 0.000 0.238 109 R C 2.203 178.487 176.300 -0.027 0.000 1.136 109 R CA 1.180 57.290 56.100 0.016 0.000 0.959 109 R CB -0.566 29.789 30.300 0.093 0.000 0.856 109 R HN 0.378 nan 8.270 nan 0.000 0.437 110 L N 0.408 121.582 121.223 -0.081 0.000 2.093 110 L HA -0.146 4.194 4.340 0.000 0.000 0.208 110 L C 1.762 178.668 176.870 0.060 0.000 1.085 110 L CA 1.374 56.182 54.840 -0.053 0.000 0.755 110 L CB -0.536 41.455 42.059 -0.113 0.000 0.904 110 L HN 0.289 nan 8.230 nan 0.000 0.435 111 N N 0.188 118.905 118.700 0.028 0.000 2.149 111 N HA -0.182 4.558 4.740 0.000 0.000 0.188 111 N C 1.917 177.454 175.510 0.045 0.000 1.019 111 N CA 1.098 54.182 53.050 0.057 0.000 0.857 111 N CB -0.181 38.318 38.487 0.019 0.000 0.997 111 N HN 0.324 nan 8.380 nan 0.000 0.426 112 A N 1.060 123.883 122.820 0.005 0.000 1.929 112 A HA -0.031 4.289 4.320 0.000 0.000 0.216 112 A C 2.122 179.680 177.584 -0.043 0.000 1.176 112 A CA 0.776 52.806 52.037 -0.012 0.000 0.628 112 A CB -0.482 18.509 19.000 -0.015 0.000 0.816 112 A HN 0.180 nan 8.150 nan 0.000 0.444 113 I N -1.805 118.709 120.570 -0.093 0.000 2.226 113 I HA -0.285 3.885 4.170 0.000 0.000 0.245 113 I C 2.286 178.238 176.117 -0.275 0.000 1.100 113 I CA 1.467 62.640 61.300 -0.211 0.000 1.374 113 I CB -0.341 37.465 38.000 -0.324 0.000 1.057 113 I HN 0.394 nan 8.210 nan 0.000 0.413 114 Y N 0.367 120.639 120.300 -0.047 0.000 2.314 114 Y HA -0.230 4.320 4.550 0.000 0.000 0.293 114 Y C 2.693 178.564 175.900 -0.049 0.000 1.129 114 Y CA 1.285 59.356 58.100 -0.049 0.000 1.201 114 Y CB -0.472 37.956 38.460 -0.053 0.000 0.999 114 Y HN 0.216 nan 8.280 nan 0.000 0.541 115 Q N 0.435 120.274 119.800 0.066 0.000 2.079 115 Q HA -0.220 4.120 4.340 0.000 0.000 0.200 115 Q C 2.211 178.202 176.000 -0.015 0.000 0.974 115 Q CA 1.624 57.440 55.803 0.022 0.000 0.840 115 Q CB -0.285 28.458 28.738 0.008 0.000 0.898 115 Q HN 0.530 nan 8.270 nan 0.000 0.430 116 N N -0.168 118.507 118.700 -0.041 0.000 2.166 116 N HA -0.178 4.562 4.740 0.000 0.000 0.186 116 N C 1.321 176.787 175.510 -0.073 0.000 1.019 116 N CA 1.313 54.327 53.050 -0.060 0.000 0.856 116 N CB -0.124 38.320 38.487 -0.072 0.000 0.993 116 N HN 0.382 nan 8.380 nan 0.000 0.426 117 N N 0.369 119.023 118.700 -0.078 0.000 2.166 117 N HA -0.109 4.631 4.740 0.000 0.000 0.186 117 N C 1.835 177.316 175.510 -0.049 0.000 1.019 117 N CA 0.658 53.667 53.050 -0.068 0.000 0.856 117 N CB 0.060 38.515 38.487 -0.053 0.000 0.993 117 N HN 0.255 nan 8.380 nan 0.000 0.426 118 L N 0.407 121.615 121.223 -0.026 0.000 2.044 118 L HA -0.122 4.218 4.340 0.000 0.000 0.205 118 L C 2.918 179.741 176.870 -0.078 0.000 1.075 118 L CA 1.322 56.140 54.840 -0.037 0.000 0.747 118 L CB -1.045 41.001 42.059 -0.021 0.000 0.903 118 L HN 0.383 nan 8.230 nan 0.000 0.435 119 T N -2.173 112.335 114.554 -0.076 0.000 2.746 119 T HA -0.240 4.110 4.350 0.000 0.000 0.267 119 T C 1.830 176.405 174.700 -0.208 0.000 1.039 119 T CA 1.185 63.228 62.100 -0.095 0.000 1.142 119 T CB -0.274 68.561 68.868 -0.054 0.000 0.866 119 T HN 0.213 nan 8.240 nan 0.000 0.444 120 K N 0.874 121.150 120.400 -0.207 0.000 2.280 120 K HA 0.059 4.379 4.320 0.000 0.000 0.202 120 K C 2.321 178.609 176.600 -0.519 0.000 1.047 120 K CA 1.279 57.391 56.287 -0.291 0.000 0.942 120 K CB -0.107 32.296 32.500 -0.161 0.000 0.739 120 K HN 0.319 nan 8.250 nan 0.000 0.457 121 S N -0.543 114.931 115.700 -0.378 0.000 2.575 121 S HA 0.032 4.503 4.470 0.000 0.000 0.215 121 S C -0.533 173.912 174.600 -0.258 0.000 0.966 121 S CA -0.078 57.954 58.200 -0.280 0.000 0.911 121 S CB -0.077 63.062 63.200 -0.102 0.000 0.780 121 S HN 0.401 nan 8.310 nan 0.000 0.514 122 H N -0.500 118.570 119.070 -0.001 0.000 2.903 122 H HA -0.118 4.438 4.556 0.000 0.000 0.285 122 H C -0.512 174.823 175.328 0.012 0.000 1.231 122 H CA 0.375 56.428 56.048 0.009 0.000 1.135 122 H CB -2.159 27.610 29.762 0.011 0.000 1.328 122 H HN 0.348 nan 8.280 nan 0.000 0.388 123 I N 1.094 121.678 120.570 0.023 0.000 2.365 123 I HA 0.113 4.283 4.170 0.000 0.000 0.291 123 I C 0.907 177.021 176.117 -0.004 0.000 1.004 123 I CA -0.190 61.115 61.300 0.008 0.000 1.311 123 I CB 1.265 39.246 38.000 -0.031 0.000 1.401 123 I HN 0.262 nan 8.210 nan 0.000 0.491 124 E N 6.284 126.477 120.200 -0.013 0.000 2.354 124 E HA 0.374 4.724 4.350 0.000 0.000 0.269 124 E C -1.035 175.500 176.600 -0.110 0.000 1.036 124 E CA -0.312 56.071 56.400 -0.028 0.000 0.876 124 E CB 0.830 30.537 29.700 0.013 0.000 1.009 124 E HN 0.406 nan 8.360 nan 0.000 0.416 125 I N 5.730 126.250 120.570 -0.083 0.000 2.354 125 I HA 0.279 4.450 4.170 0.000 0.000 0.286 125 I C -0.495 175.550 176.117 -0.120 0.000 1.007 125 I CA -0.487 60.747 61.300 -0.109 0.000 1.167 125 I CB 1.116 39.076 38.000 -0.068 0.000 1.320 125 I HN 0.433 nan 8.210 nan 0.000 0.458 126 I N 6.627 127.081 120.570 -0.193 0.000 2.312 126 I HA 0.345 4.515 4.170 0.000 0.000 0.290 126 I C 0.196 176.216 176.117 -0.161 0.000 1.008 126 I CA -0.534 60.641 61.300 -0.208 0.000 1.226 126 I CB 0.605 38.353 38.000 -0.421 0.000 1.371 126 I HN 0.434 nan 8.210 nan 0.000 0.468 127 R N 5.272 125.714 120.500 -0.098 0.000 2.254 127 R HA 0.729 5.069 4.340 0.000 0.000 0.318 127 R C 0.171 176.426 176.300 -0.075 0.000 1.031 127 R CA -0.416 55.634 56.100 -0.084 0.000 0.905 127 R CB 1.449 31.714 30.300 -0.059 0.000 1.050 127 R HN 0.931 nan 8.270 nan 0.000 0.456 128 G N 1.150 109.896 108.800 -0.089 0.000 2.369 128 G HA2 -0.117 3.844 3.960 0.000 0.000 0.295 128 G HA3 -0.117 3.844 3.960 0.000 0.000 0.295 128 G C -1.892 172.983 174.900 -0.041 0.000 1.298 128 G CA -0.980 44.087 45.100 -0.055 0.000 0.940 128 G HN 0.729 nan 8.290 nan 0.000 0.536 129 H N 0.209 119.230 119.070 -0.080 0.000 2.552 129 H HA 0.760 5.316 4.556 0.000 0.000 0.311 129 H C 0.457 175.747 175.328 -0.063 0.000 1.071 129 H CA 0.494 56.505 56.048 -0.062 0.000 1.307 129 H CB 1.121 30.862 29.762 -0.034 0.000 1.416 129 H HN 0.940 nan 8.280 nan 0.000 0.464 130 A N 3.931 126.408 122.820 -0.571 0.000 2.304 130 A HA 0.784 5.104 4.320 0.000 0.000 0.301 130 A C -0.692 176.598 177.584 -0.490 0.000 1.132 130 A CA 0.002 51.787 52.037 -0.419 0.000 0.819 130 A CB 0.432 19.192 19.000 -0.399 0.000 1.094 130 A HN 0.955 nan 8.150 nan 0.000 0.492 131 A N 0.818 123.482 122.820 -0.261 0.000 2.549 131 A HA 0.695 5.015 4.320 0.000 0.000 0.297 131 A C -0.893 176.581 177.584 -0.184 0.000 1.061 131 A CA -0.582 51.367 52.037 -0.146 0.000 0.690 131 A CB 0.528 19.573 19.000 0.076 0.000 1.287 131 A HN 0.642 nan 8.150 nan 0.000 0.402 132 F N 1.231 121.195 119.950 0.025 0.000 2.444 132 F HA 0.456 4.983 4.527 0.000 0.000 0.331 132 F C 1.705 177.527 175.800 0.035 0.000 1.167 132 F CA 1.188 59.205 58.000 0.028 0.000 1.262 132 F CB 1.219 40.231 39.000 0.019 0.000 1.196 132 F HN 0.690 nan 8.300 nan 0.000 0.583 133 T N -2.656 112.047 114.554 0.248 0.000 2.937 133 T HA 0.323 4.673 4.350 0.000 0.000 0.283 133 T C 0.818 175.595 174.700 0.129 0.000 1.012 133 T CA -0.246 61.943 62.100 0.148 0.000 0.997 133 T CB 1.261 70.189 68.868 0.100 0.000 1.136 133 T HN 0.470 nan 8.240 nan 0.000 0.551 134 S N -0.351 115.398 115.700 0.083 0.000 2.453 134 S HA 0.011 4.481 4.470 0.000 0.000 0.231 134 S C 0.446 175.074 174.600 0.046 0.000 1.005 134 S CA -0.037 58.197 58.200 0.055 0.000 0.949 134 S CB -0.611 62.614 63.200 0.042 0.000 0.774 134 S HN 0.764 nan 8.310 nan 0.000 0.510 135 D N 3.524 123.957 120.400 0.055 0.000 2.548 135 D HA 0.033 4.673 4.640 0.000 0.000 0.231 135 D C -1.379 174.945 176.300 0.040 0.000 1.142 135 D CA -0.718 53.310 54.000 0.046 0.000 0.866 135 D CB 0.463 41.295 40.800 0.053 0.000 1.190 135 D HN 0.121 nan 8.370 nan 0.000 0.469 136 P HA -0.159 nan 4.420 nan 0.000 0.208 136 P C 0.309 177.620 177.300 0.019 0.000 1.189 136 P CA 1.346 64.455 63.100 0.016 0.000 0.931 136 P CB -0.054 31.654 31.700 0.012 0.000 0.783 137 K N 1.036 121.451 120.400 0.026 0.000 2.412 137 K HA 0.189 4.509 4.320 0.000 0.000 0.281 137 K C -2.382 174.254 176.600 0.059 0.000 1.027 137 K CA -1.773 54.533 56.287 0.032 0.000 0.989 137 K CB -0.505 32.013 32.500 0.031 0.000 0.935 137 K HN -0.007 nan 8.250 nan 0.000 0.475 138 P HA -0.031 nan 4.420 nan 0.000 0.256 138 P C -1.097 176.313 177.300 0.182 0.000 1.173 138 P CA 0.297 63.472 63.100 0.126 0.000 0.768 138 P CB 0.504 32.263 31.700 0.099 0.000 0.758 139 T N 4.059 118.747 114.554 0.223 0.000 2.909 139 T HA 0.662 5.012 4.350 0.000 0.000 0.299 139 T C 0.088 174.890 174.700 0.169 0.000 1.073 139 T CA -0.571 61.634 62.100 0.176 0.000 0.999 139 T CB 1.036 69.974 68.868 0.117 0.000 1.098 139 T HN 0.312 nan 8.240 nan 0.000 0.477 140 I N -0.849 119.772 120.570 0.085 0.000 2.797 140 I HA 0.835 5.005 4.170 0.000 0.000 0.307 140 I C -0.625 175.538 176.117 0.077 0.000 1.033 140 I CA -0.901 60.381 61.300 -0.031 0.000 1.071 140 I CB 2.274 40.137 38.000 -0.229 0.000 1.255 140 I HN 0.531 nan 8.210 nan 0.000 0.445 141 E N 3.031 123.256 120.200 0.041 0.000 2.222 141 E HA 0.649 4.999 4.350 0.000 0.000 0.267 141 E C -1.797 174.860 176.600 0.095 0.000 0.884 141 E CA -0.832 55.623 56.400 0.092 0.000 0.764 141 E CB 2.557 32.293 29.700 0.059 0.000 1.169 141 E HN 0.586 nan 8.360 nan 0.000 0.413 142 V N 3.196 123.218 119.914 0.179 0.000 2.462 142 V HA 0.185 4.305 4.120 0.000 0.000 0.288 142 V C -0.223 175.953 176.094 0.137 0.000 1.020 142 V CA -0.720 61.654 62.300 0.124 0.000 0.857 142 V CB 1.342 33.211 31.823 0.076 0.000 1.013 142 V HN 0.871 nan 8.190 nan 0.000 0.431 143 S N 3.754 119.507 115.700 0.088 0.000 3.783 143 S HA -0.168 4.302 4.470 0.000 0.000 0.360 143 S C 1.497 176.132 174.600 0.058 0.000 1.006 143 S CA 1.464 59.704 58.200 0.067 0.000 1.115 143 S CB -1.224 62.013 63.200 0.063 0.000 0.893 143 S HN 2.291 nan 8.310 nan 0.000 0.475 144 G N -0.142 108.688 108.800 0.050 0.000 2.267 144 G HA2 -0.332 3.628 3.960 0.000 0.000 0.257 144 G HA3 -0.332 3.628 3.960 0.000 0.000 0.257 144 G C -0.035 174.867 174.900 0.003 0.000 0.998 144 G CA 0.809 45.924 45.100 0.026 0.000 0.620 144 G HN 0.630 nan 8.290 nan 0.000 0.529 145 K N 0.972 121.377 120.400 0.008 0.000 2.118 145 K HA 0.490 4.810 4.320 0.000 0.000 0.267 145 K C 0.167 176.647 176.600 -0.200 0.000 0.991 145 K CA -0.437 55.778 56.287 -0.119 0.000 0.916 145 K CB 1.426 33.829 32.500 -0.161 0.000 1.041 145 K HN 0.209 nan 8.250 nan 0.000 0.455 146 K N 2.158 122.361 120.400 -0.328 0.000 2.123 146 K HA 0.399 4.719 4.320 0.000 0.000 0.259 146 K C -0.831 175.454 176.600 -0.525 0.000 0.960 146 K CA -0.618 55.524 56.287 -0.242 0.000 0.872 146 K CB 0.974 33.415 32.500 -0.099 0.000 1.079 146 K HN 0.422 nan 8.250 nan 0.000 0.440 147 Y N -0.762 119.570 120.300 0.055 0.000 2.534 147 Y HA 0.354 4.904 4.550 0.000 0.000 0.345 147 Y C 0.189 176.151 175.900 0.104 0.000 1.031 147 Y CA -0.777 57.388 58.100 0.107 0.000 1.022 147 Y CB 2.617 41.135 38.460 0.098 0.000 1.292 147 Y HN 0.542 nan 8.280 nan 0.000 0.459 148 T N 0.858 115.595 114.554 0.304 0.000 2.843 148 T HA 0.924 5.274 4.350 0.000 0.000 0.302 148 T C -1.792 173.060 174.700 0.253 0.000 1.232 148 T CA -0.327 61.905 62.100 0.220 0.000 1.009 148 T CB 1.411 70.363 68.868 0.140 0.000 1.254 148 T HN 1.098 nan 8.240 nan 0.000 0.504 149 A N 2.684 125.633 122.820 0.214 0.000 2.605 149 A HA 0.731 5.051 4.320 0.000 0.000 0.294 149 A C -2.581 175.097 177.584 0.157 0.000 1.062 149 A CA -1.076 51.103 52.037 0.238 0.000 0.682 149 A CB 1.097 20.296 19.000 0.331 0.000 1.278 149 A HN 0.558 nan 8.150 nan 0.000 0.410 150 P HA 0.050 nan 4.420 nan 0.000 0.233 150 P C -0.202 176.896 177.300 -0.337 0.000 1.167 150 P CA 1.207 64.224 63.100 -0.138 0.000 0.770 150 P CB 0.006 31.565 31.700 -0.235 0.000 0.837 151 H N -0.220 119.071 119.070 0.369 0.000 2.924 151 H HA 0.424 4.980 4.556 0.000 0.000 0.333 151 H C -0.289 175.377 175.328 0.563 0.000 0.979 151 H CA -0.622 55.761 56.048 0.558 0.000 1.326 151 H CB 1.624 31.754 29.762 0.614 0.000 1.600 151 H HN -0.021 nan 8.280 nan 0.000 0.520 152 I N 4.199 125.086 120.570 0.528 0.000 2.418 152 I HA 0.119 4.289 4.170 0.000 0.000 0.287 152 I C -0.508 175.827 176.117 0.363 0.000 1.008 152 I CA -0.852 60.647 61.300 0.330 0.000 1.104 152 I CB 2.270 40.427 38.000 0.262 0.000 1.264 152 I HN 0.198 nan 8.210 nan 0.000 0.438 153 L N 8.306 129.640 121.223 0.185 0.000 2.282 153 L HA 0.559 4.899 4.340 0.000 0.000 0.288 153 L C -0.667 176.263 176.870 0.100 0.000 1.033 153 L CA 0.051 55.009 54.840 0.197 0.000 0.807 153 L CB 0.958 43.066 42.059 0.082 0.000 1.209 153 L HN 0.405 nan 8.230 nan 0.000 0.423 154 I N 5.913 126.577 120.570 0.156 0.000 2.304 154 I HA 0.480 4.650 4.170 0.000 0.000 0.291 154 I C 0.346 176.513 176.117 0.084 0.000 1.018 154 I CA -0.067 61.302 61.300 0.116 0.000 1.260 154 I CB 1.382 39.489 38.000 0.178 0.000 1.390 154 I HN 0.829 nan 8.210 nan 0.000 0.475 155 A N 3.588 126.429 122.820 0.034 0.000 3.176 155 A HA 0.238 4.558 4.320 0.000 0.000 0.265 155 A C 0.893 178.487 177.584 0.017 0.000 0.936 155 A CA -0.351 51.707 52.037 0.034 0.000 1.033 155 A CB -0.363 18.646 19.000 0.015 0.000 1.158 155 A HN 0.730 nan 8.150 nan 0.000 0.485 156 T N -2.781 111.790 114.554 0.028 0.000 3.160 156 T HA 0.416 4.766 4.350 0.000 0.000 0.257 156 T C 1.365 176.086 174.700 0.036 0.000 1.147 156 T CA 1.005 63.118 62.100 0.022 0.000 1.064 156 T CB -0.357 68.526 68.868 0.025 0.000 0.949 156 T HN 2.030 nan 8.240 nan 0.000 0.526 157 G N 0.361 109.189 108.800 0.047 0.000 2.569 157 G HA2 0.226 4.187 3.960 0.000 0.000 0.259 157 G HA3 0.226 4.187 3.960 0.000 0.000 0.259 157 G C 0.087 175.025 174.900 0.064 0.000 1.263 157 G CA -0.312 44.819 45.100 0.052 0.000 0.928 157 G HN 1.263 nan 8.290 nan 0.000 0.572 158 G N -2.666 106.169 108.800 0.058 0.000 3.021 158 G HA2 0.867 4.827 3.960 0.000 0.000 0.290 158 G HA3 0.867 4.827 3.960 0.000 0.000 0.290 158 G C -0.794 174.130 174.900 0.039 0.000 1.291 158 G CA -0.118 45.017 45.100 0.058 0.000 0.834 158 G HN 1.129 nan 8.290 nan 0.000 0.564 159 M N -0.186 119.436 119.600 0.036 0.000 2.721 159 M HA 0.398 4.879 4.480 0.000 0.000 0.271 159 M C -2.923 173.394 176.300 0.028 0.000 1.259 159 M CA -1.428 53.887 55.300 0.025 0.000 0.835 159 M CB 3.023 35.628 32.600 0.009 0.000 1.689 159 M HN 0.191 nan 8.290 nan 0.000 0.470 160 P HA 0.164 nan 4.420 nan 0.000 0.275 160 P C -0.970 176.332 177.300 0.002 0.000 1.227 160 P CA -0.294 62.822 63.100 0.028 0.000 0.781 160 P CB 0.961 32.689 31.700 0.047 0.000 0.906 161 S N 1.659 117.356 115.700 -0.005 0.000 2.537 161 S HA 0.548 5.019 4.470 0.000 0.000 0.275 161 S C -0.254 174.284 174.600 -0.104 0.000 1.272 161 S CA -0.189 57.983 58.200 -0.048 0.000 1.050 161 S CB -0.408 62.775 63.200 -0.028 0.000 0.961 161 S HN 0.562 nan 8.310 nan 0.000 0.496 162 T N 2.928 117.360 114.554 -0.202 0.000 2.900 162 T HA 0.726 5.076 4.350 0.000 0.000 0.295 162 T C -3.078 171.327 174.700 -0.492 0.000 1.044 162 T CA -1.814 60.050 62.100 -0.393 0.000 0.995 162 T CB 1.180 69.864 68.868 -0.306 0.000 1.072 162 T HN 0.408 nan 8.240 nan 0.000 0.473 163 P HA 0.292 nan 4.420 nan 0.000 0.274 163 P C -0.404 176.632 177.300 -0.440 0.000 1.237 163 P CA -0.490 62.293 63.100 -0.527 0.000 0.793 163 P CB 0.303 31.598 31.700 -0.674 0.000 0.977 164 H N 1.002 119.955 119.070 -0.196 0.000 2.610 164 H HA 0.042 4.598 4.556 0.000 0.000 0.336 164 H C 1.018 176.290 175.328 -0.094 0.000 1.087 164 H CA 0.082 56.058 56.048 -0.119 0.000 1.405 164 H CB 1.246 30.957 29.762 -0.085 0.000 1.460 164 H HN 0.522 nan 8.280 nan 0.000 0.538 165 E N 1.637 121.848 120.200 0.019 0.000 2.219 165 E HA -0.192 4.158 4.350 0.000 0.000 0.198 165 E C 2.032 178.659 176.600 0.045 0.000 0.998 165 E CA 1.568 57.983 56.400 0.025 0.000 0.818 165 E CB 0.153 29.868 29.700 0.026 0.000 0.741 165 E HN 0.672 nan 8.360 nan 0.000 0.477 166 S N -0.052 115.691 115.700 0.073 0.000 2.383 166 S HA -0.312 4.158 4.470 0.000 0.000 0.229 166 S C 2.025 176.641 174.600 0.026 0.000 1.030 166 S CA 1.482 59.706 58.200 0.040 0.000 1.002 166 S CB -0.393 62.816 63.200 0.014 0.000 0.829 166 S HN 0.511 nan 8.310 nan 0.000 0.467 167 Q N 0.299 120.120 119.800 0.035 0.000 2.373 167 Q HA 0.396 4.736 4.340 0.000 0.000 0.210 167 Q C 0.362 176.371 176.000 0.015 0.000 0.913 167 Q CA 0.376 56.188 55.803 0.015 0.000 0.911 167 Q CB 0.031 28.772 28.738 0.005 0.000 1.040 167 Q HN 0.615 nan 8.270 nan 0.000 0.521 168 I N 2.510 123.087 120.570 0.012 0.000 2.542 168 I HA 0.392 4.562 4.170 0.000 0.000 0.278 168 I C -2.572 173.577 176.117 0.053 0.000 1.069 168 I CA -2.796 58.526 61.300 0.036 0.000 1.100 168 I CB 2.111 40.131 38.000 0.032 0.000 1.204 168 I HN -0.042 nan 8.210 nan 0.000 0.470 169 P HA 0.139 nan 4.420 nan 0.000 0.267 169 P C 0.894 178.240 177.300 0.076 0.000 1.205 169 P CA 0.639 63.771 63.100 0.054 0.000 0.765 169 P CB 0.787 32.512 31.700 0.042 0.000 0.828 170 G N 2.904 111.747 108.800 0.073 0.000 2.141 170 G HA2 -0.286 3.675 3.960 0.000 0.000 0.242 170 G HA3 -0.286 3.675 3.960 0.000 0.000 0.242 170 G C 1.093 176.087 174.900 0.158 0.000 0.982 170 G CA 0.276 45.431 45.100 0.091 0.000 0.662 170 G HN 0.650 nan 8.290 nan 0.000 0.527 171 A N 0.683 123.603 122.820 0.166 0.000 2.019 171 A HA 0.203 4.523 4.320 0.000 0.000 0.219 171 A C 2.616 180.391 177.584 0.319 0.000 1.164 171 A CA 2.537 54.754 52.037 0.301 0.000 0.644 171 A CB -0.636 18.339 19.000 -0.042 0.000 0.805 171 A HN 1.814 nan 8.150 nan 0.000 0.449 172 S N -0.388 115.397 115.700 0.141 0.000 2.547 172 S HA 0.037 4.508 4.470 0.000 0.000 0.235 172 S C 1.524 176.197 174.600 0.122 0.000 0.980 172 S CA 0.976 59.240 58.200 0.107 0.000 0.941 172 S CB -0.583 62.641 63.200 0.040 0.000 0.763 172 S HN 0.476 nan 8.310 nan 0.000 0.532 173 L N 0.957 122.260 121.223 0.133 0.000 2.395 173 L HA 0.251 4.591 4.340 0.000 0.000 0.218 173 L C 1.632 178.539 176.870 0.063 0.000 1.130 173 L CA 0.256 55.143 54.840 0.079 0.000 0.826 173 L CB -0.696 41.394 42.059 0.052 0.000 0.941 173 L HN 0.464 nan 8.230 nan 0.000 0.451 174 G N 0.191 109.072 108.800 0.135 0.000 2.477 174 G HA2 0.576 4.536 3.960 0.000 0.000 0.304 174 G HA3 0.576 4.536 3.960 0.000 0.000 0.304 174 G C -0.403 174.562 174.900 0.107 0.000 1.175 174 G CA -0.523 44.568 45.100 -0.014 0.000 0.907 174 G HN 0.110 nan 8.290 nan 0.000 0.509 175 I N -1.956 118.632 120.570 0.031 0.000 3.217 175 I HA 0.871 5.041 4.170 0.000 0.000 0.308 175 I C 0.431 176.629 176.117 0.136 0.000 1.091 175 I CA -0.956 60.399 61.300 0.092 0.000 1.013 175 I CB 2.235 40.263 38.000 0.046 0.000 1.250 175 I HN 0.614 nan 8.210 nan 0.000 0.496 176 T N -1.874 112.759 114.554 0.132 0.000 2.804 176 T HA 0.303 4.653 4.350 0.000 0.000 0.272 176 T C 1.024 175.778 174.700 0.091 0.000 0.986 176 T CA -0.002 62.175 62.100 0.127 0.000 0.999 176 T CB 1.040 69.980 68.868 0.121 0.000 1.307 176 T HN 0.803 nan 8.240 nan 0.000 0.586 177 S N -0.037 115.699 115.700 0.059 0.000 2.419 177 S HA -0.151 4.319 4.470 0.000 0.000 0.235 177 S C 1.231 175.935 174.600 0.173 0.000 1.019 177 S CA 1.379 59.597 58.200 0.029 0.000 0.982 177 S CB -0.909 62.293 63.200 0.003 0.000 0.789 177 S HN 0.697 nan 8.310 nan 0.000 0.490 178 D N 2.271 122.789 120.400 0.197 0.000 2.117 178 D HA 0.031 4.671 4.640 0.000 0.000 0.197 178 D C 2.203 178.639 176.300 0.226 0.000 0.987 178 D CA 1.445 55.594 54.000 0.249 0.000 0.829 178 D CB -1.049 39.841 40.800 0.149 0.000 0.961 178 D HN 0.551 nan 8.370 nan 0.000 0.460 179 G N -0.151 108.739 108.800 0.152 0.000 2.422 179 G HA2 -0.259 3.702 3.960 0.000 0.000 0.218 179 G HA3 -0.259 3.702 3.960 0.000 0.000 0.218 179 G C 1.471 176.432 174.900 0.102 0.000 1.140 179 G CA 0.210 45.378 45.100 0.113 0.000 0.775 179 G HN 0.269 nan 8.290 nan 0.000 0.545 180 F N 0.902 120.795 119.950 -0.094 0.000 2.161 180 F HA -0.011 4.516 4.527 0.000 0.000 0.300 180 F C 1.816 177.510 175.800 -0.175 0.000 1.089 180 F CA 1.093 58.968 58.000 -0.208 0.000 1.282 180 F CB -0.083 38.665 39.000 -0.421 0.000 1.010 180 F HN 0.105 nan 8.300 nan 0.000 0.485 181 F N 0.305 120.389 119.950 0.222 0.000 2.802 181 F HA 0.047 4.574 4.527 0.000 0.000 0.300 181 F C 2.029 177.872 175.800 0.073 0.000 1.168 181 F CA 0.602 58.680 58.000 0.130 0.000 1.433 181 F CB -0.614 38.494 39.000 0.180 0.000 1.115 181 F HN 0.135 nan 8.300 nan 0.000 0.582 182 Q N -0.296 119.610 119.800 0.177 0.000 2.319 182 Q HA 0.186 4.526 4.340 0.000 0.000 0.209 182 Q C 0.544 176.589 176.000 0.074 0.000 0.884 182 Q CA -0.041 55.837 55.803 0.124 0.000 0.938 182 Q CB 0.623 29.418 28.738 0.095 0.000 1.098 182 Q HN 0.317 nan 8.270 nan 0.000 0.517 183 L N 1.852 123.087 121.223 0.020 0.000 2.485 183 L HA -0.046 4.294 4.340 0.000 0.000 0.275 183 L C 1.248 178.161 176.870 0.072 0.000 1.207 183 L CA 0.578 55.377 54.840 -0.068 0.000 0.855 183 L CB 0.363 42.246 42.059 -0.293 0.000 1.114 183 L HN 0.181 nan 8.230 nan 0.000 0.485 184 E N 1.482 121.651 120.200 -0.052 0.000 2.473 184 E HA 0.116 4.466 4.350 0.000 0.000 0.204 184 E C -0.381 176.176 176.600 -0.072 0.000 0.994 184 E CA 0.129 56.564 56.400 0.058 0.000 0.945 184 E CB 0.898 30.616 29.700 0.031 0.000 0.990 184 E HN 0.610 nan 8.360 nan 0.000 0.493 185 E N 1.031 120.953 120.200 -0.463 0.000 2.393 185 E HA 0.296 4.646 4.350 0.000 0.000 0.273 185 E C -0.868 175.093 176.600 -1.065 0.000 0.918 185 E CA -1.090 54.982 56.400 -0.546 0.000 0.773 185 E CB 2.183 31.728 29.700 -0.258 0.000 1.275 185 E HN -0.101 nan 8.360 nan 0.000 0.451 186 L N 3.020 123.790 121.223 -0.756 0.000 2.418 186 L HA 0.241 4.581 4.340 0.000 0.000 0.274 186 L C -2.340 174.288 176.870 -0.404 0.000 1.135 186 L CA -1.098 53.339 54.840 -0.672 0.000 0.870 186 L CB -0.012 42.063 42.059 0.027 0.000 1.154 186 L HN 0.248 nan 8.230 nan 0.000 0.462 187 P HA 0.193 nan 4.420 nan 0.000 0.271 187 P C 0.547 177.772 177.300 -0.126 0.000 1.216 187 P CA -0.157 62.806 63.100 -0.230 0.000 0.771 187 P CB 0.987 32.566 31.700 -0.201 0.000 0.864 188 G N 2.448 111.190 108.800 -0.096 0.000 2.404 188 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 188 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 188 G C 0.547 175.420 174.900 -0.045 0.000 1.174 188 G CA 0.625 45.691 45.100 -0.056 0.000 0.780 188 G HN 0.512 nan 8.290 nan 0.000 0.537 189 R N 0.149 120.615 120.500 -0.056 0.000 2.532 189 R HA 0.529 4.869 4.340 0.000 0.000 0.297 189 R C -1.215 175.048 176.300 -0.061 0.000 0.984 189 R CA -0.274 55.797 56.100 -0.049 0.000 0.884 189 R CB 1.676 31.948 30.300 -0.047 0.000 1.182 189 R HN 0.182 nan 8.270 nan 0.000 0.442 190 S N 1.682 117.350 115.700 -0.054 0.000 2.536 190 S HA 0.743 5.213 4.470 0.000 0.000 0.287 190 S C -1.150 173.406 174.600 -0.072 0.000 1.101 190 S CA -0.845 57.316 58.200 -0.064 0.000 0.950 190 S CB 2.052 65.225 63.200 -0.044 0.000 1.056 190 S HN 0.257 nan 8.310 nan 0.000 0.481 191 V N 2.646 122.497 119.914 -0.105 0.000 2.483 191 V HA 0.509 4.629 4.120 0.000 0.000 0.297 191 V C -0.923 175.073 176.094 -0.163 0.000 1.027 191 V CA -0.526 61.699 62.300 -0.125 0.000 0.855 191 V CB 1.287 33.025 31.823 -0.142 0.000 0.995 191 V HN 0.914 nan 8.190 nan 0.000 0.424 192 I N 4.914 125.407 120.570 -0.127 0.000 2.404 192 I HA 0.508 4.678 4.170 0.000 0.000 0.293 192 I C -0.423 175.626 176.117 -0.112 0.000 0.992 192 I CA -0.661 60.562 61.300 -0.129 0.000 1.149 192 I CB 2.083 40.028 38.000 -0.091 0.000 1.315 192 I HN 0.283 nan 8.210 nan 0.000 0.446 193 V N 5.499 125.345 119.914 -0.113 0.000 2.370 193 V HA 0.946 5.066 4.120 0.000 0.000 0.283 193 V C 0.374 176.505 176.094 0.061 0.000 1.023 193 V CA -0.293 61.995 62.300 -0.019 0.000 0.857 193 V CB 0.732 32.562 31.823 0.011 0.000 0.985 193 V HN 1.046 nan 8.190 nan 0.000 0.443 194 G N 3.692 112.518 108.800 0.045 0.000 2.326 194 G HA2 0.507 4.467 3.960 0.000 0.000 0.413 194 G HA3 0.507 4.467 3.960 0.000 0.000 0.413 194 G C -0.391 174.515 174.900 0.009 0.000 1.444 194 G CA 0.038 45.165 45.100 0.046 0.000 1.002 194 G HN 1.293 nan 8.290 nan 0.000 0.649 195 A N -0.473 122.353 122.820 0.011 0.000 2.624 195 A HA 0.788 5.108 4.320 0.000 0.000 0.287 195 A C 1.041 178.615 177.584 -0.016 0.000 1.087 195 A CA 1.293 53.324 52.037 -0.010 0.000 0.964 195 A CB 0.011 19.012 19.000 0.001 0.000 1.231 195 A HN 2.107 nan 8.150 nan 0.000 0.551 196 G N -1.442 107.354 108.800 -0.006 0.000 2.568 196 G HA2 0.376 4.336 3.960 0.000 0.000 0.293 196 G HA3 0.376 4.336 3.960 0.000 0.000 0.293 196 G C 0.704 175.604 174.900 -0.000 0.000 1.347 196 G CA 0.077 45.192 45.100 0.026 0.000 1.039 196 G HN 0.597 nan 8.290 nan 0.000 0.523 197 Y N -0.797 119.491 120.300 -0.020 0.000 2.165 197 Y HA -0.119 4.432 4.550 0.000 0.000 0.286 197 Y C 2.315 178.205 175.900 -0.016 0.000 1.155 197 Y CA 1.734 59.810 58.100 -0.040 0.000 1.164 197 Y CB -0.456 38.009 38.460 0.009 0.000 0.978 197 Y HN 0.203 nan 8.280 nan 0.000 0.513 198 I N 1.071 121.244 120.570 -0.660 0.000 2.226 198 I HA -0.272 3.898 4.170 0.000 0.000 0.245 198 I C 2.876 178.852 176.117 -0.234 0.000 1.100 198 I CA 1.243 62.249 61.300 -0.490 0.000 1.374 198 I CB -0.760 36.937 38.000 -0.506 0.000 1.057 198 I HN 0.459 nan 8.210 nan 0.000 0.413 199 A N 0.479 123.197 122.820 -0.170 0.000 1.865 199 A HA -0.189 4.131 4.320 0.000 0.000 0.217 199 A C 2.440 179.977 177.584 -0.079 0.000 1.191 199 A CA 2.083 54.057 52.037 -0.106 0.000 0.623 199 A CB -1.099 17.862 19.000 -0.065 0.000 0.826 199 A HN 0.232 nan 8.150 nan 0.000 0.444 200 V N 0.104 119.984 119.914 -0.057 0.000 2.343 200 V HA -0.286 3.834 4.120 0.000 0.000 0.247 200 V C 2.458 178.567 176.094 0.025 0.000 1.051 200 V CA 2.390 64.679 62.300 -0.019 0.000 1.036 200 V CB -0.886 30.919 31.823 -0.031 0.000 0.654 200 V HN 0.648 nan 8.190 nan 0.000 0.451 201 E N -0.481 119.733 120.200 0.024 0.000 2.047 201 E HA -0.191 4.159 4.350 0.000 0.000 0.191 201 E C 2.325 178.946 176.600 0.035 0.000 0.987 201 E CA 1.394 57.847 56.400 0.088 0.000 0.799 201 E CB -0.194 29.577 29.700 0.118 0.000 0.752 201 E HN 0.460 nan 8.360 nan 0.000 0.449 202 M N 0.450 119.980 119.600 -0.118 0.000 2.086 202 M HA -0.097 4.383 4.480 0.000 0.000 0.261 202 M C 2.586 178.842 176.300 -0.074 0.000 1.067 202 M CA 1.228 56.380 55.300 -0.246 0.000 1.116 202 M CB -0.907 31.452 32.600 -0.402 0.000 1.348 202 M HN 0.094 nan 8.290 nan 0.000 0.407 203 A N 0.924 123.722 122.820 -0.037 0.000 1.908 203 A HA -0.067 4.253 4.320 0.000 0.000 0.218 203 A C 2.473 180.083 177.584 0.042 0.000 1.181 203 A CA 2.164 54.201 52.037 0.000 0.000 0.627 203 A CB -1.550 17.445 19.000 -0.009 0.000 0.818 203 A HN 0.543 nan 8.150 nan 0.000 0.445 204 G N -0.271 108.590 108.800 0.101 0.000 2.422 204 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 204 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 204 G C 1.521 176.469 174.900 0.081 0.000 1.146 204 G CA 1.138 46.337 45.100 0.165 0.000 0.769 204 G HN 0.486 nan 8.290 nan 0.000 0.547 205 I N 0.101 120.778 120.570 0.179 0.000 2.233 205 I HA -0.064 4.106 4.170 0.000 0.000 0.243 205 I C 2.714 178.908 176.117 0.128 0.000 1.093 205 I CA 0.563 61.963 61.300 0.168 0.000 1.380 205 I CB -0.182 37.977 38.000 0.266 0.000 1.067 205 I HN 0.104 nan 8.210 nan 0.000 0.413 206 L N -0.337 120.995 121.223 0.181 0.000 2.017 206 L HA -0.249 4.091 4.340 0.000 0.000 0.208 206 L C 2.747 179.666 176.870 0.082 0.000 1.073 206 L CA 1.544 56.500 54.840 0.193 0.000 0.745 206 L CB -0.572 41.592 42.059 0.175 0.000 0.894 206 L HN 0.244 nan 8.230 nan 0.000 0.432 207 S N -0.496 115.220 115.700 0.027 0.000 2.356 207 S HA -0.197 4.274 4.470 0.000 0.000 0.223 207 S C 2.107 176.681 174.600 -0.042 0.000 1.032 207 S CA 1.309 59.502 58.200 -0.011 0.000 1.005 207 S CB -0.147 63.036 63.200 -0.028 0.000 0.867 207 S HN 0.445 nan 8.310 nan 0.000 0.449 208 A N 0.975 123.726 122.820 -0.114 0.000 1.972 208 A HA 0.117 4.437 4.320 0.000 0.000 0.219 208 A C 1.977 179.475 177.584 -0.143 0.000 1.169 208 A CA 1.133 53.066 52.037 -0.174 0.000 0.635 208 A CB -0.576 18.204 19.000 -0.367 0.000 0.810 208 A HN 0.589 nan 8.150 nan 0.000 0.446 209 L N -1.483 119.662 121.223 -0.130 0.000 2.599 209 L HA 0.208 4.548 4.340 0.000 0.000 0.230 209 L C 1.607 178.487 176.870 0.017 0.000 1.141 209 L CA 0.551 55.284 54.840 -0.178 0.000 0.877 209 L CB -0.114 41.815 42.059 -0.218 0.000 1.009 209 L HN 0.587 nan 8.230 nan 0.000 0.447 210 G N -0.706 108.115 108.800 0.035 0.000 2.179 210 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 210 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 210 G C 0.348 175.282 174.900 0.056 0.000 0.990 210 G CA 0.197 45.335 45.100 0.064 0.000 0.646 210 G HN 0.264 nan 8.290 nan 0.000 0.517 211 S N 0.019 115.752 115.700 0.054 0.000 2.564 211 S HA 0.472 4.942 4.470 0.000 0.000 0.278 211 S C 0.612 175.217 174.600 0.009 0.000 1.333 211 S CA 0.256 58.472 58.200 0.026 0.000 1.048 211 S CB 0.811 64.026 63.200 0.025 0.000 0.900 211 S HN 0.605 nan 8.310 nan 0.000 0.505 212 K N 3.581 123.978 120.400 -0.005 0.000 2.262 212 K HA 0.219 4.539 4.320 0.000 0.000 0.288 212 K C -0.697 175.892 176.600 -0.018 0.000 1.090 212 K CA -0.005 56.276 56.287 -0.011 0.000 0.918 212 K CB -0.098 32.393 32.500 -0.015 0.000 1.139 212 K HN 0.502 nan 8.250 nan 0.000 0.462 213 T N 2.604 117.149 114.554 -0.016 0.000 2.824 213 T HA 0.356 4.706 4.350 0.000 0.000 0.280 213 T C -0.737 173.948 174.700 -0.026 0.000 0.995 213 T CA -0.718 61.370 62.100 -0.020 0.000 1.009 213 T CB 1.587 70.450 68.868 -0.010 0.000 0.955 213 T HN 0.457 nan 8.240 nan 0.000 0.452 214 S N 1.941 117.619 115.700 -0.037 0.000 2.536 214 S HA 0.688 5.158 4.470 0.000 0.000 0.298 214 S C -1.219 173.354 174.600 -0.046 0.000 1.083 214 S CA -0.729 57.448 58.200 -0.038 0.000 0.995 214 S CB 1.424 64.598 63.200 -0.043 0.000 1.058 214 S HN 0.563 nan 8.310 nan 0.000 0.488 215 L N 3.276 124.474 121.223 -0.040 0.000 2.343 215 L HA 0.606 4.946 4.340 0.000 0.000 0.278 215 L C -0.826 176.019 176.870 -0.041 0.000 0.996 215 L CA -0.289 54.525 54.840 -0.044 0.000 0.831 215 L CB 1.237 43.274 42.059 -0.037 0.000 1.232 215 L HN 0.773 nan 8.230 nan 0.000 0.413 216 M N 7.419 126.993 119.600 -0.043 0.000 2.061 216 M HA 0.498 4.978 4.480 0.000 0.000 0.346 216 M C -1.083 175.206 176.300 -0.018 0.000 1.112 216 M CA -0.581 54.701 55.300 -0.031 0.000 1.021 216 M CB 0.648 33.228 32.600 -0.033 0.000 1.530 216 M HN 0.713 nan 8.290 nan 0.000 0.437 217 I N 1.724 122.274 120.570 -0.034 0.000 2.646 217 I HA 0.488 4.658 4.170 0.000 0.000 0.299 217 I C 0.303 176.378 176.117 -0.070 0.000 1.036 217 I CA -0.926 60.351 61.300 -0.038 0.000 1.074 217 I CB 2.023 39.987 38.000 -0.058 0.000 1.258 217 I HN 0.719 nan 8.210 nan 0.000 0.430 218 R N 2.115 122.594 120.500 -0.035 0.000 2.189 218 R HA 0.106 4.446 4.340 0.000 0.000 0.218 218 R C 0.556 176.624 176.300 -0.387 0.000 1.074 218 R CA 0.930 56.959 56.100 -0.117 0.000 0.991 218 R CB -0.169 30.100 30.300 -0.051 0.000 0.883 218 R HN 0.718 nan 8.270 nan 0.000 0.457 219 H N -0.905 117.973 119.070 -0.321 0.000 3.787 219 H HA 0.086 4.642 4.556 0.000 0.000 0.292 219 H C 0.410 175.123 175.328 -1.024 0.000 1.590 219 H CA -0.301 55.353 56.048 -0.658 0.000 1.496 219 H CB 0.467 30.068 29.762 -0.269 0.000 0.861 219 H HN 0.054 nan 8.280 nan 0.000 0.793 220 D N 0.104 120.165 120.400 -0.565 0.000 2.417 220 D HA 0.126 4.766 4.640 0.000 0.000 0.207 220 D C 0.059 176.259 176.300 -0.168 0.000 1.075 220 D CA 0.321 54.072 54.000 -0.415 0.000 0.851 220 D CB 1.076 41.779 40.800 -0.162 0.000 0.976 220 D HN 0.145 nan 8.370 nan 0.000 0.505 221 K N 0.170 120.498 120.400 -0.120 0.000 2.482 221 K HA 0.502 4.822 4.320 0.000 0.000 0.257 221 K C -0.584 175.971 176.600 -0.075 0.000 0.969 221 K CA -1.079 55.160 56.287 -0.079 0.000 0.842 221 K CB 3.332 35.798 32.500 -0.058 0.000 1.359 221 K HN -0.071 nan 8.250 nan 0.000 0.441 222 V N -0.738 119.131 119.914 -0.074 0.000 2.997 222 V HA 0.430 4.551 4.120 0.000 0.000 0.311 222 V C 0.493 176.524 176.094 -0.105 0.000 1.066 222 V CA -0.873 61.379 62.300 -0.081 0.000 1.039 222 V CB 0.347 32.117 31.823 -0.089 0.000 1.081 222 V HN 0.824 nan 8.190 nan 0.000 0.467 223 L N -0.571 120.581 121.223 -0.120 0.000 3.678 223 L HA -0.208 4.132 4.340 0.000 0.000 0.425 223 L C 1.813 178.685 176.870 0.004 0.000 1.240 223 L CA 0.618 55.358 54.840 -0.166 0.000 0.876 223 L CB -1.352 40.365 42.059 -0.570 0.000 1.766 223 L HN 0.831 nan 8.230 nan 0.000 0.917 224 R N 0.295 120.800 120.500 0.008 0.000 2.241 224 R HA -0.115 4.226 4.340 0.000 0.000 0.224 224 R C 2.155 178.487 176.300 0.053 0.000 1.101 224 R CA 1.440 57.539 56.100 -0.001 0.000 0.995 224 R CB -0.107 30.142 30.300 -0.084 0.000 0.870 224 R HN 0.747 nan 8.270 nan 0.000 0.463 225 S N -0.536 115.253 115.700 0.150 0.000 2.558 225 S HA 0.068 4.538 4.470 0.000 0.000 0.217 225 S C 0.516 175.195 174.600 0.133 0.000 0.975 225 S CA -0.266 58.007 58.200 0.122 0.000 0.912 225 S CB 0.004 63.266 63.200 0.103 0.000 0.776 225 S HN -0.042 nan 8.310 nan 0.000 0.526 226 F N 2.911 122.827 119.950 -0.057 0.000 2.368 226 F HA 0.371 4.898 4.527 0.000 0.000 0.308 226 F C 1.066 176.779 175.800 -0.145 0.000 1.198 226 F CA -1.778 56.175 58.000 -0.080 0.000 1.130 226 F CB 0.079 39.044 39.000 -0.059 0.000 1.300 226 F HN 0.092 nan 8.300 nan 0.000 0.537 227 D N 0.198 120.538 120.400 -0.100 0.000 2.472 227 D HA -0.077 4.563 4.640 0.000 0.000 0.237 227 D C 1.154 177.399 176.300 -0.092 0.000 1.141 227 D CA 0.469 54.308 54.000 -0.269 0.000 0.875 227 D CB 1.075 41.404 40.800 -0.784 0.000 1.192 227 D HN 0.607 nan 8.370 nan 0.000 0.450 228 S N 3.509 119.161 115.700 -0.079 0.000 2.442 228 S HA -0.249 4.221 4.470 0.000 0.000 0.236 228 S C 2.035 176.619 174.600 -0.027 0.000 1.007 228 S CA 0.929 59.107 58.200 -0.037 0.000 0.965 228 S CB -0.258 62.923 63.200 -0.031 0.000 0.773 228 S HN 0.710 nan 8.310 nan 0.000 0.504 229 M N 0.492 120.072 119.600 -0.034 0.000 2.175 229 M HA -0.001 4.479 4.480 0.000 0.000 0.264 229 M C 1.473 177.772 176.300 -0.001 0.000 1.063 229 M CA 1.440 56.734 55.300 -0.010 0.000 1.119 229 M CB -0.178 32.426 32.600 0.006 0.000 1.377 229 M HN 0.267 nan 8.290 nan 0.000 0.415 230 I N 0.613 121.186 120.570 0.005 0.000 2.233 230 I HA -0.183 3.987 4.170 0.000 0.000 0.243 230 I C 2.707 178.808 176.117 -0.027 0.000 1.093 230 I CA 1.643 62.953 61.300 0.015 0.000 1.380 230 I CB -1.701 36.354 38.000 0.092 0.000 1.067 230 I HN 0.436 nan 8.210 nan 0.000 0.413 231 S N -0.120 115.567 115.700 -0.022 0.000 2.382 231 S HA -0.152 4.318 4.470 0.000 0.000 0.228 231 S C 1.987 176.561 174.600 -0.045 0.000 1.027 231 S CA 1.699 59.868 58.200 -0.052 0.000 0.991 231 S CB -1.033 62.144 63.200 -0.039 0.000 0.823 231 S HN 0.408 nan 8.310 nan 0.000 0.469 232 T N 2.562 117.100 114.554 -0.027 0.000 2.701 232 T HA -0.044 4.306 4.350 0.000 0.000 0.263 232 T C 1.850 176.538 174.700 -0.020 0.000 1.040 232 T CA 1.602 63.690 62.100 -0.020 0.000 1.147 232 T CB -0.771 68.091 68.868 -0.010 0.000 0.865 232 T HN 0.572 nan 8.240 nan 0.000 0.426 233 N N 0.235 118.924 118.700 -0.018 0.000 2.104 233 N HA -0.119 4.621 4.740 0.000 0.000 0.190 233 N C 2.081 177.577 175.510 -0.023 0.000 1.024 233 N CA 1.326 54.366 53.050 -0.016 0.000 0.853 233 N CB -0.688 37.792 38.487 -0.012 0.000 1.008 233 N HN 0.408 nan 8.380 nan 0.000 0.424 234 C N -0.420 118.858 119.300 -0.038 0.000 2.429 234 C HA -0.066 4.394 4.460 0.000 0.000 0.277 234 C C 2.520 177.488 174.990 -0.036 0.000 1.262 234 C CA 1.669 60.659 59.018 -0.047 0.000 1.733 234 C CB -1.546 26.135 27.740 -0.097 0.000 2.010 234 C HN 0.530 nan 8.230 nan 0.000 0.483 235 T N 0.617 115.146 114.554 -0.040 0.000 2.788 235 T HA -0.148 4.202 4.350 0.000 0.000 0.268 235 T C 1.554 176.241 174.700 -0.021 0.000 1.044 235 T CA 1.855 63.934 62.100 -0.034 0.000 1.139 235 T CB -0.336 68.509 68.868 -0.038 0.000 0.867 235 T HN 0.708 nan 8.240 nan 0.000 0.454 236 E N 0.872 121.063 120.200 -0.016 0.000 2.072 236 E HA -0.110 4.240 4.350 0.000 0.000 0.191 236 E C 2.415 179.010 176.600 -0.007 0.000 0.985 236 E CA 0.718 57.112 56.400 -0.011 0.000 0.801 236 E CB -0.054 29.641 29.700 -0.009 0.000 0.750 236 E HN 0.434 nan 8.360 nan 0.000 0.452 237 E N 0.844 121.042 120.200 -0.003 0.000 2.150 237 E HA -0.137 4.213 4.350 0.000 0.000 0.193 237 E C 2.284 178.893 176.600 0.015 0.000 0.985 237 E CA 0.554 56.959 56.400 0.008 0.000 0.814 237 E CB -0.096 29.617 29.700 0.021 0.000 0.752 237 E HN 0.296 nan 8.360 nan 0.000 0.466 238 L N 0.917 122.147 121.223 0.011 0.000 2.012 238 L HA -0.218 4.122 4.340 0.000 0.000 0.210 238 L C 2.374 179.243 176.870 -0.001 0.000 1.073 238 L CA 1.437 56.283 54.840 0.011 0.000 0.748 238 L CB -0.340 41.720 42.059 0.001 0.000 0.891 238 L HN 0.095 nan 8.230 nan 0.000 0.431 239 E N -0.200 119.996 120.200 -0.007 0.000 2.110 239 E HA -0.197 4.153 4.350 0.000 0.000 0.193 239 E C 1.867 178.459 176.600 -0.012 0.000 0.988 239 E CA 1.099 57.493 56.400 -0.010 0.000 0.804 239 E CB -0.164 29.530 29.700 -0.010 0.000 0.745 239 E HN 0.471 nan 8.360 nan 0.000 0.458 240 N N 0.698 119.391 118.700 -0.011 0.000 2.289 240 N HA -0.108 4.632 4.740 0.000 0.000 0.184 240 N C 1.247 176.746 175.510 -0.019 0.000 1.016 240 N CA 1.111 54.152 53.050 -0.016 0.000 0.872 240 N CB -0.057 38.421 38.487 -0.016 0.000 0.973 240 N HN 0.105 nan 8.380 nan 0.000 0.433 241 A N -0.444 122.368 122.820 -0.014 0.000 2.307 241 A HA 0.493 4.813 4.320 0.000 0.000 0.218 241 A C 1.395 178.959 177.584 -0.032 0.000 1.228 241 A CA 0.530 52.553 52.037 -0.023 0.000 0.857 241 A CB -0.214 18.775 19.000 -0.018 0.000 0.897 241 A HN 0.280 nan 8.150 nan 0.000 0.495 242 G N -1.517 107.267 108.800 -0.027 0.000 2.157 242 G HA2 -0.190 3.770 3.960 0.000 0.000 0.239 242 G HA3 -0.190 3.770 3.960 0.000 0.000 0.239 242 G C 0.125 175.012 174.900 -0.022 0.000 0.982 242 G CA 0.056 45.139 45.100 -0.027 0.000 0.650 242 G HN 0.735 nan 8.290 nan 0.000 0.527 243 V N 1.329 121.232 119.914 -0.018 0.000 2.488 243 V HA 0.382 4.502 4.120 0.000 0.000 0.277 243 V C 0.806 176.890 176.094 -0.017 0.000 1.046 243 V CA -0.163 62.128 62.300 -0.016 0.000 0.986 243 V CB 1.662 33.479 31.823 -0.011 0.000 0.989 243 V HN 0.432 nan 8.190 nan 0.000 0.475 244 E N 4.576 124.765 120.200 -0.018 0.000 2.180 244 E HA 0.279 4.629 4.350 0.000 0.000 0.283 244 E C -1.060 175.528 176.600 -0.020 0.000 1.061 244 E CA -0.453 55.937 56.400 -0.017 0.000 0.861 244 E CB 1.154 30.843 29.700 -0.017 0.000 1.056 244 E HN 0.514 nan 8.360 nan 0.000 0.407 245 V N 7.159 127.061 119.914 -0.019 0.000 2.348 245 V HA 0.159 4.279 4.120 0.000 0.000 0.270 245 V C 0.210 176.291 176.094 -0.021 0.000 1.037 245 V CA -0.521 61.764 62.300 -0.025 0.000 0.872 245 V CB 0.799 32.604 31.823 -0.030 0.000 1.002 245 V HN 0.651 nan 8.190 nan 0.000 0.464 246 L N 6.421 127.630 121.223 -0.022 0.000 2.282 246 L HA 0.393 4.733 4.340 0.000 0.000 0.287 246 L C 0.495 177.353 176.870 -0.021 0.000 1.075 246 L CA -0.257 54.577 54.840 -0.010 0.000 0.839 246 L CB 0.038 42.091 42.059 -0.009 0.000 1.219 246 L HN 0.573 nan 8.230 nan 0.000 0.434 247 K N 3.000 123.392 120.400 -0.014 0.000 2.154 247 K HA 0.334 4.654 4.320 0.000 0.000 0.264 247 K C -0.033 176.582 176.600 0.026 0.000 1.008 247 K CA -0.740 55.491 56.287 -0.093 0.000 0.937 247 K CB 0.497 32.920 32.500 -0.128 0.000 1.002 247 K HN 0.253 nan 8.250 nan 0.000 0.469 248 F N -0.269 119.668 119.950 -0.023 0.000 3.048 248 F HA -0.276 4.251 4.527 0.000 0.000 0.269 248 F C -0.267 175.506 175.800 -0.045 0.000 0.960 248 F CA 0.442 58.406 58.000 -0.060 0.000 0.909 248 F CB -2.012 36.958 39.000 -0.050 0.000 0.837 248 F HN 0.289 nan 8.300 nan 0.000 0.768 249 S N -0.347 115.391 115.700 0.063 0.000 2.536 249 S HA 0.814 5.284 4.470 0.000 0.000 0.298 249 S C -0.286 174.338 174.600 0.039 0.000 1.083 249 S CA -0.899 57.333 58.200 0.055 0.000 0.995 249 S CB 2.876 66.099 63.200 0.038 0.000 1.058 249 S HN 0.384 nan 8.310 nan 0.000 0.488 250 Q N -0.204 119.626 119.800 0.050 0.000 2.462 250 Q HA 0.699 5.039 4.340 0.000 0.000 0.285 250 Q C -1.649 174.400 176.000 0.081 0.000 1.035 250 Q CA -1.047 54.798 55.803 0.070 0.000 0.799 250 Q CB 1.093 29.875 28.738 0.072 0.000 1.452 250 Q HN 0.369 nan 8.270 nan 0.000 0.404 251 V N 2.395 122.387 119.914 0.129 0.000 2.583 251 V HA 0.103 4.223 4.120 0.000 0.000 0.287 251 V C 0.906 177.076 176.094 0.127 0.000 1.051 251 V CA 0.104 62.487 62.300 0.138 0.000 1.010 251 V CB 1.138 33.101 31.823 0.234 0.000 0.988 251 V HN 0.896 nan 8.190 nan 0.000 0.478 252 K N 3.080 123.534 120.400 0.091 0.000 2.313 252 K HA 0.204 4.525 4.320 0.000 0.000 0.197 252 K C 0.498 177.144 176.600 0.078 0.000 1.061 252 K CA 0.480 56.810 56.287 0.072 0.000 0.980 252 K CB 0.642 33.170 32.500 0.048 0.000 0.888 252 K HN 0.907 nan 8.250 nan 0.000 0.502 253 E N -0.479 119.771 120.200 0.084 0.000 2.396 253 E HA 0.222 4.572 4.350 0.000 0.000 0.280 253 E C -1.820 174.826 176.600 0.077 0.000 1.065 253 E CA -0.961 55.489 56.400 0.083 0.000 0.831 253 E CB 1.767 31.500 29.700 0.054 0.000 1.272 253 E HN -0.120 nan 8.360 nan 0.000 0.443 254 V N 1.750 121.714 119.914 0.083 0.000 2.709 254 V HA 0.621 4.741 4.120 0.000 0.000 0.308 254 V C -0.837 175.283 176.094 0.044 0.000 1.062 254 V CA -0.648 61.688 62.300 0.060 0.000 0.901 254 V CB 1.671 33.547 31.823 0.089 0.000 1.003 254 V HN 0.804 nan 8.190 nan 0.000 0.425 255 K N 1.777 122.190 120.400 0.022 0.000 2.502 255 K HA 0.752 5.072 4.320 0.000 0.000 0.257 255 K C -1.204 175.398 176.600 0.005 0.000 0.938 255 K CA -1.171 55.126 56.287 0.017 0.000 0.819 255 K CB 2.346 34.855 32.500 0.016 0.000 1.333 255 K HN 0.296 nan 8.250 nan 0.000 0.434 256 K N 2.267 122.670 120.400 0.005 0.000 2.292 256 K HA 0.127 4.447 4.320 0.000 0.000 0.290 256 K C -0.552 176.046 176.600 -0.004 0.000 1.083 256 K CA 0.070 56.356 56.287 -0.002 0.000 0.918 256 K CB 0.240 32.741 32.500 0.001 0.000 1.089 256 K HN 0.772 nan 8.250 nan 0.000 0.473 257 T N 0.348 114.897 114.554 -0.009 0.000 2.880 257 T HA 0.269 4.619 4.350 0.000 0.000 0.279 257 T C 1.523 176.217 174.700 -0.011 0.000 0.990 257 T CA -0.780 61.315 62.100 -0.009 0.000 0.938 257 T CB 0.417 69.278 68.868 -0.011 0.000 1.206 257 T HN 0.433 nan 8.240 nan 0.000 0.573 258 L N 0.050 121.267 121.223 -0.010 0.000 2.129 258 L HA -0.007 4.333 4.340 0.000 0.000 0.212 258 L C 0.946 177.807 176.870 -0.015 0.000 1.087 258 L CA 1.103 55.937 54.840 -0.011 0.000 0.757 258 L CB -0.287 41.766 42.059 -0.010 0.000 0.896 258 L HN 0.646 nan 8.230 nan 0.000 0.434 259 S N -0.408 115.281 115.700 -0.017 0.000 2.293 259 S HA 0.575 5.045 4.470 0.000 0.000 0.154 259 S C 0.038 174.622 174.600 -0.026 0.000 1.602 259 S CA 0.043 58.230 58.200 -0.022 0.000 1.260 259 S CB 1.228 64.416 63.200 -0.021 0.000 1.270 259 S HN 0.592 nan 8.310 nan 0.000 0.416 260 G N 1.764 110.547 108.800 -0.029 0.000 2.447 260 G HA2 -0.083 3.877 3.960 0.000 0.000 0.220 260 G HA3 -0.083 3.877 3.960 0.000 0.000 0.220 260 G C -1.295 173.587 174.900 -0.031 0.000 1.261 260 G CA -0.997 44.082 45.100 -0.035 0.000 1.000 260 G HN 0.545 nan 8.290 nan 0.000 0.515 261 L N 0.120 121.320 121.223 -0.039 0.000 2.332 261 L HA 0.813 5.153 4.340 0.000 0.000 0.269 261 L C 0.305 177.156 176.870 -0.033 0.000 1.016 261 L CA -0.773 54.047 54.840 -0.035 0.000 0.809 261 L CB 1.933 43.963 42.059 -0.048 0.000 1.280 261 L HN 0.818 nan 8.230 nan 0.000 0.447 262 E N 0.710 120.895 120.200 -0.024 0.000 2.218 262 E HA 0.458 4.808 4.350 0.000 0.000 0.263 262 E C -1.799 174.790 176.600 -0.018 0.000 0.879 262 E CA -0.594 55.793 56.400 -0.021 0.000 0.762 262 E CB 2.095 31.788 29.700 -0.012 0.000 1.166 262 E HN 0.297 nan 8.360 nan 0.000 0.415 263 V N 3.613 123.510 119.914 -0.027 0.000 2.370 263 V HA 0.293 4.413 4.120 0.000 0.000 0.279 263 V C -0.135 175.954 176.094 -0.008 0.000 1.029 263 V CA -0.597 61.688 62.300 -0.025 0.000 0.870 263 V CB 1.523 33.311 31.823 -0.058 0.000 0.984 263 V HN 0.662 nan 8.190 nan 0.000 0.451 264 S N 7.183 122.889 115.700 0.010 0.000 2.452 264 S HA 0.710 5.180 4.470 0.000 0.000 0.284 264 S C -0.195 174.420 174.600 0.024 0.000 1.171 264 S CA -0.539 57.671 58.200 0.017 0.000 1.064 264 S CB 0.618 63.832 63.200 0.024 0.000 0.967 264 S HN 0.784 nan 8.310 nan 0.000 0.484 265 M N 1.946 121.558 119.600 0.019 0.000 2.572 265 M HA 0.782 5.262 4.480 0.000 0.000 0.299 265 M C -1.574 174.741 176.300 0.026 0.000 1.205 265 M CA -0.948 54.368 55.300 0.026 0.000 0.876 265 M CB 1.575 34.186 32.600 0.019 0.000 1.728 265 M HN 0.178 nan 8.290 nan 0.000 0.458 266 V N 1.536 121.469 119.914 0.032 0.000 2.398 266 V HA 0.529 4.649 4.120 0.000 0.000 0.286 266 V C -0.334 175.783 176.094 0.038 0.000 1.026 266 V CA -0.310 62.007 62.300 0.030 0.000 0.868 266 V CB 1.745 33.585 31.823 0.028 0.000 0.982 266 V HN 0.993 nan 8.190 nan 0.000 0.443 267 T N 4.372 118.948 114.554 0.037 0.000 2.770 267 T HA 0.625 4.975 4.350 0.000 0.000 0.283 267 T C 0.060 174.783 174.700 0.039 0.000 0.988 267 T CA -0.219 61.916 62.100 0.057 0.000 0.957 267 T CB 1.366 70.266 68.868 0.053 0.000 0.930 267 T HN 0.835 nan 8.240 nan 0.000 0.443 268 A N 3.853 126.703 122.820 0.051 0.000 3.105 268 A HA 0.589 4.909 4.320 0.000 0.000 0.336 268 A C 0.124 177.614 177.584 -0.157 0.000 1.042 268 A CA -0.516 51.505 52.037 -0.026 0.000 0.851 268 A CB 0.100 19.089 19.000 -0.018 0.000 1.068 268 A HN 0.670 nan 8.150 nan 0.000 0.477 269 V N 2.793 122.580 119.914 -0.212 0.000 2.585 269 V HA 0.148 4.268 4.120 0.000 0.000 0.296 269 V C -1.983 173.824 176.094 -0.478 0.000 1.035 269 V CA -0.742 61.252 62.300 -0.511 0.000 1.084 269 V CB 0.832 32.511 31.823 -0.239 0.000 0.953 269 V HN 0.608 nan 8.190 nan 0.000 0.483 270 P HA 0.309 nan 4.420 nan 0.000 0.276 270 P C 0.661 177.828 177.300 -0.222 0.000 1.230 270 P CA 0.787 63.673 63.100 -0.357 0.000 0.776 270 P CB 0.857 32.367 31.700 -0.317 0.000 0.888 271 G N 1.316 110.031 108.800 -0.141 0.000 2.132 271 G HA2 -0.219 3.741 3.960 0.000 0.000 0.228 271 G HA3 -0.219 3.741 3.960 0.000 0.000 0.228 271 G C 0.105 174.955 174.900 -0.082 0.000 1.000 271 G CA -0.217 44.828 45.100 -0.092 0.000 0.693 271 G HN 0.690 nan 8.290 nan 0.000 0.515 272 R N -1.508 118.937 120.500 -0.093 0.000 2.752 272 R HA 0.723 5.063 4.340 0.000 0.000 0.271 272 R C -0.287 175.976 176.300 -0.061 0.000 1.026 272 R CA -0.941 55.117 56.100 -0.071 0.000 0.901 272 R CB 0.901 31.150 30.300 -0.084 0.000 1.243 272 R HN 0.113 nan 8.270 nan 0.000 0.463 273 L N 3.024 124.222 121.223 -0.043 0.000 2.371 273 L HA 0.444 4.784 4.340 0.000 0.000 0.272 273 L C -1.811 175.040 176.870 -0.031 0.000 1.124 273 L CA -1.872 52.948 54.840 -0.033 0.000 0.816 273 L CB 0.859 42.905 42.059 -0.022 0.000 1.129 273 L HN 0.473 nan 8.230 nan 0.000 0.448 274 P HA 0.056 nan 4.420 nan 0.000 0.267 274 P C -0.909 176.386 177.300 -0.008 0.000 1.200 274 P CA -0.037 63.053 63.100 -0.017 0.000 0.772 274 P CB 1.088 32.781 31.700 -0.011 0.000 0.855 275 V N 4.112 124.026 119.914 -0.001 0.000 2.686 275 V HA 0.455 4.575 4.120 0.000 0.000 0.306 275 V C -0.803 175.296 176.094 0.008 0.000 1.065 275 V CA -0.888 61.414 62.300 0.002 0.000 0.894 275 V CB 1.806 33.630 31.823 0.002 0.000 1.004 275 V HN 0.393 nan 8.190 nan 0.000 0.424 276 M N 4.918 124.522 119.600 0.007 0.000 2.264 276 M HA 0.520 5.000 4.480 0.000 0.000 0.352 276 M C -0.519 175.786 176.300 0.008 0.000 1.173 276 M CA -0.074 55.232 55.300 0.010 0.000 1.075 276 M CB 1.779 34.385 32.600 0.009 0.000 1.621 276 M HN 0.791 nan 8.290 nan 0.000 0.457 277 T N 3.448 118.008 114.554 0.009 0.000 2.893 277 T HA 0.547 4.898 4.350 0.000 0.000 0.293 277 T C -0.826 173.876 174.700 0.003 0.000 1.027 277 T CA -0.669 61.434 62.100 0.005 0.000 0.988 277 T CB 1.868 70.740 68.868 0.005 0.000 1.043 277 T HN 0.500 nan 8.240 nan 0.000 0.461 278 M N 2.785 122.385 119.600 -0.000 0.000 2.300 278 M HA 0.552 5.032 4.480 0.000 0.000 0.348 278 M C -0.999 175.296 176.300 -0.009 0.000 1.151 278 M CA -0.718 54.580 55.300 -0.003 0.000 1.046 278 M CB 0.674 33.273 32.600 -0.003 0.000 1.647 278 M HN 0.500 nan 8.290 nan 0.000 0.451 279 I N 6.740 127.301 120.570 -0.015 0.000 2.354 279 I HA 0.441 4.611 4.170 0.000 0.000 0.286 279 I C -2.272 173.829 176.117 -0.027 0.000 1.007 279 I CA -1.709 59.577 61.300 -0.024 0.000 1.167 279 I CB 1.325 39.305 38.000 -0.033 0.000 1.320 279 I HN 0.440 nan 8.210 nan 0.000 0.458 280 P HA 0.305 nan 4.420 nan 0.000 0.287 280 P C -0.951 176.332 177.300 -0.029 0.000 1.279 280 P CA -0.286 62.800 63.100 -0.023 0.000 0.867 280 P CB 1.063 32.753 31.700 -0.018 0.000 1.127 281 D N -1.587 118.795 120.400 -0.029 0.000 2.699 281 D HA -0.100 4.540 4.640 0.000 0.000 0.239 281 D C -0.438 175.837 176.300 -0.041 0.000 1.136 281 D CA 0.689 54.670 54.000 -0.032 0.000 0.668 281 D CB -1.843 38.940 40.800 -0.027 0.000 1.060 281 D HN 0.069 nan 8.370 nan 0.000 0.429 282 V N 1.090 120.975 119.914 -0.048 0.000 2.432 282 V HA 0.090 4.210 4.120 0.000 0.000 0.275 282 V C 1.406 177.460 176.094 -0.067 0.000 1.043 282 V CA -0.277 61.986 62.300 -0.062 0.000 0.925 282 V CB 1.797 33.576 31.823 -0.074 0.000 0.985 282 V HN 0.019 nan 8.190 nan 0.000 0.466 283 D N 1.919 122.275 120.400 -0.074 0.000 2.197 283 D HA 0.022 4.662 4.640 0.000 0.000 0.212 283 D C 0.610 176.854 176.300 -0.094 0.000 0.963 283 D CA 0.930 54.880 54.000 -0.083 0.000 0.864 283 D CB 0.413 41.158 40.800 -0.093 0.000 1.009 283 D HN 0.550 nan 8.370 nan 0.000 0.479 284 C N 1.679 120.918 119.300 -0.102 0.000 2.346 284 C HA 0.609 5.069 4.460 0.000 0.000 0.326 284 C C -1.111 173.797 174.990 -0.137 0.000 1.224 284 C CA -0.919 58.034 59.018 -0.109 0.000 1.408 284 C CB -0.344 27.336 27.740 -0.100 0.000 2.089 284 C HN 0.143 nan 8.230 nan 0.000 0.456 285 L N 7.145 128.259 121.223 -0.181 0.000 2.298 285 L HA 0.702 5.042 4.340 0.000 0.000 0.284 285 L C -1.015 175.639 176.870 -0.360 0.000 1.013 285 L CA -0.166 54.490 54.840 -0.305 0.000 0.824 285 L CB 1.199 43.033 42.059 -0.376 0.000 1.221 285 L HN 0.787 nan 8.230 nan 0.000 0.418 286 L N 5.554 126.570 121.223 -0.344 0.000 2.319 286 L HA 0.491 4.831 4.340 0.000 0.000 0.281 286 L C -1.282 175.437 176.870 -0.253 0.000 1.005 286 L CA -0.429 54.269 54.840 -0.236 0.000 0.828 286 L CB 0.970 42.965 42.059 -0.107 0.000 1.227 286 L HN 0.695 nan 8.230 nan 0.000 0.415 287 W N 4.963 126.247 121.300 -0.027 0.000 2.388 287 W HA 0.501 5.161 4.660 0.000 0.000 0.308 287 W C 0.378 176.870 176.519 -0.045 0.000 1.263 287 W CA -0.644 56.682 57.345 -0.031 0.000 1.286 287 W CB 1.244 30.689 29.460 -0.026 0.000 1.294 287 W HN 0.580 nan 8.180 nan 0.000 0.493 288 A N 5.295 128.222 122.820 0.178 0.000 3.253 288 A HA 0.265 4.585 4.320 0.000 0.000 0.290 288 A C 0.550 178.174 177.584 0.065 0.000 0.950 288 A CA -0.451 51.623 52.037 0.062 0.000 0.986 288 A CB -0.660 18.321 19.000 -0.033 0.000 1.104 288 A HN 0.808 nan 8.150 nan 0.000 0.481 289 I N -3.646 116.987 120.570 0.105 0.000 3.860 289 I HA 0.592 4.763 4.170 0.000 0.000 0.319 289 I C 0.696 176.841 176.117 0.046 0.000 1.279 289 I CA 0.401 61.750 61.300 0.080 0.000 1.220 289 I CB 0.431 38.487 38.000 0.093 0.000 1.027 289 I HN 0.443 nan 8.210 nan 0.000 0.428 290 G N 1.255 110.077 108.800 0.035 0.000 2.362 290 G HA2 0.257 4.217 3.960 0.000 0.000 0.288 290 G HA3 0.257 4.217 3.960 0.000 0.000 0.288 290 G C -1.608 173.315 174.900 0.039 0.000 1.305 290 G CA -1.049 44.076 45.100 0.041 0.000 0.910 290 G HN 0.155 nan 8.290 nan 0.000 0.518 291 R N -1.046 119.489 120.500 0.060 0.000 2.725 291 R HA 0.733 5.073 4.340 0.000 0.000 0.277 291 R C -1.090 175.248 176.300 0.064 0.000 0.987 291 R CA -0.736 55.401 56.100 0.061 0.000 0.901 291 R CB 2.146 32.496 30.300 0.084 0.000 1.207 291 R HN 1.030 nan 8.270 nan 0.000 0.463 292 V N 2.751 122.684 119.914 0.032 0.000 2.667 292 V HA 0.574 4.694 4.120 0.000 0.000 0.308 292 V C -2.321 173.771 176.094 -0.003 0.000 1.048 292 V CA -2.545 59.749 62.300 -0.010 0.000 0.928 292 V CB 2.201 34.006 31.823 -0.030 0.000 1.004 292 V HN 0.573 nan 8.190 nan 0.000 0.444 293 P HA 0.198 nan 4.420 nan 0.000 0.275 293 P C -0.984 176.319 177.300 0.005 0.000 1.228 293 P CA -0.258 62.845 63.100 0.004 0.000 0.786 293 P CB 0.450 32.139 31.700 -0.019 0.000 0.927 294 N N 1.592 120.316 118.700 0.039 0.000 2.918 294 N HA 0.109 4.849 4.740 0.000 0.000 0.247 294 N C 0.312 175.859 175.510 0.062 0.000 1.117 294 N CA 0.131 53.209 53.050 0.046 0.000 1.005 294 N CB -0.215 38.303 38.487 0.052 0.000 1.297 294 N HN 0.394 nan 8.380 nan 0.000 0.513 295 T N -2.044 112.544 114.554 0.055 0.000 3.041 295 T HA 0.132 4.482 4.350 0.000 0.000 0.276 295 T C 1.496 176.244 174.700 0.080 0.000 0.948 295 T CA -0.253 61.892 62.100 0.074 0.000 0.885 295 T CB 0.358 69.261 68.868 0.058 0.000 1.175 295 T HN 0.071 nan 8.240 nan 0.000 0.529 296 K N 1.961 122.399 120.400 0.063 0.000 2.059 296 K HA -0.141 4.179 4.320 0.000 0.000 0.212 296 K C 0.555 177.205 176.600 0.085 0.000 1.050 296 K CA 1.722 58.044 56.287 0.058 0.000 0.927 296 K CB -0.358 32.166 32.500 0.041 0.000 0.714 296 K HN 0.395 nan 8.250 nan 0.000 0.447 297 D N 0.404 120.880 120.400 0.126 0.000 2.427 297 D HA 0.060 4.700 4.640 0.000 0.000 0.224 297 D C 1.121 177.575 176.300 0.257 0.000 1.157 297 D CA -0.005 54.097 54.000 0.170 0.000 0.828 297 D CB 0.369 41.243 40.800 0.125 0.000 0.974 297 D HN 0.188 nan 8.370 nan 0.000 0.498 298 L N -0.241 121.095 121.223 0.188 0.000 2.529 298 L HA 0.001 4.341 4.340 0.000 0.000 0.223 298 L C 0.578 177.602 176.870 0.257 0.000 1.113 298 L CA 0.203 55.153 54.840 0.183 0.000 0.861 298 L CB 0.070 42.258 42.059 0.215 0.000 1.012 298 L HN -0.129 nan 8.230 nan 0.000 0.461 299 S N -0.096 115.725 115.700 0.201 0.000 3.749 299 S HA -0.168 4.302 4.470 0.000 0.000 0.348 299 S C 1.205 175.922 174.600 0.194 0.000 1.045 299 S CA 0.176 58.486 58.200 0.183 0.000 1.051 299 S CB -1.681 61.629 63.200 0.183 0.000 0.898 299 S HN 0.333 nan 8.310 nan 0.000 0.472 300 L N 1.358 122.668 121.223 0.145 0.000 2.079 300 L HA -0.196 4.144 4.340 0.000 0.000 0.210 300 L C 2.514 179.354 176.870 -0.051 0.000 1.081 300 L CA 1.930 56.777 54.840 0.012 0.000 0.752 300 L CB -0.595 41.471 42.059 0.012 0.000 0.896 300 L HN 0.721 nan 8.230 nan 0.000 0.433 301 N N 0.516 119.215 118.700 -0.001 0.000 2.443 301 N HA -0.212 4.528 4.740 0.000 0.000 0.184 301 N C 1.407 176.908 175.510 -0.015 0.000 1.037 301 N CA 0.903 53.945 53.050 -0.012 0.000 0.896 301 N CB -0.213 38.278 38.487 0.007 0.000 0.959 301 N HN 0.438 nan 8.380 nan 0.000 0.442 302 K N 0.307 120.708 120.400 0.002 0.000 2.365 302 K HA 0.113 4.433 4.320 0.000 0.000 0.199 302 K C 1.477 178.058 176.600 -0.032 0.000 1.045 302 K CA 0.574 56.867 56.287 0.010 0.000 0.962 302 K CB 0.173 32.708 32.500 0.060 0.000 0.759 302 K HN 0.242 nan 8.250 nan 0.000 0.469 303 L N -0.969 120.194 121.223 -0.100 0.000 2.858 303 L HA 0.219 4.559 4.340 0.000 0.000 0.251 303 L C 0.718 177.510 176.870 -0.130 0.000 1.149 303 L CA -0.090 54.660 54.840 -0.150 0.000 0.955 303 L CB 0.797 42.674 42.059 -0.303 0.000 1.289 303 L HN 0.272 nan 8.230 nan 0.000 0.542 304 G N 1.767 110.508 108.800 -0.098 0.000 2.221 304 G HA2 -0.284 3.676 3.960 0.000 0.000 0.265 304 G HA3 -0.284 3.676 3.960 0.000 0.000 0.265 304 G C 0.129 174.975 174.900 -0.090 0.000 1.041 304 G CA -0.115 44.941 45.100 -0.073 0.000 0.807 304 G HN 0.287 nan 8.290 nan 0.000 0.502 305 I N 0.507 121.001 120.570 -0.126 0.000 2.533 305 I HA 0.100 4.270 4.170 0.000 0.000 0.284 305 I C 1.219 177.299 176.117 -0.061 0.000 1.109 305 I CA 0.026 61.253 61.300 -0.121 0.000 1.412 305 I CB 0.745 38.633 38.000 -0.186 0.000 1.396 305 I HN 0.221 nan 8.210 nan 0.000 0.543 306 Q N 4.959 124.734 119.800 -0.041 0.000 2.313 306 Q HA 0.200 4.540 4.340 0.000 0.000 0.266 306 Q C -0.035 175.966 176.000 0.002 0.000 0.989 306 Q CA 0.079 55.873 55.803 -0.016 0.000 0.890 306 Q CB 0.998 29.731 28.738 -0.009 0.000 1.200 306 Q HN 0.746 nan 8.270 nan 0.000 0.396 307 T N -1.367 113.193 114.554 0.010 0.000 2.907 307 T HA 0.439 4.789 4.350 0.000 0.000 0.290 307 T C -0.449 174.270 174.700 0.032 0.000 1.066 307 T CA -1.096 61.021 62.100 0.029 0.000 1.012 307 T CB 1.505 70.385 68.868 0.020 0.000 1.184 307 T HN 0.558 nan 8.240 nan 0.000 0.522 308 D N -0.306 120.127 120.400 0.055 0.000 2.507 308 D HA 0.217 4.857 4.640 0.000 0.000 0.280 308 D C 0.735 177.051 176.300 0.026 0.000 1.219 308 D CA -0.419 53.613 54.000 0.054 0.000 1.085 308 D CB -0.013 40.849 40.800 0.103 0.000 1.134 308 D HN 0.602 nan 8.370 nan 0.000 0.583 309 D N -1.452 118.963 120.400 0.025 0.000 2.347 309 D HA -0.111 4.529 4.640 0.000 0.000 0.215 309 D C 0.885 177.172 176.300 -0.022 0.000 0.976 309 D CA 0.640 54.641 54.000 0.002 0.000 0.884 309 D CB -0.092 40.710 40.800 0.003 0.000 0.915 309 D HN 0.164 nan 8.370 nan 0.000 0.526 310 K N -0.250 120.125 120.400 -0.041 0.000 2.404 310 K HA 0.284 4.604 4.320 0.000 0.000 0.194 310 K C 1.513 177.971 176.600 -0.237 0.000 1.023 310 K CA 0.599 56.802 56.287 -0.140 0.000 1.094 310 K CB 0.397 32.782 32.500 -0.190 0.000 0.841 310 K HN 0.330 nan 8.250 nan 0.000 0.523 311 G N 1.538 110.244 108.800 -0.158 0.000 2.159 311 G HA2 -0.240 3.720 3.960 0.000 0.000 0.227 311 G HA3 -0.240 3.720 3.960 0.000 0.000 0.227 311 G C -0.393 174.431 174.900 -0.126 0.000 0.986 311 G CA -0.134 44.892 45.100 -0.124 0.000 0.651 311 G HN 0.504 nan 8.290 nan 0.000 0.523 312 H N -0.271 118.811 119.070 0.021 0.000 2.707 312 H HA 0.536 5.092 4.556 0.000 0.000 0.359 312 H C 1.025 176.365 175.328 0.020 0.000 1.113 312 H CA 0.002 56.063 56.048 0.022 0.000 1.422 312 H CB 0.891 30.662 29.762 0.014 0.000 1.443 312 H HN 0.273 nan 8.280 nan 0.000 0.591 313 I N 3.676 124.347 120.570 0.167 0.000 2.441 313 I HA 0.007 4.177 4.170 0.000 0.000 0.287 313 I C -0.037 176.129 176.117 0.082 0.000 1.049 313 I CA -0.214 61.145 61.300 0.099 0.000 1.381 313 I CB 0.571 38.624 38.000 0.089 0.000 1.409 313 I HN 0.362 nan 8.210 nan 0.000 0.523 314 I N 7.344 127.945 120.570 0.052 0.000 2.395 314 I HA 0.299 4.469 4.170 0.000 0.000 0.289 314 I C 0.220 176.355 176.117 0.030 0.000 1.023 314 I CA -0.178 61.140 61.300 0.030 0.000 1.350 314 I CB 0.878 38.890 38.000 0.020 0.000 1.409 314 I HN 0.276 nan 8.210 nan 0.000 0.507 315 V N 2.625 122.553 119.914 0.023 0.000 3.130 315 V HA 0.698 4.819 4.120 0.000 0.000 0.310 315 V C -0.547 175.566 176.094 0.031 0.000 1.158 315 V CA -0.964 61.364 62.300 0.048 0.000 1.029 315 V CB 2.093 33.960 31.823 0.074 0.000 1.057 315 V HN 0.721 nan 8.190 nan 0.000 0.436 316 D N 0.446 120.888 120.400 0.070 0.000 2.507 316 D HA 0.188 4.828 4.640 0.000 0.000 0.280 316 D C 1.052 177.365 176.300 0.022 0.000 1.219 316 D CA 0.167 54.204 54.000 0.060 0.000 1.085 316 D CB 0.311 41.189 40.800 0.131 0.000 1.134 316 D HN 0.825 nan 8.370 nan 0.000 0.583 317 E N -0.782 119.379 120.200 -0.065 0.000 2.409 317 E HA -0.139 4.212 4.350 0.000 0.000 0.198 317 E C 0.634 177.046 176.600 -0.313 0.000 1.024 317 E CA 0.719 56.980 56.400 -0.231 0.000 0.861 317 E CB -0.477 28.998 29.700 -0.375 0.000 0.788 317 E HN 0.414 nan 8.360 nan 0.000 0.521 318 F N 1.018 121.021 119.950 0.088 0.000 2.639 318 F HA 0.232 4.759 4.527 0.000 0.000 0.302 318 F C 0.403 176.274 175.800 0.119 0.000 1.097 318 F CA -0.264 57.789 58.000 0.087 0.000 1.294 318 F CB 0.576 39.620 39.000 0.072 0.000 1.027 318 F HN -0.166 nan 8.300 nan 0.000 0.550 319 Q N -1.173 118.779 119.800 0.254 0.000 2.424 319 Q HA -0.208 4.132 4.340 0.000 0.000 0.234 319 Q C -0.770 175.429 176.000 0.331 0.000 0.748 319 Q CA 0.442 56.395 55.803 0.250 0.000 1.286 319 Q CB -2.382 26.495 28.738 0.232 0.000 1.494 319 Q HN 0.394 nan 8.270 nan 0.000 0.683 320 N N 1.882 120.782 118.700 0.333 0.000 2.530 320 N HA 0.203 4.943 4.740 0.000 0.000 0.273 320 N C 0.842 176.429 175.510 0.128 0.000 1.173 320 N CA 0.823 54.041 53.050 0.280 0.000 0.967 320 N CB 1.003 39.632 38.487 0.236 0.000 1.109 320 N HN 0.378 nan 8.380 nan 0.000 0.453 321 T N -1.404 113.168 114.554 0.030 0.000 2.833 321 T HA 0.133 4.483 4.350 0.000 0.000 0.292 321 T C 1.270 175.958 174.700 -0.020 0.000 1.031 321 T CA -0.604 61.493 62.100 -0.005 0.000 0.937 321 T CB 0.362 69.199 68.868 -0.051 0.000 1.256 321 T HN 0.534 nan 8.240 nan 0.000 0.551 322 N N -0.545 118.134 118.700 -0.034 0.000 2.467 322 N HA 0.016 4.756 4.740 0.000 0.000 0.184 322 N C -0.046 175.432 175.510 -0.054 0.000 1.106 322 N CA -0.022 53.010 53.050 -0.030 0.000 0.892 322 N CB -0.337 38.134 38.487 -0.025 0.000 0.969 322 N HN 0.376 nan 8.380 nan 0.000 0.454 323 V N 1.423 121.282 119.914 -0.091 0.000 2.394 323 V HA 0.186 4.306 4.120 0.000 0.000 0.282 323 V C 0.418 176.431 176.094 -0.134 0.000 1.031 323 V CA -1.023 61.210 62.300 -0.112 0.000 0.881 323 V CB 1.349 33.081 31.823 -0.153 0.000 0.982 323 V HN 0.048 nan 8.190 nan 0.000 0.451 324 K N 3.113 123.454 120.400 -0.098 0.000 2.484 324 K HA 0.326 4.647 4.320 0.000 0.000 0.280 324 K C 1.229 177.742 176.600 -0.145 0.000 1.013 324 K CA 1.057 57.287 56.287 -0.095 0.000 1.029 324 K CB 0.284 32.758 32.500 -0.043 0.000 0.902 324 K HN 1.146 nan 8.250 nan 0.000 0.481 325 G N 2.721 111.395 108.800 -0.209 0.000 2.148 325 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 325 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 325 G C 0.014 174.635 174.900 -0.465 0.000 0.981 325 G CA -0.190 44.778 45.100 -0.220 0.000 0.670 325 G HN 0.552 nan 8.290 nan 0.000 0.528 326 I N 0.142 120.293 120.570 -0.699 0.000 2.447 326 I HA 0.556 4.726 4.170 0.000 0.000 0.287 326 I C -0.303 175.431 176.117 -0.639 0.000 1.023 326 I CA -1.096 59.913 61.300 -0.486 0.000 1.083 326 I CB 1.397 39.266 38.000 -0.218 0.000 1.245 326 I HN 0.048 nan 8.210 nan 0.000 0.434 327 Y N 4.099 124.493 120.300 0.156 0.000 2.602 327 Y HA 0.853 5.403 4.550 0.000 0.000 0.342 327 Y C 0.066 176.047 175.900 0.134 0.000 1.029 327 Y CA -1.154 57.034 58.100 0.146 0.000 1.080 327 Y CB 1.911 40.477 38.460 0.177 0.000 1.284 327 Y HN 0.565 nan 8.280 nan 0.000 0.485 328 A N 0.955 123.944 122.820 0.282 0.000 2.486 328 A HA 0.861 5.181 4.320 0.000 0.000 0.300 328 A C -1.354 176.338 177.584 0.181 0.000 1.048 328 A CA -0.591 51.562 52.037 0.195 0.000 0.696 328 A CB 1.344 20.429 19.000 0.142 0.000 1.278 328 A HN 1.181 nan 8.150 nan 0.000 0.405 329 V N -0.671 119.333 119.914 0.150 0.000 3.159 329 V HA 1.008 5.128 4.120 0.000 0.000 0.308 329 V C 0.423 176.583 176.094 0.110 0.000 1.190 329 V CA 0.279 62.662 62.300 0.137 0.000 1.037 329 V CB 0.984 32.887 31.823 0.133 0.000 1.060 329 V HN 2.968 nan 8.190 nan 0.000 0.437 330 G N 1.977 110.845 108.800 0.113 0.000 2.584 330 G HA2 -0.196 3.764 3.960 0.000 0.000 0.229 330 G HA3 -0.196 3.764 3.960 0.000 0.000 0.229 330 G C 0.032 174.987 174.900 0.091 0.000 1.320 330 G CA 0.641 45.796 45.100 0.092 0.000 0.891 330 G HN 1.149 nan 8.290 nan 0.000 0.573 331 D N -0.734 119.717 120.400 0.084 0.000 2.228 331 D HA -0.058 4.582 4.640 0.000 0.000 0.203 331 D C 2.421 178.795 176.300 0.125 0.000 0.988 331 D CA 1.382 55.439 54.000 0.095 0.000 0.864 331 D CB -0.152 40.704 40.800 0.093 0.000 0.928 331 D HN 0.542 nan 8.370 nan 0.000 0.469 332 V N -0.338 119.648 119.914 0.121 0.000 2.913 332 V HA -0.190 3.930 4.120 0.000 0.000 0.260 332 V C 1.765 177.977 176.094 0.197 0.000 1.098 332 V CA 1.217 63.609 62.300 0.155 0.000 1.121 332 V CB -0.181 31.712 31.823 0.117 0.000 0.714 332 V HN 0.323 nan 8.190 nan 0.000 0.487 333 C N 0.402 119.771 119.300 0.116 0.000 2.673 333 C HA 0.421 4.881 4.460 0.000 0.000 0.264 333 C C 2.011 176.919 174.990 -0.137 0.000 1.304 333 C CA 0.181 59.225 59.018 0.042 0.000 1.727 333 C CB -0.922 26.830 27.740 0.020 0.000 1.932 333 C HN 0.827 nan 8.230 nan 0.000 0.563 334 G N 1.780 110.487 108.800 -0.155 0.000 2.153 334 G HA2 -0.278 3.682 3.960 0.000 0.000 0.252 334 G HA3 -0.278 3.682 3.960 0.000 0.000 0.252 334 G C -0.061 174.658 174.900 -0.302 0.000 0.994 334 G CA 0.808 45.634 45.100 -0.456 0.000 0.698 334 G HN 0.744 nan 8.290 nan 0.000 0.521 335 K N -1.137 119.165 120.400 -0.163 0.000 2.345 335 K HA 0.761 5.081 4.320 0.000 0.000 0.255 335 K C 0.474 177.076 176.600 0.004 0.000 0.934 335 K CA -0.095 56.116 56.287 -0.127 0.000 0.801 335 K CB 1.925 34.286 32.500 -0.231 0.000 1.137 335 K HN 1.701 nan 8.250 nan 0.000 0.424 336 A N 3.788 126.627 122.820 0.031 0.000 2.136 336 A HA -0.125 4.195 4.320 0.000 0.000 0.274 336 A C -0.175 177.460 177.584 0.084 0.000 1.388 336 A CA 0.357 52.444 52.037 0.082 0.000 0.741 336 A CB -1.932 17.176 19.000 0.179 0.000 1.173 336 A HN 0.756 nan 8.150 nan 0.000 0.329 337 L N 1.703 122.972 121.223 0.077 0.000 2.376 337 L HA 0.358 4.698 4.340 0.000 0.000 0.250 337 L C 0.208 177.135 176.870 0.095 0.000 1.335 337 L CA 0.285 55.184 54.840 0.098 0.000 1.214 337 L CB -0.698 41.439 42.059 0.129 0.000 1.395 337 L HN 0.574 nan 8.230 nan 0.000 0.424 338 L N -0.265 120.995 121.223 0.062 0.000 2.409 338 L HA 0.361 4.701 4.340 0.000 0.000 0.262 338 L C 1.167 178.054 176.870 0.029 0.000 0.992 338 L CA -0.466 54.395 54.840 0.034 0.000 0.817 338 L CB 2.210 44.264 42.059 -0.008 0.000 1.350 338 L HN 0.008 nan 8.230 nan 0.000 0.411 339 T N 0.821 115.388 114.554 0.022 0.000 2.746 339 T HA -0.046 4.304 4.350 0.000 0.000 0.267 339 T C -1.151 173.547 174.700 -0.003 0.000 1.039 339 T CA 1.671 63.775 62.100 0.007 0.000 1.142 339 T CB -0.412 68.456 68.868 -0.001 0.000 0.866 339 T HN 0.447 nan 8.240 nan 0.000 0.444 340 P HA 0.040 nan 4.420 nan 0.000 0.221 340 P C 1.524 178.804 177.300 -0.033 0.000 1.150 340 P CA 0.490 63.580 63.100 -0.017 0.000 0.800 340 P CB -0.141 31.547 31.700 -0.019 0.000 0.787 341 V N 0.417 120.312 119.914 -0.032 0.000 2.307 341 V HA -0.218 3.902 4.120 0.000 0.000 0.245 341 V C 2.521 178.600 176.094 -0.026 0.000 1.045 341 V CA 2.214 64.479 62.300 -0.058 0.000 1.024 341 V CB -1.749 30.066 31.823 -0.013 0.000 0.651 341 V HN 0.090 nan 8.190 nan 0.000 0.449 342 A N 0.040 122.870 122.820 0.016 0.000 1.883 342 A HA -0.197 4.123 4.320 0.000 0.000 0.217 342 A C 2.202 179.796 177.584 0.016 0.000 1.186 342 A CA 2.057 54.114 52.037 0.033 0.000 0.624 342 A CB -0.600 18.419 19.000 0.032 0.000 0.822 342 A HN 0.492 nan 8.150 nan 0.000 0.444 343 I N -0.278 120.292 120.570 0.001 0.000 2.099 343 I HA -0.336 3.834 4.170 0.000 0.000 0.239 343 I C 3.022 179.141 176.117 0.003 0.000 1.066 343 I CA 1.331 62.633 61.300 0.003 0.000 1.324 343 I CB -0.406 37.593 38.000 -0.002 0.000 1.037 343 I HN 0.372 nan 8.210 nan 0.000 0.401 344 A N 0.514 123.320 122.820 -0.023 0.000 1.902 344 A HA -0.176 4.144 4.320 0.000 0.000 0.217 344 A C 2.500 180.062 177.584 -0.036 0.000 1.181 344 A CA 1.974 53.987 52.037 -0.041 0.000 0.623 344 A CB -0.889 18.058 19.000 -0.088 0.000 0.818 344 A HN 0.470 nan 8.150 nan 0.000 0.443 345 A N -0.584 122.210 122.820 -0.042 0.000 1.898 345 A HA 0.173 4.493 4.320 0.000 0.000 0.216 345 A C 2.402 180.015 177.584 0.049 0.000 1.181 345 A CA 1.800 53.837 52.037 -0.001 0.000 0.620 345 A CB -1.327 17.704 19.000 0.051 0.000 0.819 345 A HN 0.716 nan 8.150 nan 0.000 0.442 346 G N -0.512 108.321 108.800 0.055 0.000 2.418 346 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 346 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 346 G C 1.791 176.738 174.900 0.078 0.000 1.158 346 G CA 0.907 46.055 45.100 0.079 0.000 0.771 346 G HN 0.559 nan 8.290 nan 0.000 0.545 347 R N 0.069 120.611 120.500 0.069 0.000 2.066 347 R HA 0.029 4.369 4.340 0.000 0.000 0.232 347 R C 2.639 179.036 176.300 0.161 0.000 1.131 347 R CA 1.050 57.210 56.100 0.101 0.000 0.955 347 R CB -0.150 30.215 30.300 0.109 0.000 0.851 347 R HN 0.116 nan 8.270 nan 0.000 0.432 348 K N 0.812 121.279 120.400 0.110 0.000 2.103 348 K HA -0.155 4.165 4.320 0.000 0.000 0.207 348 K C 2.067 178.712 176.600 0.075 0.000 1.048 348 K CA 0.913 57.261 56.287 0.100 0.000 0.930 348 K CB -0.428 32.096 32.500 0.039 0.000 0.716 348 K HN 0.105 nan 8.250 nan 0.000 0.444 349 L N 1.120 122.363 121.223 0.032 0.000 2.046 349 L HA -0.081 4.260 4.340 0.000 0.000 0.208 349 L C 2.217 178.990 176.870 -0.162 0.000 1.077 349 L CA 1.923 56.726 54.840 -0.062 0.000 0.747 349 L CB -0.827 41.206 42.059 -0.044 0.000 0.896 349 L HN 0.137 nan 8.230 nan 0.000 0.432 350 A N -1.378 121.389 122.820 -0.088 0.000 1.908 350 A HA -0.255 4.065 4.320 0.000 0.000 0.218 350 A C 2.235 179.696 177.584 -0.204 0.000 1.181 350 A CA 1.801 53.756 52.037 -0.137 0.000 0.627 350 A CB -1.005 17.932 19.000 -0.106 0.000 0.818 350 A HN 0.685 nan 8.150 nan 0.000 0.445 351 H N -0.998 118.011 119.070 -0.101 0.000 2.387 351 H HA -0.102 4.455 4.556 0.000 0.000 0.299 351 H C 2.320 177.526 175.328 -0.202 0.000 1.090 351 H CA 1.778 57.759 56.048 -0.112 0.000 1.332 351 H CB -0.117 29.608 29.762 -0.062 0.000 1.386 351 H HN 0.570 nan 8.280 nan 0.000 0.516 352 R N 0.817 121.255 120.500 -0.103 0.000 2.073 352 R HA -0.077 4.263 4.340 0.000 0.000 0.234 352 R C 2.372 178.402 176.300 -0.450 0.000 1.134 352 R CA 0.959 56.939 56.100 -0.200 0.000 0.952 352 R CB -0.085 30.133 30.300 -0.136 0.000 0.850 352 R HN 0.203 nan 8.270 nan 0.000 0.433 353 L N -0.786 120.016 121.223 -0.701 0.000 2.095 353 L HA -0.026 4.314 4.340 0.000 0.000 0.204 353 L C 1.581 177.525 176.870 -1.543 0.000 1.080 353 L CA 0.971 55.078 54.840 -1.223 0.000 0.759 353 L CB -0.158 40.809 42.059 -1.821 0.000 0.914 353 L HN 0.178 nan 8.230 nan 0.000 0.439 354 F N -1.177 118.359 119.950 -0.689 0.000 2.721 354 F HA 0.111 4.638 4.527 0.000 0.000 0.301 354 F C 2.007 177.427 175.800 -0.633 0.000 1.096 354 F CA 0.080 57.690 58.000 -0.650 0.000 1.308 354 F CB 0.145 38.873 39.000 -0.453 0.000 1.086 354 F HN -0.005 nan 8.300 nan 0.000 0.587 355 E N -1.106 118.818 120.200 -0.460 0.000 2.583 355 E HA 0.049 4.399 4.350 0.000 0.000 0.213 355 E C -0.285 176.236 176.600 -0.132 0.000 0.989 355 E CA -0.047 56.239 56.400 -0.189 0.000 0.991 355 E CB 0.175 29.901 29.700 0.043 0.000 1.040 355 E HN 0.311 nan 8.360 nan 0.000 0.481 356 Y N -0.367 119.894 120.300 -0.065 0.000 4.079 356 Y HA -0.285 4.265 4.550 0.000 0.000 0.223 356 Y C -0.330 175.543 175.900 -0.046 0.000 1.155 356 Y CA 0.674 58.732 58.100 -0.071 0.000 1.805 356 Y CB -2.040 36.393 38.460 -0.046 0.000 1.571 356 Y HN 0.024 nan 8.280 nan 0.000 0.654 357 K N 1.940 122.341 120.400 0.001 0.000 2.150 357 K HA 0.107 4.427 4.320 0.000 0.000 0.261 357 K C 1.017 177.614 176.600 -0.005 0.000 1.127 357 K CA 0.398 56.698 56.287 0.020 0.000 0.989 357 K CB 0.334 32.850 32.500 0.028 0.000 1.475 357 K HN 0.659 nan 8.250 nan 0.000 0.391 358 E N 1.320 121.512 120.200 -0.014 0.000 2.333 358 E HA -0.204 4.146 4.350 0.000 0.000 0.198 358 E C 0.672 177.257 176.600 -0.025 0.000 1.007 358 E CA 1.397 57.749 56.400 -0.080 0.000 0.845 358 E CB 0.075 29.716 29.700 -0.098 0.000 0.766 358 E HN 0.456 nan 8.360 nan 0.000 0.507 359 D N 0.826 121.279 120.400 0.088 0.000 2.339 359 D HA -0.037 4.604 4.640 0.000 0.000 0.217 359 D C 0.205 176.646 176.300 0.236 0.000 1.050 359 D CA -0.093 54.033 54.000 0.210 0.000 0.856 359 D CB 0.100 40.971 40.800 0.118 0.000 0.922 359 D HN 0.046 nan 8.370 nan 0.000 0.518 360 S N 0.574 116.379 115.700 0.175 0.000 2.430 360 S HA 0.301 4.771 4.470 0.000 0.000 0.282 360 S C -0.210 174.508 174.600 0.196 0.000 1.186 360 S CA -0.498 57.777 58.200 0.125 0.000 1.060 360 S CB -0.228 63.013 63.200 0.068 0.000 0.966 360 S HN 0.412 nan 8.310 nan 0.000 0.501 361 K N 2.973 123.435 120.400 0.103 0.000 2.579 361 K HA 0.530 4.850 4.320 0.000 0.000 0.284 361 K C -1.674 174.906 176.600 -0.035 0.000 0.990 361 K CA -1.177 55.133 56.287 0.038 0.000 0.880 361 K CB 0.566 32.997 32.500 -0.115 0.000 1.488 361 K HN 0.369 nan 8.250 nan 0.000 0.425 362 L N 1.610 122.795 121.223 -0.064 0.000 2.326 362 L HA 0.345 4.685 4.340 0.000 0.000 0.278 362 L C -0.814 175.960 176.870 -0.161 0.000 1.092 362 L CA 0.284 55.017 54.840 -0.178 0.000 0.810 362 L CB 1.095 42.931 42.059 -0.371 0.000 1.153 362 L HN 0.726 nan 8.230 nan 0.000 0.439 363 D N 3.073 123.382 120.400 -0.151 0.000 2.316 363 D HA 0.069 4.709 4.640 0.000 0.000 0.245 363 D C -0.049 176.182 176.300 -0.114 0.000 1.171 363 D CA 0.214 54.174 54.000 -0.066 0.000 0.856 363 D CB 0.525 41.296 40.800 -0.049 0.000 1.090 363 D HN 0.497 nan 8.370 nan 0.000 0.476 364 Y N 2.062 122.332 120.300 -0.050 0.000 2.471 364 Y HA 0.159 4.709 4.550 0.000 0.000 0.286 364 Y C 0.452 176.328 175.900 -0.040 0.000 1.188 364 Y CA -0.223 57.850 58.100 -0.044 0.000 1.286 364 Y CB -0.327 38.103 38.460 -0.049 0.000 1.072 364 Y HN 0.293 nan 8.280 nan 0.000 0.517 365 N N 0.002 118.746 118.700 0.073 0.000 2.495 365 N HA 0.153 4.893 4.740 0.000 0.000 0.280 365 N C -0.345 175.171 175.510 0.011 0.000 1.168 365 N CA -0.485 52.590 53.050 0.041 0.000 0.978 365 N CB 0.298 38.805 38.487 0.033 0.000 1.191 365 N HN 0.114 nan 8.380 nan 0.000 0.497 366 N N -0.614 118.091 118.700 0.008 0.000 2.735 366 N HA -0.189 4.551 4.740 0.000 0.000 0.248 366 N C -1.192 174.307 175.510 -0.019 0.000 1.083 366 N CA 0.097 53.146 53.050 -0.002 0.000 0.703 366 N CB -1.196 37.296 38.487 0.008 0.000 1.005 366 N HN 0.449 nan 8.380 nan 0.000 0.550 367 I N 1.394 121.948 120.570 -0.027 0.000 2.416 367 I HA 0.236 4.406 4.170 0.000 0.000 0.288 367 I C -1.646 174.443 176.117 -0.047 0.000 1.051 367 I CA -1.587 59.687 61.300 -0.043 0.000 1.375 367 I CB 0.595 38.570 38.000 -0.042 0.000 1.407 367 I HN -0.080 nan 8.210 nan 0.000 0.516 368 P HA 0.354 nan 4.420 nan 0.000 0.281 368 P C -1.053 176.209 177.300 -0.063 0.000 1.249 368 P CA -0.403 62.670 63.100 -0.044 0.000 0.810 368 P CB 1.245 32.932 31.700 -0.022 0.000 1.008 369 T N 0.101 114.610 114.554 -0.074 0.000 2.912 369 T HA 0.455 4.805 4.350 0.000 0.000 0.299 369 T C -0.651 173.985 174.700 -0.106 0.000 1.052 369 T CA -0.508 61.533 62.100 -0.098 0.000 0.996 369 T CB 1.446 70.249 68.868 -0.108 0.000 1.070 369 T HN 0.106 nan 8.240 nan 0.000 0.465 370 V N 2.458 122.259 119.914 -0.189 0.000 2.604 370 V HA 0.568 4.688 4.120 0.000 0.000 0.305 370 V C -0.532 175.291 176.094 -0.451 0.000 1.043 370 V CA -0.731 61.353 62.300 -0.359 0.000 0.888 370 V CB 2.075 33.564 31.823 -0.557 0.000 0.995 370 V HN 0.776 nan 8.190 nan 0.000 0.429 371 V N 5.033 124.690 119.914 -0.428 0.000 2.384 371 V HA 0.403 4.523 4.120 0.000 0.000 0.287 371 V C -0.357 175.412 176.094 -0.542 0.000 1.020 371 V CA -0.397 61.714 62.300 -0.315 0.000 0.850 371 V CB 1.354 33.086 31.823 -0.151 0.000 0.987 371 V HN 0.731 nan 8.190 nan 0.000 0.436 372 F N 3.959 123.739 119.950 -0.284 0.000 2.659 372 F HA 0.229 4.756 4.527 0.000 0.000 0.360 372 F C 1.420 177.053 175.800 -0.277 0.000 1.218 372 F CA -0.118 57.498 58.000 -0.639 0.000 1.317 372 F CB -0.206 38.150 39.000 -1.074 0.000 1.697 372 F HN 0.597 nan 8.300 nan 0.000 0.637 373 S N -0.583 115.077 115.700 -0.066 0.000 2.623 373 S HA 0.440 4.910 4.470 0.000 0.000 0.278 373 S C -0.375 174.205 174.600 -0.032 0.000 1.148 373 S CA -0.788 57.440 58.200 0.048 0.000 1.028 373 S CB 0.833 64.051 63.200 0.029 0.000 1.145 373 S HN 0.384 nan 8.310 nan 0.000 0.523 374 H N 1.360 120.560 119.070 0.216 0.000 2.887 374 H HA 0.444 5.000 4.556 0.000 0.000 0.300 374 H C -2.670 172.708 175.328 0.084 0.000 1.038 374 H CA -1.459 54.682 56.048 0.155 0.000 1.352 374 H CB 0.984 30.778 29.762 0.054 0.000 1.473 374 H HN 0.456 nan 8.280 nan 0.000 0.503 375 P HA 0.160 nan 4.420 nan 0.000 0.276 375 P C -2.594 174.759 177.300 0.090 0.000 1.261 375 P CA -1.736 61.450 63.100 0.143 0.000 0.800 375 P CB 0.245 32.017 31.700 0.120 0.000 1.066 376 P HA 0.227 nan 4.420 nan 0.000 0.272 376 P C -0.359 176.877 177.300 -0.106 0.000 1.230 376 P CA 0.323 63.369 63.100 -0.090 0.000 0.788 376 P CB 0.504 32.082 31.700 -0.204 0.000 0.949 377 I N 0.325 120.786 120.570 -0.182 0.000 2.474 377 I HA 0.579 4.749 4.170 0.000 0.000 0.294 377 I C 0.649 176.701 176.117 -0.108 0.000 1.005 377 I CA -0.441 60.801 61.300 -0.095 0.000 1.113 377 I CB 2.114 40.070 38.000 -0.074 0.000 1.289 377 I HN 0.339 nan 8.210 nan 0.000 0.436 378 G N 2.430 111.216 108.800 -0.023 0.000 2.617 378 G HA2 0.619 4.579 3.960 0.000 0.000 0.306 378 G HA3 0.619 4.579 3.960 0.000 0.000 0.306 378 G C -1.228 173.700 174.900 0.047 0.000 1.360 378 G CA -0.370 44.719 45.100 -0.019 0.000 0.983 378 G HN 0.475 nan 8.290 nan 0.000 0.496 379 T N -0.512 114.064 114.554 0.036 0.000 2.923 379 T HA 0.667 5.017 4.350 0.000 0.000 0.311 379 T C -1.674 172.997 174.700 -0.047 0.000 1.183 379 T CA -0.540 61.581 62.100 0.035 0.000 1.020 379 T CB 1.954 70.907 68.868 0.143 0.000 1.165 379 T HN 1.232 nan 8.240 nan 0.000 0.482 380 V N 3.911 123.759 119.914 -0.111 0.000 2.891 380 V HA 0.800 4.920 4.120 0.000 0.000 0.304 380 V C 0.280 176.313 176.094 -0.102 0.000 1.171 380 V CA 1.113 63.364 62.300 -0.082 0.000 0.943 380 V CB 0.997 32.798 31.823 -0.037 0.000 1.037 380 V HN 1.849 nan 8.190 nan 0.000 0.427 381 G N 4.999 113.774 108.800 -0.042 0.000 2.545 381 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 381 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 381 G C -0.725 174.205 174.900 0.050 0.000 1.314 381 G CA -0.276 44.821 45.100 -0.006 0.000 0.906 381 G HN 1.250 nan 8.290 nan 0.000 0.563 382 L N 1.674 122.949 121.223 0.087 0.000 2.397 382 L HA 0.475 4.815 4.340 0.000 0.000 0.271 382 L C 1.770 178.785 176.870 0.241 0.000 1.148 382 L CA -0.070 54.848 54.840 0.130 0.000 0.825 382 L CB 0.935 43.079 42.059 0.142 0.000 1.117 382 L HN 1.022 nan 8.230 nan 0.000 0.456 383 T N -2.124 112.499 114.554 0.115 0.000 2.788 383 T HA 0.039 4.389 4.350 0.000 0.000 0.287 383 T C 0.948 175.674 174.700 0.044 0.000 1.007 383 T CA -0.523 61.560 62.100 -0.028 0.000 1.005 383 T CB 1.274 70.051 68.868 -0.151 0.000 1.012 383 T HN 0.756 nan 8.240 nan 0.000 0.530 384 E N 0.182 120.378 120.200 -0.006 0.000 2.085 384 E HA -0.223 4.127 4.350 0.000 0.000 0.194 384 E C 1.353 177.974 176.600 0.035 0.000 0.994 384 E CA 1.557 57.974 56.400 0.029 0.000 0.801 384 E CB -0.107 29.594 29.700 0.001 0.000 0.743 384 E HN 0.672 nan 8.360 nan 0.000 0.453 385 D N 0.379 120.786 120.400 0.011 0.000 2.117 385 D HA -0.142 4.499 4.640 0.000 0.000 0.198 385 D C 1.745 178.078 176.300 0.054 0.000 0.982 385 D CA 0.991 55.006 54.000 0.024 0.000 0.828 385 D CB -0.134 40.663 40.800 -0.004 0.000 0.967 385 D HN 0.351 nan 8.370 nan 0.000 0.464 386 E N 0.757 120.983 120.200 0.043 0.000 2.110 386 E HA -0.108 4.242 4.350 0.000 0.000 0.193 386 E C 2.068 178.747 176.600 0.131 0.000 0.988 386 E CA 0.968 57.408 56.400 0.066 0.000 0.804 386 E CB -0.009 29.713 29.700 0.036 0.000 0.745 386 E HN 0.175 nan 8.360 nan 0.000 0.458 387 A N 0.888 123.802 122.820 0.157 0.000 1.968 387 A HA -0.111 4.209 4.320 0.000 0.000 0.217 387 A C 2.130 179.869 177.584 0.259 0.000 1.169 387 A CA 0.789 52.990 52.037 0.273 0.000 0.638 387 A CB -0.386 18.750 19.000 0.227 0.000 0.812 387 A HN 0.126 nan 8.150 nan 0.000 0.446 388 I N -1.158 119.506 120.570 0.155 0.000 2.252 388 I HA -0.238 3.933 4.170 0.000 0.000 0.245 388 I C 2.565 178.746 176.117 0.106 0.000 1.102 388 I CA 1.538 62.910 61.300 0.119 0.000 1.385 388 I CB -0.385 37.662 38.000 0.077 0.000 1.064 388 I HN 0.552 nan 8.210 nan 0.000 0.414 389 H N 1.539 120.618 119.070 0.015 0.000 2.457 389 H HA -0.183 4.373 4.556 0.000 0.000 0.294 389 H C 2.082 177.373 175.328 -0.062 0.000 1.064 389 H CA 1.693 57.730 56.048 -0.018 0.000 1.330 389 H CB 0.271 30.017 29.762 -0.025 0.000 1.395 389 H HN 0.269 nan 8.280 nan 0.000 0.541 390 K N -0.526 119.818 120.400 -0.093 0.000 2.128 390 K HA -0.070 4.250 4.320 0.000 0.000 0.202 390 K C 1.125 177.432 176.600 -0.487 0.000 1.050 390 K CA 0.990 57.063 56.287 -0.356 0.000 0.966 390 K CB 0.150 32.374 32.500 -0.459 0.000 0.759 390 K HN 0.193 nan 8.250 nan 0.000 0.454 391 Y N -0.699 119.576 120.300 -0.042 0.000 2.483 391 Y HA 0.354 4.904 4.550 0.000 0.000 0.258 391 Y C 0.458 176.332 175.900 -0.042 0.000 1.083 391 Y CA 0.085 58.163 58.100 -0.038 0.000 1.283 391 Y CB 1.469 39.918 38.460 -0.018 0.000 1.178 391 Y HN 0.165 nan 8.280 nan 0.000 0.515 392 G N 0.821 109.677 108.800 0.092 0.000 2.907 392 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 392 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 392 G C 0.347 175.281 174.900 0.056 0.000 1.115 392 G CA -0.375 44.752 45.100 0.045 0.000 0.760 392 G HN 0.072 nan 8.290 nan 0.000 0.620 393 I N 1.258 121.848 120.570 0.033 0.000 2.236 393 I HA -0.255 3.916 4.170 0.000 0.000 0.249 393 I C 2.769 178.892 176.117 0.010 0.000 1.102 393 I CA 2.550 63.863 61.300 0.021 0.000 1.365 393 I CB -0.528 37.479 38.000 0.011 0.000 1.051 393 I HN 0.921 nan 8.210 nan 0.000 0.420 394 E N 0.694 120.900 120.200 0.011 0.000 2.274 394 E HA -0.178 4.172 4.350 0.000 0.000 0.194 394 E C 0.939 177.537 176.600 -0.002 0.000 0.996 394 E CA 0.889 57.290 56.400 0.001 0.000 0.840 394 E CB -0.310 29.392 29.700 0.003 0.000 0.772 394 E HN 0.553 nan 8.360 nan 0.000 0.491 395 N N 0.880 119.588 118.700 0.012 0.000 2.230 395 N HA 0.115 4.855 4.740 0.000 0.000 0.202 395 N C -0.591 174.890 175.510 -0.049 0.000 1.119 395 N CA 0.083 53.130 53.050 -0.004 0.000 0.851 395 N CB 1.633 40.145 38.487 0.041 0.000 0.990 395 N HN -0.022 nan 8.380 nan 0.000 0.497 396 V N 1.167 121.061 119.914 -0.034 0.000 2.495 396 V HA 0.336 4.456 4.120 0.000 0.000 0.298 396 V C -0.098 175.948 176.094 -0.080 0.000 1.031 396 V CA -0.776 61.489 62.300 -0.058 0.000 0.871 396 V CB 2.182 34.004 31.823 -0.002 0.000 0.988 396 V HN 0.001 nan 8.190 nan 0.000 0.432 397 K N 3.034 123.366 120.400 -0.114 0.000 2.443 397 K HA 0.750 5.070 4.320 0.000 0.000 0.252 397 K C -0.454 176.012 176.600 -0.224 0.000 0.933 397 K CA -0.285 55.891 56.287 -0.186 0.000 0.792 397 K CB 2.125 34.511 32.500 -0.189 0.000 1.185 397 K HN 0.841 nan 8.250 nan 0.000 0.425 398 T N 0.134 114.513 114.554 -0.292 0.000 2.932 398 T HA 0.549 4.899 4.350 0.000 0.000 0.289 398 T C -1.023 173.408 174.700 -0.448 0.000 1.039 398 T CA -0.570 61.396 62.100 -0.223 0.000 1.024 398 T CB 0.674 69.490 68.868 -0.087 0.000 1.090 398 T HN 0.408 nan 8.240 nan 0.000 0.496 399 Y N 0.607 120.882 120.300 -0.043 0.000 2.462 399 Y HA 0.654 5.204 4.550 0.000 0.000 0.346 399 Y C 0.436 176.324 175.900 -0.019 0.000 0.976 399 Y CA -0.542 57.536 58.100 -0.036 0.000 1.044 399 Y CB 2.631 41.054 38.460 -0.062 0.000 1.230 399 Y HN 1.146 nan 8.280 nan 0.000 0.455 400 S N 0.492 116.283 115.700 0.153 0.000 2.607 400 S HA 0.860 5.330 4.470 0.000 0.000 0.273 400 S C -1.051 173.621 174.600 0.120 0.000 1.148 400 S CA -0.809 57.458 58.200 0.112 0.000 0.833 400 S CB 2.347 65.593 63.200 0.076 0.000 1.130 400 S HN 0.631 nan 8.310 nan 0.000 0.470 401 T N -0.023 114.611 114.554 0.134 0.000 2.894 401 T HA 0.745 5.095 4.350 0.000 0.000 0.309 401 T C -1.724 173.096 174.700 0.200 0.000 1.208 401 T CA -0.341 61.867 62.100 0.180 0.000 1.016 401 T CB 1.779 70.779 68.868 0.221 0.000 1.192 401 T HN 1.043 nan 8.240 nan 0.000 0.491 402 S N 2.461 118.297 115.700 0.225 0.000 2.619 402 S HA 0.856 5.326 4.470 0.000 0.000 0.280 402 S C -1.505 173.249 174.600 0.258 0.000 1.150 402 S CA -0.681 57.605 58.200 0.143 0.000 0.978 402 S CB 0.250 63.496 63.200 0.076 0.000 1.041 402 S HN 0.710 nan 8.310 nan 0.000 0.485 403 F N 0.176 120.167 119.950 0.069 0.000 2.741 403 F HA 0.671 5.198 4.527 0.000 0.000 0.313 403 F C -0.813 175.047 175.800 0.099 0.000 1.153 403 F CA -0.942 57.105 58.000 0.078 0.000 0.931 403 F CB 0.944 39.992 39.000 0.081 0.000 1.335 403 F HN 0.258 nan 8.300 nan 0.000 0.460 404 T N 3.145 117.868 114.554 0.282 0.000 2.733 404 T HA 0.450 4.800 4.350 0.000 0.000 0.294 404 T C -2.634 172.307 174.700 0.402 0.000 0.956 404 T CA -1.068 61.169 62.100 0.228 0.000 0.987 404 T CB 0.674 69.659 68.868 0.194 0.000 0.920 404 T HN 0.334 nan 8.240 nan 0.000 0.470 405 P HA 0.075 nan 4.420 nan 0.000 0.266 405 P C 1.026 178.530 177.300 0.340 0.000 1.195 405 P CA -0.270 63.085 63.100 0.425 0.000 0.768 405 P CB 0.520 32.418 31.700 0.330 0.000 0.838 406 M N 3.104 122.869 119.600 0.276 0.000 2.260 406 M HA -0.254 4.226 4.480 0.000 0.000 0.261 406 M C 1.698 178.096 176.300 0.164 0.000 1.066 406 M CA 1.712 57.122 55.300 0.184 0.000 1.082 406 M CB -0.608 32.068 32.600 0.127 0.000 1.388 406 M HN 0.362 nan 8.290 nan 0.000 0.419 407 Y N 0.221 120.562 120.300 0.069 0.000 2.241 407 Y HA -0.299 4.251 4.550 0.000 0.000 0.286 407 Y C 1.677 177.588 175.900 0.019 0.000 1.166 407 Y CA 2.020 60.129 58.100 0.015 0.000 1.203 407 Y CB -0.329 38.053 38.460 -0.130 0.000 0.977 407 Y HN 0.372 nan 8.280 nan 0.000 0.529 408 H N -0.631 118.518 119.070 0.131 0.000 2.517 408 H HA 0.355 4.911 4.556 0.000 0.000 0.282 408 H C 2.022 177.334 175.328 -0.026 0.000 1.023 408 H CA 0.482 56.550 56.048 0.033 0.000 1.169 408 H CB -0.050 29.808 29.762 0.161 0.000 1.454 408 H HN 0.502 nan 8.280 nan 0.000 0.556 409 A N 1.037 123.889 122.820 0.053 0.000 2.019 409 A HA -0.089 4.231 4.320 0.000 0.000 0.219 409 A C 2.079 179.626 177.584 -0.062 0.000 1.164 409 A CA 1.701 53.750 52.037 0.019 0.000 0.644 409 A CB -0.324 18.686 19.000 0.018 0.000 0.805 409 A HN 0.274 nan 8.150 nan 0.000 0.449 410 V N -2.964 116.842 119.914 -0.179 0.000 3.276 410 V HA 0.282 4.402 4.120 0.000 0.000 0.319 410 V C 0.389 176.312 176.094 -0.284 0.000 1.427 410 V CA 0.474 62.609 62.300 -0.274 0.000 1.102 410 V CB -0.793 30.762 31.823 -0.445 0.000 1.020 410 V HN 0.472 nan 8.190 nan 0.000 0.456 411 T N -2.901 111.563 114.554 -0.149 0.000 2.918 411 T HA 0.519 4.869 4.350 0.000 0.000 0.286 411 T C 0.463 175.173 174.700 0.017 0.000 1.026 411 T CA -0.521 61.553 62.100 -0.044 0.000 1.031 411 T CB 2.416 71.356 68.868 0.119 0.000 1.046 411 T HN 0.174 nan 8.240 nan 0.000 0.479 412 K N -0.202 120.216 120.400 0.029 0.000 2.243 412 K HA 0.101 4.421 4.320 0.000 0.000 0.201 412 K C 1.283 177.897 176.600 0.023 0.000 1.051 412 K CA 0.255 56.553 56.287 0.018 0.000 0.970 412 K CB 0.166 32.675 32.500 0.016 0.000 0.755 412 K HN 0.478 nan 8.250 nan 0.000 0.465 413 R N 1.726 122.265 120.500 0.064 0.000 2.441 413 R HA 0.078 4.418 4.340 0.000 0.000 0.284 413 R C -0.735 175.522 176.300 -0.072 0.000 1.070 413 R CA -0.009 56.115 56.100 0.040 0.000 1.047 413 R CB 0.547 30.925 30.300 0.132 0.000 1.016 413 R HN -0.200 nan 8.270 nan 0.000 0.477 414 K N 2.118 122.388 120.400 -0.216 0.000 2.443 414 K HA 0.399 4.719 4.320 0.000 0.000 0.251 414 K C -0.814 175.522 176.600 -0.439 0.000 0.972 414 K CA -0.747 55.236 56.287 -0.506 0.000 0.833 414 K CB 2.245 34.608 32.500 -0.228 0.000 1.317 414 K HN 0.879 nan 8.250 nan 0.000 0.441 415 T N -2.154 112.082 114.554 -0.530 0.000 2.864 415 T HA 0.548 4.898 4.350 0.000 0.000 0.299 415 T C -0.672 174.006 174.700 -0.036 0.000 1.166 415 T CA -0.880 61.146 62.100 -0.122 0.000 1.007 415 T CB 2.640 71.566 68.868 0.096 0.000 1.219 415 T HN 0.428 nan 8.240 nan 0.000 0.506 416 K N -0.523 119.861 120.400 -0.026 0.000 2.306 416 K HA 0.714 5.034 4.320 0.000 0.000 0.236 416 K C -1.383 175.126 176.600 -0.152 0.000 1.013 416 K CA -0.964 55.276 56.287 -0.078 0.000 0.857 416 K CB 2.081 34.539 32.500 -0.070 0.000 1.214 416 K HN 0.821 nan 8.250 nan 0.000 0.449 417 C N 2.922 121.992 119.300 -0.384 0.000 2.396 417 C HA 0.681 5.141 4.460 0.000 0.000 0.321 417 C C -1.000 173.743 174.990 -0.411 0.000 1.233 417 C CA -0.445 58.277 59.018 -0.494 0.000 1.440 417 C CB -0.089 27.085 27.740 -0.942 0.000 2.110 417 C HN 0.497 nan 8.230 nan 0.000 0.473 418 V N 5.125 124.943 119.914 -0.160 0.000 2.680 418 V HA 0.789 4.909 4.120 0.000 0.000 0.309 418 V C -0.618 175.490 176.094 0.023 0.000 1.052 418 V CA -0.633 61.641 62.300 -0.045 0.000 0.908 418 V CB 1.663 33.479 31.823 -0.011 0.000 1.001 418 V HN 0.954 nan 8.190 nan 0.000 0.431 419 M N 3.822 123.469 119.600 0.078 0.000 2.446 419 M HA 0.654 5.134 4.480 0.000 0.000 0.294 419 M C -0.983 175.367 176.300 0.082 0.000 1.158 419 M CA -0.549 54.801 55.300 0.083 0.000 0.899 419 M CB 2.853 35.519 32.600 0.109 0.000 1.687 419 M HN 0.891 nan 8.290 nan 0.000 0.455 420 K N 2.952 123.398 120.400 0.076 0.000 2.513 420 K HA 0.655 4.975 4.320 0.000 0.000 0.251 420 K C -1.925 174.700 176.600 0.043 0.000 0.939 420 K CA -0.552 55.790 56.287 0.091 0.000 0.793 420 K CB 2.412 34.999 32.500 0.145 0.000 1.241 420 K HN 0.837 nan 8.250 nan 0.000 0.431 421 M N 5.454 125.074 119.600 0.033 0.000 2.167 421 M HA 0.362 4.842 4.480 0.000 0.000 0.333 421 M C -1.561 174.754 176.300 0.025 0.000 1.030 421 M CA -0.887 54.389 55.300 -0.039 0.000 0.963 421 M CB 1.565 34.098 32.600 -0.111 0.000 1.589 421 M HN 0.416 nan 8.290 nan 0.000 0.431 422 V N 5.149 125.054 119.914 -0.014 0.000 2.350 422 V HA 0.373 4.493 4.120 0.000 0.000 0.276 422 V C -0.367 175.700 176.094 -0.045 0.000 1.028 422 V CA -0.552 61.750 62.300 0.003 0.000 0.860 422 V CB 0.790 32.653 31.823 0.066 0.000 0.990 422 V HN 0.960 nan 8.190 nan 0.000 0.453 423 C N 3.994 123.265 119.300 -0.048 0.000 2.454 423 C HA 0.957 5.417 4.460 0.000 0.000 0.336 423 C C 0.566 175.453 174.990 -0.171 0.000 1.189 423 C CA -0.623 58.343 59.018 -0.086 0.000 1.877 423 C CB 1.260 28.999 27.740 -0.002 0.000 2.348 423 C HN 0.988 nan 8.230 nan 0.000 0.508 424 A N 2.702 125.362 122.820 -0.267 0.000 2.386 424 A HA 0.842 5.162 4.320 0.000 0.000 0.311 424 A C -0.364 177.029 177.584 -0.320 0.000 1.068 424 A CA -0.357 51.397 52.037 -0.472 0.000 0.743 424 A CB 0.487 18.796 19.000 -1.151 0.000 1.258 424 A HN 1.161 nan 8.150 nan 0.000 0.429 425 N N -0.107 118.442 118.700 -0.251 0.000 6.841 425 N HA -0.205 4.535 4.740 0.000 0.000 0.420 425 N C 0.788 176.253 175.510 -0.074 0.000 0.944 425 N CA 0.787 53.764 53.050 -0.122 0.000 1.444 425 N CB -0.161 38.269 38.487 -0.095 0.000 0.807 425 N HN 0.831 nan 8.380 nan 0.000 0.332 426 K N 1.425 121.802 120.400 -0.039 0.000 2.155 426 K HA -0.137 4.183 4.320 0.000 0.000 0.203 426 K C 1.137 177.727 176.600 -0.016 0.000 1.052 426 K CA 1.804 58.079 56.287 -0.021 0.000 0.948 426 K CB -0.047 32.447 32.500 -0.010 0.000 0.728 426 K HN 0.596 nan 8.250 nan 0.000 0.448 427 E N 1.128 121.315 120.200 -0.022 0.000 2.268 427 E HA -0.158 4.192 4.350 0.000 0.000 0.195 427 E C -0.324 176.264 176.600 -0.021 0.000 0.995 427 E CA 0.518 56.908 56.400 -0.015 0.000 0.836 427 E CB -0.411 29.280 29.700 -0.015 0.000 0.763 427 E HN 0.383 nan 8.360 nan 0.000 0.491 428 E N 1.030 121.207 120.200 -0.039 0.000 2.287 428 E HA -0.185 4.165 4.350 0.000 0.000 0.229 428 E C -0.418 176.147 176.600 -0.059 0.000 1.194 428 E CA 0.489 56.866 56.400 -0.038 0.000 0.704 428 E CB -1.400 28.308 29.700 0.012 0.000 1.216 428 E HN 0.251 nan 8.360 nan 0.000 0.381 429 K N 0.724 121.073 120.400 -0.084 0.000 2.412 429 K HA 0.185 4.505 4.320 0.000 0.000 0.281 429 K C -0.023 176.521 176.600 -0.094 0.000 1.027 429 K CA -0.276 55.969 56.287 -0.070 0.000 0.989 429 K CB 0.806 33.259 32.500 -0.079 0.000 0.935 429 K HN 0.009 nan 8.250 nan 0.000 0.475 430 V N 6.767 126.633 119.914 -0.080 0.000 2.415 430 V HA -0.021 4.099 4.120 0.000 0.000 0.267 430 V C 0.996 177.051 176.094 -0.065 0.000 1.042 430 V CA -0.020 62.203 62.300 -0.128 0.000 1.000 430 V CB 0.566 32.253 31.823 -0.227 0.000 1.015 430 V HN 0.787 nan 8.190 nan 0.000 0.478 431 V N 2.005 121.880 119.914 -0.065 0.000 3.643 431 V HA 0.688 4.808 4.120 0.000 0.000 0.280 431 V C 0.729 176.821 176.094 -0.004 0.000 1.351 431 V CA 0.645 62.943 62.300 -0.003 0.000 1.073 431 V CB 0.190 32.038 31.823 0.043 0.000 0.863 431 V HN 0.831 nan 8.190 nan 0.000 0.436 432 G N 0.115 108.875 108.800 -0.068 0.000 2.755 432 G HA2 0.684 4.644 3.960 0.000 0.000 0.297 432 G HA3 0.684 4.644 3.960 0.000 0.000 0.297 432 G C -1.651 173.036 174.900 -0.354 0.000 1.441 432 G CA -0.613 44.390 45.100 -0.161 0.000 0.964 432 G HN 0.164 nan 8.290 nan 0.000 0.540 433 I N 2.100 122.315 120.570 -0.590 0.000 2.533 433 I HA 0.464 4.634 4.170 0.000 0.000 0.290 433 I C -1.047 174.620 176.117 -0.750 0.000 1.056 433 I CA -0.928 60.061 61.300 -0.518 0.000 1.057 433 I CB 2.551 40.397 38.000 -0.257 0.000 1.240 433 I HN 0.429 nan 8.210 nan 0.000 0.423 434 H N 7.620 126.678 119.070 -0.018 0.000 2.759 434 H HA 0.711 5.267 4.556 0.000 0.000 0.354 434 H C -0.928 174.407 175.328 0.012 0.000 1.074 434 H CA -0.724 55.330 56.048 0.010 0.000 1.226 434 H CB 2.341 32.117 29.762 0.024 0.000 1.648 434 H HN 0.589 nan 8.280 nan 0.000 0.529 435 M N 0.939 120.612 119.600 0.121 0.000 2.603 435 M HA 0.488 4.968 4.480 0.000 0.000 0.275 435 M C -1.779 174.551 176.300 0.050 0.000 1.226 435 M CA -0.927 54.415 55.300 0.070 0.000 0.870 435 M CB 3.593 36.218 32.600 0.043 0.000 1.716 435 M HN 0.452 nan 8.290 nan 0.000 0.482 436 Q N 0.713 120.526 119.800 0.022 0.000 2.289 436 Q HA 0.800 5.140 4.340 0.000 0.000 0.270 436 Q C -1.315 174.679 176.000 -0.010 0.000 1.038 436 Q CA -0.208 55.597 55.803 0.004 0.000 0.812 436 Q CB 2.819 31.556 28.738 -0.002 0.000 1.300 436 Q HN 1.253 nan 8.270 nan 0.000 0.427 437 G N 1.923 110.730 108.800 0.013 0.000 2.347 437 G HA2 0.161 4.121 3.960 0.000 0.000 0.303 437 G HA3 0.161 4.121 3.960 0.000 0.000 0.303 437 G C -1.549 173.399 174.900 0.080 0.000 1.481 437 G CA -1.099 44.012 45.100 0.019 0.000 0.914 437 G HN 0.620 nan 8.290 nan 0.000 0.638 438 L N 1.160 122.451 121.223 0.113 0.000 2.578 438 L HA 0.310 4.651 4.340 0.000 0.000 0.279 438 L C 1.819 178.772 176.870 0.138 0.000 1.227 438 L CA 1.850 56.776 54.840 0.143 0.000 0.900 438 L CB 0.470 42.605 42.059 0.127 0.000 1.144 438 L HN 2.007 nan 8.230 nan 0.000 0.496 439 G N 1.471 110.363 108.800 0.153 0.000 2.241 439 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 439 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 439 G C 0.895 175.868 174.900 0.122 0.000 0.998 439 G CA 0.203 45.386 45.100 0.138 0.000 0.621 439 G HN 0.711 nan 8.290 nan 0.000 0.519 440 C N 2.167 121.527 119.300 0.100 0.000 2.419 440 C HA 0.024 4.484 4.460 0.000 0.000 0.281 440 C C 2.701 177.698 174.990 0.012 0.000 1.336 440 C CA 1.488 60.544 59.018 0.065 0.000 1.770 440 C CB -0.806 26.955 27.740 0.036 0.000 1.929 440 C HN 0.776 nan 8.230 nan 0.000 0.509 441 D N 0.941 121.329 120.400 -0.020 0.000 2.144 441 D HA -0.143 4.497 4.640 0.000 0.000 0.199 441 D C 1.578 177.885 176.300 0.012 0.000 0.984 441 D CA 1.270 55.210 54.000 -0.100 0.000 0.834 441 D CB -0.589 40.153 40.800 -0.096 0.000 0.955 441 D HN 0.453 nan 8.370 nan 0.000 0.465 442 E N -0.512 119.729 120.200 0.067 0.000 2.452 442 E HA 0.103 4.454 4.350 0.000 0.000 0.197 442 E C 1.901 178.535 176.600 0.057 0.000 1.022 442 E CA -0.137 56.303 56.400 0.067 0.000 0.890 442 E CB 0.202 29.950 29.700 0.079 0.000 0.918 442 E HN 0.378 nan 8.360 nan 0.000 0.496 443 M N 0.339 119.992 119.600 0.088 0.000 2.334 443 M HA -0.042 4.438 4.480 0.000 0.000 0.266 443 M C 1.986 178.398 176.300 0.187 0.000 1.082 443 M CA 0.495 55.879 55.300 0.140 0.000 1.141 443 M CB 0.172 32.903 32.600 0.218 0.000 1.380 443 M HN 0.093 nan 8.290 nan 0.000 0.440 444 L N 0.894 122.207 121.223 0.151 0.000 2.017 444 L HA -0.228 4.112 4.340 0.000 0.000 0.208 444 L C 2.286 179.226 176.870 0.117 0.000 1.073 444 L CA 2.048 56.989 54.840 0.169 0.000 0.745 444 L CB -0.862 41.239 42.059 0.071 0.000 0.894 444 L HN 0.363 nan 8.230 nan 0.000 0.432 445 Q N -0.403 119.419 119.800 0.037 0.000 2.047 445 Q HA -0.218 4.122 4.340 0.000 0.000 0.211 445 Q C 2.078 178.056 176.000 -0.036 0.000 1.005 445 Q CA 2.644 58.446 55.803 -0.002 0.000 0.866 445 Q CB -1.031 27.699 28.738 -0.014 0.000 0.938 445 Q HN 0.576 nan 8.270 nan 0.000 0.414 446 G N -1.468 107.258 108.800 -0.123 0.000 2.408 446 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 446 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 446 G C 0.970 175.749 174.900 -0.202 0.000 1.150 446 G CA 0.684 45.657 45.100 -0.213 0.000 0.776 446 G HN 0.393 nan 8.290 nan 0.000 0.542 447 F N 1.734 121.664 119.950 -0.034 0.000 2.293 447 F HA 0.116 4.643 4.527 0.000 0.000 0.300 447 F C 2.901 178.720 175.800 0.033 0.000 1.086 447 F CA 0.592 58.590 58.000 -0.004 0.000 1.375 447 F CB -0.279 38.779 39.000 0.097 0.000 1.045 447 F HN 0.230 nan 8.300 nan 0.000 0.516 448 A N -0.108 122.809 122.820 0.162 0.000 1.969 448 A HA -0.075 4.245 4.320 0.000 0.000 0.218 448 A C 2.337 179.952 177.584 0.052 0.000 1.169 448 A CA 1.569 53.660 52.037 0.090 0.000 0.635 448 A CB -1.081 17.946 19.000 0.045 0.000 0.810 448 A HN 0.181 nan 8.150 nan 0.000 0.445 449 V N -0.130 119.794 119.914 0.017 0.000 2.307 449 V HA -0.237 3.883 4.120 0.000 0.000 0.245 449 V C 3.053 179.152 176.094 0.009 0.000 1.045 449 V CA 1.909 64.204 62.300 -0.009 0.000 1.024 449 V CB -1.290 30.505 31.823 -0.046 0.000 0.651 449 V HN 0.593 nan 8.190 nan 0.000 0.449 450 A N -0.267 122.564 122.820 0.017 0.000 1.902 450 A HA -0.161 4.159 4.320 0.000 0.000 0.217 450 A C 2.398 180.059 177.584 0.128 0.000 1.181 450 A CA 2.098 54.159 52.037 0.039 0.000 0.623 450 A CB -0.716 18.262 19.000 -0.037 0.000 0.818 450 A HN 0.326 nan 8.150 nan 0.000 0.443 451 V N 0.070 120.085 119.914 0.167 0.000 2.427 451 V HA -0.218 3.902 4.120 0.000 0.000 0.248 451 V C 2.562 178.705 176.094 0.081 0.000 1.051 451 V CA 2.395 64.783 62.300 0.146 0.000 1.048 451 V CB -0.547 31.351 31.823 0.125 0.000 0.666 451 V HN 0.644 nan 8.190 nan 0.000 0.456 452 K N 0.163 120.597 120.400 0.056 0.000 2.097 452 K HA -0.087 4.233 4.320 0.000 0.000 0.206 452 K C 1.905 178.522 176.600 0.028 0.000 1.049 452 K CA 1.720 58.025 56.287 0.030 0.000 0.933 452 K CB -0.309 32.198 32.500 0.011 0.000 0.717 452 K HN 0.389 nan 8.250 nan 0.000 0.442 453 M N -0.946 118.673 119.600 0.032 0.000 2.619 453 M HA 0.105 4.585 4.480 0.000 0.000 0.251 453 M C 0.561 176.884 176.300 0.038 0.000 1.106 453 M CA 0.900 56.215 55.300 0.026 0.000 1.086 453 M CB 0.347 32.957 32.600 0.018 0.000 1.465 453 M HN 0.428 nan 8.290 nan 0.000 0.506 454 G N 1.215 110.047 108.800 0.055 0.000 2.203 454 G HA2 -0.138 3.822 3.960 0.000 0.000 0.231 454 G HA3 -0.138 3.822 3.960 0.000 0.000 0.231 454 G C 0.061 175.005 174.900 0.073 0.000 1.058 454 G CA -0.051 45.083 45.100 0.057 0.000 0.781 454 G HN 0.681 nan 8.290 nan 0.000 0.496 455 A N -0.168 122.722 122.820 0.117 0.000 2.406 455 A HA 0.801 5.121 4.320 0.000 0.000 0.243 455 A C 1.096 178.764 177.584 0.140 0.000 1.082 455 A CA 1.220 53.354 52.037 0.163 0.000 0.786 455 A CB 0.354 19.543 19.000 0.315 0.000 1.029 455 A HN 1.937 nan 8.150 nan 0.000 0.495 456 T N -1.500 113.131 114.554 0.128 0.000 2.919 456 T HA 0.464 4.814 4.350 0.000 0.000 0.282 456 T C 0.873 175.617 174.700 0.073 0.000 1.020 456 T CA -0.165 61.969 62.100 0.057 0.000 0.994 456 T CB 1.174 70.062 68.868 0.033 0.000 1.180 456 T HN 0.578 nan 8.240 nan 0.000 0.566 457 K N 0.422 120.800 120.400 -0.037 0.000 2.147 457 K HA 0.045 4.365 4.320 0.000 0.000 0.205 457 K C 2.318 178.927 176.600 0.015 0.000 1.049 457 K CA 1.671 57.896 56.287 -0.104 0.000 0.936 457 K CB -1.040 31.350 32.500 -0.184 0.000 0.722 457 K HN 0.689 nan 8.250 nan 0.000 0.446 458 A N 1.111 123.948 122.820 0.030 0.000 1.940 458 A HA -0.201 4.119 4.320 0.000 0.000 0.219 458 A C 1.719 179.353 177.584 0.083 0.000 1.176 458 A CA 2.020 54.081 52.037 0.040 0.000 0.631 458 A CB -0.652 18.363 19.000 0.025 0.000 0.814 458 A HN 0.443 nan 8.150 nan 0.000 0.446 459 D N -0.962 119.516 120.400 0.130 0.000 2.117 459 D HA -0.115 4.525 4.640 0.000 0.000 0.197 459 D C 1.620 178.005 176.300 0.143 0.000 0.987 459 D CA 1.108 55.182 54.000 0.124 0.000 0.829 459 D CB -0.346 40.534 40.800 0.132 0.000 0.961 459 D HN 0.449 nan 8.370 nan 0.000 0.460 460 F N 1.781 121.733 119.950 0.004 0.000 2.084 460 F HA -0.121 4.406 4.527 0.000 0.000 0.296 460 F C 2.202 178.000 175.800 -0.003 0.000 1.111 460 F CA 0.964 58.977 58.000 0.022 0.000 1.224 460 F CB -0.497 38.499 39.000 -0.007 0.000 0.991 460 F HN -0.148 nan 8.300 nan 0.000 0.471 461 D N -0.439 120.068 120.400 0.177 0.000 2.218 461 D HA -0.143 4.497 4.640 0.000 0.000 0.204 461 D C 1.453 177.777 176.300 0.041 0.000 0.976 461 D CA 0.923 54.963 54.000 0.066 0.000 0.853 461 D CB -0.462 40.341 40.800 0.004 0.000 0.939 461 D HN 0.240 nan 8.370 nan 0.000 0.481 462 N N -0.015 118.710 118.700 0.042 0.000 2.383 462 N HA -0.004 4.736 4.740 0.000 0.000 0.192 462 N C -0.351 175.162 175.510 0.004 0.000 1.141 462 N CA 0.271 53.331 53.050 0.017 0.000 0.851 462 N CB 0.541 39.036 38.487 0.014 0.000 0.976 462 N HN 0.023 nan 8.380 nan 0.000 0.465 463 T N 0.847 115.404 114.554 0.006 0.000 2.744 463 T HA 0.270 4.620 4.350 0.000 0.000 0.291 463 T C 0.553 175.251 174.700 -0.002 0.000 0.957 463 T CA -0.414 61.676 62.100 -0.016 0.000 1.002 463 T CB 2.162 70.999 68.868 -0.053 0.000 0.919 463 T HN -0.250 nan 8.240 nan 0.000 0.468 464 V N 3.365 123.274 119.914 -0.009 0.000 2.673 464 V HA 0.329 4.449 4.120 0.000 0.000 0.303 464 V C 0.978 177.076 176.094 0.008 0.000 1.046 464 V CA -0.438 61.861 62.300 -0.002 0.000 1.126 464 V CB 0.369 32.188 31.823 -0.006 0.000 0.934 464 V HN 1.088 nan 8.190 nan 0.000 0.487 465 A N 6.077 128.908 122.820 0.017 0.000 2.332 465 A HA 0.651 4.971 4.320 0.000 0.000 0.258 465 A C -0.274 177.339 177.584 0.049 0.000 1.087 465 A CA -0.363 51.697 52.037 0.039 0.000 0.802 465 A CB 0.141 19.161 19.000 0.034 0.000 1.042 465 A HN 0.743 nan 8.150 nan 0.000 0.489 466 I N 1.123 121.735 120.570 0.070 0.000 2.355 466 I HA 0.290 4.460 4.170 0.000 0.000 0.288 466 I C -0.414 175.781 176.117 0.129 0.000 0.999 466 I CA -0.107 61.238 61.300 0.076 0.000 1.163 466 I CB 1.192 39.218 38.000 0.044 0.000 1.316 466 I HN 0.774 nan 8.210 nan 0.000 0.454 467 H N 7.449 126.525 119.070 0.010 0.000 2.538 467 H HA 0.640 5.196 4.556 0.000 0.000 0.353 467 H C -2.554 172.782 175.328 0.014 0.000 1.109 467 H CA -1.804 54.250 56.048 0.009 0.000 1.192 467 H CB 1.735 31.498 29.762 0.001 0.000 1.555 467 H HN 0.309 nan 8.280 nan 0.000 0.518 468 P HA 0.350 nan 4.420 nan 0.000 0.301 468 P C -1.234 175.988 177.300 -0.131 0.000 1.338 468 P CA -0.634 62.127 63.100 -0.564 0.000 0.834 468 P CB 1.661 32.982 31.700 -0.632 0.000 0.967 469 T N -2.266 112.287 114.554 -0.001 0.000 2.787 469 T HA 0.380 4.730 4.350 0.000 0.000 0.297 469 T C 0.709 175.480 174.700 0.118 0.000 1.221 469 T CA -0.481 61.658 62.100 0.066 0.000 1.006 469 T CB 1.061 69.976 68.868 0.078 0.000 1.328 469 T HN -0.022 nan 8.240 nan 0.000 0.509 470 S N 0.482 116.294 115.700 0.187 0.000 2.406 470 S HA -0.021 4.449 4.470 0.000 0.000 0.224 470 S C 2.342 177.094 174.600 0.253 0.000 1.030 470 S CA 1.183 59.565 58.200 0.303 0.000 0.958 470 S CB -0.557 62.875 63.200 0.386 0.000 0.811 470 S HN 0.935 nan 8.310 nan 0.000 0.489 471 S N 2.766 118.602 115.700 0.226 0.000 2.400 471 S HA -0.241 4.229 4.470 0.000 0.000 0.232 471 S C 1.740 176.495 174.600 0.258 0.000 1.025 471 S CA 1.443 59.811 58.200 0.281 0.000 0.993 471 S CB -0.741 62.629 63.200 0.284 0.000 0.808 471 S HN 0.807 nan 8.310 nan 0.000 0.478 472 E N 1.258 121.559 120.200 0.168 0.000 2.265 472 E HA -0.192 4.158 4.350 0.000 0.000 0.196 472 E C 1.557 178.205 176.600 0.079 0.000 0.996 472 E CA 1.140 57.617 56.400 0.127 0.000 0.832 472 E CB -0.342 29.420 29.700 0.102 0.000 0.756 472 E HN 0.483 nan 8.360 nan 0.000 0.491 473 E N 1.043 121.269 120.200 0.043 0.000 2.204 473 E HA -0.099 4.251 4.350 0.000 0.000 0.195 473 E C 2.143 178.758 176.600 0.025 0.000 0.990 473 E CA 0.619 57.007 56.400 -0.020 0.000 0.821 473 E CB -0.141 29.508 29.700 -0.084 0.000 0.750 473 E HN 0.451 nan 8.360 nan 0.000 0.477 474 L N 0.772 122.019 121.223 0.042 0.000 2.291 474 L HA -0.067 4.273 4.340 0.000 0.000 0.214 474 L C 2.104 179.024 176.870 0.084 0.000 1.120 474 L CA 0.643 55.460 54.840 -0.038 0.000 0.799 474 L CB 0.034 41.880 42.059 -0.356 0.000 0.925 474 L HN 0.043 nan 8.230 nan 0.000 0.446 475 V N -4.825 115.175 119.914 0.143 0.000 3.621 475 V HA 0.100 4.220 4.120 0.000 0.000 0.285 475 V C 1.244 177.377 176.094 0.064 0.000 1.346 475 V CA 0.752 63.156 62.300 0.175 0.000 1.104 475 V CB -0.216 31.717 31.823 0.183 0.000 0.913 475 V HN 0.429 nan 8.190 nan 0.000 0.432 476 T N -1.813 112.748 114.554 0.012 0.000 3.339 476 T HA 0.478 4.828 4.350 0.000 0.000 0.292 476 T C 0.061 174.730 174.700 -0.052 0.000 1.012 476 T CA -0.290 61.795 62.100 -0.025 0.000 0.937 476 T CB -0.370 68.481 68.868 -0.030 0.000 1.164 476 T HN 0.309 nan 8.240 nan 0.000 0.509 477 L N 1.800 122.971 121.223 -0.087 0.000 2.416 477 L HA 0.531 4.872 4.340 0.000 0.000 0.272 477 L C 0.796 177.569 176.870 -0.160 0.000 1.161 477 L CA -0.308 54.469 54.840 -0.105 0.000 0.845 477 L CB 0.620 42.581 42.059 -0.165 0.000 1.119 477 L HN 0.205 nan 8.230 nan 0.000 0.464 478 R N 0.000 120.484 120.500 -0.026 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.120 56.100 0.034 0.000 0.921 478 R CB 0.000 30.311 30.300 0.018 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535