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 2vgk_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.422 176.300 0.203 0.000 0.893 1 R CA 0.000 56.175 56.100 0.125 0.000 0.921 1 R CB 0.000 30.343 30.300 0.072 0.000 0.687 2 L N 1.746 123.070 121.223 0.169 0.000 1.955 2 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 2 L C 2.324 179.255 176.870 0.102 0.000 1.072 2 L CA 2.933 57.854 54.840 0.135 0.000 0.755 2 L CB -1.232 40.884 42.059 0.096 0.000 0.888 2 L HN 0.932 nan 8.230 nan 0.000 0.432 3 T N -3.241 111.360 114.554 0.079 0.000 2.778 3 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 3 T C 1.677 176.418 174.700 0.070 0.000 1.050 3 T CA 1.370 63.508 62.100 0.064 0.000 1.137 3 T CB -0.295 68.601 68.868 0.046 0.000 0.860 3 T HN 0.361 nan 8.240 nan 0.000 0.468 4 E N 0.430 120.677 120.200 0.078 0.000 2.046 4 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 4 E C 2.098 178.745 176.600 0.078 0.000 0.982 4 E CA 0.832 57.275 56.400 0.073 0.000 0.800 4 E CB -0.226 29.518 29.700 0.074 0.000 0.756 4 E HN 0.353 nan 8.360 nan 0.000 0.449 5 L N 1.386 122.670 121.223 0.102 0.000 2.083 5 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 5 L C 2.159 179.054 176.870 0.042 0.000 1.083 5 L CA 1.635 56.510 54.840 0.058 0.000 0.752 5 L CB -0.092 41.966 42.059 -0.001 0.000 0.899 5 L HN -0.065 nan 8.230 nan 0.000 0.433 6 R N -0.256 120.314 120.500 0.117 0.000 2.075 6 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 6 R C 2.155 178.556 176.300 0.168 0.000 1.126 6 R CA 1.523 57.763 56.100 0.233 0.000 0.963 6 R CB -0.463 29.955 30.300 0.196 0.000 0.858 6 R HN 0.687 nan 8.270 nan 0.000 0.435 7 E N 0.964 121.221 120.200 0.093 0.000 2.110 7 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 7 E C 0.823 177.446 176.600 0.038 0.000 0.988 7 E CA 1.561 57.999 56.400 0.063 0.000 0.804 7 E CB -0.111 29.616 29.700 0.045 0.000 0.745 7 E HN 0.239 nan 8.360 nan 0.000 0.458 8 D N 1.261 121.672 120.400 0.018 0.000 2.103 8 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 8 D C 2.218 178.482 176.300 -0.059 0.000 0.978 8 D CA 1.088 55.078 54.000 -0.017 0.000 0.829 8 D CB -0.215 40.573 40.800 -0.020 0.000 0.981 8 D HN 0.336 nan 8.370 nan 0.000 0.464 9 I N 1.155 121.653 120.570 -0.121 0.000 2.394 9 I HA -0.208 3.961 4.170 -0.000 0.000 0.251 9 I C 1.742 177.797 176.117 -0.103 0.000 1.136 9 I CA 0.894 62.050 61.300 -0.240 0.000 1.425 9 I CB -0.190 37.399 38.000 -0.686 0.000 1.079 9 I HN -0.161 nan 8.210 nan 0.000 0.425 10 D N 1.411 121.830 120.400 0.031 0.000 2.117 10 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 10 D C 2.280 178.599 176.300 0.032 0.000 0.987 10 D CA 1.679 55.731 54.000 0.086 0.000 0.829 10 D CB -0.120 40.745 40.800 0.110 0.000 0.961 10 D HN 0.350 nan 8.370 nan 0.000 0.460 11 A N 0.186 123.012 122.820 0.011 0.000 2.014 11 A HA -0.050 4.269 4.320 -0.000 0.000 0.218 11 A C 2.300 179.875 177.584 -0.015 0.000 1.163 11 A CA 0.560 52.597 52.037 0.000 0.000 0.652 11 A CB -0.511 18.489 19.000 -0.001 0.000 0.808 11 A HN 0.201 nan 8.150 nan 0.000 0.449 12 I N -0.525 120.024 120.570 -0.035 0.000 2.439 12 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 12 I C 1.985 178.078 176.117 -0.040 0.000 1.139 12 I CA 0.859 62.130 61.300 -0.048 0.000 1.438 12 I CB -0.171 37.781 38.000 -0.080 0.000 1.085 12 I HN 0.245 nan 8.210 nan 0.000 0.427 13 L N 0.204 121.410 121.223 -0.028 0.000 2.395 13 L HA -0.044 4.296 4.340 -0.000 0.000 0.218 13 L C 1.329 178.198 176.870 -0.001 0.000 1.130 13 L CA 0.493 55.326 54.840 -0.012 0.000 0.826 13 L CB -0.288 41.780 42.059 0.014 0.000 0.941 13 L HN 0.154 nan 8.230 nan 0.000 0.451 14 E N 0.854 121.055 120.200 0.001 0.000 2.379 14 E HA -0.006 4.344 4.350 -0.000 0.000 0.209 14 E C -0.194 176.404 176.600 -0.003 0.000 1.284 14 E CA 0.143 56.546 56.400 0.004 0.000 1.333 14 E CB -0.502 29.203 29.700 0.008 0.000 1.307 14 E HN 0.323 nan 8.360 nan 0.000 0.441 15 D N 0.606 121.000 120.400 -0.009 0.000 2.304 15 D HA 0.071 4.711 4.640 -0.000 0.000 0.247 15 D C -1.650 174.646 176.300 -0.007 0.000 1.089 15 D CA -2.054 51.938 54.000 -0.014 0.000 0.910 15 D CB 1.891 42.675 40.800 -0.026 0.000 1.199 15 D HN -0.123 nan 8.370 nan 0.000 0.426 16 P HA -0.070 nan 4.420 nan 0.000 0.219 16 P C 0.703 178.006 177.300 0.005 0.000 1.146 16 P CA 0.797 63.898 63.100 0.002 0.000 0.808 16 P CB 0.155 31.855 31.700 0.001 0.000 0.779 17 A N -1.407 121.409 122.820 -0.007 0.000 2.168 17 A HA -0.038 4.281 4.320 -0.000 0.000 0.215 17 A C 1.547 179.127 177.584 -0.008 0.000 1.152 17 A CA 1.063 53.094 52.037 -0.010 0.000 0.716 17 A CB -0.844 18.133 19.000 -0.039 0.000 0.794 17 A HN 0.105 nan 8.150 nan 0.000 0.465 18 L N -0.078 121.143 121.223 -0.003 0.000 3.014 18 L HA 0.269 4.609 4.340 -0.000 0.000 0.263 18 L C -0.202 176.690 176.870 0.036 0.000 1.207 18 L CA -0.138 54.709 54.840 0.011 0.000 1.017 18 L CB 0.098 42.148 42.059 -0.015 0.000 1.360 18 L HN 0.137 nan 8.230 nan 0.000 0.560 19 E N 0.776 120.997 120.200 0.036 0.000 2.328 19 E HA 0.351 4.701 4.350 -0.000 0.000 0.265 19 E C 1.225 177.850 176.600 0.042 0.000 1.057 19 E CA 0.748 57.167 56.400 0.033 0.000 0.916 19 E CB 0.300 30.015 29.700 0.025 0.000 0.993 19 E HN 0.378 nan 8.360 nan 0.000 0.446 20 G N 2.332 111.154 108.800 0.037 0.000 2.136 20 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.242 20 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.242 20 G C 0.388 175.315 174.900 0.046 0.000 0.989 20 G CA 0.233 45.355 45.100 0.036 0.000 0.682 20 G HN 0.752 nan 8.290 nan 0.000 0.522 21 A N -0.976 121.881 122.820 0.061 0.000 2.269 21 A HA 0.912 5.232 4.320 -0.000 0.000 0.327 21 A C 0.125 177.748 177.584 0.065 0.000 1.112 21 A CA -0.023 52.064 52.037 0.084 0.000 0.865 21 A CB 1.684 20.768 19.000 0.139 0.000 1.227 21 A HN 1.335 nan 8.150 nan 0.000 0.498 22 V N 0.806 120.762 119.914 0.071 0.000 2.384 22 V HA 0.558 4.678 4.120 -0.000 0.000 0.287 22 V C -0.059 176.073 176.094 0.063 0.000 1.020 22 V CA -0.438 61.896 62.300 0.057 0.000 0.850 22 V CB 0.906 32.756 31.823 0.046 0.000 0.987 22 V HN 0.702 nan 8.190 nan 0.000 0.436 23 S N 2.978 118.711 115.700 0.055 0.000 2.498 23 S HA 0.679 5.149 4.470 -0.000 0.000 0.317 23 S C 0.425 175.063 174.600 0.063 0.000 1.090 23 S CA -0.501 57.733 58.200 0.055 0.000 1.089 23 S CB 1.708 64.935 63.200 0.045 0.000 0.997 23 S HN 1.111 nan 8.310 nan 0.000 0.470 24 G N 1.804 110.643 108.800 0.064 0.000 2.327 24 G HA2 0.532 4.492 3.960 -0.000 0.000 0.302 24 G HA3 0.532 4.492 3.960 -0.000 0.000 0.302 24 G C -0.823 174.134 174.900 0.094 0.000 1.113 24 G CA -0.353 44.790 45.100 0.072 0.000 0.921 24 G HN 0.586 nan 8.290 nan 0.000 0.425 25 V N 3.318 123.312 119.914 0.133 0.000 2.482 25 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 25 V C -0.477 175.763 176.094 0.242 0.000 1.026 25 V CA -0.656 61.754 62.300 0.184 0.000 0.856 25 V CB 1.715 33.663 31.823 0.209 0.000 1.001 25 V HN 0.527 nan 8.190 nan 0.000 0.424 26 V N 5.459 125.491 119.914 0.196 0.000 2.686 26 V HA 0.617 4.737 4.120 -0.000 0.000 0.306 26 V C -0.593 175.607 176.094 0.178 0.000 1.065 26 V CA -0.568 61.840 62.300 0.180 0.000 0.894 26 V CB 2.401 34.287 31.823 0.105 0.000 1.004 26 V HN 0.594 nan 8.190 nan 0.000 0.424 27 V N 5.027 125.049 119.914 0.180 0.000 2.604 27 V HA 0.751 4.871 4.120 -0.000 0.000 0.305 27 V C -0.619 175.535 176.094 0.100 0.000 1.043 27 V CA -0.600 61.783 62.300 0.139 0.000 0.888 27 V CB 2.139 34.013 31.823 0.084 0.000 0.995 27 V HN 0.609 nan 8.190 nan 0.000 0.429 28 V N 2.161 122.132 119.914 0.096 0.000 2.888 28 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 28 V C -0.856 175.294 176.094 0.093 0.000 1.114 28 V CA -0.711 61.637 62.300 0.080 0.000 0.940 28 V CB 2.297 34.163 31.823 0.072 0.000 1.021 28 V HN 0.891 nan 8.190 nan 0.000 0.426 29 D N 2.110 122.560 120.400 0.083 0.000 2.348 29 D HA 0.205 4.845 4.640 -0.000 0.000 0.253 29 D C 1.039 177.391 176.300 0.087 0.000 1.161 29 D CA 0.128 54.187 54.000 0.098 0.000 0.876 29 D CB 2.005 42.865 40.800 0.099 0.000 1.160 29 D HN 0.675 nan 8.370 nan 0.000 0.459 30 T N 2.367 116.978 114.554 0.095 0.000 3.014 30 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 30 T C 1.774 176.505 174.700 0.051 0.000 1.078 30 T CA 0.748 62.894 62.100 0.077 0.000 1.135 30 T CB 0.193 69.116 68.868 0.091 0.000 0.895 30 T HN 0.471 nan 8.240 nan 0.000 0.480 31 A N 2.374 125.225 122.820 0.053 0.000 1.873 31 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 31 A C 2.580 180.184 177.584 0.033 0.000 1.186 31 A CA 2.094 54.153 52.037 0.037 0.000 0.616 31 A CB -1.188 17.836 19.000 0.040 0.000 0.823 31 A HN 0.599 nan 8.150 nan 0.000 0.442 32 T N -4.113 110.467 114.554 0.042 0.000 2.739 32 T HA 0.423 4.773 4.350 -0.000 0.000 0.246 32 T C 1.521 176.241 174.700 0.033 0.000 1.058 32 T CA 1.566 63.688 62.100 0.037 0.000 1.184 32 T CB -0.499 68.396 68.868 0.045 0.000 0.887 32 T HN 1.490 nan 8.240 nan 0.000 0.408 33 G N 0.541 109.365 108.800 0.041 0.000 2.870 33 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 33 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 33 G C -0.179 174.744 174.900 0.039 0.000 0.973 33 G CA -0.027 45.095 45.100 0.036 0.000 0.807 33 G HN 0.756 nan 8.290 nan 0.000 0.573 34 E N 1.247 121.474 120.200 0.045 0.000 2.366 34 E HA 0.225 4.575 4.350 -0.000 0.000 0.266 34 E C -0.248 176.378 176.600 0.044 0.000 1.015 34 E CA -0.205 56.222 56.400 0.044 0.000 0.906 34 E CB 0.362 30.094 29.700 0.054 0.000 0.979 34 E HN 0.329 nan 8.360 nan 0.000 0.443 35 E N 5.475 125.696 120.200 0.035 0.000 1.932 35 E HA 0.027 4.377 4.350 -0.000 0.000 0.275 35 E C 0.828 177.446 176.600 0.031 0.000 1.159 35 E CA -0.201 56.219 56.400 0.033 0.000 0.905 35 E CB 0.409 30.122 29.700 0.020 0.000 1.059 35 E HN 0.681 nan 8.360 nan 0.000 0.400 36 L N 4.133 125.379 121.223 0.037 0.000 2.093 36 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 36 L C 0.541 177.463 176.870 0.087 0.000 1.085 36 L CA 0.916 55.768 54.840 0.020 0.000 0.755 36 L CB -0.080 41.933 42.059 -0.077 0.000 0.904 36 L HN 0.523 nan 8.230 nan 0.000 0.435 37 Y N -1.262 119.011 120.300 -0.045 0.000 2.519 37 Y HA 0.404 4.954 4.550 -0.000 0.000 0.336 37 Y C -0.844 175.050 175.900 -0.009 0.000 1.089 37 Y CA -0.947 57.134 58.100 -0.033 0.000 1.025 37 Y CB 2.035 40.465 38.460 -0.050 0.000 1.318 37 Y HN -0.269 nan 8.280 nan 0.000 0.452 38 S N 5.757 121.226 115.700 -0.386 0.000 2.387 38 S HA 0.359 4.829 4.470 -0.000 0.000 0.211 38 S C -1.751 172.685 174.600 -0.274 0.000 1.055 38 S CA -0.696 57.393 58.200 -0.184 0.000 1.133 38 S CB 0.198 63.346 63.200 -0.086 0.000 1.235 38 S HN 0.814 nan 8.310 nan 0.000 0.425 39 R N 2.848 123.253 120.500 -0.158 0.000 2.294 39 R HA 0.364 4.704 4.340 -0.000 0.000 0.319 39 R C -0.667 175.646 176.300 0.021 0.000 0.984 39 R CA -0.124 55.938 56.100 -0.063 0.000 0.861 39 R CB 0.344 30.671 30.300 0.045 0.000 1.104 39 R HN 0.619 nan 8.270 nan 0.000 0.451 40 D N 3.319 123.720 120.400 0.002 0.000 2.686 40 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 40 D C 0.678 176.994 176.300 0.026 0.000 1.160 40 D CA 1.232 55.242 54.000 0.017 0.000 0.645 40 D CB -0.811 40.007 40.800 0.030 0.000 1.039 40 D HN 0.952 nan 8.370 nan 0.000 0.423 41 G N -0.058 108.752 108.800 0.017 0.000 2.572 41 G HA2 0.111 4.071 3.960 -0.000 0.000 0.216 41 G HA3 0.111 4.071 3.960 -0.000 0.000 0.216 41 G C 1.375 176.292 174.900 0.029 0.000 1.133 41 G CA 0.673 45.791 45.100 0.029 0.000 0.791 41 G HN 0.463 nan 8.290 nan 0.000 0.538 42 G N -0.452 108.360 108.800 0.020 0.000 3.453 42 G HA2 0.336 4.296 3.960 -0.000 0.000 0.263 42 G HA3 0.336 4.296 3.960 -0.000 0.000 0.263 42 G C -0.026 174.884 174.900 0.017 0.000 1.060 42 G CA -0.278 44.834 45.100 0.019 0.000 0.793 42 G HN 0.266 nan 8.290 nan 0.000 0.532 43 E N 1.045 121.257 120.200 0.020 0.000 2.316 43 E HA 0.276 4.625 4.350 -0.000 0.000 0.275 43 E C 0.233 176.843 176.600 0.018 0.000 1.029 43 E CA -0.045 56.366 56.400 0.018 0.000 0.871 43 E CB 0.500 30.213 29.700 0.023 0.000 1.022 43 E HN 0.252 nan 8.360 nan 0.000 0.418 44 Q N 3.232 123.038 119.800 0.010 0.000 2.288 44 Q HA 0.425 4.765 4.340 -0.000 0.000 0.258 44 Q C -0.633 175.370 176.000 0.005 0.000 0.957 44 Q CA -0.074 55.731 55.803 0.003 0.000 0.919 44 Q CB 0.755 29.490 28.738 -0.005 0.000 1.185 44 Q HN 0.436 nan 8.270 nan 0.000 0.408 45 L N 2.298 123.523 121.223 0.004 0.000 2.424 45 L HA 0.420 4.760 4.340 -0.000 0.000 0.258 45 L C -1.132 175.738 176.870 -0.001 0.000 0.995 45 L CA -1.213 53.633 54.840 0.010 0.000 0.821 45 L CB 1.492 43.566 42.059 0.026 0.000 1.383 45 L HN 0.399 nan 8.230 nan 0.000 0.410 46 L N 3.555 124.777 121.223 -0.001 0.000 2.410 46 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 46 L C -1.409 175.458 176.870 -0.004 0.000 1.152 46 L CA -0.691 54.142 54.840 -0.013 0.000 0.855 46 L CB 0.095 42.143 42.059 -0.019 0.000 1.129 46 L HN 0.401 nan 8.230 nan 0.000 0.463 47 P HA 0.010 nan 4.420 nan 0.000 0.230 47 P C 0.722 178.023 177.300 0.002 0.000 1.168 47 P CA 1.022 64.129 63.100 0.012 0.000 0.793 47 P CB 0.385 32.097 31.700 0.021 0.000 0.851 48 A N 0.544 123.350 122.820 -0.023 0.000 5.684 48 A HA -0.266 4.054 4.320 -0.000 0.000 0.306 48 A C 1.723 179.293 177.584 -0.023 0.000 1.885 48 A CA 1.837 53.847 52.037 -0.045 0.000 0.721 48 A CB -2.391 16.574 19.000 -0.059 0.000 1.295 48 A HN 0.214 nan 8.150 nan 0.000 0.386 49 S N 0.895 116.571 115.700 -0.040 0.000 2.595 49 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 49 S C 1.256 175.849 174.600 -0.011 0.000 0.974 49 S CA 1.104 59.287 58.200 -0.027 0.000 0.942 49 S CB -0.652 62.511 63.200 -0.063 0.000 0.766 49 S HN 0.610 nan 8.310 nan 0.000 0.536 50 N N 1.471 120.177 118.700 0.010 0.000 2.453 50 N HA 0.052 4.792 4.740 -0.000 0.000 0.183 50 N C 1.390 177.007 175.510 0.179 0.000 1.041 50 N CA 0.380 53.459 53.050 0.048 0.000 0.900 50 N CB -0.340 38.177 38.487 0.049 0.000 0.961 50 N HN 0.264 nan 8.380 nan 0.000 0.443 51 M N 0.961 120.663 119.600 0.171 0.000 2.267 51 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 51 M C 1.327 177.819 176.300 0.320 0.000 1.063 51 M CA 1.469 56.921 55.300 0.253 0.000 1.090 51 M CB -0.036 32.635 32.600 0.118 0.000 1.392 51 M HN -0.064 nan 8.290 nan 0.000 0.422 52 K N -0.489 120.024 120.400 0.189 0.000 2.280 52 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 52 K C 1.693 178.388 176.600 0.158 0.000 1.047 52 K CA 1.081 57.462 56.287 0.158 0.000 0.942 52 K CB -0.389 32.083 32.500 -0.047 0.000 0.739 52 K HN 0.403 nan 8.250 nan 0.000 0.457 53 L N -0.553 120.756 121.223 0.144 0.000 2.056 53 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 53 L C 1.972 178.981 176.870 0.231 0.000 1.078 53 L CA 1.268 56.203 54.840 0.158 0.000 0.749 53 L CB -0.425 41.632 42.059 -0.003 0.000 0.901 53 L HN 0.057 nan 8.230 nan 0.000 0.433 54 F N -0.338 119.736 119.950 0.206 0.000 2.206 54 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 54 F C 2.619 178.514 175.800 0.158 0.000 1.090 54 F CA 1.373 59.468 58.000 0.158 0.000 1.323 54 F CB -1.132 37.931 39.000 0.105 0.000 1.028 54 F HN -0.049 nan 8.300 nan 0.000 0.492 55 T N 0.029 114.805 114.554 0.369 0.000 2.668 55 T HA -0.167 4.183 4.350 -0.000 0.000 0.262 55 T C 2.375 177.234 174.700 0.266 0.000 1.045 55 T CA 1.401 63.677 62.100 0.293 0.000 1.152 55 T CB -0.800 68.267 68.868 0.331 0.000 0.864 55 T HN 0.264 nan 8.240 nan 0.000 0.419 56 A N 1.580 124.614 122.820 0.356 0.000 1.927 56 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 56 A C 2.604 180.279 177.584 0.151 0.000 1.185 56 A CA 2.200 54.446 52.037 0.350 0.000 0.639 56 A CB -1.157 18.093 19.000 0.417 0.000 0.820 56 A HN 0.539 nan 8.150 nan 0.000 0.451 57 A N -0.552 122.356 122.820 0.145 0.000 1.930 57 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 57 A C 2.491 179.980 177.584 -0.159 0.000 1.175 57 A CA 1.900 53.830 52.037 -0.178 0.000 0.627 57 A CB -0.923 17.987 19.000 -0.150 0.000 0.815 57 A HN 1.074 nan 8.150 nan 0.000 0.443 58 A N -0.120 122.699 122.820 -0.002 0.000 1.930 58 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 58 A C 2.459 180.016 177.584 -0.045 0.000 1.175 58 A CA 1.872 53.915 52.037 0.011 0.000 0.627 58 A CB -0.900 18.143 19.000 0.071 0.000 0.815 58 A HN 0.998 nan 8.150 nan 0.000 0.443 59 A N -0.455 122.338 122.820 -0.045 0.000 1.969 59 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 59 A C 2.108 179.603 177.584 -0.149 0.000 1.169 59 A CA 1.388 53.388 52.037 -0.061 0.000 0.635 59 A CB -0.478 18.522 19.000 -0.001 0.000 0.810 59 A HN 0.460 nan 8.150 nan 0.000 0.445 60 L N -1.331 119.709 121.223 -0.305 0.000 2.179 60 L HA -0.076 4.263 4.340 -0.000 0.000 0.208 60 L C 2.519 179.166 176.870 -0.373 0.000 1.096 60 L CA 1.352 55.891 54.840 -0.501 0.000 0.779 60 L CB -0.275 41.102 42.059 -1.137 0.000 0.922 60 L HN 0.396 nan 8.230 nan 0.000 0.443 61 E N -0.056 119.998 120.200 -0.243 0.000 2.072 61 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 61 E C 2.088 178.690 176.600 0.003 0.000 0.985 61 E CA 1.150 57.563 56.400 0.022 0.000 0.801 61 E CB 0.078 29.834 29.700 0.093 0.000 0.750 61 E HN 0.161 nan 8.360 nan 0.000 0.452 62 V N 0.094 119.982 119.914 -0.043 0.000 2.302 62 V HA -0.138 3.982 4.120 -0.000 0.000 0.243 62 V C 2.186 178.231 176.094 -0.082 0.000 1.036 62 V CA 1.496 63.769 62.300 -0.046 0.000 1.020 62 V CB -0.296 31.498 31.823 -0.048 0.000 0.657 62 V HN 0.274 nan 8.190 nan 0.000 0.453 63 L N -0.540 120.600 121.223 -0.138 0.000 2.298 63 L HA 0.496 4.836 4.340 -0.000 0.000 0.209 63 L C 1.095 177.897 176.870 -0.113 0.000 1.084 63 L CA 0.762 55.457 54.840 -0.242 0.000 0.816 63 L CB -0.396 41.388 42.059 -0.458 0.000 0.967 63 L HN 0.530 nan 8.230 nan 0.000 0.460 64 G N -0.486 108.268 108.800 -0.076 0.000 2.692 64 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.686 64 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.686 64 G C 0.430 175.325 174.900 -0.008 0.000 1.243 64 G CA -0.366 44.724 45.100 -0.016 0.000 0.782 64 G HN 0.168 nan 8.290 nan 0.000 0.625 65 A N 0.193 123.024 122.820 0.018 0.000 2.178 65 A HA 0.166 4.485 4.320 -0.000 0.000 0.218 65 A C 1.821 179.434 177.584 0.049 0.000 1.157 65 A CA 2.259 54.322 52.037 0.042 0.000 0.689 65 A CB -0.195 18.868 19.000 0.106 0.000 0.787 65 A HN 1.408 nan 8.150 nan 0.000 0.465 66 D N -2.059 118.365 120.400 0.040 0.000 2.402 66 D HA 0.063 4.703 4.640 -0.000 0.000 0.216 66 D C 0.261 176.544 176.300 -0.030 0.000 1.128 66 D CA -0.474 53.533 54.000 0.012 0.000 0.833 66 D CB -0.975 39.833 40.800 0.013 0.000 0.971 66 D HN 0.482 nan 8.370 nan 0.000 0.503 67 H N 1.308 120.295 119.070 -0.138 0.000 2.848 67 H HA 0.346 4.902 4.556 -0.000 0.000 0.341 67 H C 0.051 175.141 175.328 -0.396 0.000 1.060 67 H CA 0.278 56.165 56.048 -0.268 0.000 1.444 67 H CB 0.743 30.324 29.762 -0.301 0.000 1.446 67 H HN 0.088 nan 8.280 nan 0.000 0.583 68 S N 3.604 118.745 115.700 -0.932 0.000 2.632 68 S HA 0.615 5.085 4.470 -0.000 0.000 0.289 68 S C -1.229 172.767 174.600 -1.006 0.000 1.115 68 S CA -0.960 56.794 58.200 -0.744 0.000 0.889 68 S CB 1.419 64.395 63.200 -0.373 0.000 1.116 68 S HN 0.403 nan 8.310 nan 0.000 0.486 69 F N -0.006 119.767 119.950 -0.296 0.000 2.522 69 F HA 0.740 5.267 4.527 -0.000 0.000 0.324 69 F C 0.876 176.513 175.800 -0.271 0.000 1.077 69 F CA -0.478 57.371 58.000 -0.251 0.000 0.944 69 F CB 2.307 41.213 39.000 -0.157 0.000 1.175 69 F HN 0.958 nan 8.300 nan 0.000 0.468 70 G N 0.524 109.263 108.800 -0.102 0.000 2.416 70 G HA2 0.619 4.579 3.960 -0.000 0.000 0.329 70 G HA3 0.619 4.579 3.960 -0.000 0.000 0.329 70 G C -1.348 173.448 174.900 -0.173 0.000 1.173 70 G CA -0.572 44.420 45.100 -0.180 0.000 0.929 70 G HN 0.527 nan 8.290 nan 0.000 0.475 71 T N 1.161 115.642 114.554 -0.121 0.000 2.886 71 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 71 T C -0.547 174.100 174.700 -0.088 0.000 1.012 71 T CA -0.662 61.373 62.100 -0.107 0.000 0.982 71 T CB 1.925 70.764 68.868 -0.048 0.000 1.018 71 T HN 0.792 nan 8.240 nan 0.000 0.451 72 E N 0.606 120.739 120.200 -0.111 0.000 2.446 72 E HA 0.756 5.106 4.350 -0.000 0.000 0.276 72 E C -1.646 174.906 176.600 -0.080 0.000 0.969 72 E CA -1.170 55.184 56.400 -0.078 0.000 0.800 72 E CB 1.666 31.327 29.700 -0.064 0.000 1.341 72 E HN 0.270 nan 8.360 nan 0.000 0.460 73 V N 0.236 120.133 119.914 -0.029 0.000 2.487 73 V HA 0.761 4.881 4.120 -0.000 0.000 0.298 73 V C -0.605 175.545 176.094 0.094 0.000 1.028 73 V CA -0.490 61.822 62.300 0.020 0.000 0.860 73 V CB 1.041 32.903 31.823 0.065 0.000 0.991 73 V HN 0.853 nan 8.190 nan 0.000 0.427 74 A N 3.660 126.581 122.820 0.167 0.000 2.414 74 A HA 1.021 5.341 4.320 -0.000 0.000 0.306 74 A C -0.364 177.427 177.584 0.345 0.000 1.054 74 A CA -0.172 51.993 52.037 0.213 0.000 0.724 74 A CB 1.901 21.016 19.000 0.191 0.000 1.267 74 A HN 1.425 nan 8.150 nan 0.000 0.418 75 A N 0.463 123.433 122.820 0.250 0.000 2.435 75 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 75 A C 0.683 178.181 177.584 -0.144 0.000 1.147 75 A CA 0.116 52.266 52.037 0.188 0.000 0.775 75 A CB 0.997 20.052 19.000 0.092 0.000 1.340 75 A HN 0.956 nan 8.150 nan 0.000 0.427 76 E N 0.101 119.880 120.200 -0.702 0.000 2.072 76 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 76 E C 0.276 176.592 176.600 -0.473 0.000 0.985 76 E CA 1.502 57.244 56.400 -1.098 0.000 0.801 76 E CB 0.097 28.895 29.700 -1.504 0.000 0.750 76 E HN 0.621 nan 8.360 nan 0.000 0.452 77 S N -1.066 114.458 115.700 -0.293 0.000 2.740 77 S HA 0.666 5.135 4.470 -0.000 0.000 0.300 77 S C -0.711 173.834 174.600 -0.092 0.000 1.147 77 S CA -0.561 57.541 58.200 -0.164 0.000 0.871 77 S CB 1.653 64.769 63.200 -0.141 0.000 1.173 77 S HN 0.372 nan 8.310 nan 0.000 0.510 78 A N 2.174 124.957 122.820 -0.060 0.000 2.386 78 A HA 0.550 4.870 4.320 -0.000 0.000 0.246 78 A C -2.321 175.245 177.584 -0.030 0.000 1.089 78 A CA -1.012 51.005 52.037 -0.033 0.000 0.790 78 A CB -0.986 17.999 19.000 -0.025 0.000 1.042 78 A HN 0.548 nan 8.150 nan 0.000 0.497 79 P HA 0.107 nan 4.420 nan 0.000 0.265 79 P C 0.613 177.904 177.300 -0.015 0.000 1.187 79 P CA 0.573 63.667 63.100 -0.011 0.000 0.766 79 P CB 0.274 31.971 31.700 -0.003 0.000 0.820 80 G N 2.632 111.424 108.800 -0.015 0.000 2.481 80 G HA2 0.018 3.977 3.960 -0.000 0.000 0.251 80 G HA3 0.018 3.977 3.960 -0.000 0.000 0.251 80 G C 1.085 175.978 174.900 -0.011 0.000 1.492 80 G CA -0.397 44.694 45.100 -0.015 0.000 1.060 80 G HN 0.413 nan 8.290 nan 0.000 0.553 81 R N -0.898 119.596 120.500 -0.010 0.000 2.119 81 R HA 0.064 4.404 4.340 -0.000 0.000 0.222 81 R C 2.129 178.425 176.300 -0.007 0.000 1.088 81 R CA 0.624 56.719 56.100 -0.008 0.000 0.984 81 R CB 0.017 30.312 30.300 -0.008 0.000 0.884 81 R HN 0.264 nan 8.270 nan 0.000 0.447 82 R N 0.135 120.631 120.500 -0.006 0.000 2.480 82 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 82 R C 0.225 176.522 176.300 -0.006 0.000 1.008 82 R CA 0.363 56.459 56.100 -0.005 0.000 1.090 82 R CB 0.926 31.223 30.300 -0.005 0.000 1.234 82 R HN 0.321 nan 8.270 nan 0.000 0.549 83 G N 2.525 111.322 108.800 -0.006 0.000 2.246 83 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.273 83 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.273 83 G C -0.257 174.641 174.900 -0.003 0.000 1.055 83 G CA 0.429 45.526 45.100 -0.005 0.000 0.851 83 G HN 0.462 nan 8.290 nan 0.000 0.500 84 E N -0.156 120.043 120.200 -0.003 0.000 2.171 84 E HA 0.649 4.999 4.350 -0.000 0.000 0.271 84 E C 0.185 176.787 176.600 0.003 0.000 0.916 84 E CA -0.406 55.995 56.400 0.001 0.000 0.774 84 E CB 2.192 31.893 29.700 0.001 0.000 1.128 84 E HN 0.909 nan 8.360 nan 0.000 0.403 85 V N 0.754 120.676 119.914 0.013 0.000 3.096 85 V HA 0.389 4.509 4.120 -0.000 0.000 0.319 85 V C 0.719 176.836 176.094 0.038 0.000 1.103 85 V CA -0.711 61.601 62.300 0.021 0.000 1.016 85 V CB 1.486 33.333 31.823 0.040 0.000 1.090 85 V HN 0.755 nan 8.190 nan 0.000 0.449 86 Q N 0.673 120.506 119.800 0.055 0.000 1.865 86 Q HA 0.247 4.587 4.340 -0.000 0.000 0.268 86 Q C 0.134 176.213 176.000 0.131 0.000 0.961 86 Q CA 1.205 57.059 55.803 0.086 0.000 0.870 86 Q CB -0.121 28.674 28.738 0.096 0.000 0.929 86 Q HN 0.936 nan 8.270 nan 0.000 0.450 87 D N 0.002 120.538 120.400 0.227 0.000 2.294 87 D HA 0.371 5.011 4.640 -0.000 0.000 0.250 87 D C -0.833 175.642 176.300 0.293 0.000 1.058 87 D CA -0.158 54.005 54.000 0.271 0.000 0.950 87 D CB 1.052 42.108 40.800 0.427 0.000 1.158 87 D HN 0.225 nan 8.370 nan 0.000 0.453 88 L N 1.582 122.900 121.223 0.159 0.000 2.422 88 L HA 0.394 4.734 4.340 -0.000 0.000 0.264 88 L C -1.591 175.310 176.870 0.052 0.000 0.984 88 L CA -0.795 54.165 54.840 0.200 0.000 0.819 88 L CB 1.576 43.733 42.059 0.163 0.000 1.330 88 L HN 0.387 nan 8.230 nan 0.000 0.410 89 Y N 3.574 124.006 120.300 0.220 0.000 2.350 89 Y HA 0.399 4.949 4.550 -0.000 0.000 0.338 89 Y C -0.284 175.637 175.900 0.036 0.000 0.961 89 Y CA -0.586 57.597 58.100 0.138 0.000 1.100 89 Y CB 2.176 40.681 38.460 0.075 0.000 1.179 89 Y HN 0.359 nan 8.280 nan 0.000 0.454 90 L N 5.079 126.348 121.223 0.077 0.000 2.264 90 L HA 0.693 5.033 4.340 -0.000 0.000 0.289 90 L C -1.173 175.664 176.870 -0.056 0.000 1.044 90 L CA -0.503 54.258 54.840 -0.132 0.000 0.807 90 L CB 0.766 42.622 42.059 -0.338 0.000 1.192 90 L HN 0.407 nan 8.230 nan 0.000 0.425 91 V N 5.071 124.930 119.914 -0.091 0.000 2.350 91 V HA 0.653 4.773 4.120 -0.000 0.000 0.285 91 V C 0.653 176.658 176.094 -0.148 0.000 1.014 91 V CA -0.479 61.770 62.300 -0.086 0.000 0.831 91 V CB 1.059 32.834 31.823 -0.081 0.000 1.000 91 V HN 0.892 nan 8.190 nan 0.000 0.433 92 G N 3.479 112.189 108.800 -0.151 0.000 2.356 92 G HA2 0.580 4.540 3.960 -0.000 0.000 0.298 92 G HA3 0.580 4.540 3.960 -0.000 0.000 0.298 92 G C 0.048 174.760 174.900 -0.312 0.000 1.145 92 G CA -0.606 44.371 45.100 -0.204 0.000 0.850 92 G HN 0.688 nan 8.290 nan 0.000 0.487 93 R N 1.448 121.698 120.500 -0.417 0.000 2.776 93 R HA 0.330 4.670 4.340 -0.000 0.000 0.391 93 R C 0.949 177.015 176.300 -0.391 0.000 1.116 93 R CA 0.171 55.828 56.100 -0.739 0.000 1.056 93 R CB 0.902 30.528 30.300 -1.123 0.000 1.369 93 R HN 0.985 nan 8.270 nan 0.000 0.590 94 G N 1.087 109.670 108.800 -0.361 0.000 2.132 94 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.228 94 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.228 94 G C -0.346 174.303 174.900 -0.418 0.000 1.000 94 G CA -0.013 44.900 45.100 -0.311 0.000 0.693 94 G HN 0.431 nan 8.290 nan 0.000 0.515 95 D N 0.727 120.939 120.400 -0.313 0.000 2.363 95 D HA 0.360 5.000 4.640 -0.000 0.000 0.263 95 D C -0.615 175.480 176.300 -0.342 0.000 1.258 95 D CA -1.712 52.084 54.000 -0.340 0.000 0.907 95 D CB 1.138 41.872 40.800 -0.111 0.000 1.107 95 D HN 0.197 nan 8.370 nan 0.000 0.495 96 P HA 0.057 nan 4.420 nan 0.000 0.245 96 P C 0.281 177.421 177.300 -0.266 0.000 1.212 96 P CA 0.488 63.363 63.100 -0.376 0.000 0.774 96 P CB 0.159 31.438 31.700 -0.703 0.000 0.999 97 T N -3.879 110.474 114.554 -0.334 0.000 3.571 97 T HA 0.235 4.585 4.350 -0.000 0.000 0.292 97 T C -0.128 174.457 174.700 -0.191 0.000 0.994 97 T CA -0.437 61.350 62.100 -0.521 0.000 0.996 97 T CB -0.695 67.479 68.868 -1.157 0.000 1.185 97 T HN -0.066 nan 8.240 nan 0.000 0.482 98 L N 3.497 124.698 121.223 -0.036 0.000 2.313 98 L HA 0.569 4.909 4.340 -0.000 0.000 0.282 98 L C 0.409 177.325 176.870 0.077 0.000 1.092 98 L CA -0.150 54.708 54.840 0.030 0.000 0.831 98 L CB 1.090 43.153 42.059 0.006 0.000 1.159 98 L HN 0.658 nan 8.230 nan 0.000 0.442 99 S N 3.255 118.997 115.700 0.071 0.000 2.747 99 S HA 0.546 5.016 4.470 -0.000 0.000 0.300 99 S C 0.829 175.454 174.600 0.041 0.000 1.121 99 S CA -0.138 58.120 58.200 0.097 0.000 0.995 99 S CB 1.761 65.041 63.200 0.134 0.000 1.113 99 S HN 0.676 nan 8.310 nan 0.000 0.547 100 A N 0.098 122.949 122.820 0.051 0.000 2.014 100 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 100 A C 1.985 179.580 177.584 0.018 0.000 1.163 100 A CA 1.702 53.763 52.037 0.039 0.000 0.652 100 A CB -1.106 17.922 19.000 0.047 0.000 0.808 100 A HN 0.958 nan 8.150 nan 0.000 0.449 101 E N 1.067 121.272 120.200 0.007 0.000 2.072 101 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 101 E C 1.182 177.754 176.600 -0.046 0.000 0.985 101 E CA 1.675 58.069 56.400 -0.009 0.000 0.801 101 E CB -0.350 29.349 29.700 -0.002 0.000 0.750 101 E HN 0.500 nan 8.360 nan 0.000 0.452 102 D N 0.231 120.571 120.400 -0.100 0.000 2.149 102 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 102 D C 1.984 178.194 176.300 -0.150 0.000 0.990 102 D CA 1.039 54.882 54.000 -0.261 0.000 0.839 102 D CB -0.129 40.409 40.800 -0.437 0.000 0.948 102 D HN 0.302 nan 8.370 nan 0.000 0.460 103 L N 0.300 121.504 121.223 -0.032 0.000 2.217 103 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 103 L C 2.069 179.036 176.870 0.161 0.000 1.107 103 L CA 0.831 55.736 54.840 0.108 0.000 0.783 103 L CB -0.189 41.968 42.059 0.163 0.000 0.919 103 L HN -0.069 nan 8.230 nan 0.000 0.442 104 D N 0.202 120.636 120.400 0.057 0.000 2.149 104 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 104 D C 2.141 178.455 176.300 0.023 0.000 0.972 104 D CA 1.158 55.172 54.000 0.024 0.000 0.835 104 D CB 0.229 41.028 40.800 -0.001 0.000 0.966 104 D HN 0.212 nan 8.370 nan 0.000 0.476 105 A N -0.322 122.507 122.820 0.014 0.000 2.067 105 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 105 A C 2.177 179.789 177.584 0.046 0.000 1.156 105 A CA 0.646 52.691 52.037 0.014 0.000 0.683 105 A CB -0.453 18.542 19.000 -0.007 0.000 0.808 105 A HN 0.288 nan 8.150 nan 0.000 0.455 106 M N -0.894 118.757 119.600 0.085 0.000 2.349 106 M HA -0.009 4.470 4.480 -0.000 0.000 0.266 106 M C 2.390 178.827 176.300 0.227 0.000 1.076 106 M CA 1.000 56.388 55.300 0.147 0.000 1.126 106 M CB -0.151 32.533 32.600 0.140 0.000 1.392 106 M HN 0.479 nan 8.290 nan 0.000 0.440 107 A N 0.339 123.285 122.820 0.209 0.000 1.929 107 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 107 A C 2.316 179.899 177.584 -0.002 0.000 1.176 107 A CA 1.608 53.660 52.037 0.025 0.000 0.628 107 A CB -0.715 18.178 19.000 -0.178 0.000 0.816 107 A HN 0.452 nan 8.150 nan 0.000 0.444 108 A N -0.179 122.648 122.820 0.011 0.000 1.933 108 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 108 A C 1.898 179.493 177.584 0.018 0.000 1.175 108 A CA 1.619 53.658 52.037 0.003 0.000 0.628 108 A CB -0.486 18.516 19.000 0.003 0.000 0.814 108 A HN 0.618 nan 8.150 nan 0.000 0.444 109 E N -0.420 119.804 120.200 0.040 0.000 2.110 109 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 109 E C 1.923 178.551 176.600 0.047 0.000 0.988 109 E CA 1.225 57.651 56.400 0.044 0.000 0.804 109 E CB -0.169 29.564 29.700 0.056 0.000 0.745 109 E HN 0.432 nan 8.360 nan 0.000 0.458 110 V N 0.976 120.928 119.914 0.063 0.000 2.427 110 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 110 V C 2.245 178.354 176.094 0.025 0.000 1.051 110 V CA 1.748 64.084 62.300 0.060 0.000 1.048 110 V CB -0.533 31.344 31.823 0.090 0.000 0.666 110 V HN 0.304 nan 8.190 nan 0.000 0.456 111 A N -0.052 122.772 122.820 0.006 0.000 1.968 111 A HA 0.045 4.364 4.320 -0.000 0.000 0.217 111 A C 2.312 179.896 177.584 -0.001 0.000 1.169 111 A CA 1.612 53.645 52.037 -0.007 0.000 0.638 111 A CB -0.535 18.452 19.000 -0.021 0.000 0.812 111 A HN 0.547 nan 8.150 nan 0.000 0.446 112 A N -0.862 121.962 122.820 0.006 0.000 2.119 112 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 112 A C 2.151 179.740 177.584 0.008 0.000 1.152 112 A CA 1.473 53.514 52.037 0.006 0.000 0.708 112 A CB -0.425 18.581 19.000 0.009 0.000 0.805 112 A HN 0.381 nan 8.150 nan 0.000 0.460 113 S N -1.712 113.996 115.700 0.013 0.000 2.527 113 S HA 0.324 4.794 4.470 -0.000 0.000 0.222 113 S C 1.416 176.021 174.600 0.008 0.000 0.985 113 S CA 0.898 59.106 58.200 0.013 0.000 0.921 113 S CB 0.197 63.410 63.200 0.022 0.000 0.772 113 S HN 1.463 nan 8.310 nan 0.000 0.529 114 G N 0.510 109.313 108.800 0.005 0.000 2.205 114 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.180 114 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.180 114 G C -0.025 174.875 174.900 0.000 0.000 1.004 114 G CA -0.281 44.819 45.100 0.001 0.000 0.670 114 G HN 0.333 nan 8.290 nan 0.000 0.496 115 V N 1.046 120.962 119.914 0.003 0.000 2.461 115 V HA 0.570 4.690 4.120 -0.000 0.000 0.275 115 V C 1.134 177.224 176.094 -0.008 0.000 1.047 115 V CA 0.622 62.923 62.300 0.002 0.000 0.955 115 V CB 1.249 33.080 31.823 0.014 0.000 0.988 115 V HN 0.560 nan 8.190 nan 0.000 0.471 116 R N 1.721 122.215 120.500 -0.010 0.000 2.541 116 R HA 0.333 4.673 4.340 -0.000 0.000 0.332 116 R C -0.020 176.268 176.300 -0.020 0.000 0.951 116 R CA -0.174 55.915 56.100 -0.018 0.000 1.136 116 R CB 0.314 30.604 30.300 -0.017 0.000 1.449 116 R HN 0.569 nan 8.270 nan 0.000 0.531 117 T N 0.491 115.038 114.554 -0.013 0.000 3.109 117 T HA 0.353 4.703 4.350 -0.000 0.000 0.311 117 T C -1.045 173.654 174.700 -0.002 0.000 1.011 117 T CA -0.687 61.406 62.100 -0.012 0.000 1.026 117 T CB 2.458 71.321 68.868 -0.008 0.000 1.047 117 T HN -0.136 nan 8.240 nan 0.000 0.448 118 V N 4.516 124.427 119.914 -0.005 0.000 2.353 118 V HA 0.274 4.394 4.120 -0.000 0.000 0.264 118 V C 1.345 177.443 176.094 0.007 0.000 1.049 118 V CA -0.309 61.996 62.300 0.009 0.000 0.896 118 V CB 0.613 32.439 31.823 0.004 0.000 1.025 118 V HN 0.786 nan 8.190 nan 0.000 0.475 119 R N 2.736 123.247 120.500 0.018 0.000 2.240 119 R HA 0.173 4.513 4.340 -0.000 0.000 0.203 119 R C 1.370 177.684 176.300 0.024 0.000 1.011 119 R CA 0.710 56.820 56.100 0.017 0.000 1.007 119 R CB 0.406 30.717 30.300 0.018 0.000 0.911 119 R HN 0.826 nan 8.270 nan 0.000 0.468 120 G N -0.295 108.528 108.800 0.038 0.000 3.019 120 G HA2 0.126 4.086 3.960 -0.000 0.000 0.152 120 G HA3 0.126 4.086 3.960 -0.000 0.000 0.152 120 G C -0.811 174.089 174.900 -0.001 0.000 1.320 120 G CA -0.523 44.604 45.100 0.045 0.000 1.013 120 G HN -0.030 nan 8.290 nan 0.000 0.593 121 D N -0.047 120.340 120.400 -0.022 0.000 2.229 121 D HA 0.374 5.014 4.640 -0.000 0.000 0.249 121 D C -0.769 175.372 176.300 -0.265 0.000 1.027 121 D CA -0.303 53.572 54.000 -0.208 0.000 0.923 121 D CB 2.636 43.182 40.800 -0.424 0.000 1.174 121 D HN 0.113 nan 8.370 nan 0.000 0.443 122 L N 2.291 123.331 121.223 -0.306 0.000 2.264 122 L HA 0.295 4.635 4.340 -0.000 0.000 0.289 122 L C -1.568 175.081 176.870 -0.369 0.000 1.044 122 L CA -0.352 54.355 54.840 -0.222 0.000 0.807 122 L CB 0.204 42.226 42.059 -0.061 0.000 1.192 122 L HN 0.217 nan 8.230 nan 0.000 0.425 123 Y N 3.601 123.727 120.300 -0.290 0.000 2.377 123 Y HA 0.699 5.248 4.550 -0.000 0.000 0.339 123 Y C 0.344 176.186 175.900 -0.098 0.000 1.011 123 Y CA -0.733 57.212 58.100 -0.257 0.000 1.093 123 Y CB 1.944 40.080 38.460 -0.539 0.000 1.201 123 Y HN 0.719 nan 8.280 nan 0.000 0.455 124 A N 2.741 125.644 122.820 0.138 0.000 2.279 124 A HA 0.270 4.590 4.320 -0.000 0.000 0.306 124 A C -0.746 176.917 177.584 0.131 0.000 1.300 124 A CA -0.514 51.582 52.037 0.098 0.000 0.925 124 A CB -0.062 18.967 19.000 0.049 0.000 1.152 124 A HN 0.661 nan 8.150 nan 0.000 0.544 125 D N 2.932 123.407 120.400 0.124 0.000 2.396 125 D HA 0.217 4.857 4.640 -0.000 0.000 0.225 125 D C -0.541 175.772 176.300 0.023 0.000 1.121 125 D CA -0.198 53.858 54.000 0.093 0.000 0.853 125 D CB 1.099 41.956 40.800 0.095 0.000 1.043 125 D HN 0.553 nan 8.370 nan 0.000 0.500 126 D N 1.268 121.684 120.400 0.026 0.000 2.538 126 D HA -0.063 4.577 4.640 -0.000 0.000 0.231 126 D C 1.257 177.579 176.300 0.038 0.000 1.229 126 D CA -0.166 53.834 54.000 0.001 0.000 0.828 126 D CB -0.260 40.541 40.800 0.001 0.000 1.035 126 D HN 0.305 nan 8.370 nan 0.000 0.495 127 T N -3.881 110.706 114.554 0.054 0.000 3.077 127 T HA -0.168 4.181 4.350 -0.000 0.000 0.269 127 T C 1.370 176.148 174.700 0.130 0.000 1.146 127 T CA 0.062 62.203 62.100 0.069 0.000 1.091 127 T CB -0.879 68.008 68.868 0.030 0.000 0.892 127 T HN 0.430 nan 8.240 nan 0.000 0.533 128 W N 1.225 122.478 121.300 -0.078 0.000 2.392 128 W HA 0.155 4.815 4.660 -0.000 0.000 0.279 128 W C -0.364 176.246 176.519 0.151 0.000 1.225 128 W CA 0.141 57.452 57.345 -0.058 0.000 1.233 128 W CB -0.049 29.289 29.460 -0.203 0.000 1.122 128 W HN 0.258 nan 8.180 nan 0.000 0.561 129 F N 1.580 121.537 119.950 0.012 0.000 2.541 129 F HA 0.120 4.647 4.527 -0.000 0.000 0.331 129 F C 0.641 176.381 175.800 -0.102 0.000 1.057 129 F CA -1.575 56.349 58.000 -0.125 0.000 0.975 129 F CB 0.782 39.711 39.000 -0.118 0.000 1.246 129 F HN -0.269 nan 8.300 nan 0.000 0.484 130 D N -0.707 119.721 120.400 0.046 0.000 2.371 130 D HA 0.011 4.651 4.640 -0.000 0.000 0.242 130 D C 0.424 176.735 176.300 0.017 0.000 1.218 130 D CA -0.491 53.510 54.000 0.001 0.000 0.945 130 D CB 0.988 41.760 40.800 -0.047 0.000 1.137 130 D HN 0.416 nan 8.370 nan 0.000 0.464 131 S N -1.650 114.064 115.700 0.023 0.000 2.685 131 S HA 0.032 4.502 4.470 -0.000 0.000 0.240 131 S C 0.338 174.965 174.600 0.045 0.000 0.967 131 S CA -0.660 57.564 58.200 0.040 0.000 1.009 131 S CB -0.589 62.636 63.200 0.043 0.000 0.776 131 S HN 0.537 nan 8.310 nan 0.000 0.467 132 E N 1.407 121.627 120.200 0.033 0.000 2.089 132 E HA 0.238 4.588 4.350 -0.000 0.000 0.284 132 E C 0.469 177.146 176.600 0.128 0.000 1.023 132 E CA -0.592 55.862 56.400 0.090 0.000 0.819 132 E CB 0.424 30.203 29.700 0.131 0.000 1.076 132 E HN 0.212 nan 8.360 nan 0.000 0.396 133 R N 2.795 123.391 120.500 0.160 0.000 2.173 133 R HA 0.228 4.568 4.340 -0.000 0.000 0.208 133 R C 0.289 176.776 176.300 0.312 0.000 1.035 133 R CA 0.480 56.694 56.100 0.190 0.000 1.004 133 R CB -0.043 30.348 30.300 0.152 0.000 0.917 133 R HN 0.442 nan 8.270 nan 0.000 0.462 134 L N -0.345 121.029 121.223 0.252 0.000 2.434 134 L HA 0.377 4.717 4.340 -0.000 0.000 0.260 134 L C -0.476 176.097 176.870 -0.494 0.000 0.983 134 L CA -1.010 53.834 54.840 0.007 0.000 0.820 134 L CB 2.760 44.903 42.059 0.141 0.000 1.361 134 L HN -0.362 nan 8.230 nan 0.000 0.410 135 V N 1.166 120.160 119.914 -1.534 0.000 2.811 135 V HA -0.013 4.107 4.120 -0.000 0.000 0.302 135 V C 0.709 176.309 176.094 -0.822 0.000 1.063 135 V CA 0.112 61.459 62.300 -1.589 0.000 1.088 135 V CB 1.068 31.528 31.823 -2.271 0.000 0.982 135 V HN 0.788 nan 8.190 nan 0.000 0.485 136 D N 2.695 122.792 120.400 -0.505 0.000 2.104 136 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 136 D C 1.545 177.781 176.300 -0.106 0.000 0.994 136 D CA 1.856 55.722 54.000 -0.222 0.000 0.830 136 D CB -0.090 40.614 40.800 -0.160 0.000 0.959 136 D HN 0.908 nan 8.370 nan 0.000 0.452 137 D N -0.876 119.453 120.400 -0.118 0.000 2.328 137 D HA -0.105 4.535 4.640 -0.000 0.000 0.226 137 D C 0.218 176.650 176.300 0.220 0.000 1.066 137 D CA -0.289 53.745 54.000 0.056 0.000 0.861 137 D CB -0.543 40.277 40.800 0.034 0.000 0.912 137 D HN 0.060 nan 8.370 nan 0.000 0.521 138 W N 0.852 122.134 121.300 -0.029 0.000 2.150 138 W HA 0.220 4.880 4.660 -0.000 0.000 0.341 138 W C 0.470 177.096 176.519 0.178 0.000 1.276 138 W CA -1.250 56.081 57.345 -0.023 0.000 1.238 138 W CB -0.057 29.384 29.460 -0.031 0.000 1.128 138 W HN -0.043 nan 8.180 nan 0.000 0.581 139 W N 3.672 125.105 121.300 0.221 0.000 2.335 139 W HA 0.207 4.866 4.660 -0.000 0.000 0.306 139 W C -1.206 175.386 176.519 0.122 0.000 1.216 139 W CA -2.725 54.700 57.345 0.134 0.000 1.237 139 W CB -0.351 29.168 29.460 0.099 0.000 1.243 139 W HN 0.220 nan 8.180 nan 0.000 0.493 140 P HA -0.223 nan 4.420 nan 0.000 0.218 140 P C 1.031 178.416 177.300 0.141 0.000 1.146 140 P CA 1.834 65.039 63.100 0.175 0.000 0.813 140 P CB 0.474 32.240 31.700 0.111 0.000 0.778 141 E N -0.947 119.359 120.200 0.176 0.000 2.274 141 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 141 E C 1.406 178.131 176.600 0.208 0.000 0.996 141 E CA 0.811 57.305 56.400 0.157 0.000 0.840 141 E CB -0.598 29.192 29.700 0.148 0.000 0.772 141 E HN 0.272 nan 8.360 nan 0.000 0.491 142 D N 0.452 121.008 120.400 0.260 0.000 2.317 142 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 142 D C 1.192 177.485 176.300 -0.011 0.000 0.966 142 D CA 0.476 54.620 54.000 0.239 0.000 0.876 142 D CB 0.011 40.944 40.800 0.222 0.000 0.927 142 D HN 0.298 nan 8.370 nan 0.000 0.519 143 E N 0.229 120.404 120.200 -0.043 0.000 2.204 143 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 143 E C -0.828 175.626 176.600 -0.243 0.000 0.990 143 E CA 0.753 57.096 56.400 -0.095 0.000 0.821 143 E CB -0.481 29.219 29.700 -0.001 0.000 0.750 143 E HN 0.337 nan 8.360 nan 0.000 0.477 144 P HA -0.085 nan 4.420 nan 0.000 0.229 144 P C -0.467 176.491 177.300 -0.569 0.000 1.160 144 P CA 0.892 63.670 63.100 -0.537 0.000 0.777 144 P CB 0.015 31.314 31.700 -0.669 0.000 0.814 145 Y N -1.176 118.977 120.300 -0.245 0.000 2.316 145 Y HA 0.457 5.007 4.550 -0.000 0.000 0.324 145 Y C 2.021 177.702 175.900 -0.365 0.000 1.267 145 Y CA -0.970 56.931 58.100 -0.332 0.000 1.311 145 Y CB 0.284 38.447 38.460 -0.495 0.000 1.267 145 Y HN -0.229 nan 8.280 nan 0.000 0.516 146 A N 1.474 124.266 122.820 -0.047 0.000 2.019 146 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 146 A C 1.612 179.194 177.584 -0.003 0.000 1.164 146 A CA 1.606 53.635 52.037 -0.014 0.000 0.644 146 A CB -1.230 17.798 19.000 0.046 0.000 0.805 146 A HN 0.923 nan 8.150 nan 0.000 0.449 147 Y N -2.566 117.755 120.300 0.034 0.000 2.561 147 Y HA 0.332 4.882 4.550 -0.000 0.000 0.291 147 Y C 1.553 177.390 175.900 -0.104 0.000 1.141 147 Y CA 0.678 58.758 58.100 -0.033 0.000 1.303 147 Y CB -0.428 37.992 38.460 -0.066 0.000 1.015 147 Y HN 0.156 nan 8.280 nan 0.000 0.547 148 S N 0.608 116.147 115.700 -0.267 0.000 2.661 148 S HA 0.653 5.123 4.470 -0.000 0.000 0.245 148 S C 0.353 174.941 174.600 -0.021 0.000 1.117 148 S CA -0.348 57.720 58.200 -0.220 0.000 1.091 148 S CB -1.063 61.962 63.200 -0.291 0.000 0.887 148 S HN 0.578 nan 8.310 nan 0.000 0.491 149 A N 1.349 124.192 122.820 0.038 0.000 2.445 149 A HA 0.386 4.706 4.320 -0.000 0.000 0.242 149 A C 0.388 178.103 177.584 0.218 0.000 1.075 149 A CA -0.027 52.074 52.037 0.106 0.000 0.777 149 A CB 0.174 19.236 19.000 0.103 0.000 1.013 149 A HN 0.702 nan 8.150 nan 0.000 0.493 150 Q N 0.383 120.301 119.800 0.196 0.000 2.392 150 Q HA 0.230 4.569 4.340 -0.000 0.000 0.262 150 Q C -0.453 175.678 176.000 0.218 0.000 1.003 150 Q CA -0.065 55.876 55.803 0.230 0.000 0.888 150 Q CB 0.625 29.463 28.738 0.167 0.000 1.260 150 Q HN 0.550 nan 8.270 nan 0.000 0.435 151 I N 1.337 122.045 120.570 0.229 0.000 2.385 151 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 151 I C 0.147 176.337 176.117 0.121 0.000 0.988 151 I CA 0.216 61.615 61.300 0.165 0.000 1.265 151 I CB 1.162 39.218 38.000 0.093 0.000 1.388 151 I HN 0.490 nan 8.210 nan 0.000 0.480 152 S N 3.060 118.854 115.700 0.156 0.000 2.565 152 S HA 0.686 5.155 4.470 -0.000 0.000 0.269 152 S C 0.503 175.162 174.600 0.099 0.000 1.153 152 S CA 0.100 58.385 58.200 0.141 0.000 0.835 152 S CB 1.752 65.000 63.200 0.079 0.000 1.122 152 S HN 0.676 nan 8.310 nan 0.000 0.462 153 A N 2.312 125.073 122.820 -0.100 0.000 1.930 153 A HA 0.332 4.652 4.320 -0.000 0.000 0.215 153 A C 0.742 178.172 177.584 -0.256 0.000 1.176 153 A CA 0.636 52.375 52.037 -0.496 0.000 0.632 153 A CB -0.277 18.368 19.000 -0.592 0.000 0.819 153 A HN 0.673 nan 8.150 nan 0.000 0.445 154 L N 1.169 122.315 121.223 -0.129 0.000 2.272 154 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 154 L C -0.697 176.147 176.870 -0.042 0.000 1.045 154 L CA -0.045 54.740 54.840 -0.091 0.000 0.842 154 L CB 1.069 43.085 42.059 -0.072 0.000 1.224 154 L HN 0.208 nan 8.230 nan 0.000 0.430 155 T N 2.924 117.458 114.554 -0.035 0.000 2.952 155 T HA 0.438 4.788 4.350 -0.000 0.000 0.305 155 T C -0.783 173.932 174.700 0.025 0.000 1.064 155 T CA -0.323 61.782 62.100 0.010 0.000 1.008 155 T CB 1.690 70.584 68.868 0.044 0.000 1.078 155 T HN 0.108 nan 8.240 nan 0.000 0.459 156 V N 4.063 124.005 119.914 0.047 0.000 2.461 156 V HA 0.676 4.796 4.120 -0.000 0.000 0.275 156 V C 0.757 176.931 176.094 0.132 0.000 1.047 156 V CA -0.654 61.691 62.300 0.075 0.000 0.955 156 V CB 0.908 32.772 31.823 0.068 0.000 0.988 156 V HN 1.061 nan 8.190 nan 0.000 0.471 157 A N 3.653 126.581 122.820 0.179 0.000 2.290 157 A HA 0.589 4.909 4.320 -0.000 0.000 0.310 157 A C -0.480 177.271 177.584 0.279 0.000 1.202 157 A CA -0.418 51.787 52.037 0.279 0.000 0.837 157 A CB 0.149 19.399 19.000 0.417 0.000 1.139 157 A HN 1.007 nan 8.150 nan 0.000 0.509 158 H N 1.388 120.547 119.070 0.148 0.000 2.489 158 H HA 0.533 5.088 4.556 -0.000 0.000 0.322 158 H C 0.758 176.091 175.328 0.007 0.000 1.091 158 H CA 1.135 57.227 56.048 0.073 0.000 1.291 158 H CB 0.811 30.602 29.762 0.048 0.000 1.436 158 H HN 1.569 nan 8.280 nan 0.000 0.480 159 G N 3.797 112.249 108.800 -0.579 0.000 2.782 159 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.228 159 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.228 159 G C 0.654 175.262 174.900 -0.486 0.000 1.372 159 G CA 0.139 44.938 45.100 -0.501 0.000 0.862 159 G HN 0.842 nan 8.290 nan 0.000 0.547 160 E N -0.542 119.409 120.200 -0.415 0.000 2.482 160 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 160 E C 2.089 178.409 176.600 -0.466 0.000 1.047 160 E CA 0.805 56.900 56.400 -0.508 0.000 0.869 160 E CB 0.113 29.718 29.700 -0.159 0.000 0.836 160 E HN 0.518 nan 8.360 nan 0.000 0.520 161 R N -0.140 120.156 120.500 -0.340 0.000 2.280 161 R HA 0.172 4.511 4.340 -0.000 0.000 0.195 161 R C -0.481 175.849 176.300 0.050 0.000 0.935 161 R CA 0.006 56.013 56.100 -0.154 0.000 1.033 161 R CB -0.097 30.014 30.300 -0.315 0.000 0.964 161 R HN 0.111 nan 8.270 nan 0.000 0.489 162 F N 1.674 121.700 119.950 0.127 0.000 2.807 162 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 162 F C -0.805 175.071 175.800 0.128 0.000 1.024 162 F CA 0.080 58.183 58.000 0.172 0.000 1.008 162 F CB -1.317 37.864 39.000 0.302 0.000 1.142 162 F HN 0.053 nan 8.300 nan 0.000 0.829 163 D N 1.540 122.068 120.400 0.212 0.000 2.325 163 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 163 D C 0.751 177.166 176.300 0.192 0.000 1.196 163 D CA 0.218 54.309 54.000 0.152 0.000 0.866 163 D CB 1.165 42.033 40.800 0.112 0.000 1.101 163 D HN 0.327 nan 8.370 nan 0.000 0.476 164 T N -1.625 113.037 114.554 0.179 0.000 2.909 164 T HA 0.479 4.829 4.350 -0.000 0.000 0.289 164 T C 1.189 175.967 174.700 0.129 0.000 1.005 164 T CA -0.295 61.909 62.100 0.173 0.000 1.084 164 T CB 1.618 70.599 68.868 0.187 0.000 0.975 164 T HN 0.532 nan 8.240 nan 0.000 0.509 165 G N 0.779 109.647 108.800 0.113 0.000 2.221 165 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.265 165 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.265 165 G C 0.034 174.978 174.900 0.073 0.000 1.041 165 G CA 0.170 45.326 45.100 0.093 0.000 0.807 165 G HN 1.860 nan 8.290 nan 0.000 0.502 166 V N -3.696 116.256 119.914 0.063 0.000 3.001 166 V HA 0.972 5.092 4.120 -0.000 0.000 0.314 166 V C 0.030 176.124 176.094 -0.001 0.000 1.099 166 V CA -0.221 62.091 62.300 0.021 0.000 0.989 166 V CB 2.087 33.906 31.823 -0.005 0.000 1.040 166 V HN 0.701 nan 8.190 nan 0.000 0.434 167 T N 1.109 115.646 114.554 -0.028 0.000 2.887 167 T HA 0.447 4.796 4.350 -0.000 0.000 0.288 167 T C -0.718 173.910 174.700 -0.120 0.000 1.021 167 T CA -0.389 61.684 62.100 -0.045 0.000 1.000 167 T CB 1.587 70.466 68.868 0.019 0.000 1.034 167 T HN 1.109 nan 8.240 nan 0.000 0.467 168 E N 3.347 123.450 120.200 -0.162 0.000 2.130 168 E HA 0.486 4.836 4.350 -0.000 0.000 0.284 168 E C -0.975 175.590 176.600 -0.058 0.000 1.018 168 E CA -0.646 55.654 56.400 -0.166 0.000 0.817 168 E CB 0.615 30.183 29.700 -0.219 0.000 1.078 168 E HN 0.379 nan 8.360 nan 0.000 0.396 169 V N 4.047 123.935 119.914 -0.043 0.000 2.481 169 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 169 V C -0.042 176.049 176.094 -0.007 0.000 1.042 169 V CA -0.580 61.710 62.300 -0.016 0.000 0.928 169 V CB 1.318 33.133 31.823 -0.013 0.000 0.986 169 V HN 0.750 nan 8.190 nan 0.000 0.462 170 S N 3.526 119.227 115.700 0.002 0.000 2.557 170 S HA 0.803 5.273 4.470 -0.000 0.000 0.291 170 S C -1.130 173.474 174.600 0.007 0.000 1.116 170 S CA -0.685 57.519 58.200 0.007 0.000 0.992 170 S CB 1.783 64.990 63.200 0.011 0.000 1.028 170 S HN 0.421 nan 8.310 nan 0.000 0.484 171 V N 3.064 122.982 119.914 0.008 0.000 2.448 171 V HA 0.773 4.893 4.120 -0.000 0.000 0.295 171 V C 0.201 176.299 176.094 0.008 0.000 1.025 171 V CA -0.407 61.897 62.300 0.007 0.000 0.859 171 V CB 1.524 33.351 31.823 0.007 0.000 0.988 171 V HN 1.124 nan 8.190 nan 0.000 0.431 172 T N 3.148 117.706 114.554 0.007 0.000 2.863 172 T HA 0.674 5.024 4.350 -0.000 0.000 0.285 172 T C -2.915 171.789 174.700 0.006 0.000 1.009 172 T CA -2.330 59.775 62.100 0.007 0.000 0.989 172 T CB 2.326 71.198 68.868 0.007 0.000 1.004 172 T HN 0.447 nan 8.240 nan 0.000 0.455 173 P HA 0.463 nan 4.420 nan 0.000 0.271 173 P C -0.342 176.960 177.300 0.004 0.000 1.218 173 P CA -0.286 62.817 63.100 0.005 0.000 0.780 173 P CB 1.054 32.757 31.700 0.005 0.000 0.901 174 A N 2.543 125.365 122.820 0.004 0.000 3.708 174 A HA 0.758 5.078 4.320 -0.000 0.000 0.178 174 A C -0.100 177.486 177.584 0.003 0.000 1.050 174 A CA -0.086 51.952 52.037 0.003 0.000 1.245 174 A CB -0.317 18.684 19.000 0.003 0.000 1.600 174 A HN 0.534 nan 8.150 nan 0.000 0.697 175 A N 0.980 123.801 122.820 0.002 0.000 2.401 175 A HA 0.496 4.816 4.320 -0.000 0.000 0.259 175 A C -0.094 177.491 177.584 0.002 0.000 1.103 175 A CA -0.397 51.641 52.037 0.002 0.000 0.789 175 A CB -0.358 18.643 19.000 0.002 0.000 1.035 175 A HN 0.546 nan 8.150 nan 0.000 0.491 176 E N 1.552 121.754 120.200 0.002 0.000 2.417 176 E HA 0.338 4.688 4.350 -0.000 0.000 0.261 176 E C 1.009 177.610 176.600 0.001 0.000 1.000 176 E CA 0.650 57.051 56.400 0.002 0.000 0.919 176 E CB 0.285 29.986 29.700 0.002 0.000 0.955 176 E HN 1.352 nan 8.360 nan 0.000 0.455 177 G N 3.125 111.926 108.800 0.001 0.000 2.217 177 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 177 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 177 G C 0.162 175.062 174.900 0.001 0.000 0.990 177 G CA 0.199 45.300 45.100 0.001 0.000 0.627 177 G HN 0.546 nan 8.290 nan 0.000 0.522 178 E N 1.110 121.311 120.200 0.001 0.000 2.250 178 E HA 0.469 4.819 4.350 -0.000 0.000 0.265 178 E C -2.481 174.120 176.600 0.001 0.000 1.033 178 E CA -2.198 54.203 56.400 0.001 0.000 0.888 178 E CB 1.211 30.911 29.700 0.001 0.000 1.151 178 E HN 0.068 nan 8.360 nan 0.000 0.412 179 P HA -0.056 nan 4.420 nan 0.000 0.264 179 P C -1.100 176.201 177.300 0.001 0.000 1.183 179 P CA 0.310 63.410 63.100 0.000 0.000 0.763 179 P CB 0.502 32.201 31.700 -0.001 0.000 0.807 180 A N 3.218 126.039 122.820 0.001 0.000 2.366 180 A HA 0.195 4.515 4.320 -0.000 0.000 0.249 180 A C 0.084 177.669 177.584 0.002 0.000 1.084 180 A CA -0.251 51.788 52.037 0.002 0.000 0.794 180 A CB -0.016 18.986 19.000 0.003 0.000 1.034 180 A HN 0.435 nan 8.150 nan 0.000 0.491 181 D N 0.640 121.042 120.400 0.003 0.000 2.277 181 D HA 0.435 5.075 4.640 -0.000 0.000 0.249 181 D C -0.649 175.654 176.300 0.005 0.000 1.134 181 D CA 0.324 54.326 54.000 0.004 0.000 0.863 181 D CB 1.346 42.149 40.800 0.005 0.000 1.143 181 D HN 0.129 nan 8.370 nan 0.000 0.458 182 V N 3.014 122.931 119.914 0.004 0.000 2.540 182 V HA 0.294 4.414 4.120 -0.000 0.000 0.302 182 V C -0.002 176.096 176.094 0.007 0.000 1.035 182 V CA -0.805 61.497 62.300 0.004 0.000 0.873 182 V CB 2.389 34.212 31.823 0.001 0.000 0.992 182 V HN 0.449 nan 8.190 nan 0.000 0.428 183 D N 3.265 123.670 120.400 0.009 0.000 2.505 183 D HA 0.411 5.051 4.640 -0.000 0.000 0.249 183 D C 0.322 176.630 176.300 0.014 0.000 1.082 183 D CA -0.473 53.536 54.000 0.014 0.000 0.839 183 D CB 2.472 43.282 40.800 0.017 0.000 1.317 183 D HN 0.421 nan 8.370 nan 0.000 0.497 184 L N 2.897 124.131 121.223 0.019 0.000 2.558 184 L HA 0.209 4.549 4.340 -0.000 0.000 0.225 184 L C 1.660 178.548 176.870 0.029 0.000 1.128 184 L CA 0.471 55.323 54.840 0.020 0.000 0.868 184 L CB -0.457 41.615 42.059 0.022 0.000 1.006 184 L HN 0.754 nan 8.230 nan 0.000 0.454 185 G N 0.752 109.574 108.800 0.037 0.000 2.514 185 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.265 185 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.265 185 G C 0.900 175.844 174.900 0.074 0.000 1.150 185 G CA 0.368 45.496 45.100 0.047 0.000 0.959 185 G HN 0.248 nan 8.290 nan 0.000 0.556 186 A N -0.235 122.635 122.820 0.084 0.000 1.972 186 A HA 0.352 4.672 4.320 -0.000 0.000 0.219 186 A C 2.799 180.485 177.584 0.170 0.000 1.169 186 A CA 3.215 55.321 52.037 0.115 0.000 0.635 186 A CB -0.835 18.229 19.000 0.107 0.000 0.810 186 A HN 2.317 nan 8.150 nan 0.000 0.446 187 A N -0.402 122.503 122.820 0.141 0.000 2.235 187 A HA 0.126 4.445 4.320 -0.000 0.000 0.208 187 A C 0.581 178.242 177.584 0.130 0.000 1.172 187 A CA -0.074 52.066 52.037 0.172 0.000 0.786 187 A CB -0.240 18.856 19.000 0.160 0.000 0.804 187 A HN 0.410 nan 8.150 nan 0.000 0.479 188 E N -0.181 120.102 120.200 0.138 0.000 2.480 188 E HA 0.214 4.564 4.350 -0.000 0.000 0.258 188 E C 1.264 177.963 176.600 0.165 0.000 0.984 188 E CA 1.143 57.614 56.400 0.119 0.000 0.930 188 E CB 0.246 30.011 29.700 0.109 0.000 0.936 188 E HN 0.670 nan 8.360 nan 0.000 0.466 189 G N 3.344 112.189 108.800 0.074 0.000 2.184 189 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 189 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 189 G C 0.523 175.363 174.900 -0.100 0.000 0.975 189 G CA 0.785 45.920 45.100 0.060 0.000 0.642 189 G HN 0.621 nan 8.290 nan 0.000 0.536 190 Y N 0.450 120.535 120.300 -0.358 0.000 2.673 190 Y HA 0.702 5.252 4.550 -0.000 0.000 0.278 190 Y C 1.625 177.405 175.900 -0.200 0.000 1.127 190 Y CA 1.295 59.127 58.100 -0.447 0.000 1.261 190 Y CB 0.026 38.084 38.460 -0.670 0.000 1.412 190 Y HN 0.648 nan 8.280 nan 0.000 0.496 191 A N 1.405 124.055 122.820 -0.284 0.000 2.293 191 A HA 0.427 4.747 4.320 -0.000 0.000 0.302 191 A C -0.452 177.027 177.584 -0.175 0.000 1.119 191 A CA -0.609 51.252 52.037 -0.292 0.000 0.823 191 A CB 0.301 19.219 19.000 -0.137 0.000 1.097 191 A HN 0.439 nan 8.150 nan 0.000 0.491 192 E N 0.001 120.106 120.200 -0.159 0.000 2.313 192 E HA 0.367 4.717 4.350 -0.000 0.000 0.272 192 E C -1.222 175.336 176.600 -0.071 0.000 1.038 192 E CA -0.595 55.744 56.400 -0.101 0.000 0.863 192 E CB 1.670 31.313 29.700 -0.095 0.000 1.060 192 E HN 0.451 nan 8.360 nan 0.000 0.402 193 L N 2.187 123.380 121.223 -0.049 0.000 2.307 193 L HA 0.313 4.653 4.340 -0.000 0.000 0.284 193 L C -0.857 175.995 176.870 -0.031 0.000 1.023 193 L CA -0.213 54.606 54.840 -0.035 0.000 0.810 193 L CB 1.394 43.439 42.059 -0.023 0.000 1.231 193 L HN 0.345 nan 8.230 nan 0.000 0.423 194 D N 3.018 123.401 120.400 -0.028 0.000 2.434 194 D HA 0.191 4.831 4.640 -0.000 0.000 0.275 194 D C -0.978 175.311 176.300 -0.017 0.000 1.172 194 D CA -0.271 53.715 54.000 -0.024 0.000 0.916 194 D CB 0.205 40.990 40.800 -0.026 0.000 1.041 194 D HN 0.470 nan 8.370 nan 0.000 0.501 195 N N 2.443 121.135 118.700 -0.014 0.000 2.415 195 N HA 0.221 4.961 4.740 -0.000 0.000 0.246 195 N C -0.151 175.355 175.510 -0.007 0.000 1.078 195 N CA -0.050 52.994 53.050 -0.009 0.000 0.942 195 N CB 0.411 38.893 38.487 -0.007 0.000 1.140 195 N HN 0.289 nan 8.380 nan 0.000 0.501 196 R N 1.698 122.195 120.500 -0.006 0.000 2.662 196 R HA 0.416 4.755 4.340 -0.000 0.000 0.396 196 R C -0.334 175.964 176.300 -0.002 0.000 1.096 196 R CA -0.354 55.743 56.100 -0.005 0.000 1.081 196 R CB 0.740 31.036 30.300 -0.006 0.000 1.382 196 R HN 0.481 nan 8.270 nan 0.000 0.580 197 A N 0.453 123.272 122.820 -0.001 0.000 2.264 197 A HA 0.654 4.974 4.320 -0.000 0.000 0.304 197 A C 0.069 177.654 177.584 0.001 0.000 1.100 197 A CA -0.527 51.511 52.037 0.001 0.000 0.839 197 A CB 0.753 19.754 19.000 0.002 0.000 1.121 197 A HN 0.075 nan 8.150 nan 0.000 0.496 198 V N -1.734 118.181 119.914 0.002 0.000 2.919 198 V HA 0.701 4.821 4.120 -0.000 0.000 0.316 198 V C 0.090 176.185 176.094 0.003 0.000 1.077 198 V CA -0.698 61.603 62.300 0.002 0.000 0.977 198 V CB 1.327 33.151 31.823 0.002 0.000 1.039 198 V HN 0.770 nan 8.190 nan 0.000 0.441 199 T N 2.561 117.116 114.554 0.003 0.000 2.794 199 T HA 0.566 4.916 4.350 -0.000 0.000 0.296 199 T C 0.530 175.231 174.700 0.003 0.000 0.949 199 T CA 0.506 62.608 62.100 0.003 0.000 1.101 199 T CB 0.929 69.798 68.868 0.003 0.000 0.905 199 T HN 1.227 nan 8.240 nan 0.000 0.516 200 G N 1.337 110.139 108.800 0.003 0.000 2.502 200 G HA2 0.616 4.576 3.960 -0.000 0.000 0.305 200 G HA3 0.616 4.576 3.960 -0.000 0.000 0.305 200 G C -0.077 174.825 174.900 0.003 0.000 1.190 200 G CA -0.866 44.236 45.100 0.003 0.000 0.933 200 G HN 0.965 nan 8.290 nan 0.000 0.503 201 A N -0.226 122.596 122.820 0.002 0.000 2.425 201 A HA 0.600 4.920 4.320 -0.000 0.000 0.242 201 A C 1.084 178.669 177.584 0.003 0.000 1.077 201 A CA 0.389 52.428 52.037 0.002 0.000 0.781 201 A CB -0.097 18.904 19.000 0.002 0.000 1.020 201 A HN 1.931 nan 8.150 nan 0.000 0.494 202 A N 0.398 123.219 122.820 0.002 0.000 2.540 202 A HA 0.472 4.792 4.320 -0.000 0.000 0.239 202 A C 1.604 179.189 177.584 0.002 0.000 1.061 202 A CA 0.773 52.812 52.037 0.002 0.000 0.758 202 A CB -0.850 18.151 19.000 0.002 0.000 0.991 202 A HN 2.776 nan 8.150 nan 0.000 0.502 203 G N 1.370 110.171 108.800 0.003 0.000 2.148 203 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.254 203 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.254 203 G C 0.494 175.396 174.900 0.002 0.000 0.981 203 G CA 1.005 46.106 45.100 0.002 0.000 0.670 203 G HN 2.115 nan 8.290 nan 0.000 0.528 204 S N -0.590 115.112 115.700 0.003 0.000 2.730 204 S HA 0.865 5.335 4.470 -0.000 0.000 0.284 204 S C 0.547 175.149 174.600 0.003 0.000 1.153 204 S CA 0.189 58.391 58.200 0.003 0.000 0.995 204 S CB 2.065 65.267 63.200 0.003 0.000 1.058 204 S HN 1.851 nan 8.310 nan 0.000 0.552 205 A N 1.361 124.183 122.820 0.003 0.000 2.425 205 A HA 0.363 4.683 4.320 -0.000 0.000 0.249 205 A C 0.371 177.958 177.584 0.005 0.000 1.084 205 A CA -0.531 51.508 52.037 0.004 0.000 0.781 205 A CB -0.402 18.600 19.000 0.004 0.000 1.019 205 A HN 0.784 nan 8.150 nan 0.000 0.490 206 N N 1.806 120.509 118.700 0.006 0.000 2.555 206 N HA 0.072 4.812 4.740 -0.000 0.000 0.244 206 N C 0.829 176.344 175.510 0.008 0.000 1.114 206 N CA 0.616 53.670 53.050 0.007 0.000 0.963 206 N CB 0.423 38.914 38.487 0.007 0.000 1.276 206 N HN 0.665 nan 8.380 nan 0.000 0.510 207 T N 0.806 115.365 114.554 0.009 0.000 3.145 207 T HA 0.140 4.490 4.350 -0.000 0.000 0.255 207 T C 0.795 175.503 174.700 0.013 0.000 1.039 207 T CA -0.508 61.598 62.100 0.011 0.000 0.928 207 T CB -0.248 68.625 68.868 0.009 0.000 1.029 207 T HN 0.232 nan 8.240 nan 0.000 0.554 208 L N 2.318 123.549 121.223 0.014 0.000 2.490 208 L HA 0.444 4.784 4.340 -0.000 0.000 0.274 208 L C -0.640 176.243 176.870 0.023 0.000 1.201 208 L CA 0.274 55.123 54.840 0.016 0.000 0.869 208 L CB 0.744 42.811 42.059 0.014 0.000 1.123 208 L HN 0.123 nan 8.230 nan 0.000 0.484 209 V N 6.645 126.573 119.914 0.024 0.000 2.577 209 V HA 0.449 4.569 4.120 -0.000 0.000 0.303 209 V C -0.302 175.809 176.094 0.029 0.000 1.042 209 V CA -0.460 61.861 62.300 0.035 0.000 0.872 209 V CB 1.828 33.671 31.823 0.034 0.000 0.998 209 V HN 0.583 nan 8.190 nan 0.000 0.423 210 I N 4.088 124.682 120.570 0.041 0.000 2.389 210 I HA 0.593 4.763 4.170 -0.000 0.000 0.288 210 I C -0.889 175.229 176.117 0.002 0.000 0.999 210 I CA -0.193 61.119 61.300 0.020 0.000 1.129 210 I CB 1.805 39.818 38.000 0.021 0.000 1.288 210 I HN 0.542 nan 8.210 nan 0.000 0.444 211 D N 4.723 125.104 120.400 -0.032 0.000 2.581 211 D HA 0.427 5.067 4.640 -0.000 0.000 0.232 211 D C -1.012 175.234 176.300 -0.090 0.000 1.143 211 D CA -0.753 53.203 54.000 -0.073 0.000 0.881 211 D CB 2.358 43.134 40.800 -0.041 0.000 1.500 211 D HN 0.423 nan 8.370 nan 0.000 0.458 212 R N 2.668 123.092 120.500 -0.126 0.000 2.358 212 R HA 0.489 4.829 4.340 -0.000 0.000 0.309 212 R C -2.512 173.737 176.300 -0.086 0.000 1.026 212 R CA -1.709 54.330 56.100 -0.101 0.000 0.909 212 R CB 1.215 31.449 30.300 -0.110 0.000 1.153 212 R HN 0.220 nan 8.270 nan 0.000 0.515 213 P HA -0.136 nan 4.420 nan 0.000 0.265 213 P C -0.286 176.991 177.300 -0.039 0.000 1.187 213 P CA -0.148 62.925 63.100 -0.044 0.000 0.766 213 P CB 0.670 32.349 31.700 -0.035 0.000 0.820 214 V N 3.634 123.532 119.914 -0.026 0.000 2.694 214 V HA 0.219 4.339 4.120 -0.000 0.000 0.306 214 V C 1.535 177.624 176.094 -0.009 0.000 1.054 214 V CA 2.084 64.377 62.300 -0.012 0.000 1.161 214 V CB -0.255 31.570 31.823 0.003 0.000 0.916 214 V HN 0.997 nan 8.190 nan 0.000 0.490 215 G N 3.765 112.564 108.800 -0.001 0.000 2.234 215 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 215 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 215 G C 0.400 175.293 174.900 -0.011 0.000 0.987 215 G CA 0.894 45.994 45.100 0.000 0.000 0.625 215 G HN 1.600 nan 8.290 nan 0.000 0.532 216 T N -2.447 112.092 114.554 -0.024 0.000 2.937 216 T HA 0.637 4.986 4.350 -0.000 0.000 0.283 216 T C 0.174 174.841 174.700 -0.055 0.000 1.012 216 T CA 0.016 62.092 62.100 -0.041 0.000 0.997 216 T CB 1.956 70.796 68.868 -0.046 0.000 1.136 216 T HN 0.186 nan 8.240 nan 0.000 0.551 217 N N 0.339 118.988 118.700 -0.086 0.000 2.610 217 N HA 0.292 5.032 4.740 -0.000 0.000 0.309 217 N C -1.137 174.289 175.510 -0.139 0.000 1.536 217 N CA -0.363 52.610 53.050 -0.128 0.000 0.954 217 N CB 0.061 38.422 38.487 -0.210 0.000 1.310 217 N HN 0.681 nan 8.380 nan 0.000 0.502 218 T N 0.851 115.347 114.554 -0.096 0.000 2.829 218 T HA 0.424 4.774 4.350 -0.000 0.000 0.280 218 T C 0.009 174.667 174.700 -0.069 0.000 0.999 218 T CA -0.528 61.522 62.100 -0.083 0.000 0.983 218 T CB 1.398 70.227 68.868 -0.066 0.000 0.968 218 T HN -0.019 nan 8.240 nan 0.000 0.446 219 I N 3.060 123.593 120.570 -0.061 0.000 2.304 219 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 219 I C 0.445 176.539 176.117 -0.040 0.000 1.018 219 I CA -0.712 60.558 61.300 -0.049 0.000 1.260 219 I CB 0.465 38.441 38.000 -0.040 0.000 1.390 219 I HN 0.699 nan 8.210 nan 0.000 0.475 220 A N 7.382 130.180 122.820 -0.038 0.000 2.271 220 A HA 0.678 4.998 4.320 -0.000 0.000 0.317 220 A C -0.496 177.077 177.584 -0.019 0.000 1.245 220 A CA -0.474 51.546 52.037 -0.027 0.000 0.857 220 A CB 0.960 19.944 19.000 -0.028 0.000 1.175 220 A HN 0.426 nan 8.150 nan 0.000 0.512 221 V N 3.452 123.359 119.914 -0.013 0.000 2.334 221 V HA 0.614 4.734 4.120 -0.000 0.000 0.281 221 V C 0.422 176.514 176.094 -0.002 0.000 1.016 221 V CA -0.047 62.250 62.300 -0.005 0.000 0.832 221 V CB 0.988 32.808 31.823 -0.004 0.000 0.999 221 V HN 1.086 nan 8.190 nan 0.000 0.439 222 T N 1.193 115.749 114.554 0.002 0.000 2.926 222 T HA 0.960 5.310 4.350 -0.000 0.000 0.289 222 T C 0.228 174.933 174.700 0.007 0.000 1.054 222 T CA -0.025 62.077 62.100 0.003 0.000 1.015 222 T CB 1.965 70.835 68.868 0.003 0.000 1.167 222 T HN 1.854 nan 8.240 nan 0.000 0.526 223 G N 0.361 109.165 108.800 0.006 0.000 2.627 223 G HA2 0.203 4.163 3.960 -0.000 0.000 0.214 223 G HA3 0.203 4.163 3.960 -0.000 0.000 0.214 223 G C -0.360 174.544 174.900 0.006 0.000 1.331 223 G CA -0.197 44.908 45.100 0.007 0.000 0.891 223 G HN 1.551 nan 8.290 nan 0.000 0.539 224 S N -1.156 114.548 115.700 0.007 0.000 2.500 224 S HA 0.695 5.165 4.470 -0.000 0.000 0.301 224 S C -0.973 173.631 174.600 0.006 0.000 1.092 224 S CA -0.409 57.794 58.200 0.006 0.000 1.030 224 S CB 1.374 64.577 63.200 0.005 0.000 1.031 224 S HN 1.586 nan 8.310 nan 0.000 0.483 225 L N 6.779 128.005 121.223 0.006 0.000 2.343 225 L HA 0.684 5.024 4.340 -0.000 0.000 0.278 225 L C -2.608 174.265 176.870 0.005 0.000 0.996 225 L CA -1.848 52.995 54.840 0.006 0.000 0.831 225 L CB 1.814 43.877 42.059 0.006 0.000 1.232 225 L HN 0.416 nan 8.230 nan 0.000 0.413 226 P HA 0.246 nan 4.420 nan 0.000 0.279 226 P C 0.078 177.380 177.300 0.004 0.000 1.239 226 P CA -0.408 62.694 63.100 0.004 0.000 0.789 226 P CB 1.236 32.938 31.700 0.004 0.000 0.933 227 A N 3.087 125.909 122.820 0.004 0.000 2.032 227 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 227 A C 1.311 178.897 177.584 0.004 0.000 1.165 227 A CA 2.128 54.167 52.037 0.003 0.000 0.645 227 A CB -1.195 17.807 19.000 0.003 0.000 0.807 227 A HN 0.642 nan 8.150 nan 0.000 0.453 228 D N -0.747 119.655 120.400 0.004 0.000 2.349 228 D HA 0.413 5.052 4.640 -0.000 0.000 0.214 228 D C 0.579 176.881 176.300 0.004 0.000 1.063 228 D CA 0.429 54.431 54.000 0.004 0.000 0.847 228 D CB -0.510 40.292 40.800 0.003 0.000 0.933 228 D HN 0.375 nan 8.370 nan 0.000 0.513 229 A N 0.462 123.285 122.820 0.004 0.000 2.351 229 A HA 0.627 4.947 4.320 -0.000 0.000 0.257 229 A C 0.630 178.218 177.584 0.005 0.000 1.087 229 A CA -0.195 51.845 52.037 0.005 0.000 0.798 229 A CB 0.385 19.389 19.000 0.005 0.000 1.033 229 A HN 0.337 nan 8.150 nan 0.000 0.488 230 A N 2.649 125.472 122.820 0.006 0.000 2.425 230 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 230 A C -2.037 175.551 177.584 0.007 0.000 1.077 230 A CA -0.986 51.055 52.037 0.006 0.000 0.781 230 A CB -0.854 18.150 19.000 0.006 0.000 1.020 230 A HN 0.683 nan 8.150 nan 0.000 0.494 231 P HA 0.197 nan 4.420 nan 0.000 0.267 231 P C -0.690 176.616 177.300 0.009 0.000 1.201 231 P CA -0.093 63.012 63.100 0.009 0.000 0.775 231 P CB 0.323 32.029 31.700 0.009 0.000 0.854 232 V N 2.470 122.390 119.914 0.010 0.000 2.481 232 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 232 V C 0.225 176.326 176.094 0.011 0.000 1.042 232 V CA 0.102 62.409 62.300 0.011 0.000 0.928 232 V CB 1.521 33.351 31.823 0.012 0.000 0.986 232 V HN 0.551 nan 8.190 nan 0.000 0.462 233 T N 3.946 118.507 114.554 0.011 0.000 2.965 233 T HA 0.717 5.067 4.350 -0.000 0.000 0.306 233 T C -0.452 174.252 174.700 0.007 0.000 0.991 233 T CA -0.309 61.796 62.100 0.009 0.000 1.001 233 T CB 1.383 70.260 68.868 0.014 0.000 0.984 233 T HN 0.950 nan 8.240 nan 0.000 0.446 234 A N 3.600 126.420 122.820 -0.000 0.000 2.422 234 A HA 0.801 5.121 4.320 -0.000 0.000 0.302 234 A C -0.716 176.853 177.584 -0.024 0.000 1.041 234 A CA -0.780 51.259 52.037 0.004 0.000 0.708 234 A CB 0.985 20.002 19.000 0.028 0.000 1.257 234 A HN 0.825 nan 8.150 nan 0.000 0.414 235 L N 3.224 124.428 121.223 -0.031 0.000 2.313 235 L HA 0.447 4.787 4.340 -0.000 0.000 0.282 235 L C 0.330 177.187 176.870 -0.022 0.000 1.092 235 L CA -0.349 54.451 54.840 -0.066 0.000 0.831 235 L CB 0.298 42.313 42.059 -0.074 0.000 1.159 235 L HN 0.620 nan 8.230 nan 0.000 0.442 236 R N 1.163 121.637 120.500 -0.043 0.000 2.854 236 R HA 0.526 4.866 4.340 -0.000 0.000 0.271 236 R C -0.236 176.035 176.300 -0.048 0.000 0.996 236 R CA -0.687 55.383 56.100 -0.051 0.000 0.961 236 R CB 2.174 32.439 30.300 -0.058 0.000 1.182 236 R HN 0.674 nan 8.270 nan 0.000 0.479 237 T N -2.107 112.407 114.554 -0.065 0.000 2.902 237 T HA 0.551 4.901 4.350 -0.000 0.000 0.280 237 T C 0.586 175.285 174.700 -0.001 0.000 0.992 237 T CA -0.678 61.406 62.100 -0.026 0.000 1.015 237 T CB 1.168 70.015 68.868 -0.035 0.000 1.044 237 T HN 0.373 nan 8.240 nan 0.000 0.520 238 V N -1.153 118.790 119.914 0.049 0.000 3.019 238 V HA 0.657 4.777 4.120 -0.000 0.000 0.317 238 V C -0.511 175.643 176.094 0.100 0.000 1.094 238 V CA -1.183 61.172 62.300 0.092 0.000 1.000 238 V CB 1.597 33.546 31.823 0.210 0.000 1.060 238 V HN 0.941 nan 8.190 nan 0.000 0.443 239 D N 1.739 122.197 120.400 0.096 0.000 2.345 239 D HA 0.235 4.875 4.640 -0.000 0.000 0.247 239 D C -0.027 176.382 176.300 0.182 0.000 1.108 239 D CA 0.784 54.844 54.000 0.101 0.000 0.894 239 D CB 0.351 41.178 40.800 0.044 0.000 1.203 239 D HN 0.804 nan 8.370 nan 0.000 0.430 240 E N 2.176 122.463 120.200 0.146 0.000 2.560 240 E HA -0.158 4.192 4.350 -0.000 0.000 0.158 240 E C -1.913 174.761 176.600 0.123 0.000 1.709 240 E CA 0.045 56.531 56.400 0.144 0.000 0.653 240 E CB -0.859 28.939 29.700 0.163 0.000 1.090 240 E HN 0.487 nan 8.360 nan 0.000 0.355 241 P HA -0.212 nan 4.420 nan 0.000 0.216 241 P C 1.373 178.679 177.300 0.010 0.000 1.153 241 P CA 2.236 65.371 63.100 0.057 0.000 0.858 241 P CB 0.156 31.901 31.700 0.074 0.000 0.789 242 A N -0.298 122.534 122.820 0.020 0.000 1.969 242 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 242 A C 2.268 179.839 177.584 -0.022 0.000 1.169 242 A CA 1.820 53.857 52.037 -0.001 0.000 0.635 242 A CB -1.439 17.572 19.000 0.017 0.000 0.810 242 A HN 0.211 nan 8.150 nan 0.000 0.445 243 A N -0.731 122.076 122.820 -0.021 0.000 2.014 243 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 243 A C 2.041 179.422 177.584 -0.338 0.000 1.163 243 A CA 1.377 53.376 52.037 -0.063 0.000 0.652 243 A CB -0.434 18.618 19.000 0.087 0.000 0.808 243 A HN 0.591 nan 8.150 nan 0.000 0.449 244 L N -0.256 120.681 121.223 -0.477 0.000 2.056 244 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 244 L C 2.646 179.408 176.870 -0.180 0.000 1.078 244 L CA 2.025 56.528 54.840 -0.562 0.000 0.749 244 L CB -0.647 41.202 42.059 -0.349 0.000 0.901 244 L HN 0.308 nan 8.230 nan 0.000 0.433 245 A N -0.394 122.369 122.820 -0.094 0.000 1.948 245 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 245 A C 2.315 179.909 177.584 0.017 0.000 1.177 245 A CA 1.751 53.772 52.037 -0.026 0.000 0.636 245 A CB -1.627 17.352 19.000 -0.035 0.000 0.815 245 A HN 0.551 nan 8.150 nan 0.000 0.449 246 G N -1.504 107.297 108.800 0.003 0.000 2.402 246 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 246 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 246 G C 1.473 176.417 174.900 0.072 0.000 1.162 246 G CA 1.351 46.487 45.100 0.059 0.000 0.777 246 G HN 0.769 nan 8.290 nan 0.000 0.539 247 H N 0.521 119.537 119.070 -0.091 0.000 2.353 247 H HA 0.096 4.652 4.556 -0.000 0.000 0.300 247 H C 2.420 177.728 175.328 -0.033 0.000 1.090 247 H CA 1.363 57.362 56.048 -0.081 0.000 1.327 247 H CB -0.253 29.392 29.762 -0.195 0.000 1.383 247 H HN 0.261 nan 8.280 nan 0.000 0.508 248 L N -1.110 120.053 121.223 -0.099 0.000 2.156 248 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 248 L C 2.066 178.924 176.870 -0.020 0.000 1.095 248 L CA 0.929 55.712 54.840 -0.095 0.000 0.770 248 L CB -0.411 41.652 42.059 0.007 0.000 0.914 248 L HN 0.285 nan 8.230 nan 0.000 0.439 249 F N 0.943 120.831 119.950 -0.104 0.000 2.259 249 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 249 F C 2.510 178.260 175.800 -0.084 0.000 1.088 249 F CA 1.387 59.341 58.000 -0.077 0.000 1.358 249 F CB -0.080 38.889 39.000 -0.052 0.000 1.040 249 F HN 0.078 nan 8.300 nan 0.000 0.505 250 E N 0.259 120.381 120.200 -0.130 0.000 2.051 250 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 250 E C 2.047 178.505 176.600 -0.237 0.000 0.991 250 E CA 1.607 57.886 56.400 -0.202 0.000 0.799 250 E CB -0.219 29.415 29.700 -0.111 0.000 0.748 250 E HN 0.547 nan 8.360 nan 0.000 0.449 251 E N -0.054 120.005 120.200 -0.234 0.000 2.085 251 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 251 E C 1.996 178.484 176.600 -0.186 0.000 0.994 251 E CA 1.017 57.293 56.400 -0.206 0.000 0.801 251 E CB -0.125 29.441 29.700 -0.225 0.000 0.743 251 E HN 0.350 nan 8.360 nan 0.000 0.453 252 A N 0.973 123.664 122.820 -0.215 0.000 1.929 252 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 252 A C 2.176 179.595 177.584 -0.275 0.000 1.176 252 A CA 0.703 52.616 52.037 -0.206 0.000 0.628 252 A CB -0.481 18.424 19.000 -0.157 0.000 0.816 252 A HN 0.112 nan 8.150 nan 0.000 0.444 253 L N -0.450 120.516 121.223 -0.428 0.000 2.042 253 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 253 L C 2.639 179.383 176.870 -0.210 0.000 1.076 253 L CA 1.403 56.019 54.840 -0.374 0.000 0.749 253 L CB -0.518 41.269 42.059 -0.453 0.000 0.893 253 L HN 0.384 nan 8.230 nan 0.000 0.432 254 E N -0.231 119.861 120.200 -0.180 0.000 2.110 254 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 254 E C 2.260 178.803 176.600 -0.095 0.000 0.988 254 E CA 1.315 57.644 56.400 -0.119 0.000 0.804 254 E CB -0.061 29.576 29.700 -0.105 0.000 0.745 254 E HN 0.400 nan 8.360 nan 0.000 0.458 255 S N 1.015 116.655 115.700 -0.100 0.000 2.522 255 S HA 0.044 4.513 4.470 -0.000 0.000 0.227 255 S C 1.222 175.782 174.600 -0.067 0.000 0.986 255 S CA 0.116 58.272 58.200 -0.074 0.000 0.929 255 S CB 0.046 63.205 63.200 -0.069 0.000 0.769 255 S HN 0.224 nan 8.310 nan 0.000 0.529 256 N N 0.722 119.373 118.700 -0.082 0.000 2.235 256 N HA 0.165 4.904 4.740 -0.000 0.000 0.209 256 N C 0.847 176.321 175.510 -0.060 0.000 1.122 256 N CA 0.468 53.478 53.050 -0.067 0.000 0.845 256 N CB 0.964 39.406 38.487 -0.074 0.000 1.004 256 N HN 0.465 nan 8.380 nan 0.000 0.499 257 G N 0.619 109.383 108.800 -0.061 0.000 2.137 257 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 257 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 257 G C -0.185 174.683 174.900 -0.053 0.000 1.002 257 G CA -0.063 45.007 45.100 -0.050 0.000 0.702 257 G HN 0.160 nan 8.290 nan 0.000 0.515 258 V N 1.093 120.963 119.914 -0.073 0.000 2.384 258 V HA 0.597 4.717 4.120 -0.000 0.000 0.287 258 V C 0.559 176.606 176.094 -0.079 0.000 1.020 258 V CA -0.250 62.006 62.300 -0.073 0.000 0.850 258 V CB 1.739 33.508 31.823 -0.090 0.000 0.987 258 V HN 0.282 nan 8.190 nan 0.000 0.436 259 T N 4.802 119.322 114.554 -0.057 0.000 2.743 259 T HA 0.422 4.772 4.350 -0.000 0.000 0.293 259 T C -0.046 174.624 174.700 -0.050 0.000 0.945 259 T CA -0.229 61.839 62.100 -0.053 0.000 1.030 259 T CB 1.232 70.078 68.868 -0.037 0.000 0.912 259 T HN 0.361 nan 8.240 nan 0.000 0.483 260 V N 5.369 125.247 119.914 -0.060 0.000 2.432 260 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 260 V C 1.120 177.190 176.094 -0.039 0.000 1.043 260 V CA -0.435 61.834 62.300 -0.051 0.000 0.925 260 V CB 1.318 33.102 31.823 -0.066 0.000 0.985 260 V HN 0.792 nan 8.190 nan 0.000 0.466 261 K N 3.088 123.471 120.400 -0.029 0.000 2.244 261 K HA 0.221 4.541 4.320 -0.000 0.000 0.200 261 K C 1.206 177.791 176.600 -0.024 0.000 1.052 261 K CA 0.756 57.030 56.287 -0.022 0.000 0.980 261 K CB 0.401 32.894 32.500 -0.012 0.000 0.838 261 K HN 0.757 nan 8.250 nan 0.000 0.481 262 G N 1.260 110.040 108.800 -0.033 0.000 2.666 262 G HA2 0.091 4.051 3.960 -0.000 0.000 0.207 262 G HA3 0.091 4.051 3.960 -0.000 0.000 0.207 262 G C -0.390 174.471 174.900 -0.064 0.000 1.481 262 G CA -0.310 44.763 45.100 -0.045 0.000 1.071 262 G HN -0.009 nan 8.290 nan 0.000 0.572 263 D N -0.949 119.391 120.400 -0.100 0.000 2.272 263 D HA 0.445 5.085 4.640 -0.000 0.000 0.247 263 D C -0.547 175.650 176.300 -0.172 0.000 0.990 263 D CA -0.181 53.757 54.000 -0.104 0.000 0.931 263 D CB 2.416 43.164 40.800 -0.087 0.000 1.195 263 D HN 0.007 nan 8.370 nan 0.000 0.477 264 V N 0.899 120.747 119.914 -0.110 0.000 2.407 264 V HA 0.698 4.818 4.120 -0.000 0.000 0.278 264 V C 0.792 176.826 176.094 -0.101 0.000 1.037 264 V CA -0.188 62.041 62.300 -0.118 0.000 0.900 264 V CB 1.167 32.981 31.823 -0.015 0.000 0.983 264 V HN 0.730 nan 8.190 nan 0.000 0.459 265 G N 3.731 112.433 108.800 -0.164 0.000 2.782 265 G HA2 0.654 4.613 3.960 -0.000 0.000 0.304 265 G HA3 0.654 4.613 3.960 -0.000 0.000 0.304 265 G C -1.499 173.435 174.900 0.056 0.000 1.315 265 G CA -0.949 44.125 45.100 -0.043 0.000 0.791 265 G HN 0.530 nan 8.290 nan 0.000 0.519 266 L N 0.452 121.760 121.223 0.143 0.000 2.307 266 L HA 0.746 5.086 4.340 -0.000 0.000 0.282 266 L C 0.590 177.642 176.870 0.302 0.000 1.051 266 L CA -0.390 54.565 54.840 0.191 0.000 0.804 266 L CB 1.284 43.419 42.059 0.127 0.000 1.197 266 L HN 0.901 nan 8.230 nan 0.000 0.431 267 G N 1.112 110.082 108.800 0.284 0.000 2.556 267 G HA2 0.506 4.466 3.960 -0.000 0.000 0.294 267 G HA3 0.506 4.466 3.960 -0.000 0.000 0.294 267 G C -1.310 173.671 174.900 0.134 0.000 1.516 267 G CA -0.401 44.787 45.100 0.146 0.000 0.824 267 G HN 0.759 nan 8.290 nan 0.000 0.535 268 G N -0.717 108.061 108.800 -0.037 0.000 2.400 268 G HA2 0.596 4.555 3.960 -0.000 0.000 0.333 268 G HA3 0.596 4.555 3.960 -0.000 0.000 0.333 268 G C 0.007 174.582 174.900 -0.542 0.000 1.143 268 G CA -0.550 44.450 45.100 -0.168 0.000 0.914 268 G HN 1.083 nan 8.290 nan 0.000 0.480 269 V N 3.518 122.943 119.914 -0.814 0.000 2.475 269 V HA -0.008 4.112 4.120 -0.000 0.000 0.292 269 V C -0.728 174.829 176.094 -0.895 0.000 1.003 269 V CA -0.397 61.149 62.300 -1.256 0.000 1.120 269 V CB 1.036 32.356 31.823 -0.839 0.000 0.937 269 V HN 0.667 nan 8.190 nan 0.000 0.476 270 P HA -0.275 nan 4.420 nan 0.000 0.218 270 P C 1.246 178.304 177.300 -0.403 0.000 1.150 270 P CA 1.962 64.619 63.100 -0.739 0.000 0.841 270 P CB 0.078 31.175 31.700 -1.006 0.000 0.784 271 A N -0.731 121.889 122.820 -0.333 0.000 3.746 271 A HA -0.296 4.024 4.320 -0.000 0.000 0.242 271 A C 1.587 179.160 177.584 -0.017 0.000 0.736 271 A CA 1.767 53.729 52.037 -0.125 0.000 1.370 271 A CB -2.590 16.344 19.000 -0.111 0.000 1.130 271 A HN 0.460 nan 8.150 nan 0.000 0.696 272 D N -1.247 119.154 120.400 0.001 0.000 2.363 272 D HA 0.036 4.676 4.640 -0.000 0.000 0.226 272 D C 0.232 176.681 176.300 0.247 0.000 1.020 272 D CA 0.264 54.322 54.000 0.097 0.000 0.892 272 D CB -0.480 40.369 40.800 0.080 0.000 0.900 272 D HN 0.590 nan 8.370 nan 0.000 0.531 273 W N 2.529 123.802 121.300 -0.046 0.000 2.368 273 W HA 0.238 4.898 4.660 -0.000 0.000 0.316 273 W C 1.668 178.165 176.519 -0.037 0.000 1.375 273 W CA -0.761 56.559 57.345 -0.042 0.000 1.261 273 W CB 0.483 29.904 29.460 -0.065 0.000 1.298 273 W HN 0.153 nan 8.180 nan 0.000 0.539 274 Q N 0.412 120.300 119.800 0.147 0.000 2.387 274 Q HA 0.036 4.375 4.340 -0.000 0.000 0.208 274 Q C 0.000 176.030 176.000 0.050 0.000 0.935 274 Q CA 0.386 56.236 55.803 0.079 0.000 0.891 274 Q CB 0.261 29.027 28.738 0.047 0.000 1.007 274 Q HN 0.198 nan 8.270 nan 0.000 0.548 275 D N 1.330 121.740 120.400 0.016 0.000 2.736 275 D HA 0.423 5.063 4.640 -0.000 0.000 0.293 275 D C -1.065 175.222 176.300 -0.022 0.000 1.241 275 D CA -0.376 53.622 54.000 -0.003 0.000 0.965 275 D CB 0.596 41.384 40.800 -0.020 0.000 0.992 275 D HN 0.377 nan 8.370 nan 0.000 0.510 276 A N 1.595 124.430 122.820 0.025 0.000 2.445 276 A HA 0.329 4.649 4.320 -0.000 0.000 0.242 276 A C 0.423 178.015 177.584 0.013 0.000 1.075 276 A CA -0.244 51.814 52.037 0.034 0.000 0.777 276 A CB 0.467 19.577 19.000 0.183 0.000 1.013 276 A HN 0.358 nan 8.150 nan 0.000 0.493 277 E N 1.548 121.745 120.200 -0.004 0.000 2.115 277 E HA 0.428 4.778 4.350 -0.000 0.000 0.282 277 E C -1.022 175.602 176.600 0.040 0.000 0.987 277 E CA -0.189 56.213 56.400 0.004 0.000 0.797 277 E CB 0.945 30.633 29.700 -0.021 0.000 1.086 277 E HN 0.305 nan 8.360 nan 0.000 0.397 278 V N 7.484 127.416 119.914 0.031 0.000 2.408 278 V HA 0.084 4.204 4.120 -0.000 0.000 0.267 278 V C 1.040 177.155 176.094 0.035 0.000 1.047 278 V CA 0.097 62.418 62.300 0.035 0.000 0.937 278 V CB 0.743 32.575 31.823 0.015 0.000 0.999 278 V HN 0.813 nan 8.190 nan 0.000 0.472 279 L N 4.184 125.438 121.223 0.052 0.000 2.408 279 L HA 0.540 4.880 4.340 -0.000 0.000 0.215 279 L C 0.863 177.766 176.870 0.056 0.000 1.081 279 L CA 0.629 55.502 54.840 0.056 0.000 0.840 279 L CB 0.170 42.276 42.059 0.078 0.000 1.002 279 L HN 0.713 nan 8.230 nan 0.000 0.468 280 A N 0.291 123.145 122.820 0.056 0.000 2.589 280 A HA 0.588 4.908 4.320 -0.000 0.000 0.296 280 A C -1.930 175.672 177.584 0.029 0.000 1.062 280 A CA -0.592 51.477 52.037 0.053 0.000 0.686 280 A CB 1.460 20.512 19.000 0.088 0.000 1.282 280 A HN 0.129 nan 8.150 nan 0.000 0.404 281 D N -0.270 120.147 120.400 0.029 0.000 2.570 281 D HA 0.687 5.327 4.640 -0.000 0.000 0.244 281 D C -0.840 175.506 176.300 0.078 0.000 1.178 281 D CA -0.321 53.690 54.000 0.019 0.000 0.881 281 D CB 1.135 41.924 40.800 -0.019 0.000 1.453 281 D HN 0.652 nan 8.370 nan 0.000 0.447 282 H N -1.528 117.508 119.070 -0.058 0.000 2.851 282 H HA 0.706 5.262 4.556 -0.000 0.000 0.372 282 H C -1.454 173.837 175.328 -0.063 0.000 1.158 282 H CA -0.335 55.683 56.048 -0.049 0.000 1.159 282 H CB 2.193 31.928 29.762 -0.044 0.000 1.757 282 H HN 0.356 nan 8.280 nan 0.000 0.546 283 T N 3.188 117.293 114.554 -0.748 0.000 2.841 283 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 283 T C -0.266 174.026 174.700 -0.679 0.000 0.991 283 T CA -0.674 61.089 62.100 -0.562 0.000 0.966 283 T CB 1.004 69.700 68.868 -0.287 0.000 0.962 283 T HN 0.732 nan 8.240 nan 0.000 0.438 284 S N 2.391 117.847 115.700 -0.407 0.000 2.661 284 S HA 0.764 5.233 4.470 -0.000 0.000 0.265 284 S C 0.767 175.298 174.600 -0.115 0.000 1.225 284 S CA -0.738 57.341 58.200 -0.202 0.000 0.986 284 S CB 0.491 63.666 63.200 -0.042 0.000 1.008 284 S HN 0.968 nan 8.310 nan 0.000 0.565 285 A N 0.388 123.183 122.820 -0.043 0.000 2.366 285 A HA 0.340 4.659 4.320 -0.000 0.000 0.250 285 A C 0.448 178.025 177.584 -0.010 0.000 1.099 285 A CA -0.388 51.642 52.037 -0.011 0.000 0.794 285 A CB -0.440 18.578 19.000 0.031 0.000 1.056 285 A HN 0.890 nan 8.150 nan 0.000 0.499 286 E N -0.812 119.386 120.200 -0.002 0.000 2.349 286 E HA 0.187 4.537 4.350 -0.000 0.000 0.262 286 E C 0.741 177.372 176.600 0.052 0.000 1.088 286 E CA -0.609 55.785 56.400 -0.010 0.000 0.899 286 E CB 0.687 30.381 29.700 -0.010 0.000 1.044 286 E HN 0.555 nan 8.360 nan 0.000 0.420 287 L N 2.524 123.785 121.223 0.064 0.000 2.189 287 L HA -0.228 4.111 4.340 -0.000 0.000 0.214 287 L C 2.115 179.056 176.870 0.117 0.000 1.097 287 L CA 2.157 57.072 54.840 0.126 0.000 0.764 287 L CB -0.594 41.538 42.059 0.121 0.000 0.900 287 L HN 0.626 nan 8.230 nan 0.000 0.436 288 S N -1.590 114.170 115.700 0.099 0.000 2.402 288 S HA -0.112 4.357 4.470 -0.000 0.000 0.229 288 S C 1.696 176.375 174.600 0.131 0.000 1.021 288 S CA 0.902 59.172 58.200 0.116 0.000 0.974 288 S CB -0.458 62.806 63.200 0.107 0.000 0.800 288 S HN 0.575 nan 8.310 nan 0.000 0.484 289 E N 1.635 121.908 120.200 0.122 0.000 2.086 289 E HA 0.150 4.500 4.350 -0.000 0.000 0.190 289 E C 2.138 178.847 176.600 0.182 0.000 0.975 289 E CA 0.665 57.150 56.400 0.141 0.000 0.813 289 E CB -0.550 29.221 29.700 0.118 0.000 0.768 289 E HN 0.593 nan 8.360 nan 0.000 0.457 290 I N 1.410 122.074 120.570 0.156 0.000 2.454 290 I HA -0.208 3.962 4.170 -0.000 0.000 0.254 290 I C 2.384 178.654 176.117 0.255 0.000 1.156 290 I CA 0.607 62.001 61.300 0.158 0.000 1.433 290 I CB -0.219 37.809 38.000 0.047 0.000 1.082 290 I HN 0.020 nan 8.210 nan 0.000 0.432 291 L N -0.078 121.298 121.223 0.254 0.000 2.127 291 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 291 L C 2.531 179.564 176.870 0.272 0.000 1.089 291 L CA 1.107 56.145 54.840 0.331 0.000 0.757 291 L CB -0.468 41.733 42.059 0.237 0.000 0.899 291 L HN 0.153 nan 8.230 nan 0.000 0.434 292 V N 0.735 120.787 119.914 0.229 0.000 2.229 292 V HA -0.153 3.967 4.120 -0.000 0.000 0.243 292 V C -0.216 175.967 176.094 0.150 0.000 1.042 292 V CA 2.022 64.419 62.300 0.162 0.000 1.000 292 V CB -1.774 30.175 31.823 0.210 0.000 0.637 292 V HN 0.350 nan 8.190 nan 0.000 0.446 293 P HA -0.206 nan 4.420 nan 0.000 0.221 293 P C 1.646 179.193 177.300 0.411 0.000 1.145 293 P CA 1.687 65.032 63.100 0.410 0.000 0.795 293 P CB -0.137 31.971 31.700 0.679 0.000 0.775 294 F N 0.174 120.287 119.950 0.272 0.000 2.118 294 F HA -0.054 4.473 4.527 -0.000 0.000 0.293 294 F C 2.129 177.982 175.800 0.088 0.000 1.102 294 F CA 1.054 59.216 58.000 0.271 0.000 1.247 294 F CB -0.199 39.016 39.000 0.357 0.000 1.017 294 F HN -0.315 nan 8.300 nan 0.000 0.475 295 M N 0.309 119.714 119.600 -0.325 0.000 2.435 295 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 295 M C 1.783 177.863 176.300 -0.367 0.000 1.104 295 M CA 0.901 55.904 55.300 -0.495 0.000 1.140 295 M CB -0.791 31.551 32.600 -0.431 0.000 1.372 295 M HN 0.079 nan 8.290 nan 0.000 0.456 296 K N -0.021 120.146 120.400 -0.387 0.000 2.097 296 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 296 K C 1.479 177.702 176.600 -0.628 0.000 1.050 296 K CA 1.329 57.257 56.287 -0.600 0.000 0.938 296 K CB -0.127 31.814 32.500 -0.931 0.000 0.718 296 K HN 0.283 nan 8.250 nan 0.000 0.442 297 F N -0.075 119.777 119.950 -0.163 0.000 2.724 297 F HA 0.243 4.769 4.527 -0.000 0.000 0.306 297 F C 0.424 176.153 175.800 -0.119 0.000 1.100 297 F CA -0.609 57.304 58.000 -0.145 0.000 1.255 297 F CB 0.207 39.116 39.000 -0.151 0.000 1.072 297 F HN -0.280 nan 8.300 nan 0.000 0.589 298 S N 1.402 117.098 115.700 -0.007 0.000 3.734 298 S HA -0.275 4.195 4.470 -0.000 0.000 0.531 298 S C -0.144 174.491 174.600 0.058 0.000 0.757 298 S CA -0.036 58.133 58.200 -0.052 0.000 1.388 298 S CB -1.666 61.493 63.200 -0.068 0.000 0.878 298 S HN 0.564 nan 8.310 nan 0.000 0.735 299 N N 2.069 120.863 118.700 0.158 0.000 2.437 299 N HA 0.386 5.126 4.740 -0.000 0.000 0.243 299 N C 1.086 176.755 175.510 0.264 0.000 1.041 299 N CA -0.695 52.439 53.050 0.139 0.000 0.940 299 N CB 0.435 38.830 38.487 -0.153 0.000 1.133 299 N HN 0.374 nan 8.380 nan 0.000 0.506 300 N N 2.315 121.122 118.700 0.179 0.000 2.084 300 N HA -0.089 4.651 4.740 -0.000 0.000 0.190 300 N C 1.766 177.432 175.510 0.260 0.000 1.030 300 N CA 1.234 54.407 53.050 0.204 0.000 0.849 300 N CB -0.371 38.181 38.487 0.109 0.000 1.012 300 N HN 0.690 nan 8.380 nan 0.000 0.423 301 G N 0.099 109.034 108.800 0.225 0.000 2.422 301 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 301 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 301 G C 1.244 176.301 174.900 0.261 0.000 1.146 301 G CA 0.815 46.067 45.100 0.253 0.000 0.769 301 G HN 0.339 nan 8.290 nan 0.000 0.547 302 H N 1.124 120.243 119.070 0.081 0.000 2.319 302 H HA -0.048 4.508 4.556 -0.000 0.000 0.297 302 H C 2.876 178.051 175.328 -0.254 0.000 1.097 302 H CA 1.330 57.296 56.048 -0.137 0.000 1.285 302 H CB -0.671 28.964 29.762 -0.212 0.000 1.368 302 H HN 0.367 nan 8.280 nan 0.000 0.495 303 A N 1.042 123.916 122.820 0.090 0.000 1.902 303 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 303 A C 2.255 179.939 177.584 0.166 0.000 1.181 303 A CA 1.695 53.824 52.037 0.152 0.000 0.623 303 A CB -0.127 19.139 19.000 0.443 0.000 0.818 303 A HN 0.327 nan 8.150 nan 0.000 0.443 304 E N -0.222 120.126 120.200 0.247 0.000 2.106 304 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 304 E C 2.050 178.638 176.600 -0.021 0.000 0.984 304 E CA 1.118 57.676 56.400 0.262 0.000 0.806 304 E CB -0.518 29.477 29.700 0.493 0.000 0.750 304 E HN 0.718 nan 8.360 nan 0.000 0.458 305 M N 0.243 119.846 119.600 0.004 0.000 2.086 305 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 305 M C 2.407 178.663 176.300 -0.073 0.000 1.067 305 M CA 1.249 56.544 55.300 -0.008 0.000 1.116 305 M CB -0.328 32.303 32.600 0.051 0.000 1.348 305 M HN 0.059 nan 8.290 nan 0.000 0.407 306 L N -0.675 120.493 121.223 -0.091 0.000 2.083 306 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 306 L C 2.412 179.249 176.870 -0.055 0.000 1.083 306 L CA 0.864 55.668 54.840 -0.061 0.000 0.752 306 L CB -0.664 41.334 42.059 -0.102 0.000 0.899 306 L HN 0.147 nan 8.230 nan 0.000 0.433 307 V N 0.077 119.953 119.914 -0.063 0.000 2.295 307 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 307 V C 2.391 178.348 176.094 -0.229 0.000 1.049 307 V CA 1.829 64.090 62.300 -0.066 0.000 1.024 307 V CB -0.449 31.413 31.823 0.065 0.000 0.648 307 V HN 0.444 nan 8.190 nan 0.000 0.447 308 K N -0.414 119.689 120.400 -0.494 0.000 2.288 308 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 308 K C 2.376 178.618 176.600 -0.597 0.000 1.048 308 K CA 1.229 57.026 56.287 -0.816 0.000 0.956 308 K CB -0.188 31.357 32.500 -1.591 0.000 0.746 308 K HN 0.324 nan 8.250 nan 0.000 0.461 309 S N 1.371 116.930 115.700 -0.234 0.000 2.368 309 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 309 S C 1.902 176.510 174.600 0.013 0.000 1.029 309 S CA 0.846 59.124 58.200 0.131 0.000 0.988 309 S CB -0.110 63.283 63.200 0.323 0.000 0.838 309 S HN 0.194 nan 8.310 nan 0.000 0.462 310 I N 1.362 121.903 120.570 -0.049 0.000 2.264 310 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 310 I C 2.576 178.643 176.117 -0.084 0.000 1.111 310 I CA 1.171 62.436 61.300 -0.058 0.000 1.382 310 I CB -0.673 37.303 38.000 -0.041 0.000 1.060 310 I HN 0.361 nan 8.210 nan 0.000 0.418 311 G N -0.372 108.346 108.800 -0.136 0.000 2.448 311 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 311 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 311 G C 1.633 176.432 174.900 -0.169 0.000 1.127 311 G CA 0.291 45.298 45.100 -0.154 0.000 0.766 311 G HN 0.298 nan 8.290 nan 0.000 0.552 312 Q N -0.214 119.470 119.800 -0.192 0.000 2.137 312 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 312 Q C 2.408 178.332 176.000 -0.127 0.000 0.960 312 Q CA 1.320 56.971 55.803 -0.252 0.000 0.847 312 Q CB 0.008 28.482 28.738 -0.440 0.000 0.915 312 Q HN 0.596 nan 8.270 nan 0.000 0.448 313 E N 0.212 120.379 120.200 -0.055 0.000 2.046 313 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 313 E C 1.723 178.305 176.600 -0.031 0.000 0.982 313 E CA 1.892 58.281 56.400 -0.019 0.000 0.800 313 E CB -0.047 29.639 29.700 -0.024 0.000 0.756 313 E HN 0.338 nan 8.360 nan 0.000 0.449 314 T N -2.999 111.529 114.554 -0.044 0.000 3.113 314 T HA 0.350 4.700 4.350 -0.000 0.000 0.256 314 T C 1.126 175.800 174.700 -0.043 0.000 1.131 314 T CA 0.597 62.675 62.100 -0.036 0.000 1.074 314 T CB 0.555 69.404 68.868 -0.032 0.000 0.944 314 T HN 0.186 nan 8.240 nan 0.000 0.516 315 A N -0.338 122.444 122.820 -0.063 0.000 2.692 315 A HA 0.648 4.967 4.320 -0.000 0.000 0.175 315 A C 1.557 179.088 177.584 -0.088 0.000 1.537 315 A CA 0.372 52.369 52.037 -0.067 0.000 1.134 315 A CB -0.421 18.539 19.000 -0.067 0.000 1.419 315 A HN 1.301 nan 8.150 nan 0.000 0.514 316 G N -0.411 108.316 108.800 -0.122 0.000 2.225 316 G HA2 0.185 4.145 3.960 -0.000 0.000 0.267 316 G HA3 0.185 4.145 3.960 -0.000 0.000 0.267 316 G C 0.310 175.093 174.900 -0.195 0.000 1.024 316 G CA 0.663 45.664 45.100 -0.166 0.000 0.784 316 G HN 2.014 nan 8.290 nan 0.000 0.507 317 A N -0.279 122.422 122.820 -0.197 0.000 2.340 317 A HA 0.780 5.100 4.320 -0.000 0.000 0.297 317 A C 0.644 178.082 177.584 -0.244 0.000 1.195 317 A CA 0.419 52.342 52.037 -0.189 0.000 0.769 317 A CB 1.359 20.281 19.000 -0.129 0.000 1.163 317 A HN 1.638 nan 8.150 nan 0.000 0.472 318 G N 2.555 111.194 108.800 -0.267 0.000 3.316 318 G HA2 0.436 4.396 3.960 -0.000 0.000 0.255 318 G HA3 0.436 4.396 3.960 -0.000 0.000 0.255 318 G C 0.345 175.015 174.900 -0.384 0.000 0.880 318 G CA 0.605 45.507 45.100 -0.329 0.000 1.956 318 G HN 1.054 nan 8.290 nan 0.000 0.634 319 T N -3.870 110.477 114.554 -0.345 0.000 2.916 319 T HA 0.365 4.714 4.350 -0.000 0.000 0.292 319 T C 0.685 175.224 174.700 -0.269 0.000 1.064 319 T CA -0.947 60.984 62.100 -0.282 0.000 1.011 319 T CB 1.775 70.567 68.868 -0.127 0.000 1.152 319 T HN 0.177 nan 8.240 nan 0.000 0.510 320 W N 0.808 122.003 121.300 -0.175 0.000 2.381 320 W HA -0.035 4.625 4.660 -0.000 0.000 0.301 320 W C 1.459 177.906 176.519 -0.121 0.000 1.205 320 W CA 1.392 58.644 57.345 -0.154 0.000 1.285 320 W CB -0.703 28.665 29.460 -0.154 0.000 1.133 320 W HN 0.778 nan 8.180 nan 0.000 0.521 321 D N -0.124 120.343 120.400 0.111 0.000 2.123 321 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 321 D C 2.232 178.533 176.300 0.002 0.000 0.992 321 D CA 2.104 56.127 54.000 0.038 0.000 0.833 321 D CB -0.760 40.049 40.800 0.014 0.000 0.954 321 D HN 0.031 nan 8.370 nan 0.000 0.455 322 A N 0.454 123.255 122.820 -0.032 0.000 1.898 322 A HA 0.109 4.428 4.320 -0.000 0.000 0.214 322 A C 2.364 179.917 177.584 -0.052 0.000 1.183 322 A CA 1.754 53.760 52.037 -0.053 0.000 0.622 322 A CB -0.935 18.013 19.000 -0.087 0.000 0.824 322 A HN 0.289 nan 8.150 nan 0.000 0.444 323 G N -0.262 108.497 108.800 -0.067 0.000 2.418 323 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 323 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 323 G C 1.333 176.237 174.900 0.006 0.000 1.158 323 G CA 1.087 46.152 45.100 -0.057 0.000 0.771 323 G HN 0.323 nan 8.290 nan 0.000 0.545 324 L N 0.655 121.904 121.223 0.042 0.000 2.141 324 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 324 L C 3.077 179.961 176.870 0.022 0.000 1.094 324 L CA 0.666 55.535 54.840 0.048 0.000 0.763 324 L CB -0.743 41.349 42.059 0.055 0.000 0.908 324 L HN 0.104 nan 8.230 nan 0.000 0.437 325 V N -0.369 119.551 119.914 0.009 0.000 2.343 325 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 325 V C 2.530 178.627 176.094 0.005 0.000 1.051 325 V CA 1.816 64.117 62.300 0.002 0.000 1.036 325 V CB -1.247 30.572 31.823 -0.007 0.000 0.654 325 V HN 0.543 nan 8.190 nan 0.000 0.451 326 G N -0.576 108.224 108.800 0.000 0.000 2.422 326 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 326 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 326 G C 1.653 176.564 174.900 0.018 0.000 1.140 326 G CA 1.053 46.154 45.100 0.001 0.000 0.775 326 G HN 0.372 nan 8.290 nan 0.000 0.545 327 V N 0.587 120.520 119.914 0.031 0.000 2.295 327 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 327 V C 2.744 178.878 176.094 0.067 0.000 1.049 327 V CA 2.064 64.399 62.300 0.058 0.000 1.024 327 V CB -0.170 31.701 31.823 0.080 0.000 0.648 327 V HN 0.380 nan 8.190 nan 0.000 0.447 328 E N 0.337 120.566 120.200 0.048 0.000 2.072 328 E HA -0.229 4.120 4.350 -0.000 0.000 0.191 328 E C 2.182 178.808 176.600 0.043 0.000 0.985 328 E CA 1.534 57.961 56.400 0.045 0.000 0.801 328 E CB -0.028 29.686 29.700 0.022 0.000 0.750 328 E HN 0.714 nan 8.360 nan 0.000 0.452 329 E N 0.008 120.226 120.200 0.031 0.000 2.106 329 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 329 E C 1.959 178.580 176.600 0.035 0.000 0.984 329 E CA 0.989 57.405 56.400 0.026 0.000 0.806 329 E CB -0.083 29.626 29.700 0.015 0.000 0.750 329 E HN 0.285 nan 8.360 nan 0.000 0.458 330 A N 0.795 123.639 122.820 0.041 0.000 1.929 330 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 330 A C 2.122 179.746 177.584 0.066 0.000 1.176 330 A CA 0.800 52.866 52.037 0.049 0.000 0.628 330 A CB -0.446 18.581 19.000 0.044 0.000 0.816 330 A HN 0.127 nan 8.150 nan 0.000 0.444 331 L N 0.439 121.710 121.223 0.080 0.000 2.046 331 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 331 L C 2.983 179.896 176.870 0.072 0.000 1.077 331 L CA 1.630 56.528 54.840 0.096 0.000 0.747 331 L CB -0.400 41.748 42.059 0.149 0.000 0.896 331 L HN 0.600 nan 8.230 nan 0.000 0.432 332 S N -0.616 115.120 115.700 0.059 0.000 2.428 332 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 332 S C 2.045 176.664 174.600 0.033 0.000 1.014 332 S CA 0.690 58.916 58.200 0.043 0.000 0.957 332 S CB -0.725 62.497 63.200 0.035 0.000 0.784 332 S HN 0.417 nan 8.310 nan 0.000 0.499 333 G N 1.993 110.814 108.800 0.036 0.000 2.418 333 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 333 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 333 G C 1.312 176.228 174.900 0.027 0.000 1.158 333 G CA 0.902 46.020 45.100 0.030 0.000 0.771 333 G HN 0.499 nan 8.290 nan 0.000 0.545 334 L N 0.612 121.858 121.223 0.038 0.000 2.362 334 L HA 0.270 4.610 4.340 -0.000 0.000 0.219 334 L C 1.916 178.782 176.870 -0.007 0.000 1.134 334 L CA 1.933 56.786 54.840 0.022 0.000 0.807 334 L CB 0.059 42.150 42.059 0.055 0.000 0.927 334 L HN 0.450 nan 8.230 nan 0.000 0.447 335 G N -2.181 106.623 108.800 0.006 0.000 2.227 335 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.168 335 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.168 335 G C 0.000 174.907 174.900 0.011 0.000 1.006 335 G CA -0.083 45.017 45.100 0.000 0.000 0.684 335 G HN 0.150 nan 8.290 nan 0.000 0.489 336 V N 1.824 121.755 119.914 0.027 0.000 2.498 336 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 336 V C 0.317 176.444 176.094 0.056 0.000 1.048 336 V CA -0.422 61.906 62.300 0.046 0.000 0.967 336 V CB 1.666 33.533 31.823 0.074 0.000 0.988 336 V HN 0.340 nan 8.190 nan 0.000 0.473 337 D N 3.739 124.170 120.400 0.052 0.000 2.346 337 D HA 0.079 4.718 4.640 -0.000 0.000 0.260 337 D C 1.117 177.454 176.300 0.062 0.000 1.252 337 D CA 0.083 54.111 54.000 0.047 0.000 0.895 337 D CB 1.272 42.095 40.800 0.037 0.000 1.097 337 D HN 0.722 nan 8.370 nan 0.000 0.489 338 T N 0.982 115.567 114.554 0.052 0.000 3.186 338 T HA 0.365 4.715 4.350 -0.000 0.000 0.257 338 T C 1.646 176.358 174.700 0.021 0.000 1.029 338 T CA 0.114 62.243 62.100 0.048 0.000 0.916 338 T CB 0.399 69.294 68.868 0.045 0.000 1.041 338 T HN 0.261 nan 8.240 nan 0.000 0.562 339 A N 2.017 124.850 122.820 0.020 0.000 1.892 339 A HA 0.166 4.485 4.320 -0.000 0.000 0.218 339 A C 2.436 180.021 177.584 0.001 0.000 1.188 339 A CA 1.634 53.677 52.037 0.010 0.000 0.631 339 A CB -1.346 17.662 19.000 0.013 0.000 0.822 339 A HN 0.633 nan 8.150 nan 0.000 0.447 340 G N -1.612 107.190 108.800 0.004 0.000 3.042 340 G HA2 0.379 4.339 3.960 -0.000 0.000 0.212 340 G HA3 0.379 4.339 3.960 -0.000 0.000 0.212 340 G C 0.426 175.308 174.900 -0.031 0.000 1.166 340 G CA -0.324 44.772 45.100 -0.006 0.000 0.767 340 G HN 0.368 nan 8.290 nan 0.000 0.546 341 L N 1.406 122.600 121.223 -0.048 0.000 2.349 341 L HA 0.439 4.778 4.340 -0.000 0.000 0.275 341 L C -0.643 176.168 176.870 -0.099 0.000 1.115 341 L CA -0.447 54.324 54.840 -0.115 0.000 0.820 341 L CB 1.918 43.890 42.059 -0.144 0.000 1.135 341 L HN -0.176 nan 8.230 nan 0.000 0.445 342 V N 5.314 125.155 119.914 -0.121 0.000 2.482 342 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 342 V C -0.568 175.461 176.094 -0.108 0.000 1.026 342 V CA -0.543 61.702 62.300 -0.092 0.000 0.856 342 V CB 1.847 33.630 31.823 -0.066 0.000 1.001 342 V HN 0.399 nan 8.190 nan 0.000 0.424 343 L N 4.511 125.681 121.223 -0.088 0.000 2.276 343 L HA 0.538 4.877 4.340 -0.000 0.000 0.286 343 L C 0.776 177.607 176.870 -0.065 0.000 1.024 343 L CA 0.288 55.081 54.840 -0.078 0.000 0.826 343 L CB 0.999 43.026 42.059 -0.054 0.000 1.211 343 L HN 0.559 nan 8.230 nan 0.000 0.422 344 N N 0.864 119.519 118.700 -0.075 0.000 2.332 344 N HA 0.058 4.798 4.740 -0.000 0.000 0.190 344 N C -0.462 174.941 175.510 -0.178 0.000 1.117 344 N CA 0.364 53.343 53.050 -0.119 0.000 0.883 344 N CB 0.762 39.183 38.487 -0.110 0.000 1.089 344 N HN 0.779 nan 8.380 nan 0.000 0.480 345 D N -3.548 116.807 120.400 -0.075 0.000 2.851 345 D HA 0.311 4.951 4.640 -0.000 0.000 0.339 345 D C 0.652 177.031 176.300 0.132 0.000 1.347 345 D CA -0.407 53.580 54.000 -0.021 0.000 0.888 345 D CB 0.237 41.031 40.800 -0.010 0.000 1.431 345 D HN -0.115 nan 8.370 nan 0.000 0.509 346 G N -1.333 107.619 108.800 0.253 0.000 2.762 346 G HA2 0.092 4.052 3.960 -0.000 0.000 0.209 346 G HA3 0.092 4.052 3.960 -0.000 0.000 0.209 346 G C 1.043 176.106 174.900 0.271 0.000 1.134 346 G CA 0.744 46.002 45.100 0.264 0.000 0.781 346 G HN 0.561 nan 8.290 nan 0.000 0.528 347 S N -0.843 115.021 115.700 0.273 0.000 2.456 347 S HA 0.371 4.841 4.470 -0.000 0.000 0.224 347 S C 1.853 176.526 174.600 0.121 0.000 1.035 347 S CA 1.182 59.516 58.200 0.224 0.000 0.940 347 S CB 0.135 63.464 63.200 0.215 0.000 0.799 347 S HN 1.418 nan 8.310 nan 0.000 0.508 348 G N 0.964 109.824 108.800 0.100 0.000 2.159 348 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.227 348 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.227 348 G C 0.446 175.322 174.900 -0.040 0.000 0.986 348 G CA 0.292 45.408 45.100 0.027 0.000 0.651 348 G HN 0.431 nan 8.290 nan 0.000 0.523 349 L N 0.643 121.835 121.223 -0.052 0.000 2.056 349 L HA 0.161 4.501 4.340 -0.000 0.000 0.207 349 L C 1.974 178.727 176.870 -0.195 0.000 1.078 349 L CA 1.599 56.283 54.840 -0.261 0.000 0.749 349 L CB -0.323 41.337 42.059 -0.665 0.000 0.901 349 L HN 0.434 nan 8.230 nan 0.000 0.433 350 S N -0.318 115.447 115.700 0.108 0.000 2.549 350 S HA 0.029 4.499 4.470 -0.000 0.000 0.279 350 S C 0.909 175.503 174.600 -0.009 0.000 1.321 350 S CA -0.287 58.014 58.200 0.168 0.000 1.054 350 S CB 0.816 64.141 63.200 0.208 0.000 0.899 350 S HN 0.245 nan 8.310 nan 0.000 0.497 351 R N 2.880 123.353 120.500 -0.045 0.000 2.363 351 R HA 0.177 4.517 4.340 -0.000 0.000 0.236 351 R C 1.529 177.821 176.300 -0.014 0.000 0.966 351 R CA 0.437 56.507 56.100 -0.050 0.000 1.100 351 R CB -0.133 30.135 30.300 -0.054 0.000 1.125 351 R HN 0.733 nan 8.270 nan 0.000 0.514 352 G N -0.804 107.986 108.800 -0.017 0.000 3.277 352 G HA2 0.007 3.967 3.960 -0.000 0.000 0.243 352 G HA3 0.007 3.967 3.960 -0.000 0.000 0.243 352 G C -0.092 174.783 174.900 -0.041 0.000 1.107 352 G CA -0.361 44.723 45.100 -0.027 0.000 0.771 352 G HN 0.104 nan 8.290 nan 0.000 0.544 353 N N 0.840 119.515 118.700 -0.041 0.000 2.455 353 N HA 0.504 5.243 4.740 -0.000 0.000 0.280 353 N C -0.875 174.598 175.510 -0.061 0.000 1.055 353 N CA 0.047 53.062 53.050 -0.057 0.000 0.961 353 N CB 2.078 40.535 38.487 -0.049 0.000 1.121 353 N HN 0.025 nan 8.380 nan 0.000 0.476 354 L N 1.702 122.876 121.223 -0.082 0.000 2.410 354 L HA 0.574 4.914 4.340 -0.000 0.000 0.270 354 L C 0.140 176.938 176.870 -0.120 0.000 0.983 354 L CA -1.006 53.789 54.840 -0.075 0.000 0.822 354 L CB 1.934 43.962 42.059 -0.053 0.000 1.285 354 L HN 0.222 nan 8.230 nan 0.000 0.409 355 V N -0.631 119.225 119.914 -0.095 0.000 3.181 355 V HA 0.926 5.046 4.120 -0.000 0.000 0.314 355 V C -0.190 175.898 176.094 -0.011 0.000 1.173 355 V CA -0.415 61.828 62.300 -0.095 0.000 1.052 355 V CB 2.069 33.845 31.823 -0.078 0.000 1.123 355 V HN 0.837 nan 8.190 nan 0.000 0.454 356 T N -2.634 111.940 114.554 0.032 0.000 2.901 356 T HA 0.776 5.126 4.350 -0.000 0.000 0.293 356 T C 0.823 175.571 174.700 0.080 0.000 1.084 356 T CA -0.095 62.034 62.100 0.048 0.000 1.008 356 T CB 1.618 70.509 68.868 0.038 0.000 1.170 356 T HN 1.626 nan 8.240 nan 0.000 0.509 357 A N 0.701 123.561 122.820 0.068 0.000 1.969 357 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 357 A C 1.892 179.518 177.584 0.070 0.000 1.169 357 A CA 1.485 53.565 52.037 0.072 0.000 0.635 357 A CB -0.977 18.065 19.000 0.070 0.000 0.810 357 A HN 0.885 nan 8.150 nan 0.000 0.445 358 D N -0.296 120.142 120.400 0.064 0.000 2.117 358 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 358 D C 2.035 178.379 176.300 0.074 0.000 0.987 358 D CA 1.892 55.926 54.000 0.058 0.000 0.829 358 D CB -0.563 40.264 40.800 0.045 0.000 0.961 358 D HN 0.407 nan 8.370 nan 0.000 0.460 359 T N 0.600 115.217 114.554 0.103 0.000 2.746 359 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 359 T C 2.276 177.094 174.700 0.196 0.000 1.039 359 T CA 0.935 63.133 62.100 0.163 0.000 1.142 359 T CB -0.377 68.611 68.868 0.200 0.000 0.866 359 T HN -0.017 nan 8.240 nan 0.000 0.444 360 V N 1.306 121.337 119.914 0.195 0.000 2.343 360 V HA -0.137 3.982 4.120 -0.000 0.000 0.247 360 V C 2.697 178.768 176.094 -0.039 0.000 1.051 360 V CA 1.294 63.646 62.300 0.087 0.000 1.036 360 V CB -0.809 31.069 31.823 0.092 0.000 0.654 360 V HN 0.323 nan 8.190 nan 0.000 0.451 361 V N 0.268 120.179 119.914 -0.005 0.000 2.427 361 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 361 V C 2.403 178.497 176.094 0.000 0.000 1.051 361 V CA 2.117 64.408 62.300 -0.016 0.000 1.048 361 V CB -0.697 31.136 31.823 0.017 0.000 0.666 361 V HN 0.564 nan 8.190 nan 0.000 0.456 362 D N 0.368 120.779 120.400 0.018 0.000 2.106 362 D HA -0.208 4.431 4.640 -0.000 0.000 0.191 362 D C 2.028 178.318 176.300 -0.016 0.000 0.997 362 D CA 1.681 55.690 54.000 0.016 0.000 0.834 362 D CB -0.232 40.593 40.800 0.041 0.000 0.956 362 D HN 0.325 nan 8.370 nan 0.000 0.448 363 L N 0.284 121.476 121.223 -0.052 0.000 2.042 363 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 363 L C 2.291 179.091 176.870 -0.116 0.000 1.076 363 L CA 1.468 56.223 54.840 -0.142 0.000 0.749 363 L CB -0.548 41.283 42.059 -0.380 0.000 0.893 363 L HN 0.135 nan 8.230 nan 0.000 0.432 364 L N -0.808 120.382 121.223 -0.055 0.000 2.201 364 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 364 L C 2.414 179.375 176.870 0.152 0.000 1.105 364 L CA 0.973 55.846 54.840 0.056 0.000 0.775 364 L CB -1.085 40.907 42.059 -0.113 0.000 0.913 364 L HN 0.474 nan 8.230 nan 0.000 0.440 365 G N -1.279 107.557 108.800 0.060 0.000 2.395 365 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.214 365 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.214 365 G C 1.472 176.357 174.900 -0.026 0.000 1.177 365 G CA 0.020 45.151 45.100 0.050 0.000 0.794 365 G HN 0.196 nan 8.290 nan 0.000 0.532 366 Q N 0.676 120.434 119.800 -0.069 0.000 2.124 366 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 366 Q C 2.828 178.678 176.000 -0.249 0.000 0.977 366 Q CA 1.362 57.087 55.803 -0.129 0.000 0.850 366 Q CB -0.658 28.021 28.738 -0.099 0.000 0.901 366 Q HN 0.451 nan 8.270 nan 0.000 0.429 367 A N 0.532 123.171 122.820 -0.301 0.000 2.066 367 A HA 0.030 4.349 4.320 -0.000 0.000 0.218 367 A C 2.277 179.601 177.584 -0.434 0.000 1.157 367 A CA 1.283 52.974 52.037 -0.575 0.000 0.670 367 A CB -0.744 17.683 19.000 -0.955 0.000 0.804 367 A HN 0.422 nan 8.150 nan 0.000 0.453 368 G N 0.140 108.843 108.800 -0.161 0.000 2.422 368 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 368 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 368 G C 1.650 176.438 174.900 -0.187 0.000 1.146 368 G CA 1.595 46.632 45.100 -0.106 0.000 0.769 368 G HN 0.933 nan 8.290 nan 0.000 0.547 369 S N -0.595 114.964 115.700 -0.236 0.000 2.539 369 S HA 0.671 5.141 4.470 -0.000 0.000 0.221 369 S C 1.009 175.403 174.600 -0.343 0.000 0.987 369 S CA 0.378 58.440 58.200 -0.231 0.000 0.929 369 S CB 0.427 63.531 63.200 -0.160 0.000 0.832 369 S HN 0.542 nan 8.310 nan 0.000 0.492 370 A N 2.793 125.265 122.820 -0.581 0.000 2.425 370 A HA 0.553 4.873 4.320 -0.000 0.000 0.242 370 A C -1.022 176.125 177.584 -0.728 0.000 1.077 370 A CA -1.300 50.206 52.037 -0.884 0.000 0.781 370 A CB -0.152 17.724 19.000 -1.873 0.000 1.020 370 A HN 0.253 nan 8.150 nan 0.000 0.494 371 P HA -0.135 nan 4.420 nan 0.000 0.217 371 P C 0.757 177.972 177.300 -0.141 0.000 1.148 371 P CA 1.454 64.398 63.100 -0.260 0.000 0.828 371 P CB -0.029 31.605 31.700 -0.111 0.000 0.783 372 W N -2.041 119.265 121.300 0.009 0.000 3.364 372 W HA 0.648 5.308 4.660 -0.000 0.000 0.397 372 W C 0.831 177.404 176.519 0.090 0.000 1.107 372 W CA -0.107 57.269 57.345 0.051 0.000 1.892 372 W CB -1.281 28.218 29.460 0.064 0.000 1.027 372 W HN -0.101 nan 8.180 nan 0.000 0.761 373 A N 1.053 123.909 122.820 0.061 0.000 1.933 373 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 373 A C 2.270 180.001 177.584 0.244 0.000 1.175 373 A CA 1.414 53.518 52.037 0.112 0.000 0.628 373 A CB -0.547 18.413 19.000 -0.068 0.000 0.814 373 A HN 0.299 nan 8.150 nan 0.000 0.444 374 Q N -0.155 119.750 119.800 0.176 0.000 2.079 374 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 374 Q C 2.199 178.312 176.000 0.190 0.000 0.974 374 Q CA 2.262 58.153 55.803 0.146 0.000 0.840 374 Q CB -0.346 28.451 28.738 0.099 0.000 0.898 374 Q HN 0.784 nan 8.270 nan 0.000 0.430 375 T N -1.267 113.437 114.554 0.250 0.000 2.857 375 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 375 T C 1.539 176.416 174.700 0.295 0.000 1.048 375 T CA 0.813 63.058 62.100 0.242 0.000 1.139 375 T CB -0.789 68.220 68.868 0.234 0.000 0.874 375 T HN 0.479 nan 8.240 nan 0.000 0.455 376 W N 2.466 123.904 121.300 0.231 0.000 2.333 376 W HA -0.161 4.499 4.660 -0.000 0.000 0.316 376 W C 1.807 178.432 176.519 0.176 0.000 1.215 376 W CA 1.460 58.948 57.345 0.239 0.000 1.278 376 W CB -0.641 29.081 29.460 0.435 0.000 1.154 376 W HN 0.295 nan 8.180 nan 0.000 0.486 377 S N 0.975 116.803 115.700 0.215 0.000 2.402 377 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 377 S C 2.100 176.700 174.600 -0.001 0.000 1.021 377 S CA 1.311 59.542 58.200 0.053 0.000 0.974 377 S CB -0.618 62.639 63.200 0.096 0.000 0.800 377 S HN 0.378 nan 8.310 nan 0.000 0.484 378 A N 1.608 124.455 122.820 0.045 0.000 2.019 378 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 378 A C 2.258 179.835 177.584 -0.011 0.000 1.164 378 A CA 1.740 53.795 52.037 0.030 0.000 0.644 378 A CB -0.658 18.382 19.000 0.067 0.000 0.805 378 A HN 0.599 nan 8.150 nan 0.000 0.449 379 S N -0.826 114.847 115.700 -0.046 0.000 2.496 379 S HA 0.217 4.686 4.470 -0.000 0.000 0.224 379 S C 0.600 175.086 174.600 -0.189 0.000 0.996 379 S CA -0.213 57.933 58.200 -0.090 0.000 0.927 379 S CB -0.535 62.624 63.200 -0.067 0.000 0.774 379 S HN 0.360 nan 8.310 nan 0.000 0.524 380 L N 2.525 123.614 121.223 -0.224 0.000 2.349 380 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 380 L C -2.426 174.337 176.870 -0.178 0.000 1.115 380 L CA -2.470 52.220 54.840 -0.250 0.000 0.820 380 L CB 0.254 42.150 42.059 -0.271 0.000 1.135 380 L HN -0.007 nan 8.230 nan 0.000 0.445 381 P HA -0.053 nan 4.420 nan 0.000 0.263 381 P C -0.782 176.462 177.300 -0.092 0.000 1.175 381 P CA 0.106 63.113 63.100 -0.155 0.000 0.761 381 P CB 0.424 32.031 31.700 -0.156 0.000 0.794 382 V N 3.191 123.064 119.914 -0.069 0.000 2.435 382 V HA 0.466 4.586 4.120 -0.000 0.000 0.290 382 V C 0.595 176.669 176.094 -0.033 0.000 1.030 382 V CA -1.017 61.261 62.300 -0.036 0.000 0.881 382 V CB 1.166 32.974 31.823 -0.026 0.000 0.983 382 V HN 0.653 nan 8.190 nan 0.000 0.445 383 A N 3.769 126.575 122.820 -0.023 0.000 2.548 383 A HA 0.484 4.804 4.320 -0.000 0.000 0.247 383 A C 1.472 179.042 177.584 -0.024 0.000 1.067 383 A CA 0.689 52.712 52.037 -0.024 0.000 0.757 383 A CB -0.601 18.386 19.000 -0.022 0.000 0.996 383 A HN 2.269 nan 8.150 nan 0.000 0.504 384 G N 1.763 110.550 108.800 -0.020 0.000 2.160 384 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.251 384 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.251 384 G C -0.118 174.778 174.900 -0.008 0.000 1.008 384 G CA 0.404 45.496 45.100 -0.014 0.000 0.724 384 G HN 0.841 nan 8.290 nan 0.000 0.514 385 E N 0.446 120.642 120.200 -0.006 0.000 2.134 385 E HA 0.394 4.743 4.350 -0.000 0.000 0.278 385 E C 1.262 177.871 176.600 0.015 0.000 0.959 385 E CA 0.195 56.598 56.400 0.004 0.000 0.783 385 E CB 1.392 31.093 29.700 0.002 0.000 1.095 385 E HN 0.415 nan 8.360 nan 0.000 0.399 386 S N 1.346 117.060 115.700 0.023 0.000 2.561 386 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 386 S C 0.606 175.241 174.600 0.057 0.000 0.977 386 S CA -0.000 58.220 58.200 0.034 0.000 0.926 386 S CB 0.113 63.330 63.200 0.029 0.000 0.769 386 S HN 0.346 nan 8.310 nan 0.000 0.533 387 D N 3.180 123.619 120.400 0.066 0.000 2.358 387 D HA 0.227 4.867 4.640 -0.000 0.000 0.258 387 D C -1.665 174.717 176.300 0.138 0.000 1.223 387 D CA -2.134 51.931 54.000 0.108 0.000 0.886 387 D CB 1.508 42.370 40.800 0.104 0.000 1.120 387 D HN 0.052 nan 8.370 nan 0.000 0.482 388 P HA -0.112 nan 4.420 nan 0.000 0.217 388 P C 0.879 178.236 177.300 0.095 0.000 1.148 388 P CA 0.950 64.188 63.100 0.230 0.000 0.828 388 P CB 0.016 31.917 31.700 0.335 0.000 0.783 389 F N -2.092 117.918 119.950 0.101 0.000 2.797 389 F HA 0.007 4.534 4.527 -0.000 0.000 0.302 389 F C 1.875 177.633 175.800 -0.069 0.000 1.130 389 F CA 0.469 58.466 58.000 -0.005 0.000 1.387 389 F CB -0.211 38.837 39.000 0.081 0.000 1.107 389 F HN -0.237 nan 8.300 nan 0.000 0.577 390 V N -1.685 118.272 119.914 0.073 0.000 2.840 390 V HA 0.183 4.303 4.120 -0.000 0.000 0.234 390 V C 2.346 178.409 176.094 -0.051 0.000 1.159 390 V CA 1.282 63.592 62.300 0.016 0.000 1.194 390 V CB -0.653 31.195 31.823 0.042 0.000 0.971 390 V HN 0.218 nan 8.190 nan 0.000 0.494 391 G N -0.739 108.036 108.800 -0.041 0.000 2.603 391 G HA2 0.346 4.306 3.960 -0.000 0.000 0.214 391 G HA3 0.346 4.306 3.960 -0.000 0.000 0.214 391 G C 1.197 176.034 174.900 -0.105 0.000 1.140 391 G CA 1.021 46.087 45.100 -0.056 0.000 0.800 391 G HN 0.800 nan 8.290 nan 0.000 0.533 392 G N 0.545 109.241 108.800 -0.172 0.000 2.672 392 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.324 392 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.324 392 G C 1.538 176.392 174.900 -0.077 0.000 1.286 392 G CA 2.551 47.494 45.100 -0.261 0.000 1.004 392 G HN 1.162 nan 8.290 nan 0.000 0.548 393 T N -0.518 113.982 114.554 -0.090 0.000 3.118 393 T HA 0.354 4.704 4.350 -0.000 0.000 0.260 393 T C 2.007 176.683 174.700 -0.040 0.000 1.139 393 T CA 1.500 63.578 62.100 -0.038 0.000 1.085 393 T CB 0.025 68.863 68.868 -0.050 0.000 0.934 393 T HN 0.475 nan 8.240 nan 0.000 0.518 394 L N 0.052 121.244 121.223 -0.051 0.000 2.728 394 L HA 0.500 4.840 4.340 -0.000 0.000 0.238 394 L C 2.627 179.481 176.870 -0.025 0.000 1.143 394 L CA 0.012 54.830 54.840 -0.037 0.000 0.937 394 L CB -0.265 41.770 42.059 -0.039 0.000 1.225 394 L HN 0.270 nan 8.230 nan 0.000 0.507 395 A N 0.707 123.516 122.820 -0.018 0.000 1.978 395 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 395 A C 1.551 179.135 177.584 -0.001 0.000 1.170 395 A CA 1.671 53.706 52.037 -0.004 0.000 0.636 395 A CB -0.478 18.532 19.000 0.015 0.000 0.810 395 A HN 0.587 nan 8.150 nan 0.000 0.448 396 N N -1.259 117.439 118.700 -0.003 0.000 2.275 396 N HA 0.188 4.928 4.740 -0.000 0.000 0.236 396 N C -0.355 175.148 175.510 -0.012 0.000 1.154 396 N CA -0.187 52.860 53.050 -0.005 0.000 0.866 396 N CB 0.547 39.033 38.487 -0.003 0.000 1.093 396 N HN 0.285 nan 8.380 nan 0.000 0.515 397 R N 0.406 120.897 120.500 -0.016 0.000 2.637 397 R HA 0.418 4.757 4.340 -0.000 0.000 0.291 397 R C 0.120 176.406 176.300 -0.023 0.000 0.963 397 R CA -0.564 55.523 56.100 -0.021 0.000 0.901 397 R CB 1.233 31.519 30.300 -0.023 0.000 1.160 397 R HN 0.103 nan 8.270 nan 0.000 0.457 398 M N 0.460 120.044 119.600 -0.026 0.000 2.872 398 M HA -0.252 4.228 4.480 -0.000 0.000 0.200 398 M C -0.473 175.812 176.300 -0.025 0.000 0.582 398 M CA 0.973 56.255 55.300 -0.030 0.000 0.706 398 M CB -0.993 31.584 32.600 -0.038 0.000 2.560 398 M HN 0.529 nan 8.290 nan 0.000 0.476 399 R N 0.765 121.254 120.500 -0.019 0.000 2.442 399 R HA 0.331 4.671 4.340 -0.000 0.000 0.291 399 R C 1.342 177.635 176.300 -0.013 0.000 1.069 399 R CA 1.083 57.175 56.100 -0.014 0.000 1.022 399 R CB 0.478 30.772 30.300 -0.009 0.000 0.976 399 R HN 0.562 nan 8.270 nan 0.000 0.443 400 G N 1.969 110.763 108.800 -0.010 0.000 2.143 400 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 400 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 400 G C 0.192 175.086 174.900 -0.009 0.000 0.991 400 G CA 0.585 45.680 45.100 -0.008 0.000 0.689 400 G HN 0.723 nan 8.290 nan 0.000 0.522 401 T N -4.018 110.527 114.554 -0.014 0.000 2.927 401 T HA 0.817 5.167 4.350 -0.000 0.000 0.286 401 T C 1.561 176.252 174.700 -0.015 0.000 1.040 401 T CA 0.307 62.397 62.100 -0.016 0.000 1.010 401 T CB 1.681 70.534 68.868 -0.026 0.000 1.177 401 T HN 1.358 nan 8.240 nan 0.000 0.546 402 A N 0.358 123.174 122.820 -0.007 0.000 2.024 402 A HA 0.191 4.511 4.320 -0.000 0.000 0.220 402 A C 2.370 179.925 177.584 -0.048 0.000 1.164 402 A CA 1.780 53.820 52.037 0.005 0.000 0.643 402 A CB -1.418 17.606 19.000 0.040 0.000 0.806 402 A HN 1.290 nan 8.150 nan 0.000 0.451 403 A N -0.643 122.142 122.820 -0.058 0.000 2.206 403 A HA 0.098 4.418 4.320 -0.000 0.000 0.211 403 A C 0.986 178.524 177.584 -0.077 0.000 1.158 403 A CA 0.394 52.380 52.037 -0.083 0.000 0.761 403 A CB -0.308 18.646 19.000 -0.076 0.000 0.801 403 A HN 0.603 nan 8.150 nan 0.000 0.473 404 E N 0.047 120.211 120.200 -0.060 0.000 2.292 404 E HA 0.332 4.682 4.350 -0.000 0.000 0.265 404 E C 1.098 177.665 176.600 -0.054 0.000 1.093 404 E CA 0.492 56.865 56.400 -0.045 0.000 0.922 404 E CB -0.186 29.498 29.700 -0.027 0.000 1.001 404 E HN 0.606 nan 8.360 nan 0.000 0.444 405 G N 2.762 111.534 108.800 -0.046 0.000 2.179 405 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.260 405 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.260 405 G C 0.575 175.436 174.900 -0.065 0.000 0.977 405 G CA 0.318 45.393 45.100 -0.041 0.000 0.641 405 G HN 0.479 nan 8.290 nan 0.000 0.533 406 V N -0.318 119.535 119.914 -0.102 0.000 2.870 406 V HA 0.245 4.365 4.120 -0.000 0.000 0.232 406 V C 1.802 177.862 176.094 -0.057 0.000 1.161 406 V CA 0.799 63.006 62.300 -0.154 0.000 1.204 406 V CB 0.094 31.684 31.823 -0.388 0.000 1.003 406 V HN 0.208 nan 8.190 nan 0.000 0.499 407 V N 2.431 122.325 119.914 -0.033 0.000 2.540 407 V HA 0.043 4.162 4.120 -0.000 0.000 0.297 407 V C -0.025 176.112 176.094 0.071 0.000 1.024 407 V CA 0.421 62.756 62.300 0.057 0.000 1.105 407 V CB 0.027 31.880 31.823 0.050 0.000 0.938 407 V HN 0.549 nan 8.190 nan 0.000 0.482 408 E N 3.760 124.033 120.200 0.122 0.000 2.133 408 E HA 0.763 5.113 4.350 -0.000 0.000 0.274 408 E C -0.275 176.336 176.600 0.019 0.000 0.930 408 E CA -0.309 56.131 56.400 0.067 0.000 0.770 408 E CB 1.877 31.638 29.700 0.101 0.000 1.104 408 E HN 0.860 nan 8.360 nan 0.000 0.403 409 A N 2.836 125.621 122.820 -0.059 0.000 2.612 409 A HA 0.624 4.944 4.320 -0.000 0.000 0.293 409 A C -1.544 175.938 177.584 -0.171 0.000 1.075 409 A CA -0.885 51.073 52.037 -0.132 0.000 0.680 409 A CB 1.614 20.630 19.000 0.026 0.000 1.279 409 A HN 0.379 nan 8.150 nan 0.000 0.411 410 K N 0.955 121.224 120.400 -0.218 0.000 2.235 410 K HA 0.643 4.963 4.320 -0.000 0.000 0.266 410 K C 0.324 176.842 176.600 -0.137 0.000 0.980 410 K CA 0.304 56.470 56.287 -0.201 0.000 0.849 410 K CB 1.073 33.426 32.500 -0.245 0.000 1.098 410 K HN 0.944 nan 8.250 nan 0.000 0.445 411 T N -0.067 114.418 114.554 -0.114 0.000 2.810 411 T HA 0.786 5.136 4.350 -0.000 0.000 0.277 411 T C 0.249 174.903 174.700 -0.075 0.000 0.973 411 T CA -0.531 61.522 62.100 -0.079 0.000 0.949 411 T CB 1.324 70.148 68.868 -0.072 0.000 1.075 411 T HN 0.660 nan 8.240 nan 0.000 0.537 412 G N 0.133 108.896 108.800 -0.061 0.000 1.895 412 G HA2 0.466 4.426 3.960 -0.000 0.000 0.302 412 G HA3 0.466 4.426 3.960 -0.000 0.000 0.302 412 G C -0.983 173.884 174.900 -0.055 0.000 1.691 412 G CA -0.741 44.321 45.100 -0.063 0.000 0.929 412 G HN 0.824 nan 8.290 nan 0.000 0.629 413 T N 2.920 117.428 114.554 -0.077 0.000 2.921 413 T HA 0.780 5.129 4.350 -0.000 0.000 0.297 413 T C 0.346 174.980 174.700 -0.109 0.000 1.013 413 T CA -0.449 61.612 62.100 -0.066 0.000 0.990 413 T CB 1.521 70.357 68.868 -0.054 0.000 1.023 413 T HN 0.938 nan 8.240 nan 0.000 0.447 414 M N -0.495 119.053 119.600 -0.086 0.000 3.557 414 M HA 0.651 5.131 4.480 -0.000 0.000 0.301 414 M C -0.593 175.672 176.300 -0.058 0.000 1.451 414 M CA -1.157 54.073 55.300 -0.116 0.000 0.816 414 M CB 1.114 33.598 32.600 -0.194 0.000 1.848 414 M HN 0.207 nan 8.290 nan 0.000 0.456 415 S N 1.111 116.780 115.700 -0.052 0.000 2.571 415 S HA 0.351 4.821 4.470 -0.000 0.000 0.297 415 S C 1.068 175.624 174.600 -0.073 0.000 1.234 415 S CA 1.337 59.527 58.200 -0.018 0.000 1.120 415 S CB -0.664 62.579 63.200 0.072 0.000 0.923 415 S HN 1.212 nan 8.310 nan 0.000 0.504 416 G N 2.553 111.244 108.800 -0.182 0.000 2.203 416 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.263 416 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.263 416 G C -0.039 174.704 174.900 -0.262 0.000 1.012 416 G CA 0.276 45.094 45.100 -0.469 0.000 0.749 416 G HN 0.780 nan 8.290 nan 0.000 0.512 417 V N -0.679 119.225 119.914 -0.017 0.000 2.733 417 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 417 V C -0.114 176.053 176.094 0.122 0.000 1.084 417 V CA -0.082 62.267 62.300 0.082 0.000 0.905 417 V CB 2.092 33.912 31.823 -0.006 0.000 1.010 417 V HN 0.716 nan 8.190 nan 0.000 0.424 418 S N 2.270 118.044 115.700 0.123 0.000 2.535 418 S HA 0.913 5.383 4.470 -0.000 0.000 0.272 418 S C -1.144 173.466 174.600 0.018 0.000 1.149 418 S CA 0.280 58.507 58.200 0.044 0.000 0.888 418 S CB 1.824 65.033 63.200 0.016 0.000 1.110 418 S HN 1.576 nan 8.310 nan 0.000 0.463 419 A N 2.311 125.130 122.820 -0.001 0.000 2.594 419 A HA 0.866 5.186 4.320 -0.000 0.000 0.295 419 A C -2.090 175.493 177.584 -0.001 0.000 1.071 419 A CA -0.523 51.517 52.037 0.004 0.000 0.685 419 A CB 1.697 20.701 19.000 0.006 0.000 1.285 419 A HN 0.945 nan 8.150 nan 0.000 0.405 420 L N 1.266 122.504 121.223 0.025 0.000 2.491 420 L HA 0.717 5.057 4.340 -0.000 0.000 0.267 420 L C -0.839 176.011 176.870 -0.034 0.000 0.971 420 L CA 0.334 55.202 54.840 0.047 0.000 0.857 420 L CB 1.932 44.087 42.059 0.160 0.000 1.226 420 L HN 0.637 nan 8.230 nan 0.000 0.408 421 S N 2.595 118.129 115.700 -0.278 0.000 2.538 421 S HA 1.017 5.487 4.470 -0.000 0.000 0.288 421 S C -0.111 174.001 174.600 -0.813 0.000 1.108 421 S CA -0.111 57.719 58.200 -0.617 0.000 0.971 421 S CB 1.854 64.855 63.200 -0.332 0.000 1.041 421 S HN 1.068 nan 8.310 nan 0.000 0.483 422 G N 1.236 109.266 108.800 -1.283 0.000 2.399 422 G HA2 0.414 4.374 3.960 -0.000 0.000 0.256 422 G HA3 0.414 4.374 3.960 -0.000 0.000 0.256 422 G C -2.488 171.952 174.900 -0.767 0.000 1.236 422 G CA -0.590 43.955 45.100 -0.926 0.000 0.914 422 G HN 0.444 nan 8.290 nan 0.000 0.482 423 Y N -0.683 119.606 120.300 -0.018 0.000 2.429 423 Y HA 0.620 5.170 4.550 -0.000 0.000 0.342 423 Y C 0.208 176.247 175.900 0.231 0.000 1.004 423 Y CA -0.924 57.252 58.100 0.127 0.000 1.075 423 Y CB 2.574 41.081 38.460 0.077 0.000 1.214 423 Y HN 0.283 nan 8.280 nan 0.000 0.455 424 V N 5.053 125.209 119.914 0.403 0.000 2.266 424 V HA 0.283 4.403 4.120 -0.000 0.000 0.266 424 V C -2.424 173.797 176.094 0.213 0.000 1.036 424 V CA -1.857 60.593 62.300 0.250 0.000 0.828 424 V CB 0.434 32.370 31.823 0.187 0.000 1.081 424 V HN 0.547 nan 8.190 nan 0.000 0.449 425 P HA 0.391 nan 4.420 nan 0.000 0.276 425 P C 0.123 177.568 177.300 0.242 0.000 1.235 425 P CA 0.566 63.755 63.100 0.147 0.000 0.772 425 P CB 2.005 33.757 31.700 0.087 0.000 0.871 426 G N 3.000 111.930 108.800 0.216 0.000 2.798 426 G HA2 0.520 4.480 3.960 -0.000 0.000 0.286 426 G HA3 0.520 4.480 3.960 -0.000 0.000 0.286 426 G C -2.220 172.723 174.900 0.072 0.000 1.389 426 G CA -1.183 44.047 45.100 0.216 0.000 0.894 426 G HN 0.206 nan 8.290 nan 0.000 0.488 427 P HA 0.059 nan 4.420 nan 0.000 0.239 427 P C 0.650 177.942 177.300 -0.015 0.000 1.184 427 P CA 0.710 63.797 63.100 -0.021 0.000 0.760 427 P CB 0.536 32.198 31.700 -0.062 0.000 0.884 428 E N -0.055 120.145 120.200 -0.001 0.000 2.099 428 E HA 0.279 4.629 4.350 -0.000 0.000 0.191 428 E C 1.237 177.857 176.600 0.032 0.000 0.962 428 E CA 0.805 57.211 56.400 0.011 0.000 0.826 428 E CB 0.043 29.756 29.700 0.020 0.000 0.788 428 E HN 0.257 nan 8.360 nan 0.000 0.461 429 G N 1.433 110.264 108.800 0.052 0.000 2.337 429 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.310 429 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.310 429 G C -1.430 173.520 174.900 0.083 0.000 1.534 429 G CA -0.924 44.209 45.100 0.055 0.000 0.982 429 G HN -0.029 nan 8.290 nan 0.000 0.672 430 E N -0.779 119.462 120.200 0.070 0.000 2.652 430 E HA 0.270 4.620 4.350 -0.000 0.000 0.255 430 E C -0.087 176.606 176.600 0.156 0.000 0.952 430 E CA 0.315 56.775 56.400 0.100 0.000 0.947 430 E CB 0.395 30.122 29.700 0.045 0.000 0.912 430 E HN 0.462 nan 8.360 nan 0.000 0.489 431 L N 3.245 124.594 121.223 0.210 0.000 2.325 431 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 431 L C -0.532 176.522 176.870 0.307 0.000 1.023 431 L CA -0.312 54.662 54.840 0.224 0.000 0.811 431 L CB 1.821 43.999 42.059 0.200 0.000 1.249 431 L HN 0.623 nan 8.230 nan 0.000 0.431 432 A N 3.501 126.470 122.820 0.247 0.000 2.371 432 A HA 0.836 5.156 4.320 -0.000 0.000 0.311 432 A C -1.226 176.460 177.584 0.170 0.000 1.068 432 A CA -0.413 51.730 52.037 0.177 0.000 0.744 432 A CB 0.906 19.981 19.000 0.125 0.000 1.239 432 A HN 0.569 nan 8.150 nan 0.000 0.435 433 F N 0.311 120.239 119.950 -0.037 0.000 2.599 433 F HA 0.870 5.397 4.527 -0.000 0.000 0.311 433 F C -0.464 175.308 175.800 -0.047 0.000 1.076 433 F CA -0.857 57.123 58.000 -0.033 0.000 0.937 433 F CB 1.817 40.794 39.000 -0.039 0.000 1.282 433 F HN 0.468 nan 8.300 nan 0.000 0.460 434 S N 2.882 118.619 115.700 0.062 0.000 2.619 434 S HA 0.749 5.219 4.470 -0.000 0.000 0.280 434 S C -1.371 173.304 174.600 0.125 0.000 1.150 434 S CA -0.526 57.667 58.200 -0.010 0.000 0.978 434 S CB 0.828 64.011 63.200 -0.029 0.000 1.041 434 S HN 0.653 nan 8.310 nan 0.000 0.485 435 I N 4.436 125.083 120.570 0.129 0.000 2.389 435 I HA 0.554 4.724 4.170 -0.000 0.000 0.288 435 I C -0.915 175.238 176.117 0.061 0.000 0.999 435 I CA -0.845 60.519 61.300 0.106 0.000 1.129 435 I CB 1.969 40.036 38.000 0.112 0.000 1.288 435 I HN 0.285 nan 8.210 nan 0.000 0.444 436 V N 5.647 125.594 119.914 0.055 0.000 2.531 436 V HA 0.489 4.609 4.120 -0.000 0.000 0.301 436 V C -0.548 175.576 176.094 0.049 0.000 1.034 436 V CA -0.740 61.589 62.300 0.047 0.000 0.865 436 V CB 1.886 33.739 31.823 0.049 0.000 0.995 436 V HN 0.661 nan 8.190 nan 0.000 0.424 437 N N 3.797 122.529 118.700 0.054 0.000 2.314 437 N HA 0.518 5.257 4.740 -0.000 0.000 0.294 437 N C -1.202 174.416 175.510 0.179 0.000 1.029 437 N CA -0.470 52.627 53.050 0.077 0.000 0.845 437 N CB 2.435 40.904 38.487 -0.029 0.000 1.321 437 N HN 0.740 nan 8.380 nan 0.000 0.481 438 N N -0.382 118.431 118.700 0.189 0.000 2.235 438 N HA 0.391 5.131 4.740 -0.000 0.000 0.293 438 N C 0.220 175.803 175.510 0.122 0.000 1.083 438 N CA -0.456 52.675 53.050 0.134 0.000 0.801 438 N CB 2.530 41.054 38.487 0.062 0.000 1.559 438 N HN 0.678 nan 8.380 nan 0.000 0.472 439 G N 1.177 109.956 108.800 -0.034 0.000 2.159 439 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 439 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 439 G C 0.063 174.947 174.900 -0.026 0.000 0.977 439 G CA 0.260 45.332 45.100 -0.048 0.000 0.652 439 G HN 0.854 nan 8.290 nan 0.000 0.531 440 H N -0.150 118.927 119.070 0.011 0.000 2.757 440 H HA 0.621 5.177 4.556 -0.000 0.000 0.370 440 H C 1.070 176.404 175.328 0.010 0.000 1.172 440 H CA 0.358 56.411 56.048 0.009 0.000 1.426 440 H CB 0.862 30.627 29.762 0.005 0.000 1.438 440 H HN 0.030 nan 8.280 nan 0.000 0.612 441 S N 0.891 116.638 115.700 0.079 0.000 2.475 441 S HA 0.168 4.638 4.470 -0.000 0.000 0.224 441 S C 1.392 176.018 174.600 0.044 0.000 1.042 441 S CA 0.140 58.353 58.200 0.022 0.000 0.935 441 S CB 0.308 63.524 63.200 0.026 0.000 0.801 441 S HN 0.898 nan 8.310 nan 0.000 0.509 442 G N 2.064 110.923 108.800 0.099 0.000 2.695 442 G HA2 0.540 4.500 3.960 -0.000 0.000 0.213 442 G HA3 0.540 4.500 3.960 -0.000 0.000 0.213 442 G C -2.683 172.286 174.900 0.116 0.000 1.406 442 G CA -1.077 44.073 45.100 0.083 0.000 1.049 442 G HN 0.174 nan 8.290 nan 0.000 0.573 443 P HA 0.409 nan 4.420 nan 0.000 0.272 443 P C -0.034 177.319 177.300 0.087 0.000 1.230 443 P CA -0.232 62.910 63.100 0.069 0.000 0.788 443 P CB 0.426 32.142 31.700 0.027 0.000 0.949 444 A N 3.125 125.988 122.820 0.070 0.000 2.587 444 A HA 0.143 4.463 4.320 -0.000 0.000 0.235 444 A C -1.568 175.963 177.584 -0.089 0.000 1.044 444 A CA -0.423 51.613 52.037 -0.002 0.000 0.754 444 A CB -1.204 17.799 19.000 0.005 0.000 0.968 444 A HN 0.454 nan 8.150 nan 0.000 0.509 445 P HA 0.205 nan 4.420 nan 0.000 0.214 445 P C 0.529 177.766 177.300 -0.105 0.000 1.826 445 P CA -0.107 62.902 63.100 -0.153 0.000 0.977 445 P CB 0.034 31.601 31.700 -0.222 0.000 1.930 446 L N 0.252 121.431 121.223 -0.073 0.000 2.275 446 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 446 L C 2.330 179.169 176.870 -0.051 0.000 1.119 446 L CA 1.380 56.187 54.840 -0.055 0.000 0.790 446 L CB -0.633 41.401 42.059 -0.041 0.000 0.919 446 L HN 0.146 nan 8.230 nan 0.000 0.443 447 A N -0.522 122.267 122.820 -0.052 0.000 2.021 447 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 447 A C 2.265 179.815 177.584 -0.057 0.000 1.163 447 A CA 0.681 52.689 52.037 -0.049 0.000 0.676 447 A CB -0.334 18.642 19.000 -0.041 0.000 0.818 447 A HN 0.157 nan 8.150 nan 0.000 0.453 448 V N 0.190 120.066 119.914 -0.064 0.000 2.261 448 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 448 V C 2.581 178.629 176.094 -0.077 0.000 1.047 448 V CA 2.253 64.511 62.300 -0.070 0.000 1.015 448 V CB -1.177 30.602 31.823 -0.073 0.000 0.642 448 V HN 0.624 nan 8.190 nan 0.000 0.446 449 Q N 0.003 119.763 119.800 -0.068 0.000 2.062 449 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 449 Q C 2.123 178.074 176.000 -0.081 0.000 0.996 449 Q CA 2.142 57.912 55.803 -0.056 0.000 0.859 449 Q CB -0.415 28.308 28.738 -0.026 0.000 0.920 449 Q HN 0.622 nan 8.270 nan 0.000 0.415 450 D N 0.280 120.638 120.400 -0.070 0.000 2.116 450 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 450 D C 1.768 178.008 176.300 -0.100 0.000 0.998 450 D CA 1.561 55.515 54.000 -0.078 0.000 0.836 450 D CB -0.348 40.418 40.800 -0.057 0.000 0.951 450 D HN 0.325 nan 8.370 nan 0.000 0.449 451 A N 0.267 123.032 122.820 -0.091 0.000 1.969 451 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 451 A C 2.362 179.871 177.584 -0.124 0.000 1.169 451 A CA 0.712 52.694 52.037 -0.092 0.000 0.635 451 A CB -0.541 18.415 19.000 -0.074 0.000 0.810 451 A HN 0.196 nan 8.150 nan 0.000 0.445 452 I N -0.500 119.976 120.570 -0.156 0.000 2.233 452 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 452 I C 2.954 178.896 176.117 -0.291 0.000 1.093 452 I CA 0.955 62.125 61.300 -0.217 0.000 1.380 452 I CB -0.348 37.519 38.000 -0.222 0.000 1.067 452 I HN 0.335 nan 8.210 nan 0.000 0.413 453 A N 0.319 122.934 122.820 -0.341 0.000 1.978 453 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 453 A C 2.384 179.810 177.584 -0.263 0.000 1.170 453 A CA 1.655 53.422 52.037 -0.450 0.000 0.636 453 A CB -0.812 17.956 19.000 -0.386 0.000 0.810 453 A HN 0.278 nan 8.150 nan 0.000 0.448 454 V N -0.419 119.393 119.914 -0.170 0.000 2.407 454 V HA -0.143 3.976 4.120 -0.000 0.000 0.245 454 V C 2.582 178.629 176.094 -0.078 0.000 1.041 454 V CA 2.068 64.307 62.300 -0.102 0.000 1.040 454 V CB -0.658 31.121 31.823 -0.073 0.000 0.671 454 V HN 0.609 nan 8.190 nan 0.000 0.455 455 R N 0.334 120.776 120.500 -0.096 0.000 2.189 455 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 455 R C 1.817 178.090 176.300 -0.045 0.000 1.092 455 R CA 1.467 57.529 56.100 -0.064 0.000 0.989 455 R CB -0.584 29.663 30.300 -0.089 0.000 0.876 455 R HN 0.495 nan 8.270 nan 0.000 0.457 456 L N -0.849 120.308 121.223 -0.109 0.000 2.446 456 L HA 0.207 4.547 4.340 -0.000 0.000 0.219 456 L C 2.009 178.896 176.870 0.028 0.000 1.116 456 L CA 0.691 55.480 54.840 -0.085 0.000 0.844 456 L CB -0.163 41.763 42.059 -0.221 0.000 0.970 456 L HN 0.239 nan 8.230 nan 0.000 0.457 457 A N -0.276 122.552 122.820 0.014 0.000 2.030 457 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 457 A C 2.060 179.741 177.584 0.163 0.000 1.164 457 A CA 0.544 52.636 52.037 0.091 0.000 0.697 457 A CB -0.069 18.934 19.000 0.004 0.000 0.827 457 A HN 0.346 nan 8.150 nan 0.000 0.457 458 E N -1.465 118.798 120.200 0.105 0.000 2.106 458 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 458 E C 1.659 178.320 176.600 0.102 0.000 0.984 458 E CA 1.218 57.673 56.400 0.091 0.000 0.806 458 E CB -0.263 29.471 29.700 0.058 0.000 0.750 458 E HN 0.775 nan 8.360 nan 0.000 0.458 459 Y N 0.765 121.071 120.300 0.009 0.000 2.293 459 Y HA -0.115 4.434 4.550 -0.000 0.000 0.291 459 Y C 2.040 177.950 175.900 0.015 0.000 1.137 459 Y CA 1.192 59.297 58.100 0.007 0.000 1.202 459 Y CB 0.107 38.569 38.460 0.003 0.000 0.990 459 Y HN -0.018 nan 8.280 nan 0.000 0.537 460 A N -0.959 121.984 122.820 0.205 0.000 2.251 460 A HA 0.372 4.692 4.320 -0.000 0.000 0.209 460 A C 1.729 179.285 177.584 -0.045 0.000 1.187 460 A CA 0.840 52.963 52.037 0.144 0.000 0.823 460 A CB -0.946 18.205 19.000 0.252 0.000 0.846 460 A HN 0.785 nan 8.150 nan 0.000 0.486 461 G N -1.480 107.263 108.800 -0.095 0.000 2.168 461 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.197 461 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.197 461 G C -0.055 174.673 174.900 -0.286 0.000 0.997 461 G CA 0.013 44.980 45.100 -0.222 0.000 0.658 461 G HN 0.639 nan 8.290 nan 0.000 0.513 462 H N 0.520 119.591 119.070 0.003 0.000 2.479 462 H HA 0.627 5.182 4.556 -0.000 0.000 0.335 462 H C 0.259 175.586 175.328 -0.002 0.000 1.142 462 H CA 0.138 56.187 56.048 0.002 0.000 1.234 462 H CB 1.396 31.163 29.762 0.008 0.000 1.503 462 H HN 0.458 nan 8.280 nan 0.000 0.510 463 Q N 0.164 120.033 119.800 0.115 0.000 2.495 463 Q HA 0.602 4.942 4.340 -0.000 0.000 0.283 463 Q C -0.573 175.461 176.000 0.057 0.000 1.097 463 Q CA -1.138 54.702 55.803 0.063 0.000 0.836 463 Q CB 1.641 30.397 28.738 0.031 0.000 1.426 463 Q HN 0.753 nan 8.270 nan 0.000 0.459 464 A N 1.955 124.793 122.820 0.031 0.000 2.488 464 A HA 0.400 4.720 4.320 -0.000 0.000 0.249 464 A C -1.815 175.781 177.584 0.019 0.000 1.083 464 A CA -0.797 51.251 52.037 0.019 0.000 0.768 464 A CB -0.798 18.207 19.000 0.008 0.000 1.017 464 A HN 0.513 nan 8.150 nan 0.000 0.496 465 P HA 0.614 nan 4.420 nan 0.000 0.273 465 P C -0.102 177.204 177.300 0.010 0.000 1.250 465 P CA 0.628 63.737 63.100 0.015 0.000 0.793 465 P CB 0.737 32.443 31.700 0.010 0.000 1.011 466 E N 0.000 120.206 120.200 0.010 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440