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 2xk1_1_C 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 GHQAP 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 0.000 176.387 176.300 0.146 0.000 0.893 1 R CA 0.000 56.161 56.100 0.101 0.000 0.921 1 R CB 0.000 30.347 30.300 0.079 0.000 0.687 2 L N 0.970 122.252 121.223 0.098 0.000 1.946 2 L HA 0.111 4.451 4.340 -0.000 0.000 0.213 2 L C 1.527 178.437 176.870 0.067 0.000 1.149 2 L CA 2.136 57.032 54.840 0.093 0.000 0.910 2 L CB -1.095 41.000 42.059 0.061 0.000 0.939 2 L HN 0.079 nan 8.230 nan 0.000 0.501 3 T N -1.313 113.267 114.554 0.043 0.000 4.282 3 T HA 0.042 4.392 4.350 -0.000 0.000 0.231 3 T C 0.643 175.362 174.700 0.031 0.000 1.004 3 T CA 0.074 62.190 62.100 0.027 0.000 1.146 3 T CB -0.200 68.679 68.868 0.019 0.000 1.285 3 T HN 0.406 nan 8.240 nan 0.000 0.971 4 E N 0.959 121.181 120.200 0.036 0.000 2.879 4 E HA 0.103 4.453 4.350 -0.000 0.000 0.206 4 E C 0.560 177.182 176.600 0.036 0.000 0.969 4 E CA -0.166 56.259 56.400 0.043 0.000 1.496 4 E CB 0.200 29.940 29.700 0.067 0.000 1.454 4 E HN 0.512 nan 8.360 nan 0.000 0.750 5 L N 2.508 123.738 121.223 0.013 0.000 2.511 5 L HA 0.156 4.496 4.340 -0.000 0.000 0.239 5 L C 1.072 177.970 176.870 0.047 0.000 1.400 5 L CA 0.576 55.409 54.840 -0.011 0.000 1.226 5 L CB -0.315 41.663 42.059 -0.134 0.000 1.475 5 L HN 0.091 nan 8.230 nan 0.000 0.428 6 R N -1.281 119.267 120.500 0.079 0.000 3.578 6 R HA 0.095 4.435 4.340 -0.000 0.000 0.131 6 R C 1.520 177.899 176.300 0.131 0.000 0.722 6 R CA -0.002 56.205 56.100 0.179 0.000 1.328 6 R CB 0.050 30.430 30.300 0.133 0.000 1.650 6 R HN 0.166 nan 8.270 nan 0.000 0.485 7 E N 1.546 121.788 120.200 0.071 0.000 2.219 7 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 7 E C 0.619 177.238 176.600 0.031 0.000 0.998 7 E CA 1.958 58.387 56.400 0.049 0.000 0.818 7 E CB -0.082 29.637 29.700 0.032 0.000 0.741 7 E HN 0.379 nan 8.360 nan 0.000 0.477 8 D N -0.071 120.338 120.400 0.016 0.000 2.144 8 D HA -0.048 4.592 4.640 -0.000 0.000 0.207 8 D C 1.767 178.043 176.300 -0.040 0.000 0.970 8 D CA 0.652 54.644 54.000 -0.013 0.000 0.853 8 D CB -0.200 40.586 40.800 -0.024 0.000 1.007 8 D HN 0.128 nan 8.370 nan 0.000 0.469 9 I N 1.278 121.804 120.570 -0.075 0.000 2.286 9 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 9 I C 1.592 177.646 176.117 -0.105 0.000 1.115 9 I CA 1.059 62.238 61.300 -0.200 0.000 1.392 9 I CB -0.239 37.469 38.000 -0.486 0.000 1.065 9 I HN -0.046 nan 8.210 nan 0.000 0.418 10 D N 1.208 121.654 120.400 0.077 0.000 2.149 10 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 10 D C 2.091 178.425 176.300 0.056 0.000 0.990 10 D CA 1.769 55.856 54.000 0.145 0.000 0.839 10 D CB 0.041 40.930 40.800 0.149 0.000 0.948 10 D HN 0.407 nan 8.370 nan 0.000 0.460 11 A N -0.027 122.806 122.820 0.022 0.000 2.195 11 A HA 0.128 4.448 4.320 -0.000 0.000 0.210 11 A C 2.164 179.739 177.584 -0.016 0.000 1.165 11 A CA -0.175 51.866 52.037 0.006 0.000 0.806 11 A CB -0.162 18.841 19.000 0.005 0.000 0.847 11 A HN 0.107 nan 8.150 nan 0.000 0.482 12 I N -0.107 120.440 120.570 -0.038 0.000 2.394 12 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 12 I C 1.720 177.808 176.117 -0.049 0.000 1.136 12 I CA 1.082 62.347 61.300 -0.058 0.000 1.425 12 I CB -0.050 37.891 38.000 -0.099 0.000 1.079 12 I HN 0.292 nan 8.210 nan 0.000 0.425 13 L N 0.221 121.422 121.223 -0.036 0.000 2.610 13 L HA -0.052 4.288 4.340 -0.000 0.000 0.232 13 L C 1.775 178.643 176.870 -0.005 0.000 1.149 13 L CA 0.302 55.131 54.840 -0.019 0.000 0.872 13 L CB -0.449 41.613 42.059 0.005 0.000 0.992 13 L HN 0.200 nan 8.230 nan 0.000 0.447 14 E N -0.342 119.855 120.200 -0.004 0.000 2.482 14 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 14 E C 0.436 177.033 176.600 -0.005 0.000 1.047 14 E CA 0.111 56.511 56.400 0.000 0.000 0.869 14 E CB -0.315 29.386 29.700 0.002 0.000 0.836 14 E HN 0.330 nan 8.360 nan 0.000 0.520 15 D N 2.174 122.566 120.400 -0.014 0.000 2.583 15 D HA -0.082 4.558 4.640 -0.000 0.000 0.232 15 D C -1.280 175.014 176.300 -0.010 0.000 1.128 15 D CA -0.964 53.026 54.000 -0.017 0.000 0.859 15 D CB 1.312 42.094 40.800 -0.030 0.000 1.169 15 D HN -0.061 nan 8.370 nan 0.000 0.481 16 P HA -0.161 nan 4.420 nan 0.000 0.218 16 P C 0.925 178.227 177.300 0.004 0.000 1.148 16 P CA 1.115 64.215 63.100 -0.000 0.000 0.822 16 P CB 0.061 31.760 31.700 -0.001 0.000 0.784 17 A N -0.400 122.417 122.820 -0.005 0.000 2.121 17 A HA -0.049 4.270 4.320 -0.000 0.000 0.218 17 A C 2.046 179.634 177.584 0.008 0.000 1.154 17 A CA 0.830 52.866 52.037 -0.002 0.000 0.679 17 A CB -1.284 17.700 19.000 -0.028 0.000 0.795 17 A HN 0.189 nan 8.150 nan 0.000 0.458 18 L N -0.023 121.200 121.223 0.000 0.000 2.728 18 L HA 0.137 4.477 4.340 -0.000 0.000 0.235 18 L C 0.378 177.266 176.870 0.031 0.000 1.197 18 L CA -0.231 54.617 54.840 0.013 0.000 0.992 18 L CB -0.103 41.953 42.059 -0.006 0.000 1.263 18 L HN 0.366 nan 8.230 nan 0.000 0.484 19 E N 0.681 120.901 120.200 0.032 0.000 2.292 19 E HA 0.139 4.489 4.350 -0.000 0.000 0.265 19 E C 1.179 177.801 176.600 0.036 0.000 1.093 19 E CA 0.677 57.095 56.400 0.029 0.000 0.922 19 E CB 0.273 29.988 29.700 0.023 0.000 1.001 19 E HN 0.401 nan 8.360 nan 0.000 0.444 20 G N 2.956 111.775 108.800 0.032 0.000 2.184 20 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 20 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 20 G C 0.244 175.169 174.900 0.041 0.000 0.975 20 G CA 0.095 45.214 45.100 0.031 0.000 0.642 20 G HN 0.753 nan 8.290 nan 0.000 0.536 21 A N 0.360 123.213 122.820 0.055 0.000 2.354 21 A HA 0.676 4.996 4.320 -0.000 0.000 0.281 21 A C 0.693 178.314 177.584 0.061 0.000 1.174 21 A CA 0.133 52.216 52.037 0.076 0.000 0.828 21 A CB 0.828 19.898 19.000 0.117 0.000 1.099 21 A HN 1.229 nan 8.150 nan 0.000 0.516 22 V N 2.782 122.731 119.914 0.058 0.000 2.572 22 V HA 0.319 4.439 4.120 -0.000 0.000 0.291 22 V C 0.509 176.640 176.094 0.061 0.000 1.039 22 V CA 0.267 62.597 62.300 0.051 0.000 1.055 22 V CB 0.672 32.521 31.823 0.043 0.000 0.969 22 V HN 0.800 nan 8.190 nan 0.000 0.482 23 S N 2.995 118.729 115.700 0.056 0.000 2.775 23 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 23 S C 0.334 174.974 174.600 0.066 0.000 1.156 23 S CA -0.482 57.752 58.200 0.057 0.000 1.081 23 S CB 1.529 64.755 63.200 0.043 0.000 1.054 23 S HN 1.118 nan 8.310 nan 0.000 0.482 24 G N 1.851 110.692 108.800 0.067 0.000 2.360 24 G HA2 0.494 4.454 3.960 -0.000 0.000 0.279 24 G HA3 0.494 4.454 3.960 -0.000 0.000 0.279 24 G C -0.593 174.362 174.900 0.091 0.000 1.189 24 G CA -0.221 44.926 45.100 0.078 0.000 0.941 24 G HN 0.580 nan 8.290 nan 0.000 0.445 25 V N 3.514 123.501 119.914 0.122 0.000 2.447 25 V HA 0.418 4.538 4.120 -0.000 0.000 0.292 25 V C -0.433 175.788 176.094 0.212 0.000 1.021 25 V CA -0.668 61.717 62.300 0.142 0.000 0.850 25 V CB 1.725 33.611 31.823 0.105 0.000 1.005 25 V HN 0.514 nan 8.190 nan 0.000 0.426 26 V N 5.580 125.600 119.914 0.177 0.000 2.577 26 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 26 V C -0.498 175.705 176.094 0.182 0.000 1.042 26 V CA -0.571 61.837 62.300 0.181 0.000 0.872 26 V CB 2.318 34.213 31.823 0.121 0.000 0.998 26 V HN 0.600 nan 8.190 nan 0.000 0.423 27 V N 5.509 125.538 119.914 0.192 0.000 2.495 27 V HA 0.735 4.855 4.120 -0.000 0.000 0.298 27 V C -0.392 175.776 176.094 0.123 0.000 1.031 27 V CA -0.560 61.840 62.300 0.166 0.000 0.871 27 V CB 1.886 33.776 31.823 0.111 0.000 0.988 27 V HN 0.596 nan 8.190 nan 0.000 0.432 28 V N 2.363 122.348 119.914 0.118 0.000 3.007 28 V HA 0.463 4.583 4.120 -0.000 0.000 0.311 28 V C -0.633 175.525 176.094 0.106 0.000 1.120 28 V CA -0.750 61.605 62.300 0.091 0.000 0.980 28 V CB 2.369 34.241 31.823 0.081 0.000 1.033 28 V HN 0.904 nan 8.190 nan 0.000 0.429 29 D N 1.283 121.738 120.400 0.092 0.000 2.345 29 D HA 0.201 4.841 4.640 -0.000 0.000 0.247 29 D C 0.811 177.176 176.300 0.107 0.000 1.108 29 D CA 0.158 54.226 54.000 0.113 0.000 0.894 29 D CB 2.187 43.052 40.800 0.108 0.000 1.203 29 D HN 0.631 nan 8.370 nan 0.000 0.430 30 T N 2.661 117.288 114.554 0.121 0.000 2.781 30 T HA -0.005 4.345 4.350 -0.000 0.000 0.252 30 T C 1.797 176.537 174.700 0.067 0.000 1.039 30 T CA 1.240 63.401 62.100 0.102 0.000 1.147 30 T CB -0.234 68.703 68.868 0.114 0.000 0.865 30 T HN 0.562 nan 8.240 nan 0.000 0.423 31 A N 1.729 124.588 122.820 0.065 0.000 1.883 31 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 31 A C 2.524 180.133 177.584 0.041 0.000 1.186 31 A CA 2.486 54.550 52.037 0.045 0.000 0.624 31 A CB -1.058 17.969 19.000 0.046 0.000 0.822 31 A HN 0.620 nan 8.150 nan 0.000 0.444 32 T N -5.366 109.220 114.554 0.053 0.000 2.990 32 T HA 0.418 4.768 4.350 -0.000 0.000 0.250 32 T C 1.208 175.934 174.700 0.043 0.000 1.041 32 T CA 1.128 63.256 62.100 0.046 0.000 1.010 32 T CB 0.086 68.986 68.868 0.053 0.000 1.003 32 T HN 1.878 nan 8.240 nan 0.000 0.499 33 G N 1.559 110.389 108.800 0.051 0.000 2.289 33 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.280 33 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.280 33 G C -0.378 174.547 174.900 0.042 0.000 1.089 33 G CA 0.185 45.313 45.100 0.046 0.000 0.939 33 G HN 0.831 nan 8.290 nan 0.000 0.499 34 E N -0.128 120.100 120.200 0.047 0.000 2.156 34 E HA 0.407 4.757 4.350 -0.000 0.000 0.279 34 E C 0.326 176.945 176.600 0.032 0.000 0.965 34 E CA -0.721 55.700 56.400 0.036 0.000 0.789 34 E CB 0.591 30.314 29.700 0.039 0.000 1.098 34 E HN 0.362 nan 8.360 nan 0.000 0.397 35 E N 4.766 124.979 120.200 0.023 0.000 1.985 35 E HA 0.011 4.361 4.350 -0.000 0.000 0.268 35 E C 0.214 176.819 176.600 0.008 0.000 1.219 35 E CA 0.071 56.483 56.400 0.020 0.000 0.942 35 E CB 0.245 29.950 29.700 0.008 0.000 1.045 35 E HN 0.643 nan 8.360 nan 0.000 0.413 36 L N 4.329 125.564 121.223 0.021 0.000 2.202 36 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 36 L C 0.129 177.045 176.870 0.076 0.000 1.083 36 L CA 0.315 55.158 54.840 0.006 0.000 0.790 36 L CB 0.183 42.213 42.059 -0.049 0.000 0.942 36 L HN 0.533 nan 8.230 nan 0.000 0.452 37 Y N -1.080 119.201 120.300 -0.032 0.000 2.513 37 Y HA 0.530 5.080 4.550 -0.000 0.000 0.340 37 Y C -0.831 175.068 175.900 -0.001 0.000 1.055 37 Y CA -0.912 57.175 58.100 -0.021 0.000 1.020 37 Y CB 2.127 40.569 38.460 -0.029 0.000 1.301 37 Y HN -0.262 nan 8.280 nan 0.000 0.453 38 S N 5.285 120.848 115.700 -0.228 0.000 2.603 38 S HA 0.642 5.112 4.470 -0.000 0.000 0.274 38 S C -1.867 172.641 174.600 -0.154 0.000 1.168 38 S CA -0.680 57.482 58.200 -0.064 0.000 0.963 38 S CB 0.874 64.040 63.200 -0.057 0.000 1.078 38 S HN 0.779 nan 8.310 nan 0.000 0.477 39 R N 3.523 124.047 120.500 0.040 0.000 2.695 39 R HA 0.273 4.612 4.340 -0.000 0.000 0.288 39 R C -1.134 175.209 176.300 0.072 0.000 1.344 39 R CA -0.202 55.927 56.100 0.049 0.000 1.005 39 R CB 0.308 30.709 30.300 0.169 0.000 1.233 39 R HN 0.772 nan 8.270 nan 0.000 0.442 40 D N 2.846 123.269 120.400 0.038 0.000 2.751 40 D HA -0.153 4.486 4.640 -0.000 0.000 0.233 40 D C 0.600 176.931 176.300 0.051 0.000 1.149 40 D CA 1.482 55.506 54.000 0.040 0.000 0.682 40 D CB -0.574 40.252 40.800 0.043 0.000 1.068 40 D HN 0.885 nan 8.370 nan 0.000 0.429 41 G N -0.263 108.569 108.800 0.053 0.000 3.061 41 G HA2 0.232 4.192 3.960 -0.000 0.000 0.208 41 G HA3 0.232 4.192 3.960 -0.000 0.000 0.208 41 G C 1.316 176.246 174.900 0.051 0.000 1.175 41 G CA 0.661 45.798 45.100 0.061 0.000 0.812 41 G HN 0.428 nan 8.290 nan 0.000 0.523 42 G N -0.612 108.211 108.800 0.039 0.000 3.104 42 G HA2 0.253 4.213 3.960 -0.000 0.000 0.237 42 G HA3 0.253 4.213 3.960 -0.000 0.000 0.237 42 G C 0.214 175.131 174.900 0.028 0.000 1.035 42 G CA -0.191 44.928 45.100 0.033 0.000 0.844 42 G HN 0.369 nan 8.290 nan 0.000 0.531 43 E N 1.307 121.525 120.200 0.030 0.000 2.313 43 E HA 0.334 4.684 4.350 -0.000 0.000 0.276 43 E C 0.135 176.751 176.600 0.027 0.000 1.031 43 E CA -0.259 56.157 56.400 0.026 0.000 0.857 43 E CB 0.443 30.159 29.700 0.027 0.000 1.040 43 E HN 0.234 nan 8.360 nan 0.000 0.408 44 Q N 3.556 123.367 119.800 0.018 0.000 2.288 44 Q HA 0.371 4.710 4.340 -0.000 0.000 0.258 44 Q C -0.505 175.503 176.000 0.014 0.000 0.957 44 Q CA -0.006 55.804 55.803 0.012 0.000 0.919 44 Q CB 0.784 29.522 28.738 -0.001 0.000 1.185 44 Q HN 0.485 nan 8.270 nan 0.000 0.408 45 L N 1.812 123.045 121.223 0.017 0.000 2.303 45 L HA 0.542 4.882 4.340 -0.000 0.000 0.256 45 L C -0.563 176.314 176.870 0.011 0.000 1.034 45 L CA -1.245 53.607 54.840 0.021 0.000 0.832 45 L CB 1.243 43.324 42.059 0.038 0.000 1.403 45 L HN 0.420 nan 8.230 nan 0.000 0.419 46 L N 1.830 123.059 121.223 0.010 0.000 2.367 46 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 46 L C -1.568 175.314 176.870 0.019 0.000 1.129 46 L CA -1.376 53.465 54.840 0.001 0.000 0.839 46 L CB 0.439 42.492 42.059 -0.010 0.000 1.133 46 L HN 0.402 nan 8.230 nan 0.000 0.453 47 P HA -0.027 nan 4.420 nan 0.000 0.235 47 P C 0.915 178.240 177.300 0.042 0.000 1.177 47 P CA 1.001 64.133 63.100 0.053 0.000 0.785 47 P CB 0.554 32.302 31.700 0.079 0.000 0.885 48 A N 0.672 123.503 122.820 0.018 0.000 5.395 48 A HA -0.311 4.009 4.320 -0.000 0.000 0.324 48 A C 1.921 179.520 177.584 0.025 0.000 1.813 48 A CA 2.215 54.253 52.037 0.001 0.000 0.714 48 A CB -2.421 16.571 19.000 -0.013 0.000 1.374 48 A HN 0.209 nan 8.150 nan 0.000 0.390 49 S N 0.881 116.586 115.700 0.009 0.000 2.603 49 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 49 S C 1.406 176.019 174.600 0.023 0.000 0.972 49 S CA 0.944 59.154 58.200 0.017 0.000 0.935 49 S CB -0.619 62.569 63.200 -0.020 0.000 0.769 49 S HN 0.587 nan 8.310 nan 0.000 0.536 50 N N 1.522 120.247 118.700 0.043 0.000 2.396 50 N HA 0.016 4.755 4.740 -0.000 0.000 0.180 50 N C 1.459 177.093 175.510 0.207 0.000 1.028 50 N CA 0.494 53.587 53.050 0.071 0.000 0.893 50 N CB -0.348 38.183 38.487 0.072 0.000 0.967 50 N HN 0.319 nan 8.380 nan 0.000 0.440 51 M N 1.339 121.070 119.600 0.219 0.000 2.149 51 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 51 M C 1.501 178.009 176.300 0.347 0.000 1.064 51 M CA 1.560 57.041 55.300 0.302 0.000 1.102 51 M CB -0.105 32.584 32.600 0.148 0.000 1.369 51 M HN -0.086 nan 8.290 nan 0.000 0.408 52 K N -0.249 120.286 120.400 0.226 0.000 2.074 52 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 52 K C 1.864 178.572 176.600 0.180 0.000 1.048 52 K CA 1.888 58.306 56.287 0.218 0.000 0.926 52 K CB -0.598 31.915 32.500 0.022 0.000 0.713 52 K HN 0.375 nan 8.250 nan 0.000 0.444 53 L N -0.121 121.151 121.223 0.081 0.000 2.010 53 L HA -0.284 4.056 4.340 -0.000 0.000 0.219 53 L C 2.280 179.259 176.870 0.182 0.000 1.077 53 L CA 1.714 56.587 54.840 0.055 0.000 0.773 53 L CB -0.562 41.437 42.059 -0.101 0.000 0.892 53 L HN 0.132 nan 8.230 nan 0.000 0.436 54 F N -0.693 119.371 119.950 0.190 0.000 2.102 54 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 54 F C 2.666 178.565 175.800 0.164 0.000 1.105 54 F CA 1.790 59.889 58.000 0.165 0.000 1.239 54 F CB -1.245 37.826 39.000 0.117 0.000 0.991 54 F HN -0.003 nan 8.300 nan 0.000 0.474 55 T N 0.078 114.866 114.554 0.389 0.000 2.684 55 T HA -0.253 4.096 4.350 -0.000 0.000 0.267 55 T C 2.281 177.152 174.700 0.286 0.000 1.036 55 T CA 1.479 63.765 62.100 0.310 0.000 1.148 55 T CB -0.812 68.268 68.868 0.353 0.000 0.863 55 T HN 0.315 nan 8.240 nan 0.000 0.436 56 A N 1.476 124.509 122.820 0.355 0.000 1.908 56 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 56 A C 2.649 180.319 177.584 0.143 0.000 1.181 56 A CA 2.021 54.258 52.037 0.335 0.000 0.627 56 A CB -1.166 18.021 19.000 0.313 0.000 0.818 56 A HN 0.531 nan 8.150 nan 0.000 0.445 57 A N -0.171 122.729 122.820 0.134 0.000 1.855 57 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 57 A C 2.564 180.045 177.584 -0.172 0.000 1.191 57 A CA 2.237 54.135 52.037 -0.232 0.000 0.613 57 A CB -1.223 17.708 19.000 -0.115 0.000 0.829 57 A HN 1.114 nan 8.150 nan 0.000 0.442 58 A N 0.024 122.857 122.820 0.022 0.000 1.873 58 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 58 A C 2.570 180.145 177.584 -0.015 0.000 1.193 58 A CA 2.742 54.805 52.037 0.043 0.000 0.629 58 A CB -1.332 17.727 19.000 0.100 0.000 0.826 58 A HN 1.254 nan 8.150 nan 0.000 0.447 59 A N -0.413 122.405 122.820 -0.004 0.000 1.903 59 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 59 A C 2.194 179.713 177.584 -0.109 0.000 1.191 59 A CA 1.900 53.925 52.037 -0.019 0.000 0.638 59 A CB -0.806 18.227 19.000 0.055 0.000 0.823 59 A HN 0.519 nan 8.150 nan 0.000 0.451 60 L N -0.654 120.401 121.223 -0.280 0.000 2.131 60 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 60 L C 2.691 179.427 176.870 -0.224 0.000 1.092 60 L CA 1.291 55.839 54.840 -0.487 0.000 0.759 60 L CB -0.456 40.745 42.059 -1.430 0.000 0.903 60 L HN 0.422 nan 8.230 nan 0.000 0.435 61 E N -0.194 119.961 120.200 -0.075 0.000 2.001 61 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 61 E C 2.345 178.972 176.600 0.046 0.000 0.994 61 E CA 1.344 57.812 56.400 0.113 0.000 0.815 61 E CB -0.569 29.207 29.700 0.126 0.000 0.770 61 E HN 0.251 nan 8.360 nan 0.000 0.453 62 V N 1.536 121.452 119.914 0.003 0.000 2.287 62 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 62 V C 2.518 178.571 176.094 -0.067 0.000 1.053 62 V CA 1.691 63.979 62.300 -0.020 0.000 1.027 62 V CB -0.510 31.297 31.823 -0.026 0.000 0.646 62 V HN 0.147 nan 8.190 nan 0.000 0.447 63 L N -0.829 120.319 121.223 -0.125 0.000 2.316 63 L HA 0.503 4.843 4.340 -0.000 0.000 0.207 63 L C 1.084 177.908 176.870 -0.078 0.000 1.070 63 L CA 0.827 55.504 54.840 -0.272 0.000 0.820 63 L CB -0.279 41.487 42.059 -0.487 0.000 0.992 63 L HN 0.536 nan 8.230 nan 0.000 0.466 64 G N -0.729 108.061 108.800 -0.017 0.000 2.788 64 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 64 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 64 G C 0.437 175.380 174.900 0.071 0.000 1.147 64 G CA -0.414 44.718 45.100 0.055 0.000 0.755 64 G HN 0.211 nan 8.290 nan 0.000 0.634 65 A N 0.671 123.544 122.820 0.089 0.000 2.245 65 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 65 A C 1.908 179.556 177.584 0.107 0.000 1.171 65 A CA 2.424 54.525 52.037 0.107 0.000 0.688 65 A CB -0.226 18.879 19.000 0.176 0.000 0.781 65 A HN 1.440 nan 8.150 nan 0.000 0.479 66 D N -2.461 117.996 120.400 0.095 0.000 2.433 66 D HA 0.048 4.687 4.640 -0.000 0.000 0.211 66 D C 0.423 176.742 176.300 0.031 0.000 1.114 66 D CA -0.406 53.631 54.000 0.062 0.000 0.837 66 D CB -0.866 39.963 40.800 0.048 0.000 0.984 66 D HN 0.506 nan 8.370 nan 0.000 0.505 67 H N 0.909 119.944 119.070 -0.057 0.000 2.897 67 H HA 0.327 4.883 4.556 -0.000 0.000 0.347 67 H C -0.522 174.667 175.328 -0.233 0.000 1.068 67 H CA 0.452 56.401 56.048 -0.166 0.000 1.426 67 H CB 0.837 30.469 29.762 -0.217 0.000 1.410 67 H HN -0.035 nan 8.280 nan 0.000 0.597 68 S N 3.398 118.543 115.700 -0.926 0.000 2.600 68 S HA 0.561 5.031 4.470 -0.000 0.000 0.300 68 S C -1.545 172.516 174.600 -0.898 0.000 1.087 68 S CA -0.738 57.096 58.200 -0.611 0.000 0.965 68 S CB 0.490 63.478 63.200 -0.353 0.000 1.089 68 S HN 0.468 nan 8.310 nan 0.000 0.496 69 F N 1.367 121.173 119.950 -0.241 0.000 2.467 69 F HA 0.632 5.159 4.527 -0.000 0.000 0.336 69 F C 0.893 176.589 175.800 -0.174 0.000 1.123 69 F CA -0.533 57.362 58.000 -0.173 0.000 0.964 69 F CB 1.982 40.929 39.000 -0.089 0.000 1.136 69 F HN 0.692 nan 8.300 nan 0.000 0.447 70 G N 1.120 109.877 108.800 -0.070 0.000 2.420 70 G HA2 0.664 4.624 3.960 -0.000 0.000 0.331 70 G HA3 0.664 4.624 3.960 -0.000 0.000 0.331 70 G C -1.128 173.708 174.900 -0.106 0.000 1.168 70 G CA -0.583 44.450 45.100 -0.111 0.000 0.936 70 G HN 0.517 nan 8.290 nan 0.000 0.479 71 T N 0.645 115.167 114.554 -0.053 0.000 2.907 71 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 71 T C -0.747 173.915 174.700 -0.064 0.000 1.043 71 T CA -0.587 61.470 62.100 -0.072 0.000 1.003 71 T CB 2.417 71.263 68.868 -0.036 0.000 1.084 71 T HN 0.568 nan 8.240 nan 0.000 0.483 72 E N 0.283 120.429 120.200 -0.090 0.000 2.413 72 E HA 0.625 4.975 4.350 -0.000 0.000 0.277 72 E C -1.607 174.958 176.600 -0.059 0.000 0.958 72 E CA -0.908 55.457 56.400 -0.058 0.000 0.779 72 E CB 2.495 32.157 29.700 -0.062 0.000 1.278 72 E HN 0.288 nan 8.360 nan 0.000 0.456 73 V N 1.111 121.023 119.914 -0.004 0.000 2.483 73 V HA 0.787 4.907 4.120 -0.000 0.000 0.297 73 V C -0.857 175.300 176.094 0.104 0.000 1.027 73 V CA -0.606 61.716 62.300 0.036 0.000 0.855 73 V CB 1.280 33.154 31.823 0.085 0.000 0.995 73 V HN 0.726 nan 8.190 nan 0.000 0.424 74 A N 3.749 126.674 122.820 0.174 0.000 2.398 74 A HA 0.986 5.306 4.320 -0.000 0.000 0.301 74 A C -0.198 177.608 177.584 0.370 0.000 1.041 74 A CA -0.036 52.133 52.037 0.220 0.000 0.711 74 A CB 1.744 20.859 19.000 0.192 0.000 1.240 74 A HN 1.284 nan 8.150 nan 0.000 0.420 75 A N 0.729 123.705 122.820 0.260 0.000 2.352 75 A HA 0.710 5.030 4.320 -0.000 0.000 0.299 75 A C 0.826 178.339 177.584 -0.119 0.000 1.160 75 A CA 0.123 52.307 52.037 0.244 0.000 0.933 75 A CB 0.530 19.604 19.000 0.124 0.000 1.387 75 A HN 0.914 nan 8.150 nan 0.000 0.487 76 E N -0.894 119.015 120.200 -0.485 0.000 2.274 76 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 76 E C 0.429 176.695 176.600 -0.557 0.000 0.996 76 E CA 1.037 56.766 56.400 -1.119 0.000 0.840 76 E CB 0.061 29.194 29.700 -0.944 0.000 0.772 76 E HN 0.701 nan 8.360 nan 0.000 0.491 77 S N -1.735 113.798 115.700 -0.277 0.000 2.727 77 S HA 0.658 5.128 4.470 -0.000 0.000 0.278 77 S C -0.603 173.949 174.600 -0.081 0.000 1.186 77 S CA -0.670 57.432 58.200 -0.164 0.000 0.836 77 S CB 0.965 64.078 63.200 -0.144 0.000 1.186 77 S HN 0.119 nan 8.310 nan 0.000 0.499 78 A N 1.578 124.365 122.820 -0.055 0.000 2.406 78 A HA 0.660 4.980 4.320 -0.000 0.000 0.243 78 A C -1.009 176.563 177.584 -0.021 0.000 1.082 78 A CA -1.070 50.952 52.037 -0.026 0.000 0.786 78 A CB -0.903 18.084 19.000 -0.022 0.000 1.029 78 A HN 0.736 nan 8.150 nan 0.000 0.495 79 P HA 0.203 nan 4.420 nan 0.000 0.197 79 P C 0.929 178.224 177.300 -0.007 0.000 1.076 79 P CA 1.606 64.705 63.100 -0.002 0.000 0.876 79 P CB -0.158 31.545 31.700 0.006 0.000 0.705 80 G N -1.425 107.372 108.800 -0.006 0.000 2.236 80 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.231 80 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.231 80 G C 0.670 175.568 174.900 -0.005 0.000 1.334 80 G CA 0.121 45.217 45.100 -0.007 0.000 1.137 80 G HN 0.321 nan 8.290 nan 0.000 0.482 81 R N 0.034 120.531 120.500 -0.005 0.000 2.092 81 R HA 0.051 4.391 4.340 -0.000 0.000 0.231 81 R C 2.692 178.990 176.300 -0.003 0.000 1.119 81 R CA 1.466 57.563 56.100 -0.004 0.000 0.970 81 R CB -0.217 30.081 30.300 -0.004 0.000 0.864 81 R HN 0.365 nan 8.270 nan 0.000 0.440 82 R N -0.597 119.902 120.500 -0.002 0.000 2.115 82 R HA -0.000 4.340 4.340 -0.000 0.000 0.226 82 R C 0.901 177.201 176.300 0.000 0.000 1.100 82 R CA 1.095 57.195 56.100 -0.000 0.000 0.980 82 R CB -0.229 30.071 30.300 0.001 0.000 0.875 82 R HN 0.510 nan 8.270 nan 0.000 0.445 83 G N 1.891 110.692 108.800 0.001 0.000 2.248 83 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.263 83 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.263 83 G C -0.543 174.360 174.900 0.006 0.000 1.082 83 G CA 0.220 45.322 45.100 0.002 0.000 0.863 83 G HN 0.370 nan 8.290 nan 0.000 0.495 84 E N -1.360 118.845 120.200 0.008 0.000 2.331 84 E HA 0.626 4.975 4.350 -0.000 0.000 0.275 84 E C 0.067 176.678 176.600 0.018 0.000 0.895 84 E CA -0.757 55.651 56.400 0.013 0.000 0.753 84 E CB 3.014 32.720 29.700 0.011 0.000 1.216 84 E HN 0.772 nan 8.360 nan 0.000 0.434 85 V N -1.005 118.927 119.914 0.031 0.000 3.113 85 V HA 0.432 4.552 4.120 -0.000 0.000 0.316 85 V C 0.512 176.642 176.094 0.060 0.000 1.125 85 V CA -0.848 61.478 62.300 0.044 0.000 1.026 85 V CB 1.860 33.720 31.823 0.061 0.000 1.080 85 V HN 0.632 nan 8.190 nan 0.000 0.444 86 Q N 0.303 120.153 119.800 0.083 0.000 1.157 86 Q HA 0.151 4.491 4.340 -0.000 0.000 0.800 86 Q C -0.237 175.843 176.000 0.133 0.000 0.884 86 Q CA 0.698 56.567 55.803 0.109 0.000 0.870 86 Q CB -0.089 28.733 28.738 0.141 0.000 1.616 86 Q HN 0.898 nan 8.270 nan 0.000 0.235 87 D N 0.924 121.454 120.400 0.216 0.000 2.302 87 D HA 0.292 4.932 4.640 -0.000 0.000 0.248 87 D C -0.243 176.214 176.300 0.262 0.000 1.094 87 D CA 0.079 54.200 54.000 0.202 0.000 0.897 87 D CB 0.816 41.802 40.800 0.310 0.000 1.200 87 D HN 0.163 nan 8.370 nan 0.000 0.429 88 L N 1.572 122.869 121.223 0.123 0.000 2.352 88 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 88 L C -0.959 175.944 176.870 0.055 0.000 1.034 88 L CA -0.870 54.087 54.840 0.195 0.000 0.806 88 L CB 0.997 43.154 42.059 0.163 0.000 1.244 88 L HN 0.330 nan 8.230 nan 0.000 0.447 89 Y N 2.111 122.501 120.300 0.151 0.000 2.327 89 Y HA 0.302 4.852 4.550 -0.000 0.000 0.325 89 Y C -0.372 175.511 175.900 -0.028 0.000 0.999 89 Y CA -0.684 57.466 58.100 0.083 0.000 1.195 89 Y CB 1.801 40.299 38.460 0.063 0.000 1.132 89 Y HN 0.249 nan 8.280 nan 0.000 0.455 90 L N 5.658 126.863 121.223 -0.031 0.000 2.315 90 L HA 0.600 4.939 4.340 -0.000 0.000 0.283 90 L C -0.980 175.828 176.870 -0.102 0.000 1.089 90 L CA -0.331 54.365 54.840 -0.239 0.000 0.833 90 L CB 0.350 42.108 42.059 -0.501 0.000 1.170 90 L HN 0.380 nan 8.230 nan 0.000 0.442 91 V N 5.806 125.658 119.914 -0.104 0.000 2.340 91 V HA 0.586 4.706 4.120 -0.000 0.000 0.277 91 V C 0.747 176.763 176.094 -0.129 0.000 1.017 91 V CA -0.396 61.861 62.300 -0.072 0.000 0.820 91 V CB 0.757 32.550 31.823 -0.050 0.000 1.028 91 V HN 0.902 nan 8.190 nan 0.000 0.436 92 G N 3.144 111.867 108.800 -0.127 0.000 2.476 92 G HA2 0.564 4.524 3.960 -0.000 0.000 0.269 92 G HA3 0.564 4.524 3.960 -0.000 0.000 0.269 92 G C 0.005 174.763 174.900 -0.237 0.000 1.195 92 G CA -0.611 44.395 45.100 -0.157 0.000 0.843 92 G HN 0.653 nan 8.290 nan 0.000 0.545 93 R N 0.723 121.031 120.500 -0.320 0.000 2.782 93 R HA 0.348 4.688 4.340 -0.000 0.000 0.293 93 R C 0.832 176.980 176.300 -0.253 0.000 1.333 93 R CA 0.179 55.916 56.100 -0.605 0.000 1.479 93 R CB 0.840 30.504 30.300 -1.061 0.000 1.306 93 R HN 1.018 nan 8.270 nan 0.000 0.654 94 G N 1.271 109.932 108.800 -0.231 0.000 2.160 94 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 94 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 94 G C -0.279 174.596 174.900 -0.042 0.000 1.008 94 G CA 0.409 45.436 45.100 -0.121 0.000 0.724 94 G HN 0.519 nan 8.290 nan 0.000 0.514 95 D N 0.432 120.782 120.400 -0.084 0.000 2.358 95 D HA 0.418 5.058 4.640 -0.000 0.000 0.258 95 D C -0.621 175.514 176.300 -0.274 0.000 1.223 95 D CA -1.981 51.884 54.000 -0.225 0.000 0.886 95 D CB 1.104 41.879 40.800 -0.042 0.000 1.120 95 D HN 0.175 nan 8.370 nan 0.000 0.482 96 P HA 0.095 nan 4.420 nan 0.000 0.262 96 P C 0.363 177.503 177.300 -0.267 0.000 1.304 96 P CA 0.296 63.215 63.100 -0.301 0.000 0.859 96 P CB 0.213 31.615 31.700 -0.496 0.000 1.310 97 T N -4.417 109.893 114.554 -0.406 0.000 3.145 97 T HA 0.225 4.575 4.350 -0.000 0.000 0.281 97 T C 0.399 174.921 174.700 -0.296 0.000 1.003 97 T CA -0.382 61.301 62.100 -0.696 0.000 0.901 97 T CB -0.476 67.653 68.868 -1.231 0.000 1.112 97 T HN -0.033 nan 8.240 nan 0.000 0.535 98 L N 3.811 124.961 121.223 -0.122 0.000 2.513 98 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 98 L C 0.489 177.366 176.870 0.011 0.000 1.187 98 L CA -0.011 54.780 54.840 -0.081 0.000 0.895 98 L CB 0.528 42.537 42.059 -0.083 0.000 1.147 98 L HN 0.576 nan 8.230 nan 0.000 0.483 99 S N 3.300 118.995 115.700 -0.008 0.000 2.798 99 S HA 0.621 5.091 4.470 -0.000 0.000 0.312 99 S C 0.711 175.315 174.600 0.006 0.000 1.122 99 S CA -0.202 58.034 58.200 0.060 0.000 0.949 99 S CB 1.590 64.859 63.200 0.116 0.000 1.235 99 S HN 0.673 nan 8.310 nan 0.000 0.552 100 A N 0.375 123.208 122.820 0.022 0.000 1.929 100 A HA 0.083 4.402 4.320 -0.000 0.000 0.216 100 A C 1.931 179.515 177.584 -0.001 0.000 1.176 100 A CA 1.460 53.504 52.037 0.011 0.000 0.628 100 A CB -1.323 17.685 19.000 0.014 0.000 0.816 100 A HN 0.888 nan 8.150 nan 0.000 0.444 101 E N 0.660 120.860 120.200 0.000 0.000 2.065 101 E HA -0.218 4.132 4.350 -0.000 0.000 0.201 101 E C 1.557 178.148 176.600 -0.015 0.000 1.016 101 E CA 1.799 58.200 56.400 0.002 0.000 0.818 101 E CB -0.181 29.531 29.700 0.021 0.000 0.749 101 E HN 0.573 nan 8.360 nan 0.000 0.453 102 D N 0.104 120.459 120.400 -0.076 0.000 2.104 102 D HA -0.161 4.478 4.640 -0.000 0.000 0.194 102 D C 2.079 178.322 176.300 -0.095 0.000 0.994 102 D CA 0.845 54.711 54.000 -0.223 0.000 0.830 102 D CB -0.317 40.105 40.800 -0.631 0.000 0.959 102 D HN 0.186 nan 8.370 nan 0.000 0.452 103 L N 0.491 121.702 121.223 -0.022 0.000 2.079 103 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 103 L C 2.168 179.116 176.870 0.129 0.000 1.081 103 L CA 1.261 56.185 54.840 0.139 0.000 0.752 103 L CB -0.295 41.859 42.059 0.159 0.000 0.896 103 L HN -0.010 nan 8.230 nan 0.000 0.433 104 D N -0.329 120.088 120.400 0.028 0.000 2.103 104 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 104 D C 2.214 178.519 176.300 0.007 0.000 0.978 104 D CA 1.195 55.186 54.000 -0.015 0.000 0.829 104 D CB 0.117 40.903 40.800 -0.023 0.000 0.981 104 D HN 0.219 nan 8.370 nan 0.000 0.464 105 A N 0.417 123.257 122.820 0.032 0.000 1.903 105 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 105 A C 2.321 179.951 177.584 0.076 0.000 1.191 105 A CA 1.914 53.983 52.037 0.054 0.000 0.638 105 A CB -0.766 18.284 19.000 0.083 0.000 0.823 105 A HN 0.370 nan 8.150 nan 0.000 0.451 106 M N -0.920 118.753 119.600 0.122 0.000 2.296 106 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 106 M C 2.474 178.870 176.300 0.160 0.000 1.064 106 M CA 1.097 56.506 55.300 0.183 0.000 1.109 106 M CB -0.478 32.289 32.600 0.278 0.000 1.396 106 M HN 0.539 nan 8.290 nan 0.000 0.430 107 A N 0.753 123.597 122.820 0.041 0.000 1.841 107 A HA -0.019 4.300 4.320 -0.000 0.000 0.214 107 A C 2.406 179.947 177.584 -0.072 0.000 1.195 107 A CA 1.836 53.787 52.037 -0.143 0.000 0.611 107 A CB -1.086 17.744 19.000 -0.283 0.000 0.835 107 A HN 0.449 nan 8.150 nan 0.000 0.443 108 A N -0.484 122.309 122.820 -0.044 0.000 1.948 108 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 108 A C 1.802 179.385 177.584 -0.001 0.000 1.177 108 A CA 1.766 53.788 52.037 -0.024 0.000 0.636 108 A CB -0.599 18.392 19.000 -0.014 0.000 0.815 108 A HN 0.633 nan 8.150 nan 0.000 0.449 109 E N -0.562 119.651 120.200 0.022 0.000 2.405 109 E HA 0.126 4.476 4.350 -0.000 0.000 0.194 109 E C 0.649 177.278 176.600 0.048 0.000 1.149 109 E CA 0.087 56.511 56.400 0.039 0.000 0.933 109 E CB -0.066 29.669 29.700 0.058 0.000 1.028 109 E HN 0.407 nan 8.360 nan 0.000 0.487 110 V N -0.741 119.192 119.914 0.033 0.000 3.058 110 V HA 0.094 4.214 4.120 -0.000 0.000 0.233 110 V C 1.661 177.765 176.094 0.017 0.000 1.255 110 V CA 0.968 63.292 62.300 0.040 0.000 1.267 110 V CB 0.544 32.397 31.823 0.049 0.000 1.049 110 V HN 0.294 nan 8.190 nan 0.000 0.486 111 A N -0.104 122.714 122.820 -0.002 0.000 2.235 111 A HA 0.362 4.682 4.320 -0.000 0.000 0.208 111 A C 1.961 179.545 177.584 -0.001 0.000 1.172 111 A CA 1.399 53.432 52.037 -0.006 0.000 0.786 111 A CB -0.311 18.678 19.000 -0.019 0.000 0.804 111 A HN 0.539 nan 8.150 nan 0.000 0.479 112 A N -0.141 122.682 122.820 0.005 0.000 1.973 112 A HA 0.123 4.443 4.320 -0.000 0.000 0.210 112 A C 2.224 179.813 177.584 0.010 0.000 1.200 112 A CA 1.294 53.335 52.037 0.007 0.000 0.707 112 A CB -0.516 18.490 19.000 0.010 0.000 0.862 112 A HN 0.820 nan 8.150 nan 0.000 0.461 113 S N -2.045 113.665 115.700 0.016 0.000 2.562 113 S HA 0.406 4.876 4.470 -0.000 0.000 0.221 113 S C 1.294 175.902 174.600 0.013 0.000 0.975 113 S CA 1.124 59.334 58.200 0.017 0.000 0.918 113 S CB 0.255 63.471 63.200 0.026 0.000 0.772 113 S HN 1.655 nan 8.310 nan 0.000 0.531 114 G N 0.053 108.860 108.800 0.011 0.000 2.624 114 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.190 114 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.190 114 G C -0.038 174.867 174.900 0.008 0.000 1.008 114 G CA -0.195 44.910 45.100 0.007 0.000 0.731 114 G HN 0.465 nan 8.290 nan 0.000 0.478 115 V N 1.006 120.929 119.914 0.014 0.000 3.003 115 V HA 0.672 4.791 4.120 -0.000 0.000 0.305 115 V C 1.399 177.496 176.094 0.005 0.000 1.078 115 V CA 0.967 63.276 62.300 0.015 0.000 1.083 115 V CB 1.619 33.460 31.823 0.030 0.000 1.039 115 V HN 0.443 nan 8.190 nan 0.000 0.481 116 R N 0.076 120.577 120.500 0.002 0.000 2.729 116 R HA 0.190 4.530 4.340 -0.000 0.000 0.215 116 R C -0.340 175.955 176.300 -0.008 0.000 0.970 116 R CA 0.278 56.374 56.100 -0.006 0.000 1.196 116 R CB 1.123 31.420 30.300 -0.005 0.000 1.670 116 R HN 0.789 nan 8.270 nan 0.000 0.575 117 T N 0.698 115.252 114.554 -0.001 0.000 2.993 117 T HA 0.361 4.711 4.350 -0.000 0.000 0.312 117 T C -1.350 173.355 174.700 0.009 0.000 1.115 117 T CA -0.423 61.676 62.100 -0.001 0.000 1.027 117 T CB 2.606 71.474 68.868 -0.001 0.000 1.116 117 T HN -0.134 nan 8.240 nan 0.000 0.464 118 V N 3.749 123.668 119.914 0.007 0.000 2.350 118 V HA 0.338 4.458 4.120 -0.000 0.000 0.276 118 V C 1.363 177.464 176.094 0.012 0.000 1.028 118 V CA -0.534 61.776 62.300 0.018 0.000 0.860 118 V CB 1.152 32.984 31.823 0.016 0.000 0.990 118 V HN 0.732 nan 8.190 nan 0.000 0.453 119 R N 3.728 124.242 120.500 0.023 0.000 2.148 119 R HA 0.136 4.476 4.340 -0.000 0.000 0.223 119 R C 1.029 177.340 176.300 0.018 0.000 1.088 119 R CA 1.275 57.388 56.100 0.021 0.000 0.985 119 R CB -0.064 30.255 30.300 0.031 0.000 0.880 119 R HN 0.856 nan 8.270 nan 0.000 0.451 120 G N -1.605 107.206 108.800 0.017 0.000 3.252 120 G HA2 0.228 4.187 3.960 -0.000 0.000 0.181 120 G HA3 0.228 4.187 3.960 -0.000 0.000 0.181 120 G C -1.199 173.656 174.900 -0.074 0.000 1.187 120 G CA -0.612 44.487 45.100 -0.001 0.000 0.886 120 G HN 0.095 nan 8.290 nan 0.000 0.615 121 D N 0.331 120.631 120.400 -0.166 0.000 2.304 121 D HA 0.287 4.926 4.640 -0.000 0.000 0.247 121 D C -0.474 175.538 176.300 -0.480 0.000 1.089 121 D CA -0.171 53.584 54.000 -0.409 0.000 0.910 121 D CB 2.487 42.821 40.800 -0.777 0.000 1.199 121 D HN 0.150 nan 8.370 nan 0.000 0.426 122 L N 3.079 124.062 121.223 -0.399 0.000 2.268 122 L HA 0.212 4.552 4.340 -0.000 0.000 0.289 122 L C -1.414 175.230 176.870 -0.376 0.000 1.064 122 L CA -0.392 54.286 54.840 -0.269 0.000 0.824 122 L CB -0.325 41.695 42.059 -0.065 0.000 1.202 122 L HN 0.204 nan 8.230 nan 0.000 0.433 123 Y N 4.092 124.215 120.300 -0.294 0.000 2.327 123 Y HA 0.603 5.153 4.550 -0.000 0.000 0.336 123 Y C 0.799 176.592 175.900 -0.178 0.000 1.035 123 Y CA -0.578 57.341 58.100 -0.303 0.000 1.165 123 Y CB 1.350 39.459 38.460 -0.586 0.000 1.181 123 Y HN 0.759 nan 8.280 nan 0.000 0.494 124 A N 3.136 126.002 122.820 0.077 0.000 2.354 124 A HA 0.234 4.554 4.320 -0.000 0.000 0.281 124 A C -0.598 177.033 177.584 0.079 0.000 1.174 124 A CA -0.419 51.645 52.037 0.044 0.000 0.828 124 A CB 0.084 19.104 19.000 0.033 0.000 1.099 124 A HN 0.685 nan 8.150 nan 0.000 0.516 125 D N 2.631 123.070 120.400 0.065 0.000 2.454 125 D HA 0.223 4.863 4.640 -0.000 0.000 0.247 125 D C -0.466 175.856 176.300 0.036 0.000 1.129 125 D CA -0.370 53.679 54.000 0.082 0.000 0.877 125 D CB 1.147 42.033 40.800 0.143 0.000 1.082 125 D HN 0.530 nan 8.370 nan 0.000 0.537 126 D N 1.279 121.704 120.400 0.042 0.000 2.402 126 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 126 D C 1.198 177.538 176.300 0.066 0.000 1.128 126 D CA -0.051 53.970 54.000 0.035 0.000 0.833 126 D CB -0.274 40.550 40.800 0.040 0.000 0.971 126 D HN 0.283 nan 8.370 nan 0.000 0.503 127 T N -3.644 110.952 114.554 0.070 0.000 3.118 127 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 127 T C 1.360 176.128 174.700 0.114 0.000 1.166 127 T CA 0.102 62.243 62.100 0.068 0.000 1.073 127 T CB -1.064 67.824 68.868 0.034 0.000 0.884 127 T HN 0.451 nan 8.240 nan 0.000 0.550 128 W N 0.689 121.929 121.300 -0.102 0.000 2.402 128 W HA 0.124 4.784 4.660 -0.000 0.000 0.286 128 W C -0.563 175.957 176.519 0.001 0.000 1.221 128 W CA 0.042 57.304 57.345 -0.139 0.000 1.257 128 W CB 0.121 29.395 29.460 -0.311 0.000 1.120 128 W HN 0.148 nan 8.180 nan 0.000 0.551 129 F N 1.383 121.292 119.950 -0.068 0.000 2.557 129 F HA 0.189 4.716 4.527 -0.000 0.000 0.336 129 F C 0.521 176.222 175.800 -0.164 0.000 1.058 129 F CA -2.038 55.840 58.000 -0.203 0.000 0.988 129 F CB -0.208 38.696 39.000 -0.160 0.000 1.275 129 F HN -0.240 nan 8.300 nan 0.000 0.488 130 D N -1.294 119.097 120.400 -0.015 0.000 2.360 130 D HA 0.113 4.752 4.640 -0.000 0.000 0.242 130 D C 0.645 176.928 176.300 -0.027 0.000 1.184 130 D CA -0.188 53.779 54.000 -0.055 0.000 0.930 130 D CB 0.476 41.213 40.800 -0.106 0.000 1.161 130 D HN 0.365 nan 8.370 nan 0.000 0.447 131 S N -1.066 114.631 115.700 -0.005 0.000 2.634 131 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 131 S C 0.320 174.938 174.600 0.031 0.000 0.952 131 S CA -0.569 57.644 58.200 0.021 0.000 0.930 131 S CB -0.552 62.667 63.200 0.031 0.000 0.780 131 S HN 0.472 nan 8.310 nan 0.000 0.498 132 E N 2.004 122.214 120.200 0.017 0.000 2.159 132 E HA 0.128 4.478 4.350 -0.000 0.000 0.272 132 E C 0.664 177.349 176.600 0.142 0.000 1.138 132 E CA -0.234 56.234 56.400 0.112 0.000 0.915 132 E CB 0.418 30.251 29.700 0.222 0.000 1.028 132 E HN 0.393 nan 8.360 nan 0.000 0.423 133 R N 2.226 122.821 120.500 0.159 0.000 2.127 133 R HA 0.127 4.467 4.340 -0.000 0.000 0.217 133 R C 0.579 177.034 176.300 0.258 0.000 1.074 133 R CA 0.672 56.877 56.100 0.176 0.000 0.991 133 R CB 0.063 30.447 30.300 0.141 0.000 0.895 133 R HN 0.357 nan 8.270 nan 0.000 0.450 134 L N 0.166 121.476 121.223 0.145 0.000 2.401 134 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 134 L C -0.321 176.132 176.870 -0.696 0.000 0.991 134 L CA -1.071 53.649 54.840 -0.201 0.000 0.818 134 L CB 2.541 44.632 42.059 0.053 0.000 1.321 134 L HN -0.350 nan 8.230 nan 0.000 0.413 135 V N 1.563 120.453 119.914 -1.707 0.000 2.599 135 V HA -0.083 4.037 4.120 -0.000 0.000 0.300 135 V C 0.822 176.392 176.094 -0.873 0.000 1.034 135 V CA 0.307 61.616 62.300 -1.652 0.000 1.115 135 V CB 0.734 31.343 31.823 -2.023 0.000 0.934 135 V HN 1.029 nan 8.190 nan 0.000 0.485 136 D N 4.066 124.123 120.400 -0.572 0.000 2.248 136 D HA -0.308 4.331 4.640 -0.000 0.000 0.189 136 D C 1.093 177.288 176.300 -0.175 0.000 1.011 136 D CA 2.065 55.895 54.000 -0.285 0.000 0.868 136 D CB -0.340 40.328 40.800 -0.219 0.000 0.931 136 D HN 0.805 nan 8.370 nan 0.000 0.449 137 D N -1.971 118.315 120.400 -0.191 0.000 2.388 137 D HA -0.006 4.634 4.640 -0.000 0.000 0.221 137 D C -0.289 176.029 176.300 0.030 0.000 1.133 137 D CA -0.720 53.246 54.000 -0.057 0.000 0.831 137 D CB -0.649 40.106 40.800 -0.074 0.000 0.962 137 D HN 0.231 nan 8.370 nan 0.000 0.502 138 W N 0.744 121.936 121.300 -0.179 0.000 2.126 138 W HA 0.279 4.939 4.660 -0.000 0.000 0.346 138 W C 0.509 177.011 176.519 -0.028 0.000 1.279 138 W CA -1.120 56.112 57.345 -0.189 0.000 1.259 138 W CB 0.108 29.509 29.460 -0.098 0.000 1.133 138 W HN -0.046 nan 8.180 nan 0.000 0.592 139 W N 3.122 124.550 121.300 0.214 0.000 2.331 139 W HA 0.208 4.868 4.660 -0.000 0.000 0.306 139 W C -1.306 175.286 176.519 0.121 0.000 1.162 139 W CA -2.662 54.760 57.345 0.130 0.000 1.232 139 W CB -0.003 29.510 29.460 0.089 0.000 1.235 139 W HN 0.201 nan 8.180 nan 0.000 0.479 140 P HA -0.240 nan 4.420 nan 0.000 0.218 140 P C 1.275 178.666 177.300 0.153 0.000 1.146 140 P CA 1.967 65.184 63.100 0.195 0.000 0.820 140 P CB 0.289 32.073 31.700 0.141 0.000 0.778 141 E N -1.454 118.853 120.200 0.179 0.000 2.489 141 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 141 E C 0.405 177.148 176.600 0.239 0.000 1.057 141 E CA 0.614 57.101 56.400 0.145 0.000 0.866 141 E CB -0.471 29.277 29.700 0.079 0.000 0.916 141 E HN 0.288 nan 8.360 nan 0.000 0.500 142 D N 1.545 122.103 120.400 0.262 0.000 2.367 142 D HA 0.009 4.649 4.640 -0.000 0.000 0.207 142 D C 1.393 177.698 176.300 0.009 0.000 1.034 142 D CA 0.078 54.226 54.000 0.247 0.000 0.861 142 D CB 0.205 41.135 40.800 0.217 0.000 0.943 142 D HN 0.293 nan 8.370 nan 0.000 0.515 143 E N 0.939 121.142 120.200 0.005 0.000 2.171 143 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 143 E C -0.774 175.732 176.600 -0.157 0.000 0.997 143 E CA 1.026 57.399 56.400 -0.044 0.000 0.810 143 E CB -0.577 29.142 29.700 0.032 0.000 0.738 143 E HN 0.349 nan 8.360 nan 0.000 0.467 144 P HA -0.120 nan 4.420 nan 0.000 0.224 144 P C -0.102 176.912 177.300 -0.475 0.000 1.157 144 P CA 0.921 63.773 63.100 -0.413 0.000 0.799 144 P CB -0.049 31.321 31.700 -0.551 0.000 0.809 145 Y N -0.209 119.964 120.300 -0.212 0.000 2.326 145 Y HA 0.343 4.893 4.550 -0.000 0.000 0.333 145 Y C 2.158 177.841 175.900 -0.361 0.000 1.240 145 Y CA -0.513 57.421 58.100 -0.277 0.000 1.365 145 Y CB 0.036 38.305 38.460 -0.319 0.000 1.289 145 Y HN -0.134 nan 8.280 nan 0.000 0.548 146 A N 2.162 124.960 122.820 -0.036 0.000 2.067 146 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 146 A C 1.554 179.128 177.584 -0.017 0.000 1.158 146 A CA 1.217 53.241 52.037 -0.021 0.000 0.661 146 A CB -1.207 17.815 19.000 0.037 0.000 0.801 146 A HN 0.930 nan 8.150 nan 0.000 0.452 147 Y N -2.615 117.698 120.300 0.021 0.000 2.578 147 Y HA 0.332 4.882 4.550 -0.000 0.000 0.297 147 Y C 1.565 177.380 175.900 -0.142 0.000 1.176 147 Y CA 0.682 58.754 58.100 -0.046 0.000 1.315 147 Y CB -0.389 38.031 38.460 -0.067 0.000 1.031 147 Y HN 0.154 nan 8.280 nan 0.000 0.524 148 S N 0.485 115.937 115.700 -0.413 0.000 2.651 148 S HA 0.603 5.073 4.470 -0.000 0.000 0.246 148 S C 0.467 175.039 174.600 -0.047 0.000 1.039 148 S CA -0.300 57.682 58.200 -0.363 0.000 1.013 148 S CB -0.949 61.994 63.200 -0.428 0.000 0.861 148 S HN 0.554 nan 8.310 nan 0.000 0.485 149 A N 1.612 124.445 122.820 0.021 0.000 2.520 149 A HA 0.322 4.642 4.320 -0.000 0.000 0.245 149 A C 0.457 178.177 177.584 0.228 0.000 1.072 149 A CA 0.035 52.135 52.037 0.105 0.000 0.761 149 A CB 0.078 19.137 19.000 0.098 0.000 1.004 149 A HN 0.693 nan 8.150 nan 0.000 0.499 150 Q N 0.679 120.603 119.800 0.207 0.000 2.369 150 Q HA 0.090 4.430 4.340 -0.000 0.000 0.295 150 Q C -0.222 175.910 176.000 0.220 0.000 1.075 150 Q CA 0.300 56.242 55.803 0.233 0.000 0.941 150 Q CB 0.415 29.255 28.738 0.169 0.000 1.260 150 Q HN 0.571 nan 8.270 nan 0.000 0.417 151 I N 1.269 121.972 120.570 0.221 0.000 2.385 151 I HA 0.347 4.517 4.170 -0.000 0.000 0.294 151 I C 0.171 176.360 176.117 0.120 0.000 0.988 151 I CA 0.130 61.525 61.300 0.159 0.000 1.265 151 I CB 1.229 39.282 38.000 0.089 0.000 1.388 151 I HN 0.525 nan 8.210 nan 0.000 0.480 152 S N 3.120 118.925 115.700 0.175 0.000 2.558 152 S HA 0.573 5.043 4.470 -0.000 0.000 0.277 152 S C 0.370 175.109 174.600 0.231 0.000 1.143 152 S CA 0.063 58.379 58.200 0.193 0.000 0.865 152 S CB 1.527 64.797 63.200 0.116 0.000 1.102 152 S HN 0.720 nan 8.310 nan 0.000 0.454 153 A N 3.053 125.942 122.820 0.115 0.000 2.015 153 A HA 0.268 4.587 4.320 -0.000 0.000 0.219 153 A C 0.847 178.360 177.584 -0.117 0.000 1.163 153 A CA 0.762 52.640 52.037 -0.265 0.000 0.646 153 A CB -0.316 18.373 19.000 -0.518 0.000 0.806 153 A HN 0.777 nan 8.150 nan 0.000 0.448 154 L N 0.718 121.919 121.223 -0.037 0.000 2.301 154 L HA 0.443 4.782 4.340 -0.000 0.000 0.278 154 L C -0.600 176.268 176.870 -0.003 0.000 1.022 154 L CA -0.183 54.635 54.840 -0.037 0.000 0.854 154 L CB 1.380 43.414 42.059 -0.040 0.000 1.226 154 L HN 0.167 nan 8.230 nan 0.000 0.429 155 T N 2.922 117.477 114.554 0.001 0.000 2.952 155 T HA 0.451 4.801 4.350 -0.000 0.000 0.305 155 T C -0.889 173.828 174.700 0.028 0.000 1.064 155 T CA -0.375 61.742 62.100 0.028 0.000 1.008 155 T CB 1.572 70.482 68.868 0.069 0.000 1.078 155 T HN 0.083 nan 8.240 nan 0.000 0.459 156 V N 4.450 124.387 119.914 0.040 0.000 2.408 156 V HA 0.648 4.768 4.120 -0.000 0.000 0.267 156 V C 1.020 177.187 176.094 0.122 0.000 1.047 156 V CA -0.699 61.637 62.300 0.061 0.000 0.937 156 V CB 0.418 32.271 31.823 0.050 0.000 0.999 156 V HN 1.092 nan 8.190 nan 0.000 0.472 157 A N 3.966 126.887 122.820 0.169 0.000 2.351 157 A HA 0.533 4.853 4.320 -0.000 0.000 0.257 157 A C -0.261 177.492 177.584 0.281 0.000 1.087 157 A CA -0.219 51.984 52.037 0.277 0.000 0.798 157 A CB 0.081 19.337 19.000 0.427 0.000 1.033 157 A HN 1.051 nan 8.150 nan 0.000 0.488 158 H N 0.184 119.343 119.070 0.148 0.000 2.466 158 H HA 0.542 5.098 4.556 -0.000 0.000 0.338 158 H C 0.579 175.906 175.328 -0.001 0.000 1.091 158 H CA 0.779 56.868 56.048 0.069 0.000 1.207 158 H CB 0.950 30.738 29.762 0.043 0.000 1.466 158 H HN 1.614 nan 8.280 nan 0.000 0.493 159 G N 3.629 112.085 108.800 -0.573 0.000 2.804 159 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.230 159 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.230 159 G C 0.704 175.302 174.900 -0.504 0.000 1.386 159 G CA 0.263 45.069 45.100 -0.489 0.000 0.875 159 G HN 0.839 nan 8.290 nan 0.000 0.557 160 E N -0.275 119.683 120.200 -0.404 0.000 2.274 160 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 160 E C 2.245 178.635 176.600 -0.350 0.000 0.996 160 E CA 1.016 57.120 56.400 -0.494 0.000 0.840 160 E CB -0.044 29.533 29.700 -0.205 0.000 0.772 160 E HN 0.554 nan 8.360 nan 0.000 0.491 161 R N 0.263 120.676 120.500 -0.146 0.000 2.235 161 R HA 0.041 4.380 4.340 -0.000 0.000 0.213 161 R C -0.103 176.297 176.300 0.166 0.000 1.059 161 R CA 0.428 56.527 56.100 -0.000 0.000 0.997 161 R CB -0.497 29.645 30.300 -0.264 0.000 0.884 161 R HN 0.163 nan 8.270 nan 0.000 0.462 162 F N 1.522 121.588 119.950 0.193 0.000 2.803 162 F HA -0.182 4.345 4.527 -0.000 0.000 0.323 162 F C -0.729 175.169 175.800 0.163 0.000 1.033 162 F CA 0.032 58.166 58.000 0.223 0.000 1.066 162 F CB -1.347 37.868 39.000 0.358 0.000 1.283 162 F HN 0.050 nan 8.300 nan 0.000 0.816 163 D N 1.749 122.291 120.400 0.236 0.000 2.402 163 D HA 0.121 4.761 4.640 -0.000 0.000 0.235 163 D C 0.939 177.349 176.300 0.183 0.000 1.226 163 D CA 0.384 54.476 54.000 0.154 0.000 0.918 163 D CB 0.823 41.691 40.800 0.114 0.000 1.043 163 D HN 0.386 nan 8.370 nan 0.000 0.506 164 T N -1.487 113.176 114.554 0.181 0.000 2.856 164 T HA 0.335 4.684 4.350 -0.000 0.000 0.306 164 T C 1.239 176.015 174.700 0.126 0.000 1.062 164 T CA 0.085 62.288 62.100 0.172 0.000 1.083 164 T CB 1.221 70.198 68.868 0.181 0.000 0.984 164 T HN 0.531 nan 8.240 nan 0.000 0.542 165 G N 0.439 109.306 108.800 0.111 0.000 2.323 165 G HA2 0.014 3.973 3.960 -0.000 0.000 0.292 165 G HA3 0.014 3.973 3.960 -0.000 0.000 0.292 165 G C 0.051 174.992 174.900 0.069 0.000 1.040 165 G CA 0.311 45.467 45.100 0.092 0.000 0.942 165 G HN 1.977 nan 8.290 nan 0.000 0.506 166 V N -4.311 115.636 119.914 0.055 0.000 3.188 166 V HA 0.970 5.090 4.120 -0.000 0.000 0.305 166 V C -0.200 175.891 176.094 -0.006 0.000 1.232 166 V CA -0.233 62.075 62.300 0.012 0.000 1.043 166 V CB 1.897 33.705 31.823 -0.025 0.000 1.068 166 V HN 1.013 nan 8.190 nan 0.000 0.439 167 T N 0.179 114.711 114.554 -0.036 0.000 2.893 167 T HA 0.481 4.831 4.350 -0.000 0.000 0.291 167 T C -0.728 173.892 174.700 -0.132 0.000 1.028 167 T CA -0.336 61.732 62.100 -0.053 0.000 0.995 167 T CB 1.787 70.666 68.868 0.019 0.000 1.051 167 T HN 1.095 nan 8.240 nan 0.000 0.470 168 E N 2.265 122.358 120.200 -0.179 0.000 2.316 168 E HA 0.466 4.816 4.350 -0.000 0.000 0.275 168 E C -1.102 175.467 176.600 -0.052 0.000 1.029 168 E CA -0.471 55.831 56.400 -0.163 0.000 0.871 168 E CB 0.719 30.347 29.700 -0.120 0.000 1.022 168 E HN 0.392 nan 8.360 nan 0.000 0.418 169 V N 4.103 123.992 119.914 -0.042 0.000 2.444 169 V HA 0.259 4.379 4.120 -0.000 0.000 0.294 169 V C -0.643 175.448 176.094 -0.005 0.000 1.022 169 V CA -0.703 61.588 62.300 -0.015 0.000 0.850 169 V CB 1.609 33.421 31.823 -0.018 0.000 0.992 169 V HN 0.720 nan 8.190 nan 0.000 0.426 170 S N 4.001 119.704 115.700 0.004 0.000 2.530 170 S HA 0.717 5.187 4.470 -0.000 0.000 0.322 170 S C -0.755 173.850 174.600 0.008 0.000 1.085 170 S CA -0.760 57.445 58.200 0.009 0.000 1.096 170 S CB 1.575 64.784 63.200 0.015 0.000 0.988 170 S HN 0.360 nan 8.310 nan 0.000 0.466 171 V N 3.404 123.323 119.914 0.008 0.000 2.328 171 V HA 0.439 4.559 4.120 -0.000 0.000 0.278 171 V C 0.259 176.357 176.094 0.008 0.000 1.021 171 V CA -0.321 61.984 62.300 0.007 0.000 0.838 171 V CB 1.135 32.962 31.823 0.006 0.000 0.999 171 V HN 0.963 nan 8.190 nan 0.000 0.447 172 T N 8.234 122.793 114.554 0.007 0.000 2.867 172 T HA 0.459 4.809 4.350 -0.000 0.000 0.282 172 T C -2.513 172.191 174.700 0.006 0.000 1.000 172 T CA -1.082 61.023 62.100 0.007 0.000 1.042 172 T CB 1.924 70.796 68.868 0.008 0.000 0.973 172 T HN 0.479 nan 8.240 nan 0.000 0.465 173 P HA 0.421 nan 4.420 nan 0.000 0.278 173 P C -0.589 176.714 177.300 0.004 0.000 1.238 173 P CA -0.369 62.733 63.100 0.005 0.000 0.794 173 P CB 1.082 32.784 31.700 0.004 0.000 0.955 174 A N 2.917 125.739 122.820 0.003 0.000 3.699 174 A HA 0.710 5.030 4.320 -0.000 0.000 0.167 174 A C 0.269 177.855 177.584 0.003 0.000 1.780 174 A CA 0.003 52.042 52.037 0.003 0.000 1.483 174 A CB -0.647 18.355 19.000 0.003 0.000 1.720 174 A HN 0.577 nan 8.150 nan 0.000 0.671 175 A N -0.143 122.678 122.820 0.002 0.000 2.301 175 A HA 0.513 4.832 4.320 -0.000 0.000 0.312 175 A C 0.155 177.740 177.584 0.002 0.000 1.182 175 A CA -0.339 51.699 52.037 0.002 0.000 0.826 175 A CB 0.010 19.012 19.000 0.002 0.000 1.134 175 A HN 0.686 nan 8.150 nan 0.000 0.501 176 E N 1.141 121.342 120.200 0.002 0.000 2.765 176 E HA 0.173 4.522 4.350 -0.000 0.000 0.256 176 E C 1.234 177.835 176.600 0.001 0.000 0.935 176 E CA 1.400 57.801 56.400 0.001 0.000 0.954 176 E CB -0.032 29.669 29.700 0.001 0.000 0.908 176 E HN 1.470 nan 8.360 nan 0.000 0.500 177 G N 4.108 112.908 108.800 0.001 0.000 2.397 177 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.211 177 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.211 177 G C -0.017 174.883 174.900 0.000 0.000 1.077 177 G CA 0.129 45.229 45.100 0.000 0.000 0.649 177 G HN 0.623 nan 8.290 nan 0.000 0.511 178 E N 3.191 123.391 120.200 0.001 0.000 2.404 178 E HA 0.364 4.714 4.350 -0.000 0.000 0.261 178 E C -2.144 174.456 176.600 0.000 0.000 1.074 178 E CA -1.180 55.220 56.400 0.000 0.000 0.917 178 E CB 0.694 30.395 29.700 0.001 0.000 0.965 178 E HN 0.295 nan 8.360 nan 0.000 0.433 179 P HA -0.037 nan 4.420 nan 0.000 0.268 179 P C -0.809 176.491 177.300 0.001 0.000 1.205 179 P CA 0.025 63.125 63.100 -0.000 0.000 0.771 179 P CB 0.571 32.270 31.700 -0.001 0.000 0.858 180 A N 3.447 126.268 122.820 0.001 0.000 2.520 180 A HA 0.121 4.440 4.320 -0.000 0.000 0.235 180 A C 0.239 177.824 177.584 0.002 0.000 1.065 180 A CA 0.068 52.107 52.037 0.002 0.000 0.764 180 A CB -0.580 18.422 19.000 0.003 0.000 1.002 180 A HN 0.669 nan 8.150 nan 0.000 0.502 181 D N 0.153 120.555 120.400 0.003 0.000 2.193 181 D HA 0.494 5.134 4.640 -0.000 0.000 0.244 181 D C -0.698 175.605 176.300 0.005 0.000 1.064 181 D CA -0.538 53.465 54.000 0.004 0.000 0.845 181 D CB 1.414 42.216 40.800 0.004 0.000 1.148 181 D HN 0.203 nan 8.370 nan 0.000 0.464 182 V N 1.604 121.521 119.914 0.005 0.000 2.540 182 V HA 0.447 4.566 4.120 -0.000 0.000 0.302 182 V C -0.727 175.372 176.094 0.008 0.000 1.035 182 V CA -0.852 61.451 62.300 0.005 0.000 0.873 182 V CB 1.620 33.444 31.823 0.002 0.000 0.992 182 V HN 0.747 nan 8.190 nan 0.000 0.428 183 D N 2.832 123.238 120.400 0.011 0.000 2.362 183 D HA 0.510 5.150 4.640 -0.000 0.000 0.247 183 D C 0.437 176.748 176.300 0.018 0.000 1.050 183 D CA -0.502 53.508 54.000 0.017 0.000 0.839 183 D CB 1.794 42.606 40.800 0.020 0.000 1.283 183 D HN 0.416 nan 8.370 nan 0.000 0.477 184 L N 3.184 124.423 121.223 0.025 0.000 2.607 184 L HA 0.364 4.704 4.340 -0.000 0.000 0.228 184 L C 1.584 178.479 176.870 0.041 0.000 1.123 184 L CA 0.151 55.008 54.840 0.028 0.000 0.890 184 L CB -0.868 41.209 42.059 0.031 0.000 1.103 184 L HN 0.798 nan 8.230 nan 0.000 0.468 185 G N 1.156 109.984 108.800 0.046 0.000 2.550 185 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.277 185 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.277 185 G C 1.036 175.984 174.900 0.080 0.000 1.190 185 G CA 0.568 45.702 45.100 0.057 0.000 0.971 185 G HN 0.280 nan 8.290 nan 0.000 0.559 186 A N -0.631 122.239 122.820 0.085 0.000 1.985 186 A HA 0.108 4.428 4.320 -0.000 0.000 0.223 186 A C 2.758 180.428 177.584 0.142 0.000 1.189 186 A CA 3.892 55.988 52.037 0.097 0.000 0.658 186 A CB -0.895 18.161 19.000 0.094 0.000 0.820 186 A HN 2.418 nan 8.150 nan 0.000 0.464 187 A N -0.801 122.102 122.820 0.139 0.000 2.337 187 A HA 0.262 4.581 4.320 -0.000 0.000 0.227 187 A C 0.414 178.100 177.584 0.169 0.000 1.259 187 A CA -0.279 51.876 52.037 0.196 0.000 0.870 187 A CB -0.097 19.024 19.000 0.202 0.000 0.927 187 A HN 0.414 nan 8.150 nan 0.000 0.497 188 E N 0.215 120.505 120.200 0.150 0.000 2.480 188 E HA 0.228 4.578 4.350 -0.000 0.000 0.258 188 E C 1.035 177.724 176.600 0.147 0.000 0.984 188 E CA 1.140 57.611 56.400 0.118 0.000 0.930 188 E CB 0.285 30.049 29.700 0.106 0.000 0.936 188 E HN 0.732 nan 8.360 nan 0.000 0.466 189 G N 3.208 112.032 108.800 0.039 0.000 2.198 189 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 189 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 189 G C 0.118 174.820 174.900 -0.330 0.000 1.042 189 G CA 0.846 45.917 45.100 -0.049 0.000 0.791 189 G HN 0.656 nan 8.290 nan 0.000 0.502 190 Y N -1.276 118.808 120.300 -0.360 0.000 3.032 190 Y HA 0.611 5.161 4.550 -0.000 0.000 0.232 190 Y C 1.351 177.156 175.900 -0.159 0.000 1.099 190 Y CA 1.310 59.188 58.100 -0.370 0.000 1.328 190 Y CB -0.004 38.215 38.460 -0.401 0.000 1.432 190 Y HN 0.834 nan 8.280 nan 0.000 0.433 191 A N 2.058 124.786 122.820 -0.153 0.000 2.304 191 A HA 0.470 4.790 4.320 -0.000 0.000 0.301 191 A C -0.240 177.266 177.584 -0.129 0.000 1.132 191 A CA -0.539 51.386 52.037 -0.187 0.000 0.819 191 A CB 0.393 19.375 19.000 -0.030 0.000 1.094 191 A HN 0.374 nan 8.150 nan 0.000 0.492 192 E N -0.327 119.796 120.200 -0.129 0.000 2.371 192 E HA 0.318 4.667 4.350 -0.000 0.000 0.257 192 E C -1.239 175.328 176.600 -0.056 0.000 1.134 192 E CA -0.340 56.008 56.400 -0.086 0.000 0.919 192 E CB 1.456 31.105 29.700 -0.084 0.000 1.025 192 E HN 0.466 nan 8.360 nan 0.000 0.438 193 L N 2.065 123.264 121.223 -0.041 0.000 2.372 193 L HA 0.299 4.639 4.340 -0.000 0.000 0.274 193 L C -1.137 175.717 176.870 -0.026 0.000 0.988 193 L CA -0.421 54.402 54.840 -0.029 0.000 0.833 193 L CB 1.489 43.536 42.059 -0.019 0.000 1.236 193 L HN 0.231 nan 8.230 nan 0.000 0.410 194 D N 3.233 123.618 120.400 -0.026 0.000 2.460 194 D HA 0.251 4.891 4.640 -0.000 0.000 0.232 194 D C -0.964 175.326 176.300 -0.017 0.000 1.079 194 D CA -0.108 53.879 54.000 -0.022 0.000 0.864 194 D CB 0.642 41.428 40.800 -0.024 0.000 1.048 194 D HN 0.484 nan 8.370 nan 0.000 0.523 195 N N 3.272 121.964 118.700 -0.013 0.000 2.609 195 N HA 0.184 4.923 4.740 -0.000 0.000 0.234 195 N C -0.465 175.040 175.510 -0.008 0.000 1.001 195 N CA -0.519 52.525 53.050 -0.010 0.000 0.926 195 N CB 0.503 38.986 38.487 -0.007 0.000 1.130 195 N HN 0.212 nan 8.380 nan 0.000 0.510 196 R N 1.602 122.097 120.500 -0.008 0.000 2.609 196 R HA 0.349 4.689 4.340 -0.000 0.000 0.326 196 R C -0.192 176.105 176.300 -0.004 0.000 1.090 196 R CA -0.383 55.713 56.100 -0.006 0.000 1.072 196 R CB -0.209 30.087 30.300 -0.007 0.000 1.330 196 R HN 0.437 nan 8.270 nan 0.000 0.572 197 A N 0.654 123.473 122.820 -0.003 0.000 2.310 197 A HA 0.508 4.828 4.320 -0.000 0.000 0.299 197 A C -0.211 177.373 177.584 -0.000 0.000 1.147 197 A CA -0.454 51.583 52.037 -0.001 0.000 0.818 197 A CB 1.366 20.366 19.000 -0.000 0.000 1.096 197 A HN 0.089 nan 8.150 nan 0.000 0.495 198 V N 2.107 122.021 119.914 0.001 0.000 2.628 198 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 198 V C 0.163 176.258 176.094 0.002 0.000 1.045 198 V CA -0.357 61.944 62.300 0.001 0.000 0.905 198 V CB 2.121 33.944 31.823 0.000 0.000 0.997 198 V HN 0.977 nan 8.190 nan 0.000 0.436 199 T N 5.664 120.219 114.554 0.002 0.000 2.814 199 T HA 0.493 4.842 4.350 -0.000 0.000 0.297 199 T C 0.401 175.103 174.700 0.002 0.000 0.956 199 T CA 0.345 62.447 62.100 0.002 0.000 1.123 199 T CB 0.887 69.756 68.868 0.002 0.000 0.902 199 T HN 1.039 nan 8.240 nan 0.000 0.528 200 G N 1.299 110.101 108.800 0.002 0.000 2.522 200 G HA2 0.599 4.559 3.960 -0.000 0.000 0.304 200 G HA3 0.599 4.559 3.960 -0.000 0.000 0.304 200 G C -0.003 174.898 174.900 0.002 0.000 1.210 200 G CA -0.949 44.152 45.100 0.002 0.000 0.960 200 G HN 1.006 nan 8.290 nan 0.000 0.497 201 A N -0.394 122.427 122.820 0.002 0.000 2.520 201 A HA 0.536 4.856 4.320 -0.000 0.000 0.235 201 A C 1.106 178.691 177.584 0.002 0.000 1.065 201 A CA 0.464 52.502 52.037 0.002 0.000 0.764 201 A CB -0.237 18.764 19.000 0.001 0.000 1.002 201 A HN 1.933 nan 8.150 nan 0.000 0.502 202 A N 1.216 124.037 122.820 0.002 0.000 2.540 202 A HA 0.490 4.810 4.320 -0.000 0.000 0.239 202 A C 1.477 179.062 177.584 0.002 0.000 1.061 202 A CA 0.679 52.718 52.037 0.002 0.000 0.758 202 A CB -0.771 18.230 19.000 0.002 0.000 0.991 202 A HN 2.813 nan 8.150 nan 0.000 0.502 203 G N 1.258 110.059 108.800 0.002 0.000 2.289 203 G HA2 0.100 4.060 3.960 -0.000 0.000 0.280 203 G HA3 0.100 4.060 3.960 -0.000 0.000 0.280 203 G C 0.138 175.040 174.900 0.002 0.000 1.089 203 G CA 0.784 45.885 45.100 0.002 0.000 0.939 203 G HN 2.408 nan 8.290 nan 0.000 0.499 204 S N -1.401 114.300 115.700 0.002 0.000 2.564 204 S HA 0.913 5.383 4.470 -0.000 0.000 0.274 204 S C 0.268 174.870 174.600 0.002 0.000 1.124 204 S CA 0.227 58.428 58.200 0.002 0.000 0.869 204 S CB 2.060 65.261 63.200 0.002 0.000 1.105 204 S HN 1.996 nan 8.310 nan 0.000 0.472 205 A N 2.313 125.135 122.820 0.002 0.000 2.555 205 A HA 0.275 4.595 4.320 -0.000 0.000 0.233 205 A C 0.510 178.096 177.584 0.004 0.000 1.060 205 A CA -0.156 51.882 52.037 0.003 0.000 0.759 205 A CB -0.337 18.664 19.000 0.002 0.000 0.995 205 A HN 0.843 nan 8.150 nan 0.000 0.506 206 N N 1.058 119.761 118.700 0.005 0.000 2.420 206 N HA 0.152 4.892 4.740 -0.000 0.000 0.249 206 N C 0.563 176.077 175.510 0.007 0.000 1.033 206 N CA 0.570 53.624 53.050 0.006 0.000 0.944 206 N CB 0.969 39.460 38.487 0.007 0.000 1.113 206 N HN 0.691 nan 8.380 nan 0.000 0.502 207 T N 1.414 115.973 114.554 0.007 0.000 3.132 207 T HA 0.147 4.497 4.350 -0.000 0.000 0.274 207 T C 0.734 175.441 174.700 0.011 0.000 1.011 207 T CA -0.455 61.651 62.100 0.009 0.000 0.899 207 T CB -0.246 68.626 68.868 0.006 0.000 1.089 207 T HN 0.285 nan 8.240 nan 0.000 0.543 208 L N 2.309 123.540 121.223 0.012 0.000 2.490 208 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 208 L C -0.706 176.176 176.870 0.020 0.000 1.201 208 L CA 0.331 55.179 54.840 0.013 0.000 0.869 208 L CB 0.789 42.855 42.059 0.012 0.000 1.123 208 L HN 0.137 nan 8.230 nan 0.000 0.484 209 V N 6.746 126.671 119.914 0.019 0.000 2.668 209 V HA 0.429 4.549 4.120 -0.000 0.000 0.304 209 V C -0.422 175.683 176.094 0.017 0.000 1.071 209 V CA -0.417 61.900 62.300 0.028 0.000 0.894 209 V CB 1.902 33.743 31.823 0.030 0.000 1.008 209 V HN 0.591 nan 8.190 nan 0.000 0.425 210 I N 4.762 125.344 120.570 0.021 0.000 2.362 210 I HA 0.535 4.705 4.170 -0.000 0.000 0.289 210 I C -0.596 175.498 176.117 -0.038 0.000 0.994 210 I CA -0.112 61.185 61.300 -0.005 0.000 1.158 210 I CB 1.610 39.609 38.000 -0.001 0.000 1.315 210 I HN 0.512 nan 8.210 nan 0.000 0.451 211 D N 5.629 125.992 120.400 -0.062 0.000 2.477 211 D HA 0.442 5.082 4.640 -0.000 0.000 0.234 211 D C -1.167 175.063 176.300 -0.116 0.000 1.048 211 D CA -0.733 53.203 54.000 -0.107 0.000 0.959 211 D CB 2.915 43.676 40.800 -0.065 0.000 1.408 211 D HN 0.415 nan 8.370 nan 0.000 0.496 212 R N 2.066 122.476 120.500 -0.150 0.000 2.473 212 R HA 0.446 4.786 4.340 -0.000 0.000 0.303 212 R C -2.665 173.580 176.300 -0.092 0.000 1.002 212 R CA -1.560 54.476 56.100 -0.107 0.000 0.884 212 R CB 1.708 31.945 30.300 -0.105 0.000 1.173 212 R HN 0.134 nan 8.270 nan 0.000 0.464 213 P HA -0.032 nan 4.420 nan 0.000 0.276 213 P C -0.187 177.094 177.300 -0.030 0.000 1.235 213 P CA -0.376 62.699 63.100 -0.042 0.000 0.772 213 P CB 1.110 32.790 31.700 -0.032 0.000 0.871 214 V N 3.977 123.880 119.914 -0.018 0.000 2.843 214 V HA 0.127 4.246 4.120 -0.000 0.000 0.305 214 V C 1.589 177.684 176.094 0.002 0.000 1.120 214 V CA 2.455 64.756 62.300 0.001 0.000 1.254 214 V CB -0.304 31.530 31.823 0.018 0.000 0.901 214 V HN 1.011 nan 8.190 nan 0.000 0.503 215 G N 3.952 112.757 108.800 0.009 0.000 2.640 215 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.226 215 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.226 215 G C 0.610 175.506 174.900 -0.006 0.000 1.222 215 G CA 0.904 46.007 45.100 0.006 0.000 0.729 215 G HN 1.777 nan 8.290 nan 0.000 0.516 216 T N -0.996 113.547 114.554 -0.017 0.000 2.849 216 T HA 0.535 4.884 4.350 -0.000 0.000 0.284 216 T C 0.347 175.023 174.700 -0.040 0.000 1.004 216 T CA 0.593 62.673 62.100 -0.033 0.000 1.021 216 T CB 1.595 70.440 68.868 -0.038 0.000 1.013 216 T HN 0.487 nan 8.240 nan 0.000 0.527 217 N N 0.868 119.528 118.700 -0.066 0.000 2.908 217 N HA 0.287 5.027 4.740 -0.000 0.000 0.316 217 N C -1.305 174.146 175.510 -0.098 0.000 1.619 217 N CA -0.439 52.559 53.050 -0.087 0.000 1.045 217 N CB 0.166 38.557 38.487 -0.160 0.000 1.357 217 N HN 0.674 nan 8.380 nan 0.000 0.501 218 T N 1.495 116.008 114.554 -0.068 0.000 2.840 218 T HA 0.367 4.716 4.350 -0.000 0.000 0.287 218 T C -0.133 174.536 174.700 -0.052 0.000 0.991 218 T CA -0.530 61.532 62.100 -0.063 0.000 0.964 218 T CB 0.884 69.718 68.868 -0.056 0.000 0.954 218 T HN 0.039 nan 8.240 nan 0.000 0.438 219 I N 3.438 123.981 120.570 -0.045 0.000 2.294 219 I HA 0.347 4.517 4.170 -0.000 0.000 0.295 219 I C 0.746 176.842 176.117 -0.036 0.000 1.098 219 I CA -0.491 60.785 61.300 -0.040 0.000 1.277 219 I CB -0.109 37.874 38.000 -0.029 0.000 1.434 219 I HN 0.652 nan 8.210 nan 0.000 0.498 220 A N 7.633 130.430 122.820 -0.039 0.000 2.252 220 A HA 0.607 4.927 4.320 -0.000 0.000 0.309 220 A C -0.144 177.425 177.584 -0.024 0.000 1.285 220 A CA -0.419 51.600 52.037 -0.030 0.000 0.900 220 A CB 0.604 19.586 19.000 -0.029 0.000 1.157 220 A HN 0.451 nan 8.150 nan 0.000 0.536 221 V N 2.878 122.782 119.914 -0.017 0.000 2.547 221 V HA 0.780 4.899 4.120 -0.000 0.000 0.299 221 V C 0.473 176.563 176.094 -0.006 0.000 1.040 221 V CA 0.017 62.311 62.300 -0.010 0.000 0.913 221 V CB 1.565 33.384 31.823 -0.007 0.000 0.992 221 V HN 1.116 nan 8.190 nan 0.000 0.449 222 T N 0.207 114.759 114.554 -0.002 0.000 2.843 222 T HA 0.911 5.261 4.350 -0.000 0.000 0.302 222 T C -0.051 174.651 174.700 0.003 0.000 1.232 222 T CA -0.011 62.089 62.100 -0.000 0.000 1.009 222 T CB 1.796 70.664 68.868 -0.000 0.000 1.254 222 T HN 1.984 nan 8.240 nan 0.000 0.504 223 G N 0.392 109.194 108.800 0.003 0.000 2.428 223 G HA2 0.303 4.263 3.960 -0.000 0.000 0.202 223 G HA3 0.303 4.263 3.960 -0.000 0.000 0.202 223 G C -0.541 174.361 174.900 0.004 0.000 1.247 223 G CA -0.184 44.919 45.100 0.005 0.000 1.020 223 G HN 1.639 nan 8.290 nan 0.000 0.529 224 S N -1.071 114.632 115.700 0.005 0.000 2.571 224 S HA 0.658 5.128 4.470 -0.000 0.000 0.284 224 S C -1.312 173.291 174.600 0.005 0.000 1.128 224 S CA -0.431 57.772 58.200 0.004 0.000 0.970 224 S CB 1.354 64.556 63.200 0.003 0.000 1.039 224 S HN 1.465 nan 8.310 nan 0.000 0.485 225 L N 7.068 128.294 121.223 0.005 0.000 2.325 225 L HA 0.666 5.005 4.340 -0.000 0.000 0.281 225 L C -2.312 174.561 176.870 0.004 0.000 1.004 225 L CA -1.910 52.933 54.840 0.005 0.000 0.823 225 L CB 1.593 43.655 42.059 0.005 0.000 1.236 225 L HN 0.426 nan 8.230 nan 0.000 0.415 226 P HA 0.030 nan 4.420 nan 0.000 0.269 226 P C -0.086 177.216 177.300 0.004 0.000 1.217 226 P CA 0.013 63.115 63.100 0.004 0.000 0.783 226 P CB 0.713 32.415 31.700 0.004 0.000 0.898 227 A N 2.305 125.127 122.820 0.003 0.000 1.968 227 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 227 A C 1.402 178.988 177.584 0.003 0.000 1.169 227 A CA 1.665 53.704 52.037 0.003 0.000 0.638 227 A CB -1.154 17.847 19.000 0.003 0.000 0.812 227 A HN 0.601 nan 8.150 nan 0.000 0.446 228 D N 0.423 120.825 120.400 0.003 0.000 2.363 228 D HA 0.284 4.924 4.640 -0.000 0.000 0.226 228 D C 0.758 177.060 176.300 0.004 0.000 1.020 228 D CA 0.486 54.488 54.000 0.003 0.000 0.892 228 D CB -0.713 40.089 40.800 0.003 0.000 0.900 228 D HN 0.381 nan 8.370 nan 0.000 0.531 229 A N 0.363 123.185 122.820 0.004 0.000 2.531 229 A HA 0.467 4.787 4.320 -0.000 0.000 0.236 229 A C 0.713 178.300 177.584 0.006 0.000 1.062 229 A CA 0.043 52.083 52.037 0.005 0.000 0.760 229 A CB 0.055 19.058 19.000 0.006 0.000 0.995 229 A HN 0.402 nan 8.150 nan 0.000 0.501 230 A N 3.791 126.615 122.820 0.006 0.000 2.371 230 A HA 0.622 4.941 4.320 -0.000 0.000 0.257 230 A C -1.985 175.604 177.584 0.008 0.000 1.089 230 A CA -1.422 50.619 52.037 0.007 0.000 0.794 230 A CB -0.383 18.621 19.000 0.007 0.000 1.029 230 A HN 0.738 nan 8.150 nan 0.000 0.488 231 P HA 0.151 nan 4.420 nan 0.000 0.264 231 P C -0.601 176.706 177.300 0.010 0.000 1.193 231 P CA 0.097 63.202 63.100 0.009 0.000 0.763 231 P CB 0.446 32.152 31.700 0.010 0.000 0.810 232 V N 4.150 124.070 119.914 0.010 0.000 2.461 232 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 232 V C 1.126 177.227 176.094 0.011 0.000 1.047 232 V CA 0.118 62.425 62.300 0.011 0.000 0.955 232 V CB 0.841 32.671 31.823 0.012 0.000 0.988 232 V HN 0.807 nan 8.190 nan 0.000 0.471 233 T N 2.484 117.045 114.554 0.011 0.000 2.932 233 T HA 0.915 5.265 4.350 -0.000 0.000 0.289 233 T C -0.581 174.123 174.700 0.006 0.000 1.039 233 T CA -0.291 61.814 62.100 0.008 0.000 1.024 233 T CB 2.136 71.011 68.868 0.011 0.000 1.090 233 T HN 1.285 nan 8.240 nan 0.000 0.496 234 A N 2.162 124.979 122.820 -0.005 0.000 2.577 234 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 234 A C -1.171 176.391 177.584 -0.037 0.000 1.060 234 A CA -0.928 51.108 52.037 -0.003 0.000 0.697 234 A CB 1.064 20.078 19.000 0.023 0.000 1.281 234 A HN 0.950 nan 8.150 nan 0.000 0.402 235 L N 2.740 123.937 121.223 -0.044 0.000 2.290 235 L HA 0.530 4.870 4.340 -0.000 0.000 0.284 235 L C 0.235 177.076 176.870 -0.049 0.000 1.078 235 L CA -0.397 54.390 54.840 -0.089 0.000 0.815 235 L CB 0.630 42.631 42.059 -0.098 0.000 1.162 235 L HN 0.627 nan 8.230 nan 0.000 0.435 236 R N 1.202 121.661 120.500 -0.069 0.000 2.744 236 R HA 0.446 4.786 4.340 -0.000 0.000 0.279 236 R C -0.293 175.973 176.300 -0.058 0.000 0.977 236 R CA -0.646 55.407 56.100 -0.077 0.000 0.906 236 R CB 2.288 32.541 30.300 -0.079 0.000 1.197 236 R HN 0.694 nan 8.270 nan 0.000 0.463 237 T N -1.831 112.685 114.554 -0.063 0.000 2.816 237 T HA 0.527 4.877 4.350 -0.000 0.000 0.282 237 T C 0.624 175.333 174.700 0.014 0.000 0.993 237 T CA -0.593 61.497 62.100 -0.017 0.000 0.994 237 T CB 1.024 69.880 68.868 -0.020 0.000 1.025 237 T HN 0.379 nan 8.240 nan 0.000 0.529 238 V N -1.771 118.182 119.914 0.066 0.000 3.040 238 V HA 0.612 4.732 4.120 -0.000 0.000 0.312 238 V C -0.588 175.589 176.094 0.138 0.000 1.115 238 V CA -1.297 61.077 62.300 0.123 0.000 0.998 238 V CB 1.703 33.673 31.823 0.246 0.000 1.042 238 V HN 0.923 nan 8.190 nan 0.000 0.433 239 D N 1.993 122.477 120.400 0.140 0.000 2.424 239 D HA 0.152 4.792 4.640 -0.000 0.000 0.244 239 D C 0.163 176.587 176.300 0.206 0.000 1.134 239 D CA 0.969 55.046 54.000 0.128 0.000 0.881 239 D CB 0.289 41.127 40.800 0.064 0.000 1.191 239 D HN 0.794 nan 8.370 nan 0.000 0.445 240 E N 2.249 122.544 120.200 0.158 0.000 2.708 240 E HA -0.175 4.175 4.350 -0.000 0.000 0.150 240 E C -1.897 174.784 176.600 0.134 0.000 1.853 240 E CA -0.006 56.485 56.400 0.152 0.000 0.643 240 E CB -0.682 29.118 29.700 0.166 0.000 1.078 240 E HN 0.470 nan 8.360 nan 0.000 0.345 241 P HA -0.248 nan 4.420 nan 0.000 0.216 241 P C 1.430 178.739 177.300 0.015 0.000 1.154 241 P CA 2.330 65.464 63.100 0.057 0.000 0.865 241 P CB 0.113 31.860 31.700 0.078 0.000 0.789 242 A N -0.187 122.655 122.820 0.037 0.000 1.948 242 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 242 A C 2.333 179.917 177.584 0.000 0.000 1.177 242 A CA 2.364 54.411 52.037 0.018 0.000 0.636 242 A CB -1.618 17.406 19.000 0.039 0.000 0.815 242 A HN 0.222 nan 8.150 nan 0.000 0.449 243 A N -0.529 122.308 122.820 0.028 0.000 1.877 243 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 243 A C 2.159 179.614 177.584 -0.215 0.000 1.186 243 A CA 1.692 53.750 52.037 0.034 0.000 0.620 243 A CB -0.650 18.489 19.000 0.232 0.000 0.822 243 A HN 0.813 nan 8.150 nan 0.000 0.443 244 L N -0.201 120.711 121.223 -0.519 0.000 2.046 244 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 244 L C 2.626 179.350 176.870 -0.242 0.000 1.077 244 L CA 2.133 56.525 54.840 -0.747 0.000 0.747 244 L CB -0.715 40.968 42.059 -0.625 0.000 0.896 244 L HN 0.353 nan 8.230 nan 0.000 0.432 245 A N -0.091 122.651 122.820 -0.129 0.000 1.873 245 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 245 A C 2.391 179.964 177.584 -0.018 0.000 1.193 245 A CA 2.042 54.046 52.037 -0.054 0.000 0.629 245 A CB -1.813 17.157 19.000 -0.049 0.000 0.826 245 A HN 0.558 nan 8.150 nan 0.000 0.447 246 G N -0.955 107.833 108.800 -0.019 0.000 2.553 246 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.218 246 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.218 246 G C 1.498 176.444 174.900 0.078 0.000 1.195 246 G CA 1.797 46.920 45.100 0.038 0.000 0.779 246 G HN 0.849 nan 8.290 nan 0.000 0.577 247 H N 0.623 119.657 119.070 -0.060 0.000 2.387 247 H HA 0.066 4.622 4.556 -0.000 0.000 0.299 247 H C 2.377 177.703 175.328 -0.003 0.000 1.099 247 H CA 1.489 57.520 56.048 -0.029 0.000 1.315 247 H CB -0.286 29.430 29.762 -0.077 0.000 1.380 247 H HN 0.314 nan 8.280 nan 0.000 0.513 248 L N -1.220 119.891 121.223 -0.186 0.000 2.313 248 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 248 L C 1.898 178.729 176.870 -0.065 0.000 1.119 248 L CA 0.478 55.199 54.840 -0.199 0.000 0.809 248 L CB -0.356 41.659 42.059 -0.073 0.000 0.933 248 L HN 0.260 nan 8.230 nan 0.000 0.449 249 F N 1.384 121.252 119.950 -0.137 0.000 2.163 249 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 249 F C 2.522 178.266 175.800 -0.093 0.000 1.094 249 F CA 1.742 59.686 58.000 -0.094 0.000 1.290 249 F CB -0.053 38.910 39.000 -0.063 0.000 1.017 249 F HN 0.126 nan 8.300 nan 0.000 0.483 250 E N 0.285 120.451 120.200 -0.057 0.000 2.058 250 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 250 E C 1.971 178.462 176.600 -0.181 0.000 0.997 250 E CA 2.020 58.348 56.400 -0.120 0.000 0.801 250 E CB -0.421 29.256 29.700 -0.038 0.000 0.746 250 E HN 0.543 nan 8.360 nan 0.000 0.450 251 E N 0.149 120.226 120.200 -0.205 0.000 2.118 251 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 251 E C 2.104 178.597 176.600 -0.178 0.000 0.992 251 E CA 1.018 57.308 56.400 -0.184 0.000 0.804 251 E CB -0.191 29.375 29.700 -0.224 0.000 0.741 251 E HN 0.472 nan 8.360 nan 0.000 0.458 252 A N 1.058 123.741 122.820 -0.227 0.000 1.968 252 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 252 A C 2.186 179.589 177.584 -0.302 0.000 1.169 252 A CA 0.625 52.517 52.037 -0.242 0.000 0.638 252 A CB -0.384 18.464 19.000 -0.252 0.000 0.812 252 A HN 0.095 nan 8.150 nan 0.000 0.446 253 L N -0.774 120.209 121.223 -0.400 0.000 2.056 253 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 253 L C 2.519 179.278 176.870 -0.186 0.000 1.078 253 L CA 1.441 56.081 54.840 -0.334 0.000 0.749 253 L CB -0.556 41.290 42.059 -0.355 0.000 0.901 253 L HN 0.438 nan 8.230 nan 0.000 0.433 254 E N -0.539 119.568 120.200 -0.154 0.000 2.077 254 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 254 E C 2.278 178.825 176.600 -0.088 0.000 0.989 254 E CA 1.489 57.829 56.400 -0.100 0.000 0.800 254 E CB -0.086 29.566 29.700 -0.081 0.000 0.746 254 E HN 0.232 nan 8.360 nan 0.000 0.452 255 S N 0.134 115.773 115.700 -0.101 0.000 2.481 255 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 255 S C 1.056 175.610 174.600 -0.076 0.000 0.996 255 S CA 0.521 58.673 58.200 -0.080 0.000 0.942 255 S CB -0.034 63.117 63.200 -0.081 0.000 0.768 255 S HN 0.209 nan 8.310 nan 0.000 0.520 256 N N 0.314 118.957 118.700 -0.095 0.000 2.275 256 N HA 0.189 4.929 4.740 -0.000 0.000 0.236 256 N C 0.770 176.240 175.510 -0.067 0.000 1.154 256 N CA 0.502 53.504 53.050 -0.080 0.000 0.866 256 N CB 0.917 39.346 38.487 -0.097 0.000 1.093 256 N HN 0.455 nan 8.380 nan 0.000 0.515 257 G N 0.730 109.493 108.800 -0.062 0.000 2.155 257 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 257 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 257 G C 0.029 174.901 174.900 -0.048 0.000 0.983 257 G CA 0.099 45.170 45.100 -0.047 0.000 0.676 257 G HN 0.205 nan 8.290 nan 0.000 0.528 258 V N 1.977 121.852 119.914 -0.066 0.000 2.350 258 V HA 0.489 4.609 4.120 -0.000 0.000 0.276 258 V C 0.861 176.919 176.094 -0.060 0.000 1.028 258 V CA 0.003 62.267 62.300 -0.060 0.000 0.860 258 V CB 1.243 33.020 31.823 -0.076 0.000 0.990 258 V HN 0.340 nan 8.190 nan 0.000 0.453 259 T N 4.554 119.085 114.554 -0.039 0.000 2.910 259 T HA 0.502 4.852 4.350 -0.000 0.000 0.293 259 T C -0.096 174.586 174.700 -0.030 0.000 1.015 259 T CA -0.364 61.715 62.100 -0.034 0.000 1.094 259 T CB 1.516 70.371 68.868 -0.022 0.000 0.968 259 T HN 0.387 nan 8.240 nan 0.000 0.521 260 V N 3.845 123.741 119.914 -0.030 0.000 2.444 260 V HA 0.313 4.433 4.120 -0.000 0.000 0.294 260 V C 0.711 176.791 176.094 -0.023 0.000 1.022 260 V CA -0.888 61.396 62.300 -0.026 0.000 0.850 260 V CB 1.607 33.411 31.823 -0.031 0.000 0.992 260 V HN 0.741 nan 8.190 nan 0.000 0.426 261 K N 2.912 123.300 120.400 -0.020 0.000 2.098 261 K HA 0.175 4.495 4.320 -0.000 0.000 0.203 261 K C 1.342 177.929 176.600 -0.023 0.000 1.051 261 K CA 1.037 57.314 56.287 -0.016 0.000 0.957 261 K CB 0.013 32.509 32.500 -0.008 0.000 0.738 261 K HN 0.750 nan 8.250 nan 0.000 0.447 262 G N 1.565 110.342 108.800 -0.038 0.000 2.580 262 G HA2 0.073 4.033 3.960 -0.000 0.000 0.225 262 G HA3 0.073 4.033 3.960 -0.000 0.000 0.225 262 G C -0.413 174.444 174.900 -0.073 0.000 1.521 262 G CA -0.274 44.792 45.100 -0.056 0.000 1.068 262 G HN 0.041 nan 8.290 nan 0.000 0.564 263 D N -1.213 119.117 120.400 -0.117 0.000 2.326 263 D HA 0.489 5.129 4.640 -0.000 0.000 0.251 263 D C -0.274 175.931 176.300 -0.158 0.000 1.023 263 D CA -0.220 53.715 54.000 -0.107 0.000 0.966 263 D CB 1.910 42.658 40.800 -0.088 0.000 1.156 263 D HN 0.065 nan 8.370 nan 0.000 0.494 264 V N 0.475 120.343 119.914 -0.077 0.000 2.370 264 V HA 0.817 4.937 4.120 -0.000 0.000 0.283 264 V C 0.769 176.852 176.094 -0.019 0.000 1.023 264 V CA -0.351 61.916 62.300 -0.054 0.000 0.857 264 V CB 0.981 32.831 31.823 0.046 0.000 0.985 264 V HN 0.695 nan 8.190 nan 0.000 0.443 265 G N 3.521 112.297 108.800 -0.040 0.000 2.706 265 G HA2 0.677 4.637 3.960 -0.000 0.000 0.307 265 G HA3 0.677 4.637 3.960 -0.000 0.000 0.307 265 G C -1.621 173.368 174.900 0.149 0.000 1.307 265 G CA -0.871 44.270 45.100 0.070 0.000 0.790 265 G HN 0.532 nan 8.290 nan 0.000 0.503 266 L N -0.113 121.225 121.223 0.193 0.000 2.352 266 L HA 0.828 5.168 4.340 -0.000 0.000 0.269 266 L C 0.600 177.586 176.870 0.193 0.000 1.034 266 L CA -0.120 54.824 54.840 0.173 0.000 0.806 266 L CB 1.965 44.092 42.059 0.113 0.000 1.244 266 L HN 1.174 nan 8.230 nan 0.000 0.447 267 G N 0.202 109.055 108.800 0.088 0.000 2.226 267 G HA2 0.378 4.338 3.960 -0.000 0.000 0.257 267 G HA3 0.378 4.338 3.960 -0.000 0.000 0.257 267 G C -0.941 173.980 174.900 0.035 0.000 1.732 267 G CA -0.437 44.624 45.100 -0.065 0.000 0.914 267 G HN 0.841 nan 8.290 nan 0.000 0.742 268 G N -0.375 108.426 108.800 0.001 0.000 2.448 268 G HA2 0.635 4.594 3.960 -0.000 0.000 0.285 268 G HA3 0.635 4.594 3.960 -0.000 0.000 0.285 268 G C 0.450 175.280 174.900 -0.116 0.000 1.176 268 G CA -0.426 44.677 45.100 0.006 0.000 0.852 268 G HN 1.357 nan 8.290 nan 0.000 0.530 269 V N 3.600 123.306 119.914 -0.346 0.000 2.539 269 V HA 0.023 4.143 4.120 -0.000 0.000 0.300 269 V C -1.217 174.440 176.094 -0.728 0.000 1.019 269 V CA -0.590 61.146 62.300 -0.940 0.000 1.160 269 V CB 0.377 31.795 31.823 -0.675 0.000 0.901 269 V HN 0.640 nan 8.190 nan 0.000 0.481 270 P HA 0.146 nan 4.420 nan 0.000 0.271 270 P C 0.530 177.548 177.300 -0.471 0.000 1.216 270 P CA -0.125 62.594 63.100 -0.635 0.000 0.771 270 P CB 1.153 32.435 31.700 -0.697 0.000 0.864 271 A N 2.879 125.554 122.820 -0.242 0.000 2.084 271 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 271 A C 1.906 179.456 177.584 -0.056 0.000 1.161 271 A CA 1.820 53.785 52.037 -0.121 0.000 0.653 271 A CB -1.199 17.757 19.000 -0.074 0.000 0.802 271 A HN 0.519 nan 8.150 nan 0.000 0.457 272 D N -1.372 118.986 120.400 -0.071 0.000 2.228 272 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 272 D C 0.394 176.869 176.300 0.292 0.000 0.988 272 D CA 0.673 54.725 54.000 0.087 0.000 0.864 272 D CB -0.003 40.864 40.800 0.112 0.000 0.928 272 D HN 0.527 nan 8.370 nan 0.000 0.469 273 W N -0.101 121.165 121.300 -0.057 0.000 2.390 273 W HA 0.503 5.163 4.660 -0.000 0.000 0.362 273 W C 1.443 177.934 176.519 -0.047 0.000 1.206 273 W CA -0.723 56.589 57.345 -0.055 0.000 1.355 273 W CB 0.519 29.929 29.460 -0.083 0.000 1.278 273 W HN -0.141 nan 8.180 nan 0.000 0.653 274 Q N -0.780 119.140 119.800 0.199 0.000 2.521 274 Q HA 0.015 4.354 4.340 -0.000 0.000 0.215 274 Q C -0.458 175.582 176.000 0.067 0.000 0.750 274 Q CA 0.201 56.064 55.803 0.100 0.000 0.945 274 Q CB 0.493 29.267 28.738 0.060 0.000 1.320 274 Q HN 0.313 nan 8.270 nan 0.000 0.501 275 D N 1.805 122.223 120.400 0.031 0.000 2.639 275 D HA 0.319 4.959 4.640 -0.000 0.000 0.233 275 D C -1.002 175.279 176.300 -0.033 0.000 1.161 275 D CA 0.107 54.103 54.000 -0.007 0.000 1.003 275 D CB 0.737 41.517 40.800 -0.033 0.000 1.034 275 D HN 0.277 nan 8.370 nan 0.000 0.514 276 A N 1.844 124.682 122.820 0.029 0.000 2.366 276 A HA 0.202 4.522 4.320 -0.000 0.000 0.272 276 A C 0.459 178.046 177.584 0.006 0.000 1.135 276 A CA -0.416 51.647 52.037 0.044 0.000 0.804 276 A CB 0.667 19.787 19.000 0.200 0.000 1.064 276 A HN 0.272 nan 8.150 nan 0.000 0.499 277 E N 2.412 122.596 120.200 -0.027 0.000 2.129 277 E HA 0.361 4.710 4.350 -0.000 0.000 0.283 277 E C -0.732 175.882 176.600 0.023 0.000 1.080 277 E CA -0.099 56.292 56.400 -0.014 0.000 0.867 277 E CB 0.517 30.195 29.700 -0.037 0.000 1.056 277 E HN 0.347 nan 8.360 nan 0.000 0.404 278 V N 7.330 127.254 119.914 0.017 0.000 2.455 278 V HA 0.104 4.224 4.120 -0.000 0.000 0.273 278 V C 0.701 176.810 176.094 0.025 0.000 1.045 278 V CA -0.067 62.246 62.300 0.022 0.000 0.976 278 V CB 0.259 32.083 31.823 0.002 0.000 0.993 278 V HN 0.707 nan 8.190 nan 0.000 0.475 279 L N 2.650 123.899 121.223 0.043 0.000 3.168 279 L HA 0.948 5.288 4.340 -0.000 0.000 0.277 279 L C 0.192 177.098 176.870 0.059 0.000 1.245 279 L CA -0.116 54.751 54.840 0.046 0.000 1.035 279 L CB 0.369 42.460 42.059 0.054 0.000 1.399 279 L HN 0.591 nan 8.230 nan 0.000 0.580 280 A N 0.753 123.606 122.820 0.055 0.000 2.068 280 A HA 0.478 4.797 4.320 -0.000 0.000 0.274 280 A C -1.865 175.750 177.584 0.052 0.000 0.977 280 A CA -0.351 51.727 52.037 0.068 0.000 0.824 280 A CB 0.195 19.265 19.000 0.116 0.000 0.867 280 A HN 0.362 nan 8.150 nan 0.000 0.338 281 D N 1.097 121.525 120.400 0.046 0.000 2.552 281 D HA 0.737 5.377 4.640 -0.000 0.000 0.239 281 D C -0.705 175.645 176.300 0.083 0.000 1.139 281 D CA -0.292 53.728 54.000 0.033 0.000 0.914 281 D CB 1.492 42.284 40.800 -0.013 0.000 1.461 281 D HN 0.782 nan 8.370 nan 0.000 0.462 282 H N -1.263 117.784 119.070 -0.038 0.000 2.806 282 H HA 0.582 5.138 4.556 -0.000 0.000 0.367 282 H C -1.453 173.846 175.328 -0.048 0.000 1.136 282 H CA -0.320 55.710 56.048 -0.031 0.000 1.178 282 H CB 2.232 31.983 29.762 -0.019 0.000 1.718 282 H HN 0.289 nan 8.280 nan 0.000 0.540 283 T N 3.191 117.346 114.554 -0.665 0.000 2.829 283 T HA 0.348 4.698 4.350 -0.000 0.000 0.280 283 T C -0.494 173.929 174.700 -0.462 0.000 0.999 283 T CA -0.618 61.236 62.100 -0.409 0.000 0.983 283 T CB 0.827 69.539 68.868 -0.260 0.000 0.968 283 T HN 0.722 nan 8.240 nan 0.000 0.446 284 S N 2.585 118.201 115.700 -0.140 0.000 2.632 284 S HA 0.757 5.227 4.470 -0.000 0.000 0.267 284 S C 0.674 175.259 174.600 -0.024 0.000 1.276 284 S CA -0.759 57.428 58.200 -0.021 0.000 0.998 284 S CB 0.814 64.075 63.200 0.102 0.000 0.953 284 S HN 0.928 nan 8.310 nan 0.000 0.547 285 A N 1.444 124.261 122.820 -0.004 0.000 2.409 285 A HA 0.286 4.605 4.320 -0.000 0.000 0.246 285 A C 0.627 178.247 177.584 0.060 0.000 1.099 285 A CA -0.336 51.712 52.037 0.019 0.000 0.789 285 A CB -0.346 18.677 19.000 0.037 0.000 1.053 285 A HN 0.900 nan 8.150 nan 0.000 0.503 286 E N -0.420 119.815 120.200 0.058 0.000 2.390 286 E HA 0.104 4.454 4.350 -0.000 0.000 0.261 286 E C 0.791 177.476 176.600 0.140 0.000 1.076 286 E CA -0.491 55.957 56.400 0.079 0.000 0.905 286 E CB 0.655 30.388 29.700 0.055 0.000 0.984 286 E HN 0.589 nan 8.360 nan 0.000 0.427 287 L N 2.918 124.253 121.223 0.186 0.000 2.137 287 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 287 L C 2.361 179.332 176.870 0.169 0.000 1.085 287 L CA 2.313 57.286 54.840 0.222 0.000 0.760 287 L CB -0.555 41.636 42.059 0.220 0.000 0.893 287 L HN 0.665 nan 8.230 nan 0.000 0.434 288 S N -1.212 114.574 115.700 0.143 0.000 2.370 288 S HA -0.211 4.258 4.470 -0.000 0.000 0.226 288 S C 1.777 176.464 174.600 0.144 0.000 1.033 288 S CA 1.347 59.633 58.200 0.143 0.000 1.011 288 S CB -0.651 62.627 63.200 0.130 0.000 0.852 288 S HN 0.573 nan 8.310 nan 0.000 0.457 289 E N 1.337 121.618 120.200 0.134 0.000 2.152 289 E HA 0.141 4.491 4.350 -0.000 0.000 0.192 289 E C 2.150 178.853 176.600 0.171 0.000 0.983 289 E CA 0.684 57.169 56.400 0.141 0.000 0.818 289 E CB -0.417 29.352 29.700 0.116 0.000 0.758 289 E HN 0.636 nan 8.360 nan 0.000 0.467 290 I N 0.841 121.499 120.570 0.147 0.000 2.500 290 I HA -0.159 4.010 4.170 -0.000 0.000 0.252 290 I C 2.396 178.656 176.117 0.238 0.000 1.142 290 I CA 0.339 61.712 61.300 0.121 0.000 1.451 290 I CB -0.155 37.834 38.000 -0.017 0.000 1.093 290 I HN 0.022 nan 8.210 nan 0.000 0.430 291 L N 0.296 121.670 121.223 0.251 0.000 2.051 291 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 291 L C 2.608 179.614 176.870 0.226 0.000 1.076 291 L CA 1.434 56.450 54.840 0.293 0.000 0.758 291 L CB -0.618 41.557 42.059 0.194 0.000 0.890 291 L HN 0.134 nan 8.230 nan 0.000 0.433 292 V N 0.382 120.418 119.914 0.204 0.000 2.214 292 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 292 V C -0.100 176.107 176.094 0.188 0.000 1.047 292 V CA 2.437 64.835 62.300 0.163 0.000 0.998 292 V CB -2.029 29.923 31.823 0.214 0.000 0.633 292 V HN 0.375 nan 8.190 nan 0.000 0.446 293 P HA -0.222 nan 4.420 nan 0.000 0.216 293 P C 1.822 179.392 177.300 0.450 0.000 1.153 293 P CA 1.810 65.202 63.100 0.486 0.000 0.848 293 P CB -0.228 31.934 31.700 0.770 0.000 0.787 294 F N 0.702 120.888 119.950 0.395 0.000 2.015 294 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 294 F C 2.169 178.045 175.800 0.128 0.000 1.141 294 F CA 1.707 59.926 58.000 0.365 0.000 1.192 294 F CB -0.417 38.825 39.000 0.403 0.000 0.957 294 F HN -0.273 nan 8.300 nan 0.000 0.491 295 M N 0.184 119.608 119.600 -0.293 0.000 2.349 295 M HA -0.094 4.386 4.480 -0.000 0.000 0.266 295 M C 1.842 177.933 176.300 -0.349 0.000 1.076 295 M CA 1.106 56.094 55.300 -0.520 0.000 1.126 295 M CB -0.870 31.429 32.600 -0.501 0.000 1.392 295 M HN 0.172 nan 8.290 nan 0.000 0.440 296 K N -0.095 120.103 120.400 -0.337 0.000 2.062 296 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 296 K C 1.535 177.757 176.600 -0.630 0.000 1.051 296 K CA 1.327 57.271 56.287 -0.572 0.000 0.941 296 K CB -0.132 31.840 32.500 -0.879 0.000 0.719 296 K HN 0.285 nan 8.250 nan 0.000 0.440 297 F N 0.170 120.042 119.950 -0.131 0.000 2.704 297 F HA 0.191 4.718 4.527 -0.000 0.000 0.304 297 F C 0.653 176.406 175.800 -0.078 0.000 1.094 297 F CA -0.315 57.612 58.000 -0.123 0.000 1.275 297 F CB 0.183 39.096 39.000 -0.145 0.000 1.073 297 F HN -0.169 nan 8.300 nan 0.000 0.586 298 S N 1.202 116.932 115.700 0.050 0.000 3.978 298 S HA -0.278 4.192 4.470 -0.000 0.000 0.402 298 S C -0.081 174.610 174.600 0.151 0.000 0.927 298 S CA 0.131 58.352 58.200 0.035 0.000 1.197 298 S CB -2.197 60.997 63.200 -0.010 0.000 0.855 298 S HN 0.580 nan 8.310 nan 0.000 0.524 299 N N 1.497 120.354 118.700 0.262 0.000 2.420 299 N HA 0.343 5.083 4.740 -0.000 0.000 0.262 299 N C 1.172 176.845 175.510 0.272 0.000 1.144 299 N CA -0.297 52.845 53.050 0.153 0.000 0.952 299 N CB 0.430 38.754 38.487 -0.271 0.000 1.081 299 N HN 0.411 nan 8.380 nan 0.000 0.480 300 N N 2.504 121.315 118.700 0.186 0.000 2.106 300 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 300 N C 1.763 177.412 175.510 0.232 0.000 1.029 300 N CA 1.175 54.358 53.050 0.221 0.000 0.848 300 N CB -0.537 38.044 38.487 0.156 0.000 1.007 300 N HN 0.699 nan 8.380 nan 0.000 0.423 301 G N 0.459 109.371 108.800 0.186 0.000 2.446 301 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.217 301 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.217 301 G C 1.267 176.276 174.900 0.182 0.000 1.168 301 G CA 0.880 46.105 45.100 0.209 0.000 0.771 301 G HN 0.482 nan 8.290 nan 0.000 0.551 302 H N 0.514 119.553 119.070 -0.051 0.000 2.353 302 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 302 H C 2.993 177.978 175.328 -0.572 0.000 1.103 302 H CA 0.705 56.537 56.048 -0.360 0.000 1.293 302 H CB 0.102 29.568 29.762 -0.492 0.000 1.372 302 H HN 0.461 nan 8.280 nan 0.000 0.501 303 A N 1.362 124.040 122.820 -0.237 0.000 1.841 303 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 303 A C 2.230 179.852 177.584 0.063 0.000 1.195 303 A CA 1.472 53.473 52.037 -0.061 0.000 0.611 303 A CB -0.195 19.015 19.000 0.349 0.000 0.835 303 A HN 0.311 nan 8.150 nan 0.000 0.443 304 E N -0.014 120.291 120.200 0.175 0.000 2.049 304 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 304 E C 2.084 178.653 176.600 -0.051 0.000 1.007 304 E CA 1.551 58.063 56.400 0.188 0.000 0.809 304 E CB -0.666 29.250 29.700 0.360 0.000 0.749 304 E HN 0.703 nan 8.360 nan 0.000 0.450 305 M N 0.232 119.820 119.600 -0.019 0.000 2.106 305 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 305 M C 2.457 178.761 176.300 0.006 0.000 1.068 305 M CA 1.339 56.645 55.300 0.009 0.000 1.100 305 M CB -0.366 32.290 32.600 0.093 0.000 1.351 305 M HN 0.060 nan 8.290 nan 0.000 0.404 306 L N -0.976 120.224 121.223 -0.038 0.000 2.093 306 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 306 L C 2.371 179.243 176.870 0.002 0.000 1.085 306 L CA 0.667 55.518 54.840 0.017 0.000 0.755 306 L CB -0.559 41.477 42.059 -0.037 0.000 0.904 306 L HN 0.112 nan 8.230 nan 0.000 0.435 307 V N 0.126 120.020 119.914 -0.033 0.000 2.233 307 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 307 V C 2.462 178.445 176.094 -0.186 0.000 1.050 307 V CA 1.958 64.232 62.300 -0.044 0.000 1.010 307 V CB -0.539 31.311 31.823 0.044 0.000 0.637 307 V HN 0.417 nan 8.190 nan 0.000 0.444 308 K N -0.190 119.938 120.400 -0.454 0.000 2.152 308 K HA -0.147 4.172 4.320 -0.000 0.000 0.206 308 K C 2.443 178.787 176.600 -0.426 0.000 1.048 308 K CA 1.621 57.451 56.287 -0.761 0.000 0.933 308 K CB -0.321 31.187 32.500 -1.654 0.000 0.721 308 K HN 0.336 nan 8.250 nan 0.000 0.447 309 S N 1.188 116.847 115.700 -0.069 0.000 2.368 309 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 309 S C 1.921 176.584 174.600 0.104 0.000 1.030 309 S CA 0.989 59.377 58.200 0.314 0.000 0.999 309 S CB -0.173 63.330 63.200 0.505 0.000 0.844 309 S HN 0.190 nan 8.310 nan 0.000 0.459 310 I N 1.304 121.884 120.570 0.016 0.000 2.127 310 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 310 I C 2.703 178.796 176.117 -0.040 0.000 1.075 310 I CA 1.224 62.513 61.300 -0.018 0.000 1.334 310 I CB -0.996 36.998 38.000 -0.009 0.000 1.040 310 I HN 0.371 nan 8.210 nan 0.000 0.405 311 G N 0.007 108.757 108.800 -0.083 0.000 2.574 311 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 311 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 311 G C 1.590 176.423 174.900 -0.112 0.000 1.173 311 G CA 0.704 45.737 45.100 -0.111 0.000 0.772 311 G HN 0.311 nan 8.290 nan 0.000 0.585 312 Q N -0.030 119.696 119.800 -0.124 0.000 2.096 312 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 312 Q C 2.474 178.440 176.000 -0.057 0.000 0.982 312 Q CA 1.812 57.510 55.803 -0.176 0.000 0.850 312 Q CB -0.206 28.364 28.738 -0.280 0.000 0.901 312 Q HN 0.713 nan 8.270 nan 0.000 0.422 313 E N -0.318 119.886 120.200 0.008 0.000 2.371 313 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 313 E C 1.462 178.063 176.600 0.002 0.000 1.012 313 E CA 1.375 57.792 56.400 0.028 0.000 0.860 313 E CB 0.165 29.866 29.700 0.001 0.000 0.811 313 E HN 0.381 nan 8.360 nan 0.000 0.502 314 T N -3.033 111.511 114.554 -0.016 0.000 3.087 314 T HA 0.356 4.706 4.350 -0.000 0.000 0.237 314 T C 1.795 176.483 174.700 -0.021 0.000 0.990 314 T CA 0.321 62.412 62.100 -0.014 0.000 1.160 314 T CB -0.163 68.697 68.868 -0.014 0.000 0.923 314 T HN 0.108 nan 8.240 nan 0.000 0.442 315 A N 0.623 123.420 122.820 -0.039 0.000 2.343 315 A HA 0.668 4.988 4.320 -0.000 0.000 0.223 315 A C 1.790 179.337 177.584 -0.062 0.000 1.214 315 A CA 0.505 52.515 52.037 -0.044 0.000 0.900 315 A CB -0.589 18.382 19.000 -0.048 0.000 0.942 315 A HN 1.448 nan 8.150 nan 0.000 0.507 316 G N -1.365 107.387 108.800 -0.081 0.000 2.198 316 G HA2 0.213 4.173 3.960 -0.000 0.000 0.257 316 G HA3 0.213 4.173 3.960 -0.000 0.000 0.257 316 G C 0.125 174.922 174.900 -0.172 0.000 1.042 316 G CA 0.330 45.362 45.100 -0.112 0.000 0.791 316 G HN 1.817 nan 8.290 nan 0.000 0.502 317 A N -0.749 121.955 122.820 -0.194 0.000 2.437 317 A HA 0.821 5.141 4.320 -0.000 0.000 0.293 317 A C 0.431 177.864 177.584 -0.251 0.000 1.038 317 A CA 0.399 52.309 52.037 -0.211 0.000 0.708 317 A CB 1.342 20.258 19.000 -0.141 0.000 1.251 317 A HN 1.783 nan 8.150 nan 0.000 0.409 318 G N 1.881 110.515 108.800 -0.277 0.000 2.916 318 G HA2 0.474 4.434 3.960 -0.000 0.000 0.280 318 G HA3 0.474 4.434 3.960 -0.000 0.000 0.280 318 G C -0.077 174.591 174.900 -0.386 0.000 0.758 318 G CA 0.391 45.328 45.100 -0.272 0.000 1.993 318 G HN 0.669 nan 8.290 nan 0.000 0.564 319 T N 0.343 114.668 114.554 -0.381 0.000 2.906 319 T HA 0.270 4.620 4.350 -0.000 0.000 0.295 319 T C 0.302 174.826 174.700 -0.294 0.000 1.075 319 T CA -0.638 61.281 62.100 -0.302 0.000 1.005 319 T CB 1.693 70.473 68.868 -0.146 0.000 1.136 319 T HN 0.381 nan 8.240 nan 0.000 0.498 320 W N 1.308 122.496 121.300 -0.186 0.000 2.408 320 W HA -0.055 4.605 4.660 -0.000 0.000 0.311 320 W C 1.570 178.015 176.519 -0.124 0.000 1.190 320 W CA 1.171 58.417 57.345 -0.165 0.000 1.321 320 W CB -0.527 28.832 29.460 -0.168 0.000 1.143 320 W HN 0.763 nan 8.180 nan 0.000 0.501 321 D N 0.197 120.676 120.400 0.131 0.000 2.092 321 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 321 D C 2.198 178.504 176.300 0.010 0.000 0.994 321 D CA 2.140 56.169 54.000 0.047 0.000 0.828 321 D CB -1.178 39.634 40.800 0.020 0.000 0.963 321 D HN 0.018 nan 8.370 nan 0.000 0.450 322 A N 0.988 123.795 122.820 -0.022 0.000 1.908 322 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 322 A C 2.390 179.947 177.584 -0.044 0.000 1.181 322 A CA 2.461 54.471 52.037 -0.046 0.000 0.627 322 A CB -1.256 17.694 19.000 -0.082 0.000 0.818 322 A HN 0.326 nan 8.150 nan 0.000 0.445 323 G N -0.309 108.456 108.800 -0.058 0.000 2.484 323 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 323 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 323 G C 1.323 176.229 174.900 0.010 0.000 1.219 323 G CA 0.975 46.047 45.100 -0.047 0.000 0.791 323 G HN 0.311 nan 8.290 nan 0.000 0.550 324 L N 0.739 121.991 121.223 0.048 0.000 2.129 324 L HA -0.069 4.270 4.340 -0.000 0.000 0.212 324 L C 3.117 180.002 176.870 0.025 0.000 1.087 324 L CA 0.834 55.704 54.840 0.049 0.000 0.757 324 L CB -1.225 40.863 42.059 0.049 0.000 0.896 324 L HN 0.095 nan 8.230 nan 0.000 0.434 325 V N -0.006 119.916 119.914 0.013 0.000 2.270 325 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 325 V C 2.642 178.743 176.094 0.012 0.000 1.043 325 V CA 1.850 64.154 62.300 0.007 0.000 1.014 325 V CB -1.127 30.694 31.823 -0.002 0.000 0.645 325 V HN 0.532 nan 8.190 nan 0.000 0.447 326 G N -0.226 108.578 108.800 0.007 0.000 2.476 326 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 326 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 326 G C 1.686 176.604 174.900 0.031 0.000 1.164 326 G CA 1.417 46.524 45.100 0.011 0.000 0.768 326 G HN 0.364 nan 8.290 nan 0.000 0.560 327 V N 0.780 120.719 119.914 0.042 0.000 2.231 327 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 327 V C 2.757 178.896 176.094 0.075 0.000 1.054 327 V CA 2.320 64.662 62.300 0.071 0.000 1.015 327 V CB -0.471 31.402 31.823 0.085 0.000 0.638 327 V HN 0.414 nan 8.190 nan 0.000 0.444 328 E N 0.293 120.523 120.200 0.051 0.000 2.049 328 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 328 E C 2.216 178.845 176.600 0.049 0.000 1.007 328 E CA 2.145 58.571 56.400 0.044 0.000 0.809 328 E CB -0.222 29.489 29.700 0.019 0.000 0.749 328 E HN 0.738 nan 8.360 nan 0.000 0.450 329 E N 0.022 120.245 120.200 0.038 0.000 2.038 329 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 329 E C 2.077 178.706 176.600 0.048 0.000 1.000 329 E CA 1.188 57.609 56.400 0.035 0.000 0.803 329 E CB -0.230 29.484 29.700 0.024 0.000 0.750 329 E HN 0.338 nan 8.360 nan 0.000 0.448 330 A N 0.954 123.807 122.820 0.055 0.000 1.978 330 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 330 A C 2.170 179.807 177.584 0.089 0.000 1.170 330 A CA 1.119 53.197 52.037 0.069 0.000 0.636 330 A CB -0.532 18.509 19.000 0.068 0.000 0.810 330 A HN 0.119 nan 8.150 nan 0.000 0.448 331 L N -0.929 120.356 121.223 0.103 0.000 2.023 331 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 331 L C 2.878 179.806 176.870 0.097 0.000 1.073 331 L CA 1.412 56.329 54.840 0.129 0.000 0.745 331 L CB -0.452 41.719 42.059 0.188 0.000 0.900 331 L HN 0.295 nan 8.230 nan 0.000 0.435 332 S N 0.108 115.854 115.700 0.076 0.000 2.383 332 S HA -0.170 4.299 4.470 -0.000 0.000 0.229 332 S C 1.943 176.570 174.600 0.045 0.000 1.030 332 S CA 1.319 59.552 58.200 0.055 0.000 1.002 332 S CB -0.692 62.533 63.200 0.042 0.000 0.829 332 S HN 0.625 nan 8.310 nan 0.000 0.467 333 G N 0.371 109.199 108.800 0.047 0.000 2.535 333 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 333 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 333 G C 1.137 176.060 174.900 0.038 0.000 1.122 333 G CA 0.375 45.499 45.100 0.040 0.000 0.769 333 G HN 0.434 nan 8.290 nan 0.000 0.549 334 L N -0.274 120.978 121.223 0.047 0.000 2.585 334 L HA 0.431 4.770 4.340 -0.000 0.000 0.226 334 L C 1.693 178.571 176.870 0.012 0.000 1.113 334 L CA 1.126 55.983 54.840 0.029 0.000 0.876 334 L CB 0.296 42.389 42.059 0.057 0.000 1.072 334 L HN 0.294 nan 8.230 nan 0.000 0.468 335 G N -0.363 108.452 108.800 0.026 0.000 2.140 335 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.211 335 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.211 335 G C -0.026 174.895 174.900 0.036 0.000 1.013 335 G CA 0.074 45.187 45.100 0.022 0.000 0.705 335 G HN 0.133 nan 8.290 nan 0.000 0.508 336 V N 0.837 120.786 119.914 0.059 0.000 2.546 336 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 336 V C 0.535 176.678 176.094 0.082 0.000 1.050 336 V CA -0.489 61.863 62.300 0.087 0.000 0.981 336 V CB 1.804 33.711 31.823 0.140 0.000 0.990 336 V HN 0.310 nan 8.190 nan 0.000 0.474 337 D N 3.683 124.131 120.400 0.080 0.000 2.508 337 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 337 D C 1.114 177.454 176.300 0.067 0.000 1.171 337 D CA -0.102 53.936 54.000 0.062 0.000 1.006 337 D CB 0.632 41.463 40.800 0.051 0.000 1.073 337 D HN 0.758 nan 8.370 nan 0.000 0.513 338 T N -0.073 114.518 114.554 0.061 0.000 3.667 338 T HA 0.316 4.666 4.350 -0.000 0.000 0.240 338 T C 1.259 175.967 174.700 0.014 0.000 0.919 338 T CA -0.170 61.955 62.100 0.042 0.000 0.928 338 T CB 0.368 69.260 68.868 0.040 0.000 1.151 338 T HN 0.172 nan 8.240 nan 0.000 0.644 339 A N 1.004 123.834 122.820 0.017 0.000 1.984 339 A HA 0.486 4.806 4.320 -0.000 0.000 0.214 339 A C 2.372 179.954 177.584 -0.003 0.000 1.173 339 A CA 0.574 52.615 52.037 0.007 0.000 0.673 339 A CB -0.755 18.253 19.000 0.012 0.000 0.830 339 A HN 0.646 nan 8.150 nan 0.000 0.453 340 G N -0.905 107.896 108.800 0.001 0.000 2.880 340 G HA2 0.299 4.259 3.960 -0.000 0.000 0.209 340 G HA3 0.299 4.259 3.960 -0.000 0.000 0.209 340 G C 0.517 175.391 174.900 -0.043 0.000 1.157 340 G CA -0.207 44.887 45.100 -0.009 0.000 0.779 340 G HN 0.361 nan 8.290 nan 0.000 0.539 341 L N 1.369 122.550 121.223 -0.070 0.000 2.380 341 L HA 0.376 4.716 4.340 -0.000 0.000 0.273 341 L C -0.589 176.220 176.870 -0.103 0.000 1.138 341 L CA -0.365 54.391 54.840 -0.140 0.000 0.832 341 L CB 1.860 43.806 42.059 -0.188 0.000 1.124 341 L HN -0.174 nan 8.230 nan 0.000 0.454 342 V N 5.367 125.212 119.914 -0.116 0.000 2.419 342 V HA 0.273 4.392 4.120 -0.000 0.000 0.287 342 V C -0.098 175.934 176.094 -0.104 0.000 1.017 342 V CA -0.625 61.622 62.300 -0.088 0.000 0.844 342 V CB 1.653 33.436 31.823 -0.067 0.000 1.011 342 V HN 0.430 nan 8.190 nan 0.000 0.429 343 L N 3.974 125.141 121.223 -0.094 0.000 2.305 343 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 343 L C 0.778 177.601 176.870 -0.078 0.000 1.085 343 L CA 0.382 55.172 54.840 -0.085 0.000 0.813 343 L CB 0.999 43.023 42.059 -0.058 0.000 1.157 343 L HN 0.658 nan 8.230 nan 0.000 0.436 344 N N 0.724 119.371 118.700 -0.089 0.000 2.325 344 N HA 0.005 4.745 4.740 -0.000 0.000 0.220 344 N C -0.469 174.914 175.510 -0.212 0.000 1.176 344 N CA 0.172 53.135 53.050 -0.145 0.000 0.861 344 N CB 1.064 39.461 38.487 -0.151 0.000 1.230 344 N HN 0.794 nan 8.380 nan 0.000 0.479 345 D N -2.712 117.627 120.400 -0.101 0.000 2.626 345 D HA 0.369 5.009 4.640 -0.000 0.000 0.278 345 D C 0.885 177.261 176.300 0.126 0.000 1.211 345 D CA -0.556 53.420 54.000 -0.041 0.000 0.903 345 D CB 0.550 41.337 40.800 -0.023 0.000 1.408 345 D HN -0.066 nan 8.370 nan 0.000 0.454 346 G N -0.901 108.045 108.800 0.244 0.000 2.492 346 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.214 346 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.214 346 G C 1.205 176.274 174.900 0.281 0.000 1.147 346 G CA 0.944 46.197 45.100 0.256 0.000 0.809 346 G HN 0.570 nan 8.290 nan 0.000 0.533 347 S N -0.568 115.310 115.700 0.297 0.000 2.395 347 S HA 0.325 4.794 4.470 -0.000 0.000 0.225 347 S C 1.995 176.710 174.600 0.190 0.000 1.027 347 S CA 1.323 59.691 58.200 0.280 0.000 0.965 347 S CB -0.150 63.217 63.200 0.277 0.000 0.812 347 S HN 1.475 nan 8.310 nan 0.000 0.482 348 G N 0.757 109.650 108.800 0.156 0.000 2.179 348 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 348 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 348 G C 0.529 175.449 174.900 0.034 0.000 0.990 348 G CA 0.252 45.403 45.100 0.084 0.000 0.646 348 G HN 0.437 nan 8.290 nan 0.000 0.517 349 L N 1.094 122.346 121.223 0.049 0.000 2.141 349 L HA 0.140 4.480 4.340 -0.000 0.000 0.209 349 L C 1.999 178.817 176.870 -0.086 0.000 1.094 349 L CA 1.627 56.403 54.840 -0.106 0.000 0.763 349 L CB -0.437 41.429 42.059 -0.322 0.000 0.908 349 L HN 0.470 nan 8.230 nan 0.000 0.437 350 S N -0.297 115.513 115.700 0.185 0.000 2.573 350 S HA -0.002 4.468 4.470 -0.000 0.000 0.277 350 S C 1.235 175.808 174.600 -0.045 0.000 1.346 350 S CA -0.269 58.012 58.200 0.134 0.000 1.034 350 S CB 0.723 63.969 63.200 0.075 0.000 0.879 350 S HN 0.285 nan 8.310 nan 0.000 0.528 351 R N 2.697 123.134 120.500 -0.104 0.000 2.280 351 R HA 0.100 4.439 4.340 -0.000 0.000 0.195 351 R C 1.666 177.925 176.300 -0.067 0.000 0.935 351 R CA 0.600 56.635 56.100 -0.108 0.000 1.033 351 R CB -0.272 29.945 30.300 -0.140 0.000 0.964 351 R HN 0.727 nan 8.270 nan 0.000 0.489 352 G N 1.364 110.123 108.800 -0.068 0.000 3.332 352 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.242 352 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.242 352 G C -0.086 174.774 174.900 -0.067 0.000 1.276 352 G CA -0.261 44.798 45.100 -0.068 0.000 0.988 352 G HN 0.107 nan 8.290 nan 0.000 0.517 353 N N 0.340 119.005 118.700 -0.058 0.000 2.399 353 N HA 0.609 5.349 4.740 -0.000 0.000 0.295 353 N C -0.896 174.579 175.510 -0.058 0.000 1.048 353 N CA -0.218 52.795 53.050 -0.061 0.000 0.886 353 N CB 2.366 40.827 38.487 -0.043 0.000 1.185 353 N HN -0.011 nan 8.380 nan 0.000 0.487 354 L N 1.257 122.433 121.223 -0.078 0.000 2.455 354 L HA 0.617 4.957 4.340 -0.000 0.000 0.264 354 L C -0.447 176.366 176.870 -0.095 0.000 0.968 354 L CA -1.032 53.770 54.840 -0.064 0.000 0.827 354 L CB 2.169 44.198 42.059 -0.050 0.000 1.317 354 L HN 0.259 nan 8.230 nan 0.000 0.407 355 V N -0.977 118.907 119.914 -0.051 0.000 3.130 355 V HA 0.882 5.002 4.120 -0.000 0.000 0.310 355 V C -0.362 175.747 176.094 0.025 0.000 1.158 355 V CA -0.556 61.724 62.300 -0.034 0.000 1.029 355 V CB 2.006 33.844 31.823 0.024 0.000 1.057 355 V HN 0.814 nan 8.190 nan 0.000 0.436 356 T N -1.044 113.544 114.554 0.058 0.000 2.932 356 T HA 0.772 5.122 4.350 -0.000 0.000 0.289 356 T C 1.072 175.832 174.700 0.099 0.000 1.039 356 T CA 0.001 62.142 62.100 0.067 0.000 1.024 356 T CB 1.753 70.654 68.868 0.054 0.000 1.090 356 T HN 1.746 nan 8.240 nan 0.000 0.496 357 A N 1.006 123.878 122.820 0.087 0.000 1.933 357 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 357 A C 2.028 179.666 177.584 0.089 0.000 1.175 357 A CA 1.676 53.768 52.037 0.091 0.000 0.628 357 A CB -1.021 18.033 19.000 0.089 0.000 0.814 357 A HN 0.958 nan 8.150 nan 0.000 0.444 358 D N -0.636 119.813 120.400 0.083 0.000 2.144 358 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 358 D C 1.923 178.280 176.300 0.095 0.000 0.978 358 D CA 1.785 55.831 54.000 0.076 0.000 0.833 358 D CB -0.173 40.664 40.800 0.062 0.000 0.961 358 D HN 0.440 nan 8.370 nan 0.000 0.470 359 T N 0.558 115.189 114.554 0.128 0.000 2.720 359 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 359 T C 2.251 177.103 174.700 0.252 0.000 1.037 359 T CA 0.809 63.029 62.100 0.200 0.000 1.144 359 T CB -0.304 68.695 68.868 0.219 0.000 0.864 359 T HN 0.003 nan 8.240 nan 0.000 0.444 360 V N 0.852 120.893 119.914 0.213 0.000 2.379 360 V HA -0.096 4.023 4.120 -0.000 0.000 0.245 360 V C 2.667 178.750 176.094 -0.018 0.000 1.044 360 V CA 0.994 63.333 62.300 0.064 0.000 1.036 360 V CB -0.720 31.140 31.823 0.063 0.000 0.664 360 V HN 0.293 nan 8.190 nan 0.000 0.453 361 V N 0.216 120.144 119.914 0.023 0.000 2.295 361 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 361 V C 2.472 178.584 176.094 0.030 0.000 1.049 361 V CA 2.348 64.658 62.300 0.017 0.000 1.024 361 V CB -0.576 31.273 31.823 0.044 0.000 0.648 361 V HN 0.592 nan 8.190 nan 0.000 0.447 362 D N -0.133 120.295 120.400 0.047 0.000 2.116 362 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 362 D C 2.094 178.412 176.300 0.031 0.000 0.998 362 D CA 1.695 55.723 54.000 0.047 0.000 0.836 362 D CB -0.102 40.737 40.800 0.066 0.000 0.951 362 D HN 0.325 nan 8.370 nan 0.000 0.449 363 L N 0.729 121.957 121.223 0.008 0.000 2.017 363 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 363 L C 2.435 179.304 176.870 -0.002 0.000 1.073 363 L CA 1.425 56.234 54.840 -0.050 0.000 0.745 363 L CB -0.743 41.161 42.059 -0.258 0.000 0.894 363 L HN 0.077 nan 8.230 nan 0.000 0.432 364 L N -0.650 120.584 121.223 0.019 0.000 2.083 364 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 364 L C 2.505 179.532 176.870 0.262 0.000 1.083 364 L CA 1.168 56.092 54.840 0.140 0.000 0.752 364 L CB -1.372 40.607 42.059 -0.133 0.000 0.899 364 L HN 0.482 nan 8.230 nan 0.000 0.433 365 G N -0.727 108.149 108.800 0.126 0.000 2.511 365 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 365 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 365 G C 1.427 176.345 174.900 0.031 0.000 1.218 365 G CA 0.339 45.496 45.100 0.095 0.000 0.788 365 G HN 0.293 nan 8.290 nan 0.000 0.560 366 Q N 0.650 120.443 119.800 -0.013 0.000 2.135 366 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 366 Q C 2.930 178.809 176.000 -0.202 0.000 0.981 366 Q CA 1.475 57.224 55.803 -0.089 0.000 0.856 366 Q CB -0.781 27.915 28.738 -0.069 0.000 0.902 366 Q HN 0.467 nan 8.270 nan 0.000 0.425 367 A N 1.297 124.014 122.820 -0.172 0.000 1.883 367 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 367 A C 2.441 179.776 177.584 -0.415 0.000 1.186 367 A CA 1.906 53.706 52.037 -0.395 0.000 0.624 367 A CB -1.264 17.563 19.000 -0.288 0.000 0.822 367 A HN 0.458 nan 8.150 nan 0.000 0.444 368 G N -0.070 108.636 108.800 -0.156 0.000 2.446 368 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 368 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 368 G C 1.849 176.608 174.900 -0.234 0.000 1.168 368 G CA 1.800 46.777 45.100 -0.206 0.000 0.771 368 G HN 0.928 nan 8.290 nan 0.000 0.551 369 S N 0.358 115.923 115.700 -0.224 0.000 2.561 369 S HA 0.549 5.019 4.470 -0.000 0.000 0.225 369 S C 1.305 175.717 174.600 -0.313 0.000 0.977 369 S CA 0.467 58.538 58.200 -0.214 0.000 0.926 369 S CB -0.039 63.070 63.200 -0.150 0.000 0.769 369 S HN 0.633 nan 8.310 nan 0.000 0.533 370 A N 3.067 125.578 122.820 -0.516 0.000 2.327 370 A HA 0.508 4.828 4.320 -0.000 0.000 0.255 370 A C -0.498 176.671 177.584 -0.692 0.000 1.099 370 A CA -1.287 50.284 52.037 -0.778 0.000 0.801 370 A CB -0.016 18.072 19.000 -1.519 0.000 1.062 370 A HN 0.300 nan 8.150 nan 0.000 0.496 371 P HA -0.124 nan 4.420 nan 0.000 0.217 371 P C 1.270 178.441 177.300 -0.215 0.000 1.151 371 P CA 1.551 64.443 63.100 -0.347 0.000 0.828 371 P CB -0.157 31.417 31.700 -0.210 0.000 0.788 372 W N 0.028 121.310 121.300 -0.031 0.000 2.443 372 W HA 0.256 4.916 4.660 -0.000 0.000 0.296 372 W C 1.874 178.419 176.519 0.042 0.000 1.202 372 W CA 0.473 57.827 57.345 0.015 0.000 1.312 372 W CB -1.915 27.567 29.460 0.036 0.000 1.120 372 W HN 0.022 nan 8.180 nan 0.000 0.536 373 A N 1.951 124.833 122.820 0.104 0.000 1.860 373 A HA -0.466 3.853 4.320 -0.000 0.000 0.366 373 A C 1.870 179.651 177.584 0.329 0.000 4.748 373 A CA 3.746 55.845 52.037 0.104 0.000 1.055 373 A CB -1.690 17.256 19.000 -0.091 0.000 1.321 373 A HN 0.416 nan 8.150 nan 0.000 0.660 374 Q N -1.280 118.640 119.800 0.201 0.000 2.046 374 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 374 Q C 1.945 178.072 176.000 0.212 0.000 0.975 374 Q CA 1.861 57.765 55.803 0.169 0.000 0.836 374 Q CB -1.098 27.699 28.738 0.098 0.000 0.896 374 Q HN 0.946 nan 8.270 nan 0.000 0.428 375 T N 0.588 115.292 114.554 0.249 0.000 3.624 375 T HA 0.067 4.416 4.350 -0.000 0.000 0.231 375 T C 0.383 175.295 174.700 0.354 0.000 0.865 375 T CA -0.160 62.086 62.100 0.244 0.000 0.926 375 T CB -0.618 68.372 68.868 0.203 0.000 1.189 375 T HN 0.544 nan 8.240 nan 0.000 0.640 376 W N 0.483 121.880 121.300 0.161 0.000 4.811 376 W HA 0.099 4.759 4.660 -0.000 0.000 0.178 376 W C 1.366 177.963 176.519 0.131 0.000 1.104 376 W CA 0.556 58.001 57.345 0.166 0.000 1.779 376 W CB -0.476 29.194 29.460 0.350 0.000 0.601 376 W HN 0.387 nan 8.180 nan 0.000 1.017 377 S N 1.722 117.415 115.700 -0.012 0.000 2.522 377 S HA 0.163 4.633 4.470 -0.000 0.000 0.227 377 S C 1.800 176.353 174.600 -0.078 0.000 0.986 377 S CA 0.886 59.001 58.200 -0.142 0.000 0.929 377 S CB -0.346 62.887 63.200 0.054 0.000 0.769 377 S HN 0.289 nan 8.310 nan 0.000 0.529 378 A N 2.030 124.846 122.820 -0.006 0.000 2.119 378 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 378 A C 2.307 179.870 177.584 -0.035 0.000 1.152 378 A CA 1.081 53.119 52.037 0.002 0.000 0.708 378 A CB -0.696 18.336 19.000 0.054 0.000 0.805 378 A HN 0.706 nan 8.150 nan 0.000 0.460 379 S N -0.575 115.073 115.700 -0.086 0.000 2.478 379 S HA 0.237 4.707 4.470 -0.000 0.000 0.222 379 S C 0.621 175.085 174.600 -0.226 0.000 1.008 379 S CA -0.284 57.843 58.200 -0.120 0.000 0.928 379 S CB -0.541 62.593 63.200 -0.109 0.000 0.781 379 S HN 0.364 nan 8.310 nan 0.000 0.518 380 L N 3.140 124.200 121.223 -0.272 0.000 2.426 380 L HA 0.339 4.679 4.340 -0.000 0.000 0.271 380 L C -2.299 174.449 176.870 -0.203 0.000 1.169 380 L CA -2.234 52.436 54.840 -0.284 0.000 0.836 380 L CB -0.020 41.859 42.059 -0.300 0.000 1.112 380 L HN 0.043 nan 8.230 nan 0.000 0.465 381 P HA -0.031 nan 4.420 nan 0.000 0.261 381 P C -0.522 176.713 177.300 -0.109 0.000 1.183 381 P CA -0.021 62.975 63.100 -0.172 0.000 0.761 381 P CB 0.414 32.012 31.700 -0.171 0.000 0.785 382 V N 3.824 123.688 119.914 -0.082 0.000 2.389 382 V HA 0.233 4.352 4.120 -0.000 0.000 0.264 382 V C 1.126 177.194 176.094 -0.043 0.000 1.049 382 V CA -0.649 61.622 62.300 -0.048 0.000 0.932 382 V CB 0.119 31.923 31.823 -0.032 0.000 1.011 382 V HN 0.652 nan 8.190 nan 0.000 0.475 383 A N 4.504 127.305 122.820 -0.032 0.000 2.537 383 A HA 0.496 4.816 4.320 -0.000 0.000 0.260 383 A C 1.406 178.973 177.584 -0.028 0.000 1.082 383 A CA 0.674 52.694 52.037 -0.028 0.000 0.765 383 A CB -0.675 18.317 19.000 -0.013 0.000 1.019 383 A HN 2.126 nan 8.150 nan 0.000 0.507 384 G N 1.991 110.775 108.800 -0.026 0.000 2.141 384 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.195 384 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.195 384 G C -0.339 174.553 174.900 -0.013 0.000 1.012 384 G CA 0.041 45.129 45.100 -0.020 0.000 0.696 384 G HN 0.761 nan 8.290 nan 0.000 0.508 385 E N 0.155 120.349 120.200 -0.011 0.000 2.183 385 E HA 0.534 4.884 4.350 -0.000 0.000 0.271 385 E C 0.975 177.582 176.600 0.012 0.000 0.919 385 E CA -0.292 56.109 56.400 0.000 0.000 0.781 385 E CB 1.657 31.356 29.700 -0.001 0.000 1.140 385 E HN 0.032 nan 8.360 nan 0.000 0.402 386 S N 1.358 117.071 115.700 0.022 0.000 2.370 386 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 386 S C 0.739 175.373 174.600 0.056 0.000 1.033 386 S CA 1.017 59.237 58.200 0.034 0.000 1.011 386 S CB -0.016 63.203 63.200 0.032 0.000 0.852 386 S HN 0.499 nan 8.310 nan 0.000 0.457 387 D N 1.401 121.840 120.400 0.065 0.000 2.382 387 D HA 0.081 4.720 4.640 -0.000 0.000 0.259 387 D C -1.879 174.496 176.300 0.124 0.000 1.224 387 D CA -1.851 52.214 54.000 0.109 0.000 0.894 387 D CB 1.272 42.137 40.800 0.109 0.000 1.127 387 D HN 0.037 nan 8.370 nan 0.000 0.487 388 P HA -0.082 nan 4.420 nan 0.000 0.217 388 P C 0.909 178.219 177.300 0.016 0.000 1.150 388 P CA 0.842 64.052 63.100 0.183 0.000 0.832 388 P CB 0.007 31.895 31.700 0.314 0.000 0.787 389 F N -1.877 118.148 119.950 0.126 0.000 2.816 389 F HA 0.005 4.532 4.527 -0.000 0.000 0.302 389 F C 1.822 177.582 175.800 -0.066 0.000 1.178 389 F CA 0.558 58.560 58.000 0.004 0.000 1.421 389 F CB -0.240 38.829 39.000 0.115 0.000 1.114 389 F HN -0.217 nan 8.300 nan 0.000 0.573 390 V N -1.822 118.128 119.914 0.060 0.000 3.058 390 V HA 0.169 4.288 4.120 -0.000 0.000 0.233 390 V C 2.305 178.362 176.094 -0.063 0.000 1.255 390 V CA 1.143 63.446 62.300 0.005 0.000 1.267 390 V CB -0.176 31.671 31.823 0.039 0.000 1.049 390 V HN 0.244 nan 8.190 nan 0.000 0.486 391 G N -0.348 108.421 108.800 -0.052 0.000 2.430 391 G HA2 0.306 4.266 3.960 -0.000 0.000 0.216 391 G HA3 0.306 4.266 3.960 -0.000 0.000 0.216 391 G C 1.186 176.010 174.900 -0.127 0.000 1.146 391 G CA 1.211 46.273 45.100 -0.064 0.000 0.793 391 G HN 0.918 nan 8.290 nan 0.000 0.537 392 G N -0.115 108.550 108.800 -0.225 0.000 2.622 392 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.307 392 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.307 392 G C 1.298 176.120 174.900 -0.128 0.000 1.226 392 G CA 2.092 46.975 45.100 -0.361 0.000 0.997 392 G HN 1.298 nan 8.290 nan 0.000 0.551 393 T N -0.908 113.577 114.554 -0.115 0.000 3.122 393 T HA 0.555 4.904 4.350 -0.000 0.000 0.250 393 T C 1.844 176.516 174.700 -0.047 0.000 1.067 393 T CA 1.080 63.154 62.100 -0.043 0.000 0.966 393 T CB 0.179 69.024 68.868 -0.039 0.000 1.002 393 T HN 0.489 nan 8.240 nan 0.000 0.542 394 L N 0.198 121.384 121.223 -0.060 0.000 2.728 394 L HA 0.518 4.858 4.340 -0.000 0.000 0.238 394 L C 2.617 179.467 176.870 -0.033 0.000 1.143 394 L CA 0.045 54.859 54.840 -0.045 0.000 0.937 394 L CB -0.187 41.844 42.059 -0.047 0.000 1.225 394 L HN 0.310 nan 8.230 nan 0.000 0.507 395 A N 0.803 123.607 122.820 -0.028 0.000 1.892 395 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 395 A C 1.573 179.152 177.584 -0.007 0.000 1.188 395 A CA 1.790 53.820 52.037 -0.011 0.000 0.631 395 A CB -0.360 18.645 19.000 0.008 0.000 0.822 395 A HN 0.470 nan 8.150 nan 0.000 0.447 396 N N 0.197 118.892 118.700 -0.007 0.000 2.346 396 N HA 0.149 4.889 4.740 -0.000 0.000 0.225 396 N C -0.326 175.175 175.510 -0.015 0.000 1.144 396 N CA 0.235 53.281 53.050 -0.008 0.000 0.837 396 N CB 0.201 38.684 38.487 -0.006 0.000 1.069 396 N HN 0.454 nan 8.380 nan 0.000 0.487 397 R N -0.282 120.206 120.500 -0.019 0.000 2.621 397 R HA 0.371 4.711 4.340 -0.000 0.000 0.284 397 R C 0.095 176.380 176.300 -0.026 0.000 0.998 397 R CA -0.642 55.443 56.100 -0.025 0.000 0.895 397 R CB 1.647 31.930 30.300 -0.029 0.000 1.195 397 R HN 0.026 nan 8.270 nan 0.000 0.450 398 M N 1.246 120.829 119.600 -0.028 0.000 2.297 398 M HA -0.269 4.211 4.480 -0.000 0.000 0.200 398 M C -0.495 175.791 176.300 -0.024 0.000 0.414 398 M CA 1.018 56.300 55.300 -0.029 0.000 0.449 398 M CB -1.179 31.400 32.600 -0.036 0.000 1.436 398 M HN 0.481 nan 8.290 nan 0.000 0.912 399 R N 0.519 121.008 120.500 -0.018 0.000 2.390 399 R HA 0.389 4.729 4.340 -0.000 0.000 0.291 399 R C 1.273 177.566 176.300 -0.012 0.000 1.070 399 R CA 0.864 56.956 56.100 -0.013 0.000 1.014 399 R CB 0.927 31.221 30.300 -0.009 0.000 1.007 399 R HN 0.617 nan 8.270 nan 0.000 0.466 400 G N 2.111 110.905 108.800 -0.009 0.000 2.246 400 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 400 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 400 G C 0.183 175.078 174.900 -0.008 0.000 1.055 400 G CA 0.762 45.858 45.100 -0.006 0.000 0.851 400 G HN 0.724 nan 8.290 nan 0.000 0.500 401 T N -4.671 109.876 114.554 -0.012 0.000 2.807 401 T HA 0.829 5.179 4.350 -0.000 0.000 0.277 401 T C 1.573 176.267 174.700 -0.010 0.000 1.006 401 T CA 0.293 62.386 62.100 -0.013 0.000 1.006 401 T CB 1.573 70.427 68.868 -0.024 0.000 1.274 401 T HN 1.284 nan 8.240 nan 0.000 0.569 402 A N -0.038 122.779 122.820 -0.004 0.000 2.015 402 A HA 0.352 4.672 4.320 -0.000 0.000 0.219 402 A C 2.467 180.027 177.584 -0.042 0.000 1.163 402 A CA 1.516 53.559 52.037 0.010 0.000 0.646 402 A CB -1.449 17.576 19.000 0.041 0.000 0.806 402 A HN 1.194 nan 8.150 nan 0.000 0.448 403 A N -0.241 122.550 122.820 -0.049 0.000 1.969 403 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 403 A C 1.149 178.687 177.584 -0.078 0.000 1.169 403 A CA 0.652 52.648 52.037 -0.069 0.000 0.635 403 A CB -0.414 18.555 19.000 -0.052 0.000 0.810 403 A HN 0.598 nan 8.150 nan 0.000 0.445 404 E N -0.417 119.749 120.200 -0.057 0.000 2.765 404 E HA 0.149 4.499 4.350 -0.000 0.000 0.256 404 E C 1.296 177.859 176.600 -0.062 0.000 0.935 404 E CA 0.653 57.025 56.400 -0.046 0.000 0.954 404 E CB -0.089 29.594 29.700 -0.027 0.000 0.908 404 E HN 0.722 nan 8.360 nan 0.000 0.500 405 G N 2.578 111.350 108.800 -0.047 0.000 2.228 405 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.270 405 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.270 405 G C 0.756 175.613 174.900 -0.072 0.000 0.976 405 G CA 0.617 45.690 45.100 -0.045 0.000 0.636 405 G HN 0.458 nan 8.290 nan 0.000 0.542 406 V N -0.228 119.615 119.914 -0.117 0.000 2.721 406 V HA 0.204 4.323 4.120 -0.000 0.000 0.236 406 V C 1.791 177.847 176.094 -0.063 0.000 1.116 406 V CA 0.848 63.042 62.300 -0.176 0.000 1.148 406 V CB 0.208 31.764 31.823 -0.445 0.000 0.886 406 V HN 0.205 nan 8.190 nan 0.000 0.490 407 V N 2.246 122.141 119.914 -0.032 0.000 2.529 407 V HA 0.079 4.199 4.120 -0.000 0.000 0.292 407 V C -0.007 176.116 176.094 0.048 0.000 1.028 407 V CA 0.338 62.670 62.300 0.053 0.000 1.074 407 V CB 0.224 32.088 31.823 0.068 0.000 0.958 407 V HN 0.531 nan 8.190 nan 0.000 0.481 408 E N 3.704 123.951 120.200 0.079 0.000 2.165 408 E HA 0.748 5.098 4.350 -0.000 0.000 0.266 408 E C -0.332 176.246 176.600 -0.036 0.000 0.889 408 E CA -0.343 56.072 56.400 0.025 0.000 0.756 408 E CB 1.983 31.723 29.700 0.067 0.000 1.131 408 E HN 0.838 nan 8.360 nan 0.000 0.411 409 A N 2.929 125.690 122.820 -0.098 0.000 2.602 409 A HA 0.689 5.009 4.320 -0.000 0.000 0.290 409 A C -1.538 175.926 177.584 -0.199 0.000 1.114 409 A CA -0.836 51.092 52.037 -0.181 0.000 0.683 409 A CB 1.773 20.766 19.000 -0.013 0.000 1.281 409 A HN 0.373 nan 8.150 nan 0.000 0.416 410 K N 0.694 120.957 120.400 -0.228 0.000 2.323 410 K HA 0.637 4.957 4.320 -0.000 0.000 0.259 410 K C 0.077 176.601 176.600 -0.125 0.000 0.947 410 K CA 0.262 56.428 56.287 -0.201 0.000 0.819 410 K CB 1.291 33.639 32.500 -0.253 0.000 1.109 410 K HN 0.966 nan 8.250 nan 0.000 0.429 411 T N -0.225 114.267 114.554 -0.103 0.000 2.824 411 T HA 0.762 5.112 4.350 -0.000 0.000 0.277 411 T C 0.292 174.957 174.700 -0.058 0.000 0.975 411 T CA -0.626 61.435 62.100 -0.065 0.000 0.966 411 T CB 1.440 70.271 68.868 -0.062 0.000 1.054 411 T HN 0.627 nan 8.240 nan 0.000 0.533 412 G N 1.034 109.810 108.800 -0.039 0.000 2.718 412 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 -0.710 174.174 174.900 -0.026 0.000 2.393 412 G CA -0.808 44.273 45.100 -0.032 0.000 0.854 412 G HN 0.848 nan 8.290 nan 0.000 0.388 413 T N 2.719 117.246 114.554 -0.046 0.000 2.829 413 T HA 0.778 5.128 4.350 -0.000 0.000 0.282 413 T C 0.435 175.091 174.700 -0.072 0.000 0.990 413 T CA -0.329 61.747 62.100 -0.040 0.000 1.028 413 T CB 1.903 70.742 68.868 -0.049 0.000 0.951 413 T HN 0.418 nan 8.240 nan 0.000 0.460 414 M N 0.874 120.450 119.600 -0.040 0.000 2.846 414 M HA 0.447 4.927 4.480 -0.000 0.000 0.282 414 M C 0.243 176.537 176.300 -0.010 0.000 1.266 414 M CA -1.041 54.221 55.300 -0.065 0.000 0.766 414 M CB 2.119 34.673 32.600 -0.076 0.000 1.739 414 M HN 0.614 nan 8.290 nan 0.000 0.442 415 S N 0.078 115.790 115.700 0.020 0.000 2.525 415 S HA 0.309 4.779 4.470 -0.000 0.000 0.285 415 S C 0.977 175.564 174.600 -0.022 0.000 1.283 415 S CA 0.908 59.136 58.200 0.048 0.000 1.072 415 S CB -0.098 63.204 63.200 0.169 0.000 0.867 415 S HN 1.009 nan 8.310 nan 0.000 0.492 416 G N 2.693 111.409 108.800 -0.140 0.000 2.296 416 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.282 416 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.282 416 G C -0.010 174.675 174.900 -0.359 0.000 1.014 416 G CA 0.467 45.302 45.100 -0.442 0.000 0.812 416 G HN 1.239 nan 8.290 nan 0.000 0.508 417 V N -0.667 119.221 119.914 -0.042 0.000 2.711 417 V HA 0.789 4.908 4.120 -0.000 0.000 0.304 417 V C -0.155 176.070 176.094 0.218 0.000 1.097 417 V CA 0.015 62.400 62.300 0.142 0.000 0.906 417 V CB 2.073 33.917 31.823 0.036 0.000 1.015 417 V HN 0.687 nan 8.190 nan 0.000 0.427 418 S N 3.042 118.878 115.700 0.226 0.000 2.595 418 S HA 0.993 5.462 4.470 -0.000 0.000 0.281 418 S C -1.016 173.606 174.600 0.036 0.000 1.117 418 S CA 0.273 58.513 58.200 0.066 0.000 0.873 418 S CB 2.049 65.219 63.200 -0.050 0.000 1.108 418 S HN 1.778 nan 8.310 nan 0.000 0.477 419 A N 1.764 124.591 122.820 0.010 0.000 2.594 419 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 419 A C -2.187 175.404 177.584 0.011 0.000 1.056 419 A CA -0.507 51.540 52.037 0.018 0.000 0.693 419 A CB 1.290 20.308 19.000 0.031 0.000 1.278 419 A HN 1.086 nan 8.150 nan 0.000 0.408 420 L N 0.967 122.214 121.223 0.040 0.000 2.436 420 L HA 0.891 5.231 4.340 -0.000 0.000 0.268 420 L C -0.693 176.239 176.870 0.104 0.000 0.974 420 L CA 0.298 55.181 54.840 0.071 0.000 0.826 420 L CB 2.280 44.409 42.059 0.116 0.000 1.291 420 L HN 0.774 nan 8.230 nan 0.000 0.406 421 S N 2.368 118.014 115.700 -0.089 0.000 2.543 421 S HA 0.971 5.441 4.470 -0.000 0.000 0.271 421 S C -0.486 173.667 174.600 -0.744 0.000 1.148 421 S CA -0.122 57.818 58.200 -0.434 0.000 0.914 421 S CB 1.775 64.811 63.200 -0.273 0.000 1.096 421 S HN 1.185 nan 8.310 nan 0.000 0.471 422 G N 1.216 109.186 108.800 -1.383 0.000 2.336 422 G HA2 0.450 4.410 3.960 -0.000 0.000 0.286 422 G HA3 0.450 4.410 3.960 -0.000 0.000 0.286 422 G C -2.429 171.840 174.900 -1.051 0.000 1.269 422 G CA -0.655 43.785 45.100 -1.101 0.000 0.873 422 G HN 0.470 nan 8.290 nan 0.000 0.494 423 Y N -0.867 119.300 120.300 -0.221 0.000 2.387 423 Y HA 0.603 5.153 4.550 -0.000 0.000 0.330 423 Y C 0.369 176.345 175.900 0.128 0.000 1.133 423 Y CA -0.893 57.199 58.100 -0.014 0.000 1.152 423 Y CB 2.323 40.798 38.460 0.025 0.000 1.215 423 Y HN 0.247 nan 8.280 nan 0.000 0.466 424 V N 4.074 124.197 119.914 0.349 0.000 2.250 424 V HA 0.273 4.392 4.120 -0.000 0.000 0.268 424 V C -2.484 173.742 176.094 0.220 0.000 1.043 424 V CA -1.870 60.593 62.300 0.271 0.000 0.814 424 V CB 0.743 32.727 31.823 0.269 0.000 1.072 424 V HN 0.561 nan 8.190 nan 0.000 0.451 425 P HA 0.273 nan 4.420 nan 0.000 0.256 425 P C 0.425 177.863 177.300 0.230 0.000 1.689 425 P CA 0.443 63.637 63.100 0.156 0.000 1.124 425 P CB 0.961 32.724 31.700 0.106 0.000 1.766 426 G N 3.571 112.534 108.800 0.271 0.000 2.488 426 G HA2 0.401 4.361 3.960 -0.000 0.000 0.318 426 G HA3 0.401 4.361 3.960 -0.000 0.000 0.318 426 G C -1.798 173.158 174.900 0.095 0.000 1.188 426 G CA -1.826 43.471 45.100 0.329 0.000 0.944 426 G HN 0.070 nan 8.290 nan 0.000 0.495 427 P HA -0.043 nan 4.420 nan 0.000 0.223 427 P C 1.357 178.631 177.300 -0.044 0.000 1.144 427 P CA 0.841 63.906 63.100 -0.058 0.000 0.783 427 P CB 0.382 32.005 31.700 -0.128 0.000 0.771 428 E N -0.682 119.487 120.200 -0.053 0.000 2.371 428 E HA 0.202 4.551 4.350 -0.000 0.000 0.194 428 E C 1.203 177.805 176.600 0.004 0.000 1.012 428 E CA 0.731 57.102 56.400 -0.049 0.000 0.860 428 E CB -0.053 29.580 29.700 -0.112 0.000 0.811 428 E HN 0.208 nan 8.360 nan 0.000 0.502 429 G N 1.510 110.335 108.800 0.042 0.000 2.312 429 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.347 429 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.347 429 G C -1.429 173.536 174.900 0.109 0.000 1.564 429 G CA -0.906 44.236 45.100 0.069 0.000 0.981 429 G HN -0.006 nan 8.290 nan 0.000 0.678 430 E N -0.652 119.608 120.200 0.100 0.000 2.392 430 E HA 0.558 4.908 4.350 -0.000 0.000 0.264 430 E C -0.381 176.322 176.600 0.172 0.000 1.024 430 E CA -0.078 56.398 56.400 0.127 0.000 0.903 430 E CB 0.755 30.500 29.700 0.075 0.000 0.963 430 E HN 0.471 nan 8.360 nan 0.000 0.432 431 L N 2.837 124.196 121.223 0.228 0.000 2.370 431 L HA 0.742 5.082 4.340 -0.000 0.000 0.266 431 L C -1.099 175.943 176.870 0.288 0.000 1.002 431 L CA -0.524 54.464 54.840 0.245 0.000 0.818 431 L CB 2.158 44.369 42.059 0.253 0.000 1.325 431 L HN 0.653 nan 8.230 nan 0.000 0.418 432 A N 2.693 125.648 122.820 0.225 0.000 2.343 432 A HA 0.848 5.168 4.320 -0.000 0.000 0.308 432 A C -1.299 176.348 177.584 0.105 0.000 1.092 432 A CA -0.375 51.722 52.037 0.100 0.000 0.751 432 A CB 0.781 19.844 19.000 0.105 0.000 1.203 432 A HN 0.555 nan 8.150 nan 0.000 0.452 433 F N 0.404 120.327 119.950 -0.044 0.000 2.599 433 F HA 0.875 5.402 4.527 -0.000 0.000 0.311 433 F C -0.387 175.378 175.800 -0.059 0.000 1.076 433 F CA -1.057 56.921 58.000 -0.036 0.000 0.937 433 F CB 1.833 40.812 39.000 -0.036 0.000 1.282 433 F HN 0.425 nan 8.300 nan 0.000 0.460 434 S N 2.782 118.585 115.700 0.172 0.000 2.672 434 S HA 0.756 5.226 4.470 -0.000 0.000 0.291 434 S C -1.345 173.361 174.600 0.176 0.000 1.145 434 S CA -0.517 57.740 58.200 0.095 0.000 1.013 434 S CB 0.557 63.773 63.200 0.026 0.000 1.017 434 S HN 0.643 nan 8.310 nan 0.000 0.487 435 I N 4.652 125.332 120.570 0.184 0.000 2.382 435 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 435 I C -0.988 175.173 176.117 0.074 0.000 1.002 435 I CA -0.899 60.468 61.300 0.113 0.000 1.135 435 I CB 1.922 39.975 38.000 0.088 0.000 1.288 435 I HN 0.273 nan 8.210 nan 0.000 0.448 436 V N 5.679 125.631 119.914 0.062 0.000 2.525 436 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 436 V C -0.605 175.522 176.094 0.056 0.000 1.034 436 V CA -0.757 61.577 62.300 0.057 0.000 0.863 436 V CB 1.778 33.641 31.823 0.066 0.000 0.999 436 V HN 0.688 nan 8.190 nan 0.000 0.423 437 N N 3.853 122.588 118.700 0.058 0.000 2.361 437 N HA 0.515 5.255 4.740 -0.000 0.000 0.302 437 N C -1.132 174.485 175.510 0.178 0.000 1.074 437 N CA -0.604 52.497 53.050 0.085 0.000 0.850 437 N CB 2.465 40.951 38.487 -0.002 0.000 1.228 437 N HN 0.658 nan 8.380 nan 0.000 0.491 438 N N -0.323 118.488 118.700 0.185 0.000 2.287 438 N HA 0.330 5.070 4.740 -0.000 0.000 0.289 438 N C 0.180 175.745 175.510 0.092 0.000 1.066 438 N CA -0.203 52.925 53.050 0.131 0.000 0.841 438 N CB 2.385 40.910 38.487 0.063 0.000 1.599 438 N HN 0.776 nan 8.380 nan 0.000 0.476 439 G N 1.414 110.183 108.800 -0.052 0.000 2.143 439 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.249 439 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.249 439 G C 0.206 175.058 174.900 -0.079 0.000 0.981 439 G CA 0.493 45.545 45.100 -0.080 0.000 0.665 439 G HN 0.870 nan 8.290 nan 0.000 0.528 440 H N 0.507 119.584 119.070 0.011 0.000 2.660 440 H HA 0.677 5.232 4.556 -0.000 0.000 0.374 440 H C 1.225 176.558 175.328 0.007 0.000 1.291 440 H CA 0.463 56.515 56.048 0.007 0.000 1.437 440 H CB 0.537 30.301 29.762 0.003 0.000 1.509 440 H HN 0.526 nan 8.280 nan 0.000 0.614 441 S N 0.522 116.289 115.700 0.112 0.000 2.140 441 S HA 0.187 4.656 4.470 -0.000 0.000 0.218 441 S C 1.884 176.531 174.600 0.080 0.000 1.282 441 S CA -0.195 58.033 58.200 0.047 0.000 1.050 441 S CB -0.730 62.495 63.200 0.042 0.000 0.907 441 S HN 0.804 nan 8.310 nan 0.000 0.420 442 G N 2.610 111.444 108.800 0.058 0.000 2.739 442 G HA2 0.040 4.000 3.960 -0.000 0.000 0.216 442 G HA3 0.040 4.000 3.960 -0.000 0.000 0.216 442 G C -1.497 173.456 174.900 0.090 0.000 1.298 442 G CA 0.830 45.962 45.100 0.053 0.000 0.804 442 G HN 0.730 nan 8.290 nan 0.000 0.623 443 P HA 0.447 nan 4.420 nan 0.000 0.271 443 P C -0.648 176.675 177.300 0.039 0.000 1.216 443 P CA -0.169 62.955 63.100 0.040 0.000 0.776 443 P CB 1.289 32.995 31.700 0.010 0.000 0.881 444 A N 4.866 127.677 122.820 -0.015 0.000 2.366 444 A HA 0.384 4.704 4.320 -0.000 0.000 0.272 444 A C -1.654 175.823 177.584 -0.179 0.000 1.135 444 A CA -1.394 50.559 52.037 -0.140 0.000 0.804 444 A CB -0.570 18.387 19.000 -0.072 0.000 1.064 444 A HN 0.422 nan 8.150 nan 0.000 0.499 445 P HA 0.022 nan 4.420 nan 0.000 0.251 445 P C 0.555 177.774 177.300 -0.136 0.000 1.624 445 P CA 0.274 63.260 63.100 -0.190 0.000 0.907 445 P CB -0.161 31.406 31.700 -0.223 0.000 1.867 446 L N 0.040 121.200 121.223 -0.106 0.000 2.156 446 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 446 L C 2.538 179.366 176.870 -0.070 0.000 1.095 446 L CA 1.316 56.108 54.840 -0.079 0.000 0.770 446 L CB -0.719 41.303 42.059 -0.062 0.000 0.914 446 L HN 0.088 nan 8.230 nan 0.000 0.439 447 A N -0.436 122.344 122.820 -0.067 0.000 1.969 447 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 447 A C 2.316 179.857 177.584 -0.072 0.000 1.169 447 A CA 1.267 53.267 52.037 -0.061 0.000 0.635 447 A CB -0.571 18.398 19.000 -0.052 0.000 0.810 447 A HN 0.175 nan 8.150 nan 0.000 0.445 448 V N 0.010 119.876 119.914 -0.080 0.000 2.270 448 V HA -0.323 3.797 4.120 -0.000 0.000 0.245 448 V C 2.648 178.680 176.094 -0.103 0.000 1.043 448 V CA 2.303 64.549 62.300 -0.089 0.000 1.014 448 V CB -0.972 30.798 31.823 -0.089 0.000 0.645 448 V HN 0.657 nan 8.190 nan 0.000 0.447 449 Q N -0.380 119.362 119.800 -0.097 0.000 2.061 449 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 449 Q C 2.104 178.029 176.000 -0.124 0.000 0.984 449 Q CA 1.914 57.658 55.803 -0.099 0.000 0.846 449 Q CB -0.337 28.365 28.738 -0.061 0.000 0.902 449 Q HN 0.578 nan 8.270 nan 0.000 0.421 450 D N 0.563 120.905 120.400 -0.097 0.000 2.103 450 D HA -0.188 4.452 4.640 -0.000 0.000 0.190 450 D C 1.846 178.077 176.300 -0.114 0.000 0.997 450 D CA 1.666 55.609 54.000 -0.095 0.000 0.833 450 D CB -0.398 40.361 40.800 -0.069 0.000 0.961 450 D HN 0.295 nan 8.370 nan 0.000 0.447 451 A N 0.309 123.066 122.820 -0.104 0.000 1.948 451 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 451 A C 2.422 179.924 177.584 -0.137 0.000 1.177 451 A CA 1.179 53.154 52.037 -0.102 0.000 0.636 451 A CB -0.736 18.211 19.000 -0.087 0.000 0.815 451 A HN 0.266 nan 8.150 nan 0.000 0.449 452 I N -0.556 119.906 120.570 -0.181 0.000 2.163 452 I HA -0.239 3.930 4.170 -0.000 0.000 0.240 452 I C 3.002 178.932 176.117 -0.313 0.000 1.081 452 I CA 1.000 62.150 61.300 -0.250 0.000 1.353 452 I CB -0.408 37.420 38.000 -0.286 0.000 1.054 452 I HN 0.347 nan 8.210 nan 0.000 0.407 453 A N 0.376 122.982 122.820 -0.357 0.000 1.908 453 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 453 A C 2.446 179.899 177.584 -0.219 0.000 1.181 453 A CA 1.809 53.601 52.037 -0.409 0.000 0.627 453 A CB -1.032 17.782 19.000 -0.312 0.000 0.818 453 A HN 0.255 nan 8.150 nan 0.000 0.445 454 V N -0.065 119.760 119.914 -0.148 0.000 2.407 454 V HA -0.234 3.885 4.120 -0.000 0.000 0.248 454 V C 2.734 178.790 176.094 -0.065 0.000 1.055 454 V CA 2.023 64.272 62.300 -0.085 0.000 1.049 454 V CB -0.729 31.054 31.823 -0.068 0.000 0.662 454 V HN 0.487 nan 8.190 nan 0.000 0.455 455 R N -0.298 120.147 120.500 -0.092 0.000 2.073 455 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 455 R C 2.206 178.491 176.300 -0.025 0.000 1.134 455 R CA 1.520 57.583 56.100 -0.062 0.000 0.952 455 R CB -0.603 29.638 30.300 -0.099 0.000 0.850 455 R HN 0.466 nan 8.270 nan 0.000 0.433 456 L N -0.220 120.957 121.223 -0.077 0.000 2.141 456 L HA -0.080 4.259 4.340 -0.000 0.000 0.209 456 L C 2.620 179.543 176.870 0.088 0.000 1.094 456 L CA 1.104 55.936 54.840 -0.014 0.000 0.763 456 L CB -0.623 41.366 42.059 -0.117 0.000 0.908 456 L HN 0.137 nan 8.230 nan 0.000 0.437 457 A N 0.228 123.077 122.820 0.047 0.000 1.969 457 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 457 A C 2.180 179.851 177.584 0.146 0.000 1.169 457 A CA 1.372 53.470 52.037 0.101 0.000 0.635 457 A CB -0.324 18.695 19.000 0.032 0.000 0.810 457 A HN 0.446 nan 8.150 nan 0.000 0.445 458 E N -1.589 118.672 120.200 0.102 0.000 2.051 458 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 458 E C 1.859 178.521 176.600 0.104 0.000 0.991 458 E CA 1.572 58.027 56.400 0.091 0.000 0.799 458 E CB -0.329 29.411 29.700 0.067 0.000 0.748 458 E HN 0.782 nan 8.360 nan 0.000 0.449 459 Y N 0.984 121.300 120.300 0.026 0.000 2.242 459 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 459 Y C 2.174 178.099 175.900 0.041 0.000 1.137 459 Y CA 1.205 59.322 58.100 0.028 0.000 1.181 459 Y CB -0.190 38.285 38.460 0.026 0.000 0.989 459 Y HN -0.005 nan 8.280 nan 0.000 0.527 460 A N -0.118 122.805 122.820 0.173 0.000 2.178 460 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 460 A C 1.723 179.302 177.584 -0.008 0.000 1.157 460 A CA 1.194 53.314 52.037 0.137 0.000 0.689 460 A CB -1.439 17.724 19.000 0.271 0.000 0.787 460 A HN 0.992 nan 8.150 nan 0.000 0.465 461 G N -1.339 107.422 108.800 -0.065 0.000 2.270 461 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.224 461 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.224 461 G C -0.282 174.458 174.900 -0.267 0.000 1.079 461 G CA 0.129 45.127 45.100 -0.171 0.000 0.807 461 G HN 0.687 nan 8.290 nan 0.000 0.492 462 H N -0.616 118.450 119.070 -0.008 0.000 2.865 462 H HA 0.664 5.219 4.556 -0.000 0.000 0.372 462 H C 0.139 175.466 175.328 -0.001 0.000 1.173 462 H CA -0.160 55.889 56.048 0.000 0.000 1.147 462 H CB 2.082 31.851 29.762 0.012 0.000 1.805 462 H HN 0.460 nan 8.280 nan 0.000 0.553 463 Q N -0.105 119.791 119.800 0.159 0.000 2.882 463 Q HA 0.663 5.003 4.340 -0.000 0.000 0.315 463 Q C -0.949 175.090 176.000 0.066 0.000 1.004 463 Q CA -1.210 54.641 55.803 0.080 0.000 0.777 463 Q CB 2.774 31.538 28.738 0.044 0.000 1.506 463 Q HN 0.694 nan 8.270 nan 0.000 0.489 464 A N 1.350 124.192 122.820 0.037 0.000 2.354 464 A HA 0.625 4.944 4.320 -0.000 0.000 0.269 464 A C -2.115 175.483 177.584 0.024 0.000 1.109 464 A CA -0.764 51.287 52.037 0.023 0.000 0.800 464 A CB -0.500 18.508 19.000 0.012 0.000 1.045 464 A HN 0.411 nan 8.150 nan 0.000 0.489 465 P HA 0.000 nan 4.420 nan 0.000 0.216 465 P CA 0.000 63.111 63.100 0.019 0.000 0.800 465 P CB 0.000 31.710 31.700 0.016 0.000 0.726