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 1grb_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT CVNVGCVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.046 176.094 -0.080 0.000 1.182 18 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 18 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 19 A N 2.729 125.482 122.820 -0.112 0.000 2.409 19 A HA 0.762 5.082 4.320 0.000 0.000 0.262 19 A C 0.409 178.018 177.584 0.042 0.000 1.113 19 A CA 0.266 52.276 52.037 -0.045 0.000 0.790 19 A CB 1.002 20.018 19.000 0.027 0.000 1.046 19 A HN 0.978 nan 8.150 nan 0.000 0.496 20 S N 1.332 116.984 115.700 -0.079 0.000 2.525 20 S HA 0.766 5.236 4.470 0.000 0.000 0.290 20 S C -1.064 173.422 174.600 -0.191 0.000 1.152 20 S CA -0.309 57.886 58.200 -0.009 0.000 1.072 20 S CB 0.264 63.465 63.200 0.001 0.000 1.027 20 S HN 0.507 nan 8.310 nan 0.000 0.500 21 Y N 0.817 121.194 120.300 0.128 0.000 2.665 21 Y HA 0.402 4.952 4.550 0.000 0.000 0.336 21 Y C 0.979 176.984 175.900 0.174 0.000 1.085 21 Y CA -0.889 57.291 58.100 0.133 0.000 1.096 21 Y CB 0.988 39.525 38.460 0.128 0.000 1.301 21 Y HN 0.533 nan 8.280 nan 0.000 0.493 22 D N -0.457 120.169 120.400 0.377 0.000 2.213 22 D HA -0.064 4.576 4.640 0.000 0.000 0.205 22 D C -0.726 175.932 176.300 0.596 0.000 0.961 22 D CA 1.671 55.910 54.000 0.399 0.000 0.853 22 D CB 0.404 41.373 40.800 0.282 0.000 0.967 22 D HN 0.243 nan 8.370 nan 0.000 0.496 23 Y N 0.319 120.793 120.300 0.291 0.000 2.401 23 Y HA 0.446 4.996 4.550 0.000 0.000 0.330 23 Y C -1.552 174.421 175.900 0.122 0.000 1.071 23 Y CA -1.098 57.166 58.100 0.274 0.000 1.049 23 Y CB 1.070 39.602 38.460 0.120 0.000 1.239 23 Y HN -0.271 nan 8.280 nan 0.000 0.437 24 L N 6.288 127.524 121.223 0.020 0.000 2.333 24 L HA 0.700 5.040 4.340 0.000 0.000 0.280 24 L C -1.235 175.427 176.870 -0.347 0.000 1.004 24 L CA -1.049 53.681 54.840 -0.184 0.000 0.820 24 L CB 1.716 43.748 42.059 -0.045 0.000 1.247 24 L HN 0.419 nan 8.230 nan 0.000 0.416 25 V N 5.598 125.275 119.914 -0.396 0.000 2.409 25 V HA 0.400 4.520 4.120 0.000 0.000 0.291 25 V C 0.058 176.007 176.094 -0.242 0.000 1.020 25 V CA -0.405 61.683 62.300 -0.354 0.000 0.848 25 V CB 1.913 33.507 31.823 -0.383 0.000 0.990 25 V HN 0.505 nan 8.190 nan 0.000 0.430 26 I N 4.891 125.356 120.570 -0.175 0.000 2.291 26 I HA 0.697 4.867 4.170 0.000 0.000 0.290 26 I C 0.726 176.776 176.117 -0.111 0.000 1.050 26 I CA 0.065 61.265 61.300 -0.166 0.000 1.245 26 I CB 0.980 38.873 38.000 -0.178 0.000 1.405 26 I HN 0.851 nan 8.210 nan 0.000 0.478 27 G N 3.585 112.318 108.800 -0.111 0.000 3.326 27 G HA2 0.051 4.011 3.960 0.000 0.000 0.681 27 G HA3 0.051 4.011 3.960 0.000 0.000 0.681 27 G C -0.106 174.759 174.900 -0.058 0.000 1.255 27 G CA -0.582 44.479 45.100 -0.064 0.000 0.976 27 G HN 0.909 nan 8.290 nan 0.000 0.563 28 G N 0.724 109.498 108.800 -0.042 0.000 4.084 28 G HA2 0.675 4.635 3.960 0.000 0.000 0.293 28 G HA3 0.675 4.635 3.960 0.000 0.000 0.293 28 G C 0.808 175.703 174.900 -0.009 0.000 1.303 28 G CA 0.886 45.968 45.100 -0.030 0.000 1.289 28 G HN 1.230 nan 8.290 nan 0.000 0.609 29 G N -0.062 108.734 108.800 -0.006 0.000 2.736 29 G HA2 0.390 4.350 3.960 0.000 0.000 0.229 29 G HA3 0.390 4.350 3.960 0.000 0.000 0.229 29 G C 1.187 176.102 174.900 0.025 0.000 1.380 29 G CA 0.264 45.362 45.100 -0.003 0.000 1.040 29 G HN 0.164 nan 8.290 nan 0.000 0.568 30 S N -0.297 115.419 115.700 0.026 0.000 2.353 30 S HA -0.136 4.334 4.470 0.000 0.000 0.222 30 S C 2.467 177.093 174.600 0.043 0.000 1.035 30 S CA 1.838 60.067 58.200 0.048 0.000 1.025 30 S CB -0.711 62.510 63.200 0.035 0.000 0.902 30 S HN 0.774 nan 8.310 nan 0.000 0.440 31 G N 0.835 109.657 108.800 0.036 0.000 2.402 31 G HA2 0.019 3.979 3.960 0.000 0.000 0.216 31 G HA3 0.019 3.979 3.960 0.000 0.000 0.216 31 G C 1.425 176.348 174.900 0.038 0.000 1.162 31 G CA 0.890 46.016 45.100 0.043 0.000 0.777 31 G HN 0.563 nan 8.290 nan 0.000 0.539 32 G N 0.912 109.723 108.800 0.019 0.000 2.404 32 G HA2 -0.118 3.842 3.960 0.000 0.000 0.215 32 G HA3 -0.118 3.842 3.960 0.000 0.000 0.215 32 G C 1.808 176.700 174.900 -0.014 0.000 1.174 32 G CA 0.710 45.803 45.100 -0.012 0.000 0.780 32 G HN 0.391 nan 8.290 nan 0.000 0.537 33 L N 0.726 121.953 121.223 0.006 0.000 2.017 33 L HA -0.097 4.243 4.340 0.000 0.000 0.208 33 L C 3.462 180.336 176.870 0.007 0.000 1.073 33 L CA 1.186 56.032 54.840 0.010 0.000 0.745 33 L CB -0.633 41.461 42.059 0.058 0.000 0.894 33 L HN 0.317 nan 8.230 nan 0.000 0.432 34 A N -0.798 122.034 122.820 0.021 0.000 1.908 34 A HA -0.260 4.060 4.320 0.000 0.000 0.218 34 A C 2.558 180.161 177.584 0.031 0.000 1.181 34 A CA 2.320 54.367 52.037 0.017 0.000 0.627 34 A CB -0.752 18.264 19.000 0.026 0.000 0.818 34 A HN 0.371 nan 8.150 nan 0.000 0.445 35 S N -0.830 114.908 115.700 0.062 0.000 2.345 35 S HA -0.007 4.463 4.470 0.000 0.000 0.220 35 S C 2.266 176.974 174.600 0.180 0.000 1.031 35 S CA 1.478 59.758 58.200 0.134 0.000 0.996 35 S CB -0.515 62.804 63.200 0.199 0.000 0.882 35 S HN 0.828 nan 8.310 nan 0.000 0.445 36 A N 1.712 124.599 122.820 0.112 0.000 1.883 36 A HA -0.153 4.167 4.320 0.000 0.000 0.217 36 A C 2.191 179.786 177.584 0.019 0.000 1.186 36 A CA 1.694 53.778 52.037 0.078 0.000 0.624 36 A CB -0.645 18.332 19.000 -0.038 0.000 0.822 36 A HN 0.590 nan 8.150 nan 0.000 0.444 37 R N -1.475 119.016 120.500 -0.014 0.000 2.096 37 R HA -0.114 4.226 4.340 0.000 0.000 0.235 37 R C 2.464 178.728 176.300 -0.061 0.000 1.127 37 R CA 1.573 57.645 56.100 -0.046 0.000 0.968 37 R CB -0.228 30.038 30.300 -0.058 0.000 0.861 37 R HN 0.444 nan 8.270 nan 0.000 0.440 38 R N 0.912 121.376 120.500 -0.059 0.000 2.090 38 R HA 0.029 4.369 4.340 0.000 0.000 0.228 38 R C 1.962 178.154 176.300 -0.180 0.000 1.110 38 R CA 1.558 57.587 56.100 -0.118 0.000 0.973 38 R CB -0.516 29.704 30.300 -0.133 0.000 0.869 38 R HN 0.204 nan 8.270 nan 0.000 0.440 39 A N 0.464 123.184 122.820 -0.166 0.000 1.877 39 A HA -0.069 4.251 4.320 0.000 0.000 0.216 39 A C 2.377 179.743 177.584 -0.364 0.000 1.186 39 A CA 1.861 53.678 52.037 -0.368 0.000 0.620 39 A CB -1.186 17.540 19.000 -0.457 0.000 0.822 39 A HN 0.459 nan 8.150 nan 0.000 0.443 40 A N -0.140 122.560 122.820 -0.200 0.000 1.940 40 A HA -0.208 4.112 4.320 0.000 0.000 0.219 40 A C 1.862 179.385 177.584 -0.101 0.000 1.176 40 A CA 1.725 53.684 52.037 -0.131 0.000 0.631 40 A CB -0.593 18.376 19.000 -0.053 0.000 0.814 40 A HN 0.674 nan 8.150 nan 0.000 0.446 41 E N -0.313 119.827 120.200 -0.100 0.000 2.204 41 E HA -0.101 4.249 4.350 0.000 0.000 0.195 41 E C 1.398 177.954 176.600 -0.073 0.000 0.990 41 E CA 0.878 57.237 56.400 -0.068 0.000 0.821 41 E CB -0.234 29.427 29.700 -0.065 0.000 0.750 41 E HN 0.645 nan 8.360 nan 0.000 0.477 42 L N -0.630 120.517 121.223 -0.125 0.000 2.591 42 L HA 0.149 4.489 4.340 0.000 0.000 0.228 42 L C 1.412 178.236 176.870 -0.077 0.000 1.133 42 L CA 0.410 55.193 54.840 -0.095 0.000 0.880 42 L CB 0.193 42.182 42.059 -0.116 0.000 1.033 42 L HN 0.319 nan 8.230 nan 0.000 0.450 43 G N -0.344 108.394 108.800 -0.103 0.000 2.201 43 G HA2 -0.226 3.734 3.960 0.000 0.000 0.212 43 G HA3 -0.226 3.734 3.960 0.000 0.000 0.212 43 G C 0.439 175.269 174.900 -0.118 0.000 0.994 43 G CA -0.155 44.904 45.100 -0.067 0.000 0.644 43 G HN 0.434 nan 8.290 nan 0.000 0.508 44 A N 0.060 122.701 122.820 -0.299 0.000 2.498 44 A HA 0.642 4.962 4.320 0.000 0.000 0.239 44 A C 0.693 178.185 177.584 -0.153 0.000 1.068 44 A CA 0.863 52.664 52.037 -0.394 0.000 0.766 44 A CB 0.265 18.603 19.000 -1.104 0.000 1.003 44 A HN 1.059 nan 8.150 nan 0.000 0.497 45 R N 1.857 122.345 120.500 -0.020 0.000 2.235 45 R HA 0.546 4.886 4.340 0.000 0.000 0.338 45 R C -0.286 176.147 176.300 0.221 0.000 1.087 45 R CA 0.723 56.885 56.100 0.104 0.000 0.948 45 R CB -0.045 30.324 30.300 0.115 0.000 1.099 45 R HN 0.861 nan 8.270 nan 0.000 0.483 46 A N 2.777 125.685 122.820 0.147 0.000 2.337 46 A HA 0.894 5.214 4.320 0.000 0.000 0.331 46 A C -1.071 176.449 177.584 -0.107 0.000 1.137 46 A CA -0.378 51.700 52.037 0.070 0.000 0.807 46 A CB 1.667 20.693 19.000 0.044 0.000 1.250 46 A HN 0.833 nan 8.150 nan 0.000 0.468 47 A N 0.564 123.151 122.820 -0.387 0.000 2.435 47 A HA 0.699 5.019 4.320 0.000 0.000 0.304 47 A C -1.224 176.123 177.584 -0.395 0.000 1.064 47 A CA -0.458 51.260 52.037 -0.532 0.000 0.727 47 A CB 1.534 19.852 19.000 -1.136 0.000 1.284 47 A HN 1.189 nan 8.150 nan 0.000 0.415 48 V N 2.272 122.005 119.914 -0.302 0.000 2.409 48 V HA 0.399 4.520 4.120 0.000 0.000 0.291 48 V C -0.318 175.623 176.094 -0.255 0.000 1.020 48 V CA -0.510 61.642 62.300 -0.247 0.000 0.848 48 V CB 1.535 33.261 31.823 -0.161 0.000 0.990 48 V HN 0.668 nan 8.190 nan 0.000 0.430 49 V N 4.323 124.076 119.914 -0.267 0.000 2.432 49 V HA 0.574 4.695 4.120 0.000 0.000 0.275 49 V C -0.152 175.838 176.094 -0.174 0.000 1.043 49 V CA -0.346 61.801 62.300 -0.256 0.000 0.925 49 V CB 1.438 33.081 31.823 -0.299 0.000 0.985 49 V HN 0.971 nan 8.190 nan 0.000 0.466 50 E N 3.012 123.129 120.200 -0.137 0.000 2.278 50 E HA 0.416 4.766 4.350 0.000 0.000 0.272 50 E C 0.392 176.944 176.600 -0.081 0.000 0.890 50 E CA -0.044 56.306 56.400 -0.083 0.000 0.770 50 E CB 2.143 31.809 29.700 -0.057 0.000 1.212 50 E HN 0.556 nan 8.360 nan 0.000 0.415 51 S N 3.613 119.285 115.700 -0.046 0.000 2.503 51 S HA 0.159 4.629 4.470 0.000 0.000 0.215 51 S C 0.762 175.093 174.600 -0.448 0.000 1.003 51 S CA 0.228 58.333 58.200 -0.158 0.000 0.910 51 S CB -0.189 62.974 63.200 -0.062 0.000 0.790 51 S HN 0.602 nan 8.310 nan 0.000 0.514 52 H N 1.298 120.359 119.070 -0.016 0.000 5.016 52 H HA 0.500 5.056 4.556 0.000 0.000 0.159 52 H C -0.370 174.938 175.328 -0.033 0.000 1.363 52 H CA -0.614 55.423 56.048 -0.017 0.000 0.657 52 H CB 0.112 29.866 29.762 -0.012 0.000 1.535 52 H HN 0.141 nan 8.280 nan 0.000 0.340 53 K N 1.592 122.068 120.400 0.126 0.000 2.182 53 K HA 0.386 4.706 4.320 0.000 0.000 0.262 53 K C -0.380 176.205 176.600 -0.026 0.000 0.957 53 K CA -0.454 55.842 56.287 0.014 0.000 0.842 53 K CB 2.133 34.623 32.500 -0.016 0.000 1.099 53 K HN 0.166 nan 8.250 nan 0.000 0.438 54 L N 0.771 121.966 121.223 -0.047 0.000 2.483 54 L HA 0.062 4.402 4.340 0.000 0.000 0.275 54 L C 1.455 178.225 176.870 -0.167 0.000 1.220 54 L CA 0.980 55.785 54.840 -0.058 0.000 0.833 54 L CB 0.130 42.185 42.059 -0.007 0.000 1.102 54 L HN 1.106 nan 8.230 nan 0.000 0.490 55 G N 0.490 109.186 108.800 -0.174 0.000 2.254 55 G HA2 -0.084 3.876 3.960 0.000 0.000 0.225 55 G HA3 -0.084 3.876 3.960 0.000 0.000 0.225 55 G C 0.710 175.490 174.900 -0.199 0.000 1.003 55 G CA -0.100 44.778 45.100 -0.371 0.000 0.622 55 G HN 1.434 nan 8.290 nan 0.000 0.507 56 G N -0.515 108.210 108.800 -0.125 0.000 2.582 56 G HA2 -0.167 3.793 3.960 0.000 0.000 0.288 56 G HA3 -0.167 3.793 3.960 0.000 0.000 0.288 56 G C 1.165 176.008 174.900 -0.096 0.000 1.247 56 G CA 1.897 46.950 45.100 -0.078 0.000 0.972 56 G HN 1.399 nan 8.290 nan 0.000 0.557 57 T N -0.163 114.351 114.554 -0.067 0.000 2.684 57 T HA -0.240 4.110 4.350 0.000 0.000 0.267 57 T C 2.485 177.129 174.700 -0.092 0.000 1.036 57 T CA 2.831 64.894 62.100 -0.062 0.000 1.148 57 T CB -0.877 67.975 68.868 -0.025 0.000 0.863 57 T HN 1.144 nan 8.240 nan 0.000 0.436 58 C N 1.405 120.652 119.300 -0.089 0.000 2.376 58 C HA -0.115 4.345 4.460 0.000 0.000 0.275 58 C C 2.730 177.617 174.990 -0.171 0.000 1.200 58 C CA 1.075 60.033 59.018 -0.101 0.000 1.756 58 C CB -1.279 26.421 27.740 -0.066 0.000 2.050 58 C HN 0.397 nan 8.230 nan 0.000 0.460 59 V N 1.930 121.704 119.914 -0.234 0.000 2.323 59 V HA -0.126 3.994 4.120 0.000 0.000 0.244 59 V C 2.439 178.352 176.094 -0.300 0.000 1.041 59 V CA 2.374 64.481 62.300 -0.322 0.000 1.025 59 V CB -0.766 30.766 31.823 -0.485 0.000 0.656 59 V HN 0.586 nan 8.190 nan 0.000 0.451 60 N N 0.725 119.274 118.700 -0.251 0.000 2.173 60 N HA -0.045 4.695 4.740 0.000 0.000 0.184 60 N C 1.153 176.500 175.510 -0.272 0.000 1.025 60 N CA 1.950 54.868 53.050 -0.220 0.000 0.852 60 N CB 0.292 38.693 38.487 -0.144 0.000 0.998 60 N HN 0.549 nan 8.380 nan 0.000 0.427 61 V N -3.441 116.331 119.914 -0.238 0.000 2.967 61 V HA 0.704 4.824 4.120 0.000 0.000 0.364 61 V C 0.366 176.386 176.094 -0.123 0.000 1.373 61 V CA -0.217 61.944 62.300 -0.232 0.000 1.193 61 V CB 0.568 32.441 31.823 0.083 0.000 1.236 61 V HN 0.192 nan 8.190 nan 0.000 0.582 62 G N -0.485 108.187 108.800 -0.213 0.000 3.433 62 G HA2 0.226 4.186 3.960 0.000 0.000 0.173 62 G HA3 0.226 4.186 3.960 0.000 0.000 0.173 62 G C 0.841 175.703 174.900 -0.064 0.000 1.196 62 G CA 0.650 45.731 45.100 -0.031 0.000 1.062 62 G HN 0.214 nan 8.290 nan 0.000 0.699 63 C N 0.139 119.407 119.300 -0.054 0.000 2.318 63 C HA -0.128 4.332 4.460 0.000 0.000 0.272 63 C C 2.898 177.830 174.990 -0.097 0.000 1.156 63 C CA 1.274 60.255 59.018 -0.062 0.000 1.783 63 C CB -1.505 26.206 27.740 -0.048 0.000 2.023 63 C HN 0.307 nan 8.230 nan 0.000 0.437 64 V N 2.792 122.634 119.914 -0.120 0.000 2.216 64 V HA -0.155 3.965 4.120 0.000 0.000 0.243 64 V C 0.146 176.197 176.094 -0.071 0.000 1.044 64 V CA 2.794 65.036 62.300 -0.096 0.000 0.995 64 V CB -2.139 29.593 31.823 -0.151 0.000 0.633 64 V HN 0.390 nan 8.190 nan 0.000 0.446 65 P HA -0.207 nan 4.420 nan 0.000 0.216 65 P C 1.606 178.958 177.300 0.086 0.000 1.150 65 P CA 1.567 64.556 63.100 -0.185 0.000 0.837 65 P CB -0.160 31.113 31.700 -0.711 0.000 0.786 66 K N 0.979 121.455 120.400 0.125 0.000 2.002 66 K HA -0.194 4.126 4.320 0.000 0.000 0.209 66 K C 2.105 178.794 176.600 0.148 0.000 1.048 66 K CA 1.827 58.300 56.287 0.310 0.000 0.930 66 K CB -0.573 32.068 32.500 0.236 0.000 0.714 66 K HN -0.126 nan 8.250 nan 0.000 0.438 67 K N 0.794 121.182 120.400 -0.020 0.000 2.097 67 K HA -0.063 4.257 4.320 0.000 0.000 0.206 67 K C 2.010 178.668 176.600 0.097 0.000 1.049 67 K CA 1.256 57.484 56.287 -0.099 0.000 0.933 67 K CB -0.366 31.988 32.500 -0.244 0.000 0.717 67 K HN 0.024 nan 8.250 nan 0.000 0.442 68 V N 0.725 120.700 119.914 0.101 0.000 2.343 68 V HA -0.279 3.841 4.120 0.000 0.000 0.247 68 V C 2.321 178.482 176.094 0.111 0.000 1.051 68 V CA 1.773 64.131 62.300 0.097 0.000 1.036 68 V CB -0.471 31.407 31.823 0.091 0.000 0.654 68 V HN 0.347 nan 8.190 nan 0.000 0.451 69 M N -1.690 118.009 119.600 0.166 0.000 2.175 69 M HA -0.159 4.321 4.480 0.000 0.000 0.264 69 M C 1.959 178.367 176.300 0.180 0.000 1.063 69 M CA 1.438 56.830 55.300 0.153 0.000 1.119 69 M CB -1.299 31.474 32.600 0.288 0.000 1.377 69 M HN 0.619 nan 8.290 nan 0.000 0.415 70 W N 2.467 123.794 121.300 0.045 0.000 2.358 70 W HA -0.184 4.476 4.660 0.000 0.000 0.303 70 W C 1.975 178.533 176.519 0.065 0.000 1.208 70 W CA 1.578 58.960 57.345 0.063 0.000 1.274 70 W CB -0.367 29.080 29.460 -0.021 0.000 1.138 70 W HN 0.249 nan 8.180 nan 0.000 0.515 71 N N -0.437 118.372 118.700 0.183 0.000 2.223 71 N HA -0.147 4.593 4.740 0.000 0.000 0.185 71 N C 1.554 177.042 175.510 -0.037 0.000 1.016 71 N CA 2.188 55.261 53.050 0.038 0.000 0.863 71 N CB -0.864 37.696 38.487 0.122 0.000 0.983 71 N HN 0.185 nan 8.380 nan 0.000 0.429 72 T N 0.747 115.279 114.554 -0.037 0.000 2.777 72 T HA -0.008 4.342 4.350 0.000 0.000 0.266 72 T C 1.988 176.566 174.700 -0.202 0.000 1.040 72 T CA 1.243 63.284 62.100 -0.099 0.000 1.141 72 T CB -0.242 68.550 68.868 -0.126 0.000 0.868 72 T HN 0.311 nan 8.240 nan 0.000 0.444 73 A N 0.949 123.628 122.820 -0.235 0.000 1.930 73 A HA 0.003 4.323 4.320 0.000 0.000 0.217 73 A C 2.555 179.876 177.584 -0.437 0.000 1.175 73 A CA 0.968 52.803 52.037 -0.336 0.000 0.627 73 A CB -0.964 17.879 19.000 -0.262 0.000 0.815 73 A HN 0.339 nan 8.150 nan 0.000 0.443 74 V N -0.439 119.202 119.914 -0.455 0.000 2.392 74 V HA -0.274 3.846 4.120 0.000 0.000 0.249 74 V C 2.451 178.246 176.094 -0.498 0.000 1.059 74 V CA 2.114 64.052 62.300 -0.603 0.000 1.051 74 V CB -0.953 30.454 31.823 -0.695 0.000 0.658 74 V HN 0.671 nan 8.190 nan 0.000 0.455 75 H N -0.699 118.190 119.070 -0.301 0.000 2.353 75 H HA -0.142 4.414 4.556 0.000 0.000 0.300 75 H C 2.680 177.860 175.328 -0.247 0.000 1.090 75 H CA 1.914 57.855 56.048 -0.179 0.000 1.327 75 H CB -0.069 29.610 29.762 -0.138 0.000 1.383 75 H HN 0.434 nan 8.280 nan 0.000 0.508 76 S N 0.168 115.739 115.700 -0.215 0.000 2.359 76 S HA -0.168 4.302 4.470 0.000 0.000 0.224 76 S C 1.988 176.258 174.600 -0.551 0.000 1.035 76 S CA 1.671 59.664 58.200 -0.344 0.000 1.018 76 S CB -0.007 62.981 63.200 -0.354 0.000 0.876 76 S HN 0.518 nan 8.310 nan 0.000 0.448 77 E N -0.392 119.497 120.200 -0.518 0.000 2.047 77 E HA -0.093 4.257 4.350 0.000 0.000 0.191 77 E C 1.864 178.309 176.600 -0.259 0.000 0.987 77 E CA 1.304 57.440 56.400 -0.440 0.000 0.799 77 E CB -0.254 29.118 29.700 -0.546 0.000 0.752 77 E HN 0.494 nan 8.360 nan 0.000 0.449 78 F N 1.012 120.856 119.950 -0.177 0.000 2.095 78 F HA -0.195 4.332 4.527 0.000 0.000 0.298 78 F C 2.440 178.223 175.800 -0.028 0.000 1.104 78 F CA 1.161 59.103 58.000 -0.096 0.000 1.232 78 F CB -0.814 38.051 39.000 -0.226 0.000 0.987 78 F HN 0.071 nan 8.300 nan 0.000 0.475 79 M N -0.571 119.040 119.600 0.018 0.000 2.346 79 M HA -0.235 4.245 4.480 0.000 0.000 0.263 79 M C 1.879 178.215 176.300 0.061 0.000 1.064 79 M CA 1.758 57.043 55.300 -0.024 0.000 1.083 79 M CB -0.477 32.052 32.600 -0.118 0.000 1.399 79 M HN 0.131 nan 8.290 nan 0.000 0.435 80 H N 0.501 119.658 119.070 0.145 0.000 2.462 80 H HA -0.005 4.551 4.556 0.000 0.000 0.292 80 H C 1.006 176.465 175.328 0.218 0.000 1.049 80 H CA 1.281 57.415 56.048 0.144 0.000 1.334 80 H CB -0.262 29.560 29.762 0.099 0.000 1.404 80 H HN 0.535 nan 8.280 nan 0.000 0.544 81 D N -0.733 119.916 120.400 0.415 0.000 2.349 81 D HA -0.052 4.588 4.640 0.000 0.000 0.215 81 D C 1.810 178.373 176.300 0.438 0.000 1.016 81 D CA 0.208 54.474 54.000 0.444 0.000 0.870 81 D CB -0.153 41.014 40.800 0.613 0.000 0.917 81 D HN 0.369 nan 8.370 nan 0.000 0.524 82 H N 1.695 120.930 119.070 0.275 0.000 2.289 82 H HA -0.120 4.436 4.556 0.000 0.000 0.296 82 H C 2.011 177.543 175.328 0.340 0.000 1.091 82 H CA 2.243 58.448 56.048 0.263 0.000 1.274 82 H CB -0.016 29.836 29.762 0.149 0.000 1.364 82 H HN 0.123 nan 8.280 nan 0.000 0.490 83 A N 0.106 123.097 122.820 0.285 0.000 1.930 83 A HA -0.145 4.175 4.320 0.000 0.000 0.217 83 A C 2.059 179.706 177.584 0.106 0.000 1.175 83 A CA 1.680 53.824 52.037 0.179 0.000 0.627 83 A CB -0.269 18.824 19.000 0.155 0.000 0.815 83 A HN 0.455 nan 8.150 nan 0.000 0.443 84 D N -1.505 118.959 120.400 0.106 0.000 2.218 84 D HA -0.126 4.514 4.640 0.000 0.000 0.204 84 D C 0.848 177.075 176.300 -0.122 0.000 0.976 84 D CA 1.169 55.154 54.000 -0.025 0.000 0.853 84 D CB -0.197 40.569 40.800 -0.056 0.000 0.939 84 D HN 0.611 nan 8.370 nan 0.000 0.481 85 Y N -0.367 119.946 120.300 0.023 0.000 2.461 85 Y HA 0.263 4.813 4.550 0.000 0.000 0.277 85 Y C 1.679 177.525 175.900 -0.091 0.000 1.182 85 Y CA 0.424 58.533 58.100 0.015 0.000 1.276 85 Y CB 0.682 39.206 38.460 0.106 0.000 1.087 85 Y HN 0.038 nan 8.280 nan 0.000 0.519 86 G N -1.151 107.625 108.800 -0.041 0.000 2.144 86 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 86 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 86 G C -0.100 174.530 174.900 -0.451 0.000 0.988 86 G CA -0.422 44.524 45.100 -0.256 0.000 0.659 86 G HN 0.174 nan 8.290 nan 0.000 0.522 87 F N 0.762 120.634 119.950 -0.130 0.000 2.518 87 F HA 0.707 5.234 4.527 0.000 0.000 0.338 87 F C -1.876 173.928 175.800 0.006 0.000 1.065 87 F CA -2.447 55.465 58.000 -0.146 0.000 1.012 87 F CB 1.346 39.975 39.000 -0.618 0.000 1.297 87 F HN -0.169 nan 8.300 nan 0.000 0.489 88 P HA 0.167 nan 4.420 nan 0.000 0.286 88 P C -0.808 176.682 177.300 0.316 0.000 1.261 88 P CA -0.575 62.669 63.100 0.240 0.000 0.821 88 P CB 1.353 33.162 31.700 0.182 0.000 1.013 89 S N 1.281 117.112 115.700 0.217 0.000 2.563 89 S HA 0.028 4.498 4.470 0.000 0.000 0.294 89 S C 0.131 174.829 174.600 0.163 0.000 1.279 89 S CA -0.112 58.208 58.200 0.200 0.000 1.069 89 S CB -0.480 62.805 63.200 0.142 0.000 0.828 89 S HN 0.461 nan 8.310 nan 0.000 0.497 90 C N 4.629 124.014 119.300 0.140 0.000 2.347 90 C HA 0.288 4.748 4.460 0.000 0.000 0.353 90 C C 1.827 176.858 174.990 0.069 0.000 1.273 90 C CA -0.593 58.460 59.018 0.058 0.000 1.861 90 C CB -0.055 27.657 27.740 -0.047 0.000 2.420 90 C HN 1.083 nan 8.230 nan 0.000 0.542 91 E N 3.214 123.448 120.200 0.056 0.000 2.216 91 E HA 0.211 4.561 4.350 0.000 0.000 0.192 91 E C 0.970 177.604 176.600 0.058 0.000 0.988 91 E CA 1.151 57.585 56.400 0.058 0.000 0.834 91 E CB 0.235 29.964 29.700 0.047 0.000 0.772 91 E HN 0.868 nan 8.360 nan 0.000 0.479 92 G N 1.297 110.129 108.800 0.054 0.000 2.704 92 G HA2 0.029 3.990 3.960 0.000 0.000 0.118 92 G HA3 0.029 3.990 3.960 0.000 0.000 0.118 92 G C -1.332 173.619 174.900 0.086 0.000 1.197 92 G CA -0.362 44.777 45.100 0.066 0.000 1.152 92 G HN 0.166 nan 8.290 nan 0.000 0.571 93 K N 0.842 121.289 120.400 0.078 0.000 2.437 93 K HA 0.085 4.405 4.320 0.000 0.000 0.277 93 K C -0.796 175.877 176.600 0.121 0.000 1.073 93 K CA -0.194 56.151 56.287 0.097 0.000 1.105 93 K CB 0.210 32.743 32.500 0.055 0.000 0.881 93 K HN 0.276 nan 8.250 nan 0.000 0.475 94 F N 4.161 124.127 119.950 0.026 0.000 2.471 94 F HA 0.187 4.714 4.527 0.000 0.000 0.353 94 F C -0.166 175.666 175.800 0.053 0.000 1.113 94 F CA -0.616 57.400 58.000 0.026 0.000 1.262 94 F CB 0.674 39.700 39.000 0.045 0.000 1.146 94 F HN 0.686 nan 8.300 nan 0.000 0.578 95 N N 7.054 125.159 118.700 -0.992 0.000 2.511 95 N HA 0.020 4.760 4.740 0.000 0.000 0.249 95 N C 0.583 175.441 175.510 -1.088 0.000 0.971 95 N CA -0.573 52.026 53.050 -0.750 0.000 0.938 95 N CB 0.134 38.408 38.487 -0.355 0.000 1.131 95 N HN 0.918 nan 8.380 nan 0.000 0.505 96 W N 5.532 126.253 121.300 -0.965 0.000 2.338 96 W HA -0.179 4.481 4.660 0.000 0.000 0.304 96 W C 1.537 177.899 176.519 -0.262 0.000 1.212 96 W CA 1.574 58.619 57.345 -0.500 0.000 1.264 96 W CB 0.161 29.563 29.460 -0.097 0.000 1.142 96 W HN 0.702 nan 8.180 nan 0.000 0.512 97 R N 0.197 120.723 120.500 0.043 0.000 2.152 97 R HA -0.127 4.213 4.340 0.000 0.000 0.232 97 R C 1.850 178.114 176.300 -0.061 0.000 1.117 97 R CA 1.744 57.867 56.100 0.038 0.000 0.981 97 R CB -1.112 29.239 30.300 0.085 0.000 0.870 97 R HN 0.071 nan 8.270 nan 0.000 0.451 98 V N 1.330 121.164 119.914 -0.134 0.000 2.307 98 V HA -0.202 3.919 4.120 0.000 0.000 0.245 98 V C 2.253 178.278 176.094 -0.114 0.000 1.045 98 V CA 1.674 63.901 62.300 -0.121 0.000 1.024 98 V CB -0.378 31.355 31.823 -0.150 0.000 0.651 98 V HN 0.293 nan 8.190 nan 0.000 0.449 99 I N -0.216 120.260 120.570 -0.156 0.000 2.617 99 I HA -0.110 4.060 4.170 0.000 0.000 0.256 99 I C 2.349 178.383 176.117 -0.139 0.000 1.167 99 I CA 1.467 62.697 61.300 -0.117 0.000 1.469 99 I CB -0.468 37.502 38.000 -0.050 0.000 1.098 99 I HN 0.192 nan 8.210 nan 0.000 0.436 100 K N 0.503 120.785 120.400 -0.197 0.000 2.097 100 K HA -0.210 4.110 4.320 0.000 0.000 0.206 100 K C 1.857 178.436 176.600 -0.036 0.000 1.049 100 K CA 1.710 57.916 56.287 -0.136 0.000 0.933 100 K CB -0.082 32.380 32.500 -0.065 0.000 0.717 100 K HN 0.394 nan 8.250 nan 0.000 0.442 101 E N 0.378 120.560 120.200 -0.030 0.000 2.106 101 E HA -0.126 4.224 4.350 0.000 0.000 0.192 101 E C 1.878 178.476 176.600 -0.003 0.000 0.984 101 E CA 1.126 57.521 56.400 -0.007 0.000 0.806 101 E CB 0.172 29.866 29.700 -0.010 0.000 0.750 101 E HN 0.266 nan 8.360 nan 0.000 0.458 102 K N 0.388 120.778 120.400 -0.017 0.000 2.217 102 K HA -0.064 4.256 4.320 0.000 0.000 0.202 102 K C 2.173 178.791 176.600 0.030 0.000 1.051 102 K CA 0.474 56.758 56.287 -0.006 0.000 0.952 102 K CB 0.030 32.510 32.500 -0.034 0.000 0.736 102 K HN -0.014 nan 8.250 nan 0.000 0.453 103 R N 1.247 121.761 120.500 0.023 0.000 2.062 103 R HA -0.120 4.220 4.340 0.000 0.000 0.229 103 R C 1.359 177.700 176.300 0.068 0.000 1.128 103 R CA 1.583 57.722 56.100 0.065 0.000 0.960 103 R CB 0.027 30.346 30.300 0.031 0.000 0.855 103 R HN 0.074 nan 8.270 nan 0.000 0.432 104 D N 0.475 120.896 120.400 0.034 0.000 2.149 104 D HA -0.146 4.494 4.640 0.000 0.000 0.198 104 D C 1.673 177.984 176.300 0.019 0.000 0.990 104 D CA 1.491 55.501 54.000 0.016 0.000 0.839 104 D CB -0.191 40.621 40.800 0.020 0.000 0.948 104 D HN 0.373 nan 8.370 nan 0.000 0.460 105 A N 0.161 123.006 122.820 0.042 0.000 1.902 105 A HA -0.218 4.103 4.320 0.000 0.000 0.217 105 A C 2.176 179.814 177.584 0.089 0.000 1.181 105 A CA 1.160 53.227 52.037 0.049 0.000 0.623 105 A CB -0.947 18.081 19.000 0.047 0.000 0.818 105 A HN 0.311 nan 8.150 nan 0.000 0.443 106 Y N 0.683 120.964 120.300 -0.032 0.000 2.181 106 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 106 Y C 2.295 178.169 175.900 -0.044 0.000 1.146 106 Y CA 1.536 59.617 58.100 -0.032 0.000 1.164 106 Y CB -0.537 37.903 38.460 -0.033 0.000 0.982 106 Y HN 0.054 nan 8.280 nan 0.000 0.515 107 V N -0.622 119.196 119.914 -0.160 0.000 2.407 107 V HA -0.295 3.826 4.120 0.000 0.000 0.248 107 V C 2.471 178.448 176.094 -0.195 0.000 1.055 107 V CA 2.126 64.266 62.300 -0.267 0.000 1.049 107 V CB -0.905 30.804 31.823 -0.190 0.000 0.662 107 V HN 0.401 nan 8.190 nan 0.000 0.455 108 S N -0.630 115.011 115.700 -0.098 0.000 2.382 108 S HA -0.176 4.295 4.470 0.000 0.000 0.228 108 S C 2.083 176.649 174.600 -0.056 0.000 1.027 108 S CA 1.331 59.493 58.200 -0.063 0.000 0.991 108 S CB -0.280 62.906 63.200 -0.023 0.000 0.823 108 S HN 0.540 nan 8.310 nan 0.000 0.469 109 R N 0.723 121.198 120.500 -0.042 0.000 2.081 109 R HA -0.013 4.327 4.340 0.000 0.000 0.235 109 R C 2.231 178.508 176.300 -0.039 0.000 1.131 109 R CA 1.154 57.248 56.100 -0.010 0.000 0.960 109 R CB -0.585 29.755 30.300 0.066 0.000 0.856 109 R HN 0.374 nan 8.270 nan 0.000 0.436 110 L N 0.532 121.664 121.223 -0.151 0.000 2.056 110 L HA -0.170 4.170 4.340 0.000 0.000 0.207 110 L C 1.764 178.592 176.870 -0.070 0.000 1.078 110 L CA 1.495 56.264 54.840 -0.120 0.000 0.749 110 L CB -0.618 41.229 42.059 -0.354 0.000 0.901 110 L HN 0.300 nan 8.230 nan 0.000 0.433 111 N N 0.255 118.864 118.700 -0.152 0.000 2.104 111 N HA -0.179 4.561 4.740 0.000 0.000 0.190 111 N C 1.930 177.449 175.510 0.015 0.000 1.024 111 N CA 1.150 54.133 53.050 -0.110 0.000 0.853 111 N CB -0.210 38.214 38.487 -0.104 0.000 1.008 111 N HN 0.320 nan 8.380 nan 0.000 0.424 112 A N 1.019 123.848 122.820 0.015 0.000 1.930 112 A HA -0.050 4.270 4.320 0.000 0.000 0.217 112 A C 2.137 179.755 177.584 0.057 0.000 1.175 112 A CA 0.860 52.914 52.037 0.028 0.000 0.627 112 A CB -0.523 18.486 19.000 0.014 0.000 0.815 112 A HN 0.197 nan 8.150 nan 0.000 0.443 113 I N -1.828 118.800 120.570 0.097 0.000 2.226 113 I HA -0.269 3.901 4.170 0.000 0.000 0.245 113 I C 2.320 178.476 176.117 0.064 0.000 1.100 113 I CA 1.361 62.711 61.300 0.084 0.000 1.374 113 I CB -0.328 37.734 38.000 0.103 0.000 1.057 113 I HN 0.381 nan 8.210 nan 0.000 0.413 114 Y N 0.531 120.794 120.300 -0.060 0.000 2.200 114 Y HA -0.279 4.271 4.550 0.000 0.000 0.290 114 Y C 2.714 178.579 175.900 -0.058 0.000 1.137 114 Y CA 1.486 59.550 58.100 -0.060 0.000 1.163 114 Y CB -0.699 37.722 38.460 -0.066 0.000 0.988 114 Y HN 0.225 nan 8.280 nan 0.000 0.518 115 Q N 0.333 120.204 119.800 0.118 0.000 2.050 115 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 115 Q C 2.247 178.243 176.000 -0.008 0.000 0.980 115 Q CA 1.681 57.506 55.803 0.036 0.000 0.840 115 Q CB -0.331 28.421 28.738 0.023 0.000 0.898 115 Q HN 0.541 nan 8.270 nan 0.000 0.424 116 N N -0.189 118.503 118.700 -0.012 0.000 2.149 116 N HA -0.192 4.548 4.740 0.000 0.000 0.188 116 N C 1.280 176.743 175.510 -0.077 0.000 1.019 116 N CA 1.400 54.425 53.050 -0.041 0.000 0.857 116 N CB -0.131 38.336 38.487 -0.033 0.000 0.997 116 N HN 0.380 nan 8.380 nan 0.000 0.426 117 N N 0.388 119.028 118.700 -0.100 0.000 2.149 117 N HA -0.108 4.632 4.740 0.000 0.000 0.188 117 N C 1.849 177.283 175.510 -0.127 0.000 1.019 117 N CA 0.649 53.614 53.050 -0.141 0.000 0.857 117 N CB 0.061 38.416 38.487 -0.219 0.000 0.997 117 N HN 0.242 nan 8.380 nan 0.000 0.426 118 L N 0.491 121.656 121.223 -0.095 0.000 2.005 118 L HA -0.144 4.196 4.340 0.000 0.000 0.207 118 L C 2.914 179.717 176.870 -0.111 0.000 1.072 118 L CA 1.522 56.310 54.840 -0.087 0.000 0.744 118 L CB -1.170 40.856 42.059 -0.055 0.000 0.895 118 L HN 0.421 nan 8.230 nan 0.000 0.433 119 T N -2.336 112.159 114.554 -0.099 0.000 2.720 119 T HA -0.253 4.097 4.350 0.000 0.000 0.268 119 T C 1.825 176.384 174.700 -0.235 0.000 1.037 119 T CA 1.218 63.250 62.100 -0.112 0.000 1.144 119 T CB -0.287 68.543 68.868 -0.063 0.000 0.864 119 T HN 0.208 nan 8.240 nan 0.000 0.444 120 K N 0.805 121.067 120.400 -0.231 0.000 2.280 120 K HA 0.054 4.374 4.320 0.000 0.000 0.202 120 K C 2.344 178.615 176.600 -0.549 0.000 1.047 120 K CA 1.256 57.350 56.287 -0.320 0.000 0.942 120 K CB -0.111 32.280 32.500 -0.182 0.000 0.739 120 K HN 0.327 nan 8.250 nan 0.000 0.457 121 S N -0.688 114.771 115.700 -0.402 0.000 2.548 121 S HA 0.028 4.499 4.470 0.000 0.000 0.215 121 S C -0.484 173.965 174.600 -0.250 0.000 0.976 121 S CA -0.031 57.993 58.200 -0.292 0.000 0.908 121 S CB -0.045 63.074 63.200 -0.135 0.000 0.781 121 S HN 0.406 nan 8.310 nan 0.000 0.519 122 H N -0.694 118.364 119.070 -0.019 0.000 2.941 122 H HA -0.109 4.447 4.556 0.000 0.000 0.279 122 H C -0.525 174.803 175.328 -0.000 0.000 1.247 122 H CA 0.342 56.387 56.048 -0.005 0.000 1.129 122 H CB -2.117 27.644 29.762 -0.002 0.000 1.313 122 H HN 0.330 nan 8.280 nan 0.000 0.384 123 I N 1.186 121.766 120.570 0.017 0.000 2.365 123 I HA 0.114 4.285 4.170 0.000 0.000 0.291 123 I C 0.881 176.993 176.117 -0.009 0.000 1.004 123 I CA -0.126 61.174 61.300 -0.001 0.000 1.311 123 I CB 1.254 39.227 38.000 -0.046 0.000 1.401 123 I HN 0.245 nan 8.210 nan 0.000 0.491 124 E N 6.152 126.343 120.200 -0.014 0.000 2.313 124 E HA 0.406 4.756 4.350 0.000 0.000 0.276 124 E C -1.068 175.466 176.600 -0.111 0.000 1.031 124 E CA -0.383 56.000 56.400 -0.028 0.000 0.857 124 E CB 0.863 30.582 29.700 0.031 0.000 1.040 124 E HN 0.405 nan 8.360 nan 0.000 0.408 125 I N 5.815 126.334 120.570 -0.085 0.000 2.354 125 I HA 0.271 4.441 4.170 0.000 0.000 0.286 125 I C -0.505 175.539 176.117 -0.122 0.000 1.007 125 I CA -0.393 60.842 61.300 -0.109 0.000 1.167 125 I CB 1.105 39.063 38.000 -0.070 0.000 1.320 125 I HN 0.450 nan 8.210 nan 0.000 0.458 126 I N 6.400 126.854 120.570 -0.194 0.000 2.312 126 I HA 0.339 4.509 4.170 0.000 0.000 0.290 126 I C 0.207 176.225 176.117 -0.165 0.000 1.008 126 I CA -0.575 60.598 61.300 -0.211 0.000 1.226 126 I CB 0.854 38.600 38.000 -0.423 0.000 1.371 126 I HN 0.460 nan 8.210 nan 0.000 0.468 127 R N 4.320 124.759 120.500 -0.103 0.000 2.265 127 R HA 0.738 5.078 4.340 0.000 0.000 0.314 127 R C 0.104 176.358 176.300 -0.077 0.000 1.053 127 R CA 0.119 56.167 56.100 -0.086 0.000 0.931 127 R CB 1.334 31.596 30.300 -0.063 0.000 1.024 127 R HN 0.908 nan 8.270 nan 0.000 0.457 128 G N 0.993 109.741 108.800 -0.087 0.000 2.359 128 G HA2 -0.070 3.890 3.960 0.000 0.000 0.303 128 G HA3 -0.070 3.890 3.960 0.000 0.000 0.303 128 G C -1.925 172.957 174.900 -0.030 0.000 1.293 128 G CA -1.019 44.052 45.100 -0.049 0.000 0.964 128 G HN 0.700 nan 8.290 nan 0.000 0.531 129 H N 0.204 119.232 119.070 -0.071 0.000 2.556 129 H HA 0.754 5.310 4.556 0.000 0.000 0.310 129 H C 0.470 175.766 175.328 -0.053 0.000 1.057 129 H CA 0.429 56.447 56.048 -0.051 0.000 1.264 129 H CB 1.026 30.774 29.762 -0.024 0.000 1.404 129 H HN 0.940 nan 8.280 nan 0.000 0.462 130 A N 4.004 126.510 122.820 -0.523 0.000 2.316 130 A HA 0.752 5.072 4.320 0.000 0.000 0.284 130 A C -0.587 176.757 177.584 -0.399 0.000 1.115 130 A CA 0.053 51.869 52.037 -0.370 0.000 0.812 130 A CB 0.273 19.053 19.000 -0.367 0.000 1.064 130 A HN 0.943 nan 8.150 nan 0.000 0.489 131 A N 1.011 123.707 122.820 -0.206 0.000 2.520 131 A HA 0.680 5.000 4.320 0.000 0.000 0.298 131 A C -0.831 176.666 177.584 -0.146 0.000 1.051 131 A CA -0.603 51.375 52.037 -0.098 0.000 0.690 131 A CB 0.513 19.574 19.000 0.102 0.000 1.281 131 A HN 0.647 nan 8.150 nan 0.000 0.402 132 F N 1.347 121.315 119.950 0.031 0.000 2.496 132 F HA 0.427 4.954 4.527 0.000 0.000 0.344 132 F C 1.719 177.542 175.800 0.039 0.000 1.155 132 F CA 1.306 59.325 58.000 0.032 0.000 1.302 132 F CB 1.180 40.193 39.000 0.022 0.000 1.159 132 F HN 0.681 nan 8.300 nan 0.000 0.595 133 T N -2.529 112.173 114.554 0.245 0.000 2.937 133 T HA 0.308 4.658 4.350 0.000 0.000 0.283 133 T C 0.849 175.629 174.700 0.133 0.000 1.012 133 T CA -0.274 61.915 62.100 0.148 0.000 0.997 133 T CB 1.290 70.217 68.868 0.099 0.000 1.136 133 T HN 0.484 nan 8.240 nan 0.000 0.551 134 S N -0.325 115.427 115.700 0.086 0.000 2.481 134 S HA -0.003 4.467 4.470 0.000 0.000 0.231 134 S C 0.450 175.080 174.600 0.050 0.000 0.996 134 S CA 0.001 58.236 58.200 0.058 0.000 0.942 134 S CB -0.633 62.593 63.200 0.043 0.000 0.768 134 S HN 0.761 nan 8.310 nan 0.000 0.520 135 D N 3.459 123.894 120.400 0.060 0.000 2.548 135 D HA 0.042 4.682 4.640 0.000 0.000 0.231 135 D C -1.384 174.943 176.300 0.046 0.000 1.142 135 D CA -0.755 53.275 54.000 0.050 0.000 0.866 135 D CB 0.433 41.267 40.800 0.055 0.000 1.190 135 D HN 0.120 nan 8.370 nan 0.000 0.469 136 P HA -0.151 nan 4.420 nan 0.000 0.208 136 P C 0.310 177.625 177.300 0.025 0.000 1.189 136 P CA 1.335 64.448 63.100 0.021 0.000 0.931 136 P CB -0.046 31.664 31.700 0.016 0.000 0.783 137 K N 1.149 121.568 120.400 0.031 0.000 2.368 137 K HA 0.200 4.520 4.320 0.000 0.000 0.282 137 K C -2.365 174.277 176.600 0.069 0.000 1.035 137 K CA -1.796 54.514 56.287 0.039 0.000 0.973 137 K CB -0.444 32.077 32.500 0.035 0.000 0.957 137 K HN -0.006 nan 8.250 nan 0.000 0.474 138 P HA -0.041 nan 4.420 nan 0.000 0.256 138 P C -1.085 176.333 177.300 0.197 0.000 1.173 138 P CA 0.292 63.484 63.100 0.154 0.000 0.768 138 P CB 0.491 32.274 31.700 0.139 0.000 0.758 139 T N 4.209 118.901 114.554 0.231 0.000 2.952 139 T HA 0.597 4.947 4.350 0.000 0.000 0.305 139 T C 0.078 174.862 174.700 0.140 0.000 1.064 139 T CA -0.554 61.645 62.100 0.165 0.000 1.008 139 T CB 0.870 69.805 68.868 0.113 0.000 1.078 139 T HN 0.310 nan 8.240 nan 0.000 0.459 140 I N -0.352 120.246 120.570 0.046 0.000 2.707 140 I HA 0.815 4.985 4.170 0.000 0.000 0.309 140 I C -0.447 175.710 176.117 0.067 0.000 1.001 140 I CA -0.788 60.471 61.300 -0.068 0.000 1.129 140 I CB 2.030 39.861 38.000 -0.281 0.000 1.308 140 I HN 0.529 nan 8.210 nan 0.000 0.466 141 E N 3.710 123.932 120.200 0.037 0.000 2.210 141 E HA 0.608 4.958 4.350 0.000 0.000 0.266 141 E C -1.787 174.872 176.600 0.098 0.000 0.883 141 E CA -0.807 55.649 56.400 0.093 0.000 0.761 141 E CB 2.404 32.141 29.700 0.061 0.000 1.156 141 E HN 0.604 nan 8.360 nan 0.000 0.412 142 V N 3.348 123.372 119.914 0.184 0.000 2.419 142 V HA 0.192 4.312 4.120 0.000 0.000 0.287 142 V C 0.005 176.186 176.094 0.144 0.000 1.017 142 V CA -0.713 61.666 62.300 0.132 0.000 0.844 142 V CB 1.289 33.156 31.823 0.074 0.000 1.011 142 V HN 0.873 nan 8.190 nan 0.000 0.429 143 S N 3.774 119.530 115.700 0.093 0.000 3.749 143 S HA -0.178 4.292 4.470 0.000 0.000 0.348 143 S C 1.484 176.121 174.600 0.061 0.000 1.045 143 S CA 1.528 59.769 58.200 0.069 0.000 1.051 143 S CB -1.219 62.020 63.200 0.064 0.000 0.898 143 S HN 2.259 nan 8.310 nan 0.000 0.472 144 G N -0.280 108.552 108.800 0.054 0.000 2.284 144 G HA2 -0.299 3.662 3.960 0.000 0.000 0.247 144 G HA3 -0.299 3.662 3.960 0.000 0.000 0.247 144 G C -0.079 174.825 174.900 0.007 0.000 1.012 144 G CA 0.618 45.735 45.100 0.029 0.000 0.618 144 G HN 0.626 nan 8.290 nan 0.000 0.521 145 K N 0.927 121.336 120.400 0.015 0.000 2.110 145 K HA 0.534 4.854 4.320 0.000 0.000 0.263 145 K C 0.015 176.494 176.600 -0.202 0.000 0.975 145 K CA -0.536 55.683 56.287 -0.114 0.000 0.895 145 K CB 1.517 33.921 32.500 -0.160 0.000 1.060 145 K HN 0.160 nan 8.250 nan 0.000 0.448 146 K N 2.033 122.225 120.400 -0.347 0.000 2.123 146 K HA 0.393 4.713 4.320 0.000 0.000 0.259 146 K C -0.877 175.364 176.600 -0.597 0.000 0.960 146 K CA -0.607 55.517 56.287 -0.270 0.000 0.872 146 K CB 0.999 33.426 32.500 -0.120 0.000 1.079 146 K HN 0.437 nan 8.250 nan 0.000 0.440 147 Y N -0.721 119.609 120.300 0.049 0.000 2.534 147 Y HA 0.355 4.905 4.550 0.000 0.000 0.345 147 Y C 0.244 176.201 175.900 0.095 0.000 1.031 147 Y CA -0.749 57.411 58.100 0.100 0.000 1.022 147 Y CB 2.624 41.133 38.460 0.082 0.000 1.292 147 Y HN 0.549 nan 8.280 nan 0.000 0.459 148 T N 0.820 115.553 114.554 0.299 0.000 2.816 148 T HA 0.925 5.275 4.350 0.000 0.000 0.299 148 T C -1.805 173.045 174.700 0.250 0.000 1.230 148 T CA -0.290 61.939 62.100 0.215 0.000 1.007 148 T CB 1.459 70.410 68.868 0.138 0.000 1.289 148 T HN 1.115 nan 8.240 nan 0.000 0.508 149 A N 2.272 125.218 122.820 0.211 0.000 2.599 149 A HA 0.723 5.043 4.320 0.000 0.000 0.294 149 A C -2.593 175.087 177.584 0.159 0.000 1.055 149 A CA -1.017 51.161 52.037 0.235 0.000 0.683 149 A CB 0.944 20.140 19.000 0.328 0.000 1.278 149 A HN 0.551 nan 8.150 nan 0.000 0.412 150 P HA 0.057 nan 4.420 nan 0.000 0.229 150 P C -0.197 176.937 177.300 -0.277 0.000 1.160 150 P CA 1.201 64.224 63.100 -0.128 0.000 0.777 150 P CB 0.025 31.569 31.700 -0.259 0.000 0.814 151 H N -0.159 119.133 119.070 0.369 0.000 2.823 151 H HA 0.422 4.978 4.556 0.000 0.000 0.332 151 H C -0.201 175.468 175.328 0.568 0.000 0.980 151 H CA -0.619 55.764 56.048 0.559 0.000 1.286 151 H CB 1.622 31.721 29.762 0.562 0.000 1.541 151 H HN -0.013 nan 8.280 nan 0.000 0.521 152 I N 4.221 125.124 120.570 0.555 0.000 2.406 152 I HA 0.143 4.313 4.170 0.000 0.000 0.290 152 I C -0.482 175.867 176.117 0.387 0.000 0.999 152 I CA -0.879 60.627 61.300 0.344 0.000 1.124 152 I CB 2.316 40.478 38.000 0.271 0.000 1.289 152 I HN 0.205 nan 8.210 nan 0.000 0.441 153 L N 8.223 129.558 121.223 0.188 0.000 2.296 153 L HA 0.586 4.926 4.340 0.000 0.000 0.286 153 L C -0.810 176.120 176.870 0.099 0.000 1.023 153 L CA 0.000 54.960 54.840 0.199 0.000 0.812 153 L CB 1.142 43.250 42.059 0.082 0.000 1.223 153 L HN 0.409 nan 8.230 nan 0.000 0.421 154 I N 5.786 126.448 120.570 0.154 0.000 2.315 154 I HA 0.555 4.725 4.170 0.000 0.000 0.291 154 I C 0.291 176.460 176.117 0.087 0.000 1.006 154 I CA -0.072 61.297 61.300 0.114 0.000 1.265 154 I CB 1.553 39.656 38.000 0.171 0.000 1.387 154 I HN 0.820 nan 8.210 nan 0.000 0.475 155 A N 3.428 126.272 122.820 0.040 0.000 3.234 155 A HA 0.240 4.560 4.320 0.000 0.000 0.247 155 A C 0.804 178.401 177.584 0.022 0.000 0.938 155 A CA -0.325 51.736 52.037 0.041 0.000 1.039 155 A CB -0.352 18.666 19.000 0.030 0.000 1.197 155 A HN 0.725 nan 8.150 nan 0.000 0.498 156 T N -2.750 111.820 114.554 0.027 0.000 3.148 156 T HA 0.425 4.775 4.350 0.000 0.000 0.253 156 T C 1.371 176.086 174.700 0.026 0.000 1.134 156 T CA 1.060 63.170 62.100 0.017 0.000 1.051 156 T CB -0.318 68.560 68.868 0.016 0.000 0.959 156 T HN 2.074 nan 8.240 nan 0.000 0.525 157 G N 0.387 109.210 108.800 0.037 0.000 2.569 157 G HA2 0.223 4.183 3.960 0.000 0.000 0.259 157 G HA3 0.223 4.183 3.960 0.000 0.000 0.259 157 G C 0.081 175.008 174.900 0.044 0.000 1.263 157 G CA -0.310 44.813 45.100 0.037 0.000 0.928 157 G HN 1.267 nan 8.290 nan 0.000 0.572 158 G N -2.523 106.298 108.800 0.035 0.000 2.975 158 G HA2 0.861 4.821 3.960 0.000 0.000 0.291 158 G HA3 0.861 4.821 3.960 0.000 0.000 0.291 158 G C -0.763 174.147 174.900 0.017 0.000 1.334 158 G CA -0.203 44.918 45.100 0.034 0.000 0.843 158 G HN 1.063 nan 8.290 nan 0.000 0.548 159 M N -0.187 119.423 119.600 0.017 0.000 2.683 159 M HA 0.420 4.900 4.480 0.000 0.000 0.274 159 M C -2.865 173.449 176.300 0.023 0.000 1.272 159 M CA -1.593 53.714 55.300 0.013 0.000 0.833 159 M CB 2.925 35.525 32.600 -0.000 0.000 1.708 159 M HN 0.160 nan 8.290 nan 0.000 0.463 160 P HA 0.118 nan 4.420 nan 0.000 0.271 160 P C -0.924 176.385 177.300 0.015 0.000 1.216 160 P CA -0.246 62.879 63.100 0.042 0.000 0.776 160 P CB 0.828 32.568 31.700 0.066 0.000 0.881 161 S N 1.888 117.597 115.700 0.016 0.000 2.554 161 S HA 0.590 5.060 4.470 0.000 0.000 0.278 161 S C -0.260 174.294 174.600 -0.076 0.000 1.242 161 S CA -0.206 57.977 58.200 -0.028 0.000 1.051 161 S CB -0.239 62.956 63.200 -0.008 0.000 0.986 161 S HN 0.559 nan 8.310 nan 0.000 0.502 162 T N 2.295 116.740 114.554 -0.182 0.000 2.906 162 T HA 0.729 5.079 4.350 0.000 0.000 0.295 162 T C -3.124 171.294 174.700 -0.470 0.000 1.061 162 T CA -1.804 60.073 62.100 -0.372 0.000 1.000 162 T CB 1.130 69.802 68.868 -0.326 0.000 1.103 162 T HN 0.456 nan 8.240 nan 0.000 0.486 163 P HA 0.283 nan 4.420 nan 0.000 0.274 163 P C -0.320 176.731 177.300 -0.415 0.000 1.231 163 P CA -0.411 62.373 63.100 -0.527 0.000 0.790 163 P CB 0.287 31.556 31.700 -0.719 0.000 0.951 164 H N 1.036 119.986 119.070 -0.199 0.000 2.652 164 H HA 0.032 4.588 4.556 0.000 0.000 0.349 164 H C 1.041 176.308 175.328 -0.101 0.000 1.099 164 H CA 0.163 56.137 56.048 -0.123 0.000 1.417 164 H CB 1.228 30.939 29.762 -0.085 0.000 1.457 164 H HN 0.526 nan 8.280 nan 0.000 0.568 165 E N 1.302 121.516 120.200 0.024 0.000 2.204 165 E HA -0.173 4.177 4.350 0.000 0.000 0.195 165 E C 2.033 178.662 176.600 0.048 0.000 0.990 165 E CA 1.452 57.867 56.400 0.026 0.000 0.821 165 E CB 0.159 29.872 29.700 0.023 0.000 0.750 165 E HN 0.646 nan 8.360 nan 0.000 0.477 166 S N -0.072 115.672 115.700 0.075 0.000 2.382 166 S HA -0.298 4.172 4.470 0.000 0.000 0.228 166 S C 2.060 176.676 174.600 0.027 0.000 1.027 166 S CA 1.376 59.599 58.200 0.039 0.000 0.991 166 S CB -0.359 62.847 63.200 0.010 0.000 0.823 166 S HN 0.488 nan 8.310 nan 0.000 0.469 167 Q N 0.511 120.334 119.800 0.037 0.000 2.259 167 Q HA 0.338 4.678 4.340 0.000 0.000 0.201 167 Q C 0.419 176.434 176.000 0.024 0.000 0.938 167 Q CA 0.583 56.398 55.803 0.020 0.000 0.872 167 Q CB -0.044 28.700 28.738 0.010 0.000 0.971 167 Q HN 0.609 nan 8.270 nan 0.000 0.494 168 I N 2.625 123.207 120.570 0.020 0.000 2.521 168 I HA 0.389 4.559 4.170 0.000 0.000 0.277 168 I C -2.510 173.640 176.117 0.056 0.000 1.054 168 I CA -2.888 58.439 61.300 0.045 0.000 1.117 168 I CB 2.018 40.047 38.000 0.048 0.000 1.217 168 I HN 0.024 nan 8.210 nan 0.000 0.469 169 P HA 0.121 nan 4.420 nan 0.000 0.267 169 P C 0.913 178.261 177.300 0.079 0.000 1.205 169 P CA 0.629 63.763 63.100 0.056 0.000 0.765 169 P CB 0.749 32.476 31.700 0.045 0.000 0.828 170 G N 2.705 111.550 108.800 0.074 0.000 2.143 170 G HA2 -0.297 3.663 3.960 0.000 0.000 0.249 170 G HA3 -0.297 3.663 3.960 0.000 0.000 0.249 170 G C 1.115 176.111 174.900 0.160 0.000 0.981 170 G CA 0.331 45.488 45.100 0.095 0.000 0.665 170 G HN 0.667 nan 8.290 nan 0.000 0.528 171 A N 0.712 123.624 122.820 0.153 0.000 1.972 171 A HA 0.177 4.497 4.320 0.000 0.000 0.219 171 A C 2.614 180.372 177.584 0.290 0.000 1.169 171 A CA 2.594 54.783 52.037 0.253 0.000 0.635 171 A CB -0.658 18.266 19.000 -0.127 0.000 0.810 171 A HN 1.820 nan 8.150 nan 0.000 0.446 172 S N -0.501 115.274 115.700 0.126 0.000 2.603 172 S HA 0.070 4.540 4.470 0.000 0.000 0.229 172 S C 1.431 176.109 174.600 0.130 0.000 0.972 172 S CA 0.908 59.168 58.200 0.101 0.000 0.935 172 S CB -0.555 62.666 63.200 0.034 0.000 0.769 172 S HN 0.465 nan 8.310 nan 0.000 0.536 173 L N 0.988 122.301 121.223 0.150 0.000 2.492 173 L HA 0.291 4.631 4.340 0.000 0.000 0.223 173 L C 1.576 178.508 176.870 0.103 0.000 1.132 173 L CA 0.135 55.035 54.840 0.101 0.000 0.850 173 L CB -0.583 41.518 42.059 0.070 0.000 0.966 173 L HN 0.450 nan 8.230 nan 0.000 0.454 174 G N 0.330 109.258 108.800 0.213 0.000 2.477 174 G HA2 0.580 4.540 3.960 0.000 0.000 0.304 174 G HA3 0.580 4.540 3.960 0.000 0.000 0.304 174 G C -0.409 174.603 174.900 0.187 0.000 1.175 174 G CA -0.510 44.652 45.100 0.104 0.000 0.907 174 G HN 0.110 nan 8.290 nan 0.000 0.509 175 I N -1.820 118.805 120.570 0.091 0.000 3.100 175 I HA 0.875 5.045 4.170 0.000 0.000 0.312 175 I C 0.412 176.638 176.117 0.182 0.000 1.063 175 I CA -0.941 60.437 61.300 0.130 0.000 1.031 175 I CB 2.318 40.362 38.000 0.073 0.000 1.243 175 I HN 0.611 nan 8.210 nan 0.000 0.483 176 T N -1.686 112.966 114.554 0.164 0.000 2.841 176 T HA 0.311 4.661 4.350 0.000 0.000 0.276 176 T C 1.020 175.797 174.700 0.128 0.000 1.003 176 T CA -0.025 62.171 62.100 0.160 0.000 0.995 176 T CB 1.135 70.091 68.868 0.146 0.000 1.260 176 T HN 0.818 nan 8.240 nan 0.000 0.581 177 S N 0.026 115.788 115.700 0.103 0.000 2.419 177 S HA -0.169 4.301 4.470 0.000 0.000 0.235 177 S C 1.245 175.955 174.600 0.184 0.000 1.019 177 S CA 1.482 59.724 58.200 0.071 0.000 0.982 177 S CB -0.923 62.321 63.200 0.074 0.000 0.789 177 S HN 0.720 nan 8.310 nan 0.000 0.490 178 D N 2.245 122.767 120.400 0.203 0.000 2.117 178 D HA 0.026 4.666 4.640 0.000 0.000 0.197 178 D C 2.190 178.626 176.300 0.227 0.000 0.987 178 D CA 1.475 55.620 54.000 0.242 0.000 0.829 178 D CB -1.036 39.853 40.800 0.147 0.000 0.961 178 D HN 0.561 nan 8.370 nan 0.000 0.460 179 G N -0.332 108.564 108.800 0.160 0.000 2.448 179 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 179 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 179 G C 1.432 176.400 174.900 0.112 0.000 1.135 179 G CA 0.058 45.232 45.100 0.123 0.000 0.784 179 G HN 0.263 nan 8.290 nan 0.000 0.543 180 F N 0.872 120.780 119.950 -0.070 0.000 2.171 180 F HA 0.027 4.554 4.527 0.000 0.000 0.300 180 F C 1.809 177.528 175.800 -0.135 0.000 1.090 180 F CA 0.999 58.896 58.000 -0.172 0.000 1.293 180 F CB -0.042 38.735 39.000 -0.371 0.000 1.013 180 F HN 0.102 nan 8.300 nan 0.000 0.486 181 F N 0.473 120.572 119.950 0.249 0.000 2.748 181 F HA 0.016 4.543 4.527 0.000 0.000 0.299 181 F C 2.043 177.890 175.800 0.079 0.000 1.154 181 F CA 0.689 58.782 58.000 0.155 0.000 1.446 181 F CB -0.632 38.479 39.000 0.186 0.000 1.112 181 F HN 0.147 nan 8.300 nan 0.000 0.584 182 Q N -0.323 119.585 119.800 0.180 0.000 2.352 182 Q HA 0.175 4.516 4.340 0.000 0.000 0.212 182 Q C 0.578 176.623 176.000 0.075 0.000 0.888 182 Q CA -0.045 55.832 55.803 0.124 0.000 0.934 182 Q CB 0.580 29.375 28.738 0.095 0.000 1.093 182 Q HN 0.315 nan 8.270 nan 0.000 0.523 183 L N 1.972 123.206 121.223 0.018 0.000 2.514 183 L HA -0.063 4.277 4.340 0.000 0.000 0.280 183 L C 1.276 178.191 176.870 0.075 0.000 1.223 183 L CA 0.583 55.378 54.840 -0.075 0.000 0.864 183 L CB 0.345 42.218 42.059 -0.311 0.000 1.118 183 L HN 0.192 nan 8.230 nan 0.000 0.494 184 E N 1.609 121.777 120.200 -0.054 0.000 2.473 184 E HA 0.107 4.457 4.350 0.000 0.000 0.204 184 E C -0.354 176.203 176.600 -0.072 0.000 0.994 184 E CA 0.179 56.615 56.400 0.061 0.000 0.945 184 E CB 0.873 30.589 29.700 0.027 0.000 0.990 184 E HN 0.621 nan 8.360 nan 0.000 0.493 185 E N 1.001 120.905 120.200 -0.495 0.000 2.393 185 E HA 0.293 4.643 4.350 0.000 0.000 0.273 185 E C -0.829 175.097 176.600 -1.123 0.000 0.918 185 E CA -1.063 54.986 56.400 -0.585 0.000 0.773 185 E CB 2.155 31.696 29.700 -0.265 0.000 1.275 185 E HN -0.100 nan 8.360 nan 0.000 0.451 186 L N 3.113 123.856 121.223 -0.799 0.000 2.418 186 L HA 0.217 4.557 4.340 0.000 0.000 0.274 186 L C -2.291 174.333 176.870 -0.410 0.000 1.135 186 L CA -1.011 53.413 54.840 -0.692 0.000 0.870 186 L CB -0.019 42.064 42.059 0.041 0.000 1.154 186 L HN 0.249 nan 8.230 nan 0.000 0.462 187 P HA 0.141 nan 4.420 nan 0.000 0.268 187 P C 0.551 177.776 177.300 -0.124 0.000 1.205 187 P CA -0.040 62.922 63.100 -0.230 0.000 0.771 187 P CB 0.949 32.531 31.700 -0.197 0.000 0.858 188 G N 2.556 111.301 108.800 -0.092 0.000 2.404 188 G HA2 -0.144 3.816 3.960 0.000 0.000 0.215 188 G HA3 -0.144 3.816 3.960 0.000 0.000 0.215 188 G C 0.558 175.434 174.900 -0.041 0.000 1.174 188 G CA 0.588 45.657 45.100 -0.053 0.000 0.780 188 G HN 0.512 nan 8.290 nan 0.000 0.537 189 R N 0.294 120.764 120.500 -0.050 0.000 2.476 189 R HA 0.526 4.866 4.340 0.000 0.000 0.305 189 R C -1.059 175.210 176.300 -0.052 0.000 0.965 189 R CA -0.283 55.791 56.100 -0.043 0.000 0.867 189 R CB 1.571 31.846 30.300 -0.041 0.000 1.176 189 R HN 0.215 nan 8.270 nan 0.000 0.447 190 S N 1.678 117.351 115.700 -0.044 0.000 2.548 190 S HA 0.749 5.219 4.470 0.000 0.000 0.286 190 S C -1.095 173.469 174.600 -0.060 0.000 1.098 190 S CA -0.822 57.347 58.200 -0.052 0.000 0.930 190 S CB 2.065 65.246 63.200 -0.031 0.000 1.070 190 S HN 0.248 nan 8.310 nan 0.000 0.480 191 V N 2.607 122.466 119.914 -0.091 0.000 2.531 191 V HA 0.508 4.628 4.120 0.000 0.000 0.301 191 V C -0.871 175.135 176.094 -0.146 0.000 1.034 191 V CA -0.570 61.663 62.300 -0.111 0.000 0.865 191 V CB 1.335 33.079 31.823 -0.133 0.000 0.995 191 V HN 0.917 nan 8.190 nan 0.000 0.424 192 I N 5.024 125.527 120.570 -0.112 0.000 2.378 192 I HA 0.497 4.667 4.170 0.000 0.000 0.291 192 I C -0.468 175.587 176.117 -0.104 0.000 0.992 192 I CA -0.734 60.500 61.300 -0.110 0.000 1.154 192 I CB 2.044 40.007 38.000 -0.062 0.000 1.315 192 I HN 0.263 nan 8.210 nan 0.000 0.448 193 V N 5.519 125.364 119.914 -0.116 0.000 2.370 193 V HA 0.933 5.053 4.120 0.000 0.000 0.283 193 V C 0.407 176.542 176.094 0.069 0.000 1.023 193 V CA -0.271 62.009 62.300 -0.034 0.000 0.857 193 V CB 0.753 32.542 31.823 -0.058 0.000 0.985 193 V HN 1.058 nan 8.190 nan 0.000 0.443 194 G N 3.762 112.600 108.800 0.063 0.000 2.334 194 G HA2 0.488 4.448 3.960 0.000 0.000 0.566 194 G HA3 0.488 4.448 3.960 0.000 0.000 0.566 194 G C -0.415 174.507 174.900 0.036 0.000 1.413 194 G CA -0.029 45.117 45.100 0.076 0.000 0.993 194 G HN 1.351 nan 8.290 nan 0.000 0.642 195 A N -0.291 122.551 122.820 0.037 0.000 2.594 195 A HA 0.806 5.126 4.320 0.000 0.000 0.292 195 A C 1.009 178.587 177.584 -0.010 0.000 1.026 195 A CA 1.242 53.278 52.037 -0.001 0.000 0.983 195 A CB -0.064 18.932 19.000 -0.006 0.000 1.233 195 A HN 2.118 nan 8.150 nan 0.000 0.519 196 G N -1.594 107.227 108.800 0.034 0.000 2.890 196 G HA2 0.420 4.380 3.960 0.000 0.000 0.189 196 G HA3 0.420 4.380 3.960 0.000 0.000 0.189 196 G C 0.527 175.461 174.900 0.056 0.000 1.342 196 G CA -0.274 44.867 45.100 0.069 0.000 1.026 196 G HN 0.083 nan 8.290 nan 0.000 0.579 197 Y N -0.178 120.127 120.300 0.009 0.000 2.070 197 Y HA -0.109 4.441 4.550 0.000 0.000 0.280 197 Y C 2.892 178.788 175.900 -0.007 0.000 1.148 197 Y CA 1.741 59.840 58.100 -0.001 0.000 1.125 197 Y CB -0.294 38.198 38.460 0.053 0.000 0.975 197 Y HN 0.196 nan 8.280 nan 0.000 0.492 198 I N -0.737 119.955 120.570 0.204 0.000 2.286 198 I HA -0.339 3.831 4.170 0.000 0.000 0.248 198 I C 2.555 178.684 176.117 0.020 0.000 1.115 198 I CA 1.074 62.425 61.300 0.085 0.000 1.392 198 I CB -0.678 37.360 38.000 0.063 0.000 1.065 198 I HN 0.224 nan 8.210 nan 0.000 0.418 199 A N 0.550 123.389 122.820 0.031 0.000 1.877 199 A HA -0.161 4.159 4.320 0.000 0.000 0.216 199 A C 2.434 180.010 177.584 -0.014 0.000 1.186 199 A CA 1.845 53.882 52.037 -0.000 0.000 0.620 199 A CB -0.989 18.018 19.000 0.011 0.000 0.822 199 A HN 0.231 nan 8.150 nan 0.000 0.443 200 V N 0.053 119.955 119.914 -0.019 0.000 2.358 200 V HA -0.250 3.871 4.120 0.000 0.000 0.246 200 V C 2.438 178.541 176.094 0.015 0.000 1.047 200 V CA 2.264 64.545 62.300 -0.032 0.000 1.035 200 V CB -0.797 30.964 31.823 -0.103 0.000 0.658 200 V HN 0.627 nan 8.190 nan 0.000 0.452 201 E N -0.443 119.775 120.200 0.030 0.000 2.028 201 E HA -0.177 4.173 4.350 0.000 0.000 0.191 201 E C 2.322 178.950 176.600 0.047 0.000 0.988 201 E CA 1.345 57.793 56.400 0.079 0.000 0.799 201 E CB -0.175 29.585 29.700 0.101 0.000 0.755 201 E HN 0.426 nan 8.360 nan 0.000 0.447 202 M N 0.353 119.912 119.600 -0.067 0.000 2.175 202 M HA -0.060 4.420 4.480 0.000 0.000 0.264 202 M C 2.514 178.792 176.300 -0.036 0.000 1.063 202 M CA 1.066 56.258 55.300 -0.179 0.000 1.119 202 M CB -0.898 31.500 32.600 -0.336 0.000 1.377 202 M HN 0.079 nan 8.290 nan 0.000 0.415 203 A N 0.895 123.711 122.820 -0.006 0.000 1.908 203 A HA -0.036 4.284 4.320 0.000 0.000 0.218 203 A C 2.479 180.097 177.584 0.057 0.000 1.181 203 A CA 2.079 54.128 52.037 0.020 0.000 0.627 203 A CB -1.505 17.499 19.000 0.006 0.000 0.818 203 A HN 0.519 nan 8.150 nan 0.000 0.445 204 G N -0.195 108.671 108.800 0.109 0.000 2.422 204 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 204 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 204 G C 1.526 176.508 174.900 0.138 0.000 1.146 204 G CA 1.137 46.354 45.100 0.195 0.000 0.769 204 G HN 0.481 nan 8.290 nan 0.000 0.547 205 I N 0.128 120.811 120.570 0.188 0.000 2.163 205 I HA -0.077 4.093 4.170 0.000 0.000 0.240 205 I C 2.732 178.923 176.117 0.124 0.000 1.081 205 I CA 0.582 61.980 61.300 0.163 0.000 1.353 205 I CB -0.217 37.921 38.000 0.230 0.000 1.054 205 I HN 0.107 nan 8.210 nan 0.000 0.407 206 L N -0.286 121.043 121.223 0.177 0.000 2.012 206 L HA -0.264 4.076 4.340 0.000 0.000 0.210 206 L C 2.759 179.681 176.870 0.087 0.000 1.073 206 L CA 1.551 56.507 54.840 0.193 0.000 0.748 206 L CB -0.594 41.573 42.059 0.181 0.000 0.891 206 L HN 0.243 nan 8.230 nan 0.000 0.431 207 S N -0.548 115.176 115.700 0.039 0.000 2.353 207 S HA -0.219 4.251 4.470 0.000 0.000 0.222 207 S C 2.112 176.691 174.600 -0.035 0.000 1.035 207 S CA 1.378 59.579 58.200 0.001 0.000 1.025 207 S CB -0.187 63.008 63.200 -0.009 0.000 0.902 207 S HN 0.458 nan 8.310 nan 0.000 0.440 208 A N 1.039 123.795 122.820 -0.107 0.000 1.972 208 A HA 0.057 4.377 4.320 0.000 0.000 0.219 208 A C 1.982 179.472 177.584 -0.156 0.000 1.169 208 A CA 1.270 53.200 52.037 -0.180 0.000 0.635 208 A CB -0.634 18.135 19.000 -0.384 0.000 0.810 208 A HN 0.596 nan 8.150 nan 0.000 0.446 209 L N -1.631 119.507 121.223 -0.142 0.000 2.599 209 L HA 0.203 4.543 4.340 0.000 0.000 0.230 209 L C 1.657 178.533 176.870 0.009 0.000 1.141 209 L CA 0.560 55.287 54.840 -0.188 0.000 0.877 209 L CB -0.193 41.731 42.059 -0.224 0.000 1.009 209 L HN 0.589 nan 8.230 nan 0.000 0.447 210 G N -0.805 108.015 108.800 0.033 0.000 2.184 210 G HA2 -0.245 3.715 3.960 0.000 0.000 0.206 210 G HA3 -0.245 3.715 3.960 0.000 0.000 0.206 210 G C 0.349 175.282 174.900 0.056 0.000 0.995 210 G CA 0.155 45.294 45.100 0.065 0.000 0.651 210 G HN 0.255 nan 8.290 nan 0.000 0.511 211 S N 0.078 115.811 115.700 0.055 0.000 2.565 211 S HA 0.499 4.969 4.470 0.000 0.000 0.276 211 S C 0.522 175.131 174.600 0.014 0.000 1.326 211 S CA 0.213 58.431 58.200 0.030 0.000 1.045 211 S CB 0.917 64.136 63.200 0.032 0.000 0.918 211 S HN 0.587 nan 8.310 nan 0.000 0.505 212 K N 3.461 123.861 120.400 -0.000 0.000 2.262 212 K HA 0.241 4.561 4.320 0.000 0.000 0.288 212 K C -0.733 175.859 176.600 -0.012 0.000 1.090 212 K CA -0.041 56.242 56.287 -0.007 0.000 0.918 212 K CB -0.078 32.415 32.500 -0.011 0.000 1.139 212 K HN 0.507 nan 8.250 nan 0.000 0.462 213 T N 2.583 117.131 114.554 -0.009 0.000 2.824 213 T HA 0.339 4.689 4.350 0.000 0.000 0.280 213 T C -0.718 173.970 174.700 -0.020 0.000 0.995 213 T CA -0.702 61.390 62.100 -0.013 0.000 1.009 213 T CB 1.533 70.401 68.868 -0.001 0.000 0.955 213 T HN 0.434 nan 8.240 nan 0.000 0.452 214 S N 2.198 117.880 115.700 -0.029 0.000 2.500 214 S HA 0.623 5.093 4.470 0.000 0.000 0.301 214 S C -1.109 173.467 174.600 -0.040 0.000 1.092 214 S CA -0.707 57.474 58.200 -0.033 0.000 1.030 214 S CB 1.236 64.413 63.200 -0.038 0.000 1.031 214 S HN 0.541 nan 8.310 nan 0.000 0.483 215 L N 3.830 125.032 121.223 -0.035 0.000 2.298 215 L HA 0.588 4.928 4.340 0.000 0.000 0.284 215 L C -0.694 176.153 176.870 -0.038 0.000 1.013 215 L CA -0.261 54.556 54.840 -0.038 0.000 0.824 215 L CB 1.116 43.156 42.059 -0.032 0.000 1.221 215 L HN 0.762 nan 8.230 nan 0.000 0.418 216 M N 7.421 126.997 119.600 -0.040 0.000 2.061 216 M HA 0.490 4.970 4.480 0.000 0.000 0.346 216 M C -1.010 175.279 176.300 -0.017 0.000 1.112 216 M CA -0.525 54.757 55.300 -0.030 0.000 1.021 216 M CB 0.537 33.116 32.600 -0.035 0.000 1.530 216 M HN 0.685 nan 8.290 nan 0.000 0.437 217 I N 1.521 122.071 120.570 -0.034 0.000 2.646 217 I HA 0.491 4.661 4.170 0.000 0.000 0.299 217 I C 0.301 176.376 176.117 -0.070 0.000 1.036 217 I CA -0.936 60.342 61.300 -0.038 0.000 1.074 217 I CB 2.018 39.981 38.000 -0.062 0.000 1.258 217 I HN 0.705 nan 8.210 nan 0.000 0.430 218 R N 1.533 122.018 120.500 -0.025 0.000 2.189 218 R HA 0.059 4.399 4.340 0.000 0.000 0.218 218 R C 0.064 176.149 176.300 -0.359 0.000 1.074 218 R CA 1.013 57.064 56.100 -0.081 0.000 0.991 218 R CB -0.198 30.121 30.300 0.030 0.000 0.883 218 R HN 0.735 nan 8.270 nan 0.000 0.457 219 H N -1.150 117.689 119.070 -0.386 0.000 3.917 219 H HA 0.088 4.644 4.556 0.000 0.000 0.340 219 H C 0.673 175.345 175.328 -1.092 0.000 1.557 219 H CA -0.144 55.432 56.048 -0.787 0.000 1.383 219 H CB 0.230 29.785 29.762 -0.344 0.000 0.899 219 H HN -0.036 nan 8.280 nan 0.000 0.779 220 D N -0.577 119.482 120.400 -0.568 0.000 2.417 220 D HA 0.152 4.792 4.640 0.000 0.000 0.207 220 D C -0.249 175.962 176.300 -0.149 0.000 1.075 220 D CA 0.220 54.002 54.000 -0.363 0.000 0.851 220 D CB 0.972 41.716 40.800 -0.094 0.000 0.976 220 D HN 0.166 nan 8.370 nan 0.000 0.505 221 K N 0.250 120.577 120.400 -0.121 0.000 2.508 221 K HA 0.478 4.798 4.320 0.000 0.000 0.260 221 K C -0.608 175.935 176.600 -0.095 0.000 0.949 221 K CA -1.064 55.169 56.287 -0.090 0.000 0.834 221 K CB 3.392 35.849 32.500 -0.071 0.000 1.365 221 K HN -0.064 nan 8.250 nan 0.000 0.437 222 V N -0.466 119.388 119.914 -0.101 0.000 3.036 222 V HA 0.435 4.555 4.120 0.000 0.000 0.308 222 V C 0.432 176.435 176.094 -0.152 0.000 1.070 222 V CA -0.815 61.415 62.300 -0.117 0.000 1.056 222 V CB 0.288 32.032 31.823 -0.131 0.000 1.084 222 V HN 0.821 nan 8.190 nan 0.000 0.471 223 L N 0.038 121.157 121.223 -0.173 0.000 3.677 223 L HA -0.191 4.149 4.340 0.000 0.000 0.464 223 L C 1.708 178.559 176.870 -0.033 0.000 1.278 223 L CA 0.536 55.245 54.840 -0.219 0.000 0.806 223 L CB -1.257 40.404 42.059 -0.664 0.000 1.610 223 L HN 0.835 nan 8.230 nan 0.000 0.867 224 R N 0.204 120.696 120.500 -0.013 0.000 2.280 224 R HA -0.076 4.265 4.340 0.000 0.000 0.207 224 R C 2.047 178.366 176.300 0.032 0.000 1.043 224 R CA 1.332 57.419 56.100 -0.021 0.000 1.006 224 R CB -0.033 30.207 30.300 -0.100 0.000 0.885 224 R HN 0.742 nan 8.270 nan 0.000 0.467 225 S N -0.589 115.186 115.700 0.124 0.000 2.593 225 S HA 0.096 4.566 4.470 0.000 0.000 0.217 225 S C 0.410 175.050 174.600 0.068 0.000 0.966 225 S CA -0.255 57.996 58.200 0.086 0.000 0.914 225 S CB -0.002 63.238 63.200 0.066 0.000 0.776 225 S HN -0.054 nan 8.310 nan 0.000 0.523 226 F N 2.615 122.507 119.950 -0.097 0.000 2.368 226 F HA 0.461 4.988 4.527 0.000 0.000 0.315 226 F C 0.906 176.604 175.800 -0.170 0.000 1.145 226 F CA -1.903 56.026 58.000 -0.119 0.000 1.095 226 F CB 0.057 38.980 39.000 -0.130 0.000 1.286 226 F HN 0.032 nan 8.300 nan 0.000 0.530 227 D N -0.212 120.116 120.400 -0.119 0.000 2.506 227 D HA -0.005 4.635 4.640 0.000 0.000 0.234 227 D C 1.143 177.378 176.300 -0.108 0.000 1.143 227 D CA 0.703 54.540 54.000 -0.272 0.000 0.871 227 D CB 0.835 41.204 40.800 -0.719 0.000 1.190 227 D HN 0.509 nan 8.370 nan 0.000 0.459 228 S N 3.660 119.306 115.700 -0.090 0.000 2.419 228 S HA -0.290 4.180 4.470 0.000 0.000 0.235 228 S C 1.981 176.553 174.600 -0.046 0.000 1.019 228 S CA 1.009 59.178 58.200 -0.052 0.000 0.982 228 S CB -0.399 62.777 63.200 -0.041 0.000 0.789 228 S HN 0.731 nan 8.310 nan 0.000 0.490 229 M N 0.622 120.190 119.600 -0.053 0.000 2.159 229 M HA -0.053 4.427 4.480 0.000 0.000 0.263 229 M C 1.592 177.875 176.300 -0.028 0.000 1.063 229 M CA 1.623 56.905 55.300 -0.030 0.000 1.110 229 M CB -0.239 32.354 32.600 -0.012 0.000 1.374 229 M HN 0.293 nan 8.290 nan 0.000 0.411 230 I N 0.428 120.980 120.570 -0.029 0.000 2.233 230 I HA -0.192 3.978 4.170 0.000 0.000 0.243 230 I C 2.737 178.806 176.117 -0.080 0.000 1.093 230 I CA 1.709 62.989 61.300 -0.033 0.000 1.380 230 I CB -1.686 36.331 38.000 0.027 0.000 1.067 230 I HN 0.451 nan 8.210 nan 0.000 0.413 231 S N -0.043 115.616 115.700 -0.068 0.000 2.382 231 S HA -0.149 4.321 4.470 0.000 0.000 0.228 231 S C 1.993 176.545 174.600 -0.079 0.000 1.027 231 S CA 1.703 59.845 58.200 -0.096 0.000 0.991 231 S CB -0.967 62.187 63.200 -0.076 0.000 0.823 231 S HN 0.405 nan 8.310 nan 0.000 0.469 232 T N 2.569 117.091 114.554 -0.054 0.000 2.701 232 T HA -0.052 4.298 4.350 0.000 0.000 0.263 232 T C 1.851 176.524 174.700 -0.044 0.000 1.040 232 T CA 1.651 63.726 62.100 -0.041 0.000 1.147 232 T CB -0.796 68.056 68.868 -0.026 0.000 0.865 232 T HN 0.600 nan 8.240 nan 0.000 0.426 233 N N 0.218 118.892 118.700 -0.044 0.000 2.166 233 N HA -0.105 4.635 4.740 0.000 0.000 0.186 233 N C 2.048 177.526 175.510 -0.054 0.000 1.019 233 N CA 1.187 54.212 53.050 -0.042 0.000 0.856 233 N CB -0.682 37.782 38.487 -0.038 0.000 0.993 233 N HN 0.403 nan 8.380 nan 0.000 0.426 234 C N -0.477 118.776 119.300 -0.079 0.000 2.425 234 C HA -0.032 4.428 4.460 0.000 0.000 0.277 234 C C 2.491 177.435 174.990 -0.076 0.000 1.280 234 C CA 1.572 60.533 59.018 -0.095 0.000 1.744 234 C CB -1.530 26.111 27.740 -0.164 0.000 1.989 234 C HN 0.524 nan 8.230 nan 0.000 0.491 235 T N 0.597 115.107 114.554 -0.074 0.000 2.777 235 T HA -0.138 4.212 4.350 0.000 0.000 0.266 235 T C 1.578 176.254 174.700 -0.040 0.000 1.040 235 T CA 1.761 63.826 62.100 -0.059 0.000 1.141 235 T CB -0.320 68.513 68.868 -0.058 0.000 0.868 235 T HN 0.699 nan 8.240 nan 0.000 0.444 236 E N 0.884 121.063 120.200 -0.036 0.000 2.072 236 E HA -0.113 4.238 4.350 0.000 0.000 0.191 236 E C 2.408 178.993 176.600 -0.024 0.000 0.985 236 E CA 0.690 57.074 56.400 -0.026 0.000 0.801 236 E CB -0.060 29.626 29.700 -0.024 0.000 0.750 236 E HN 0.423 nan 8.360 nan 0.000 0.452 237 E N 0.908 121.092 120.200 -0.025 0.000 2.110 237 E HA -0.151 4.199 4.350 0.000 0.000 0.193 237 E C 2.292 178.888 176.600 -0.006 0.000 0.988 237 E CA 0.630 57.021 56.400 -0.014 0.000 0.804 237 E CB -0.141 29.554 29.700 -0.007 0.000 0.745 237 E HN 0.294 nan 8.360 nan 0.000 0.458 238 L N 0.860 122.077 121.223 -0.011 0.000 2.017 238 L HA -0.214 4.126 4.340 0.000 0.000 0.208 238 L C 2.402 179.264 176.870 -0.013 0.000 1.073 238 L CA 1.385 56.221 54.840 -0.006 0.000 0.745 238 L CB -0.320 41.729 42.059 -0.017 0.000 0.894 238 L HN 0.104 nan 8.230 nan 0.000 0.432 239 E N -0.172 120.017 120.200 -0.018 0.000 2.077 239 E HA -0.194 4.156 4.350 0.000 0.000 0.193 239 E C 1.853 178.441 176.600 -0.020 0.000 0.989 239 E CA 1.104 57.493 56.400 -0.018 0.000 0.800 239 E CB -0.145 29.545 29.700 -0.017 0.000 0.746 239 E HN 0.470 nan 8.360 nan 0.000 0.452 240 N N 0.643 119.330 118.700 -0.021 0.000 2.364 240 N HA -0.116 4.624 4.740 0.000 0.000 0.183 240 N C 1.281 176.774 175.510 -0.029 0.000 1.022 240 N CA 1.072 54.106 53.050 -0.026 0.000 0.883 240 N CB -0.063 38.408 38.487 -0.028 0.000 0.965 240 N HN 0.111 nan 8.380 nan 0.000 0.438 241 A N -0.498 122.309 122.820 -0.023 0.000 2.275 241 A HA 0.474 4.794 4.320 0.000 0.000 0.212 241 A C 1.450 179.014 177.584 -0.034 0.000 1.201 241 A CA 0.665 52.685 52.037 -0.028 0.000 0.843 241 A CB -0.054 18.933 19.000 -0.021 0.000 0.873 241 A HN 0.286 nan 8.150 nan 0.000 0.492 242 G N -1.608 107.175 108.800 -0.029 0.000 2.163 242 G HA2 -0.168 3.792 3.960 0.000 0.000 0.213 242 G HA3 -0.168 3.792 3.960 0.000 0.000 0.213 242 G C 0.088 174.976 174.900 -0.020 0.000 0.991 242 G CA -0.012 45.071 45.100 -0.028 0.000 0.653 242 G HN 0.688 nan 8.290 nan 0.000 0.518 243 V N 1.399 121.303 119.914 -0.017 0.000 2.488 243 V HA 0.394 4.514 4.120 0.000 0.000 0.277 243 V C 0.796 176.880 176.094 -0.017 0.000 1.046 243 V CA -0.044 62.247 62.300 -0.014 0.000 0.986 243 V CB 1.664 33.481 31.823 -0.010 0.000 0.989 243 V HN 0.438 nan 8.190 nan 0.000 0.475 244 E N 4.797 124.986 120.200 -0.017 0.000 2.105 244 E HA 0.296 4.647 4.350 0.000 0.000 0.285 244 E C -1.075 175.513 176.600 -0.019 0.000 1.055 244 E CA -0.491 55.900 56.400 -0.016 0.000 0.843 244 E CB 1.155 30.846 29.700 -0.016 0.000 1.067 244 E HN 0.509 nan 8.360 nan 0.000 0.398 245 V N 6.991 126.894 119.914 -0.019 0.000 2.364 245 V HA 0.152 4.272 4.120 0.000 0.000 0.272 245 V C 0.287 176.370 176.094 -0.018 0.000 1.036 245 V CA -0.521 61.765 62.300 -0.025 0.000 0.880 245 V CB 0.844 32.649 31.823 -0.030 0.000 0.991 245 V HN 0.677 nan 8.190 nan 0.000 0.460 246 L N 6.482 127.693 121.223 -0.020 0.000 2.302 246 L HA 0.373 4.713 4.340 0.000 0.000 0.285 246 L C 0.536 177.396 176.870 -0.016 0.000 1.090 246 L CA -0.234 54.602 54.840 -0.007 0.000 0.866 246 L CB -0.009 42.045 42.059 -0.008 0.000 1.244 246 L HN 0.597 nan 8.230 nan 0.000 0.435 247 K N 2.761 123.159 120.400 -0.004 0.000 2.168 247 K HA 0.313 4.633 4.320 0.000 0.000 0.258 247 K C 0.033 176.656 176.600 0.037 0.000 1.010 247 K CA -0.719 55.524 56.287 -0.072 0.000 0.929 247 K CB 0.464 32.926 32.500 -0.064 0.000 0.998 247 K HN 0.232 nan 8.250 nan 0.000 0.479 248 F N -0.299 119.639 119.950 -0.020 0.000 3.090 248 F HA -0.280 4.247 4.527 0.000 0.000 0.282 248 F C -0.256 175.518 175.800 -0.043 0.000 0.923 248 F CA 0.465 58.429 58.000 -0.059 0.000 0.977 248 F CB -1.981 36.986 39.000 -0.054 0.000 0.954 248 F HN 0.293 nan 8.300 nan 0.000 0.695 249 S N -0.472 115.259 115.700 0.052 0.000 2.568 249 S HA 0.838 5.308 4.470 0.000 0.000 0.293 249 S C -0.345 174.279 174.600 0.040 0.000 1.089 249 S CA -0.871 57.361 58.200 0.053 0.000 0.945 249 S CB 2.995 66.219 63.200 0.039 0.000 1.077 249 S HN 0.378 nan 8.310 nan 0.000 0.485 250 Q N -0.394 119.438 119.800 0.053 0.000 2.435 250 Q HA 0.636 4.977 4.340 0.000 0.000 0.282 250 Q C -1.727 174.323 176.000 0.084 0.000 1.020 250 Q CA -1.013 54.835 55.803 0.075 0.000 0.820 250 Q CB 1.032 29.820 28.738 0.084 0.000 1.436 250 Q HN 0.380 nan 8.270 nan 0.000 0.395 251 V N 2.640 122.633 119.914 0.130 0.000 2.555 251 V HA 0.079 4.199 4.120 0.000 0.000 0.286 251 V C 0.953 177.131 176.094 0.140 0.000 1.044 251 V CA 0.205 62.590 62.300 0.142 0.000 1.026 251 V CB 1.014 32.969 31.823 0.220 0.000 0.981 251 V HN 0.879 nan 8.190 nan 0.000 0.480 252 K N 2.978 123.438 120.400 0.101 0.000 2.350 252 K HA 0.199 4.519 4.320 0.000 0.000 0.196 252 K C 0.510 177.163 176.600 0.088 0.000 1.084 252 K CA 0.484 56.821 56.287 0.082 0.000 0.967 252 K CB 0.668 33.201 32.500 0.055 0.000 0.950 252 K HN 0.932 nan 8.250 nan 0.000 0.512 253 E N -0.563 119.693 120.200 0.094 0.000 2.392 253 E HA 0.193 4.543 4.350 0.000 0.000 0.281 253 E C -1.814 174.839 176.600 0.089 0.000 1.088 253 E CA -0.910 55.546 56.400 0.094 0.000 0.850 253 E CB 1.594 31.332 29.700 0.063 0.000 1.267 253 E HN -0.139 nan 8.360 nan 0.000 0.438 254 V N 1.631 121.603 119.914 0.096 0.000 2.735 254 V HA 0.636 4.757 4.120 0.000 0.000 0.310 254 V C -0.815 175.312 176.094 0.055 0.000 1.061 254 V CA -0.650 61.694 62.300 0.074 0.000 0.913 254 V CB 1.702 33.590 31.823 0.109 0.000 1.005 254 V HN 0.805 nan 8.190 nan 0.000 0.428 255 K N 1.662 122.081 120.400 0.033 0.000 2.508 255 K HA 0.760 5.080 4.320 0.000 0.000 0.260 255 K C -1.196 175.413 176.600 0.014 0.000 0.949 255 K CA -1.176 55.127 56.287 0.025 0.000 0.834 255 K CB 2.358 34.871 32.500 0.023 0.000 1.365 255 K HN 0.312 nan 8.250 nan 0.000 0.437 256 K N 2.272 122.680 120.400 0.013 0.000 2.250 256 K HA 0.121 4.441 4.320 0.000 0.000 0.285 256 K C -0.407 176.194 176.600 0.002 0.000 1.097 256 K CA -0.033 56.258 56.287 0.005 0.000 0.913 256 K CB 0.202 32.707 32.500 0.008 0.000 1.179 256 K HN 0.773 nan 8.250 nan 0.000 0.462 257 T N 0.370 114.922 114.554 -0.003 0.000 2.867 257 T HA 0.215 4.565 4.350 0.000 0.000 0.286 257 T C 1.485 176.181 174.700 -0.006 0.000 1.022 257 T CA -0.637 61.461 62.100 -0.004 0.000 0.933 257 T CB 0.265 69.130 68.868 -0.006 0.000 1.280 257 T HN 0.436 nan 8.240 nan 0.000 0.566 258 L N -0.082 121.136 121.223 -0.007 0.000 2.083 258 L HA 0.035 4.375 4.340 0.000 0.000 0.209 258 L C 0.954 177.817 176.870 -0.011 0.000 1.083 258 L CA 1.059 55.894 54.840 -0.008 0.000 0.752 258 L CB -0.241 41.813 42.059 -0.007 0.000 0.899 258 L HN 0.625 nan 8.230 nan 0.000 0.433 259 S N -0.364 115.328 115.700 -0.014 0.000 2.312 259 S HA 0.580 5.050 4.470 0.000 0.000 0.173 259 S C 0.002 174.589 174.600 -0.022 0.000 1.488 259 S CA 0.053 58.242 58.200 -0.018 0.000 1.239 259 S CB 1.237 64.426 63.200 -0.018 0.000 1.215 259 S HN 0.595 nan 8.310 nan 0.000 0.438 260 G N 1.855 110.641 108.800 -0.023 0.000 2.500 260 G HA2 -0.090 3.870 3.960 0.000 0.000 0.209 260 G HA3 -0.090 3.870 3.960 0.000 0.000 0.209 260 G C -1.267 173.619 174.900 -0.023 0.000 1.283 260 G CA -1.007 44.076 45.100 -0.028 0.000 0.960 260 G HN 0.563 nan 8.290 nan 0.000 0.528 261 L N 0.133 121.339 121.223 -0.029 0.000 2.358 261 L HA 0.806 5.146 4.340 0.000 0.000 0.268 261 L C 0.339 177.194 176.870 -0.024 0.000 1.032 261 L CA -0.754 54.071 54.840 -0.024 0.000 0.805 261 L CB 1.892 43.931 42.059 -0.033 0.000 1.253 261 L HN 0.824 nan 8.230 nan 0.000 0.452 262 E N 0.805 120.996 120.200 -0.015 0.000 2.241 262 E HA 0.473 4.823 4.350 0.000 0.000 0.263 262 E C -1.815 174.779 176.600 -0.009 0.000 0.882 262 E CA -0.592 55.800 56.400 -0.013 0.000 0.769 262 E CB 2.083 31.780 29.700 -0.005 0.000 1.185 262 E HN 0.302 nan 8.360 nan 0.000 0.415 263 V N 3.528 123.431 119.914 -0.018 0.000 2.398 263 V HA 0.320 4.440 4.120 0.000 0.000 0.286 263 V C -0.146 175.947 176.094 -0.001 0.000 1.026 263 V CA -0.634 61.657 62.300 -0.016 0.000 0.868 263 V CB 1.615 33.409 31.823 -0.049 0.000 0.982 263 V HN 0.670 nan 8.190 nan 0.000 0.443 264 S N 6.997 122.707 115.700 0.016 0.000 2.438 264 S HA 0.723 5.193 4.470 0.000 0.000 0.293 264 S C -0.202 174.415 174.600 0.028 0.000 1.141 264 S CA -0.563 57.650 58.200 0.021 0.000 1.080 264 S CB 0.696 63.913 63.200 0.029 0.000 0.978 264 S HN 0.775 nan 8.310 nan 0.000 0.479 265 M N 1.838 121.451 119.600 0.022 0.000 2.644 265 M HA 0.812 5.292 4.480 0.000 0.000 0.304 265 M C -1.575 174.743 176.300 0.029 0.000 1.215 265 M CA -0.975 54.342 55.300 0.029 0.000 0.871 265 M CB 1.613 34.226 32.600 0.021 0.000 1.740 265 M HN 0.183 nan 8.290 nan 0.000 0.464 266 V N 1.217 121.153 119.914 0.036 0.000 2.448 266 V HA 0.529 4.649 4.120 0.000 0.000 0.295 266 V C -0.445 175.674 176.094 0.041 0.000 1.025 266 V CA -0.367 61.953 62.300 0.033 0.000 0.859 266 V CB 1.848 33.690 31.823 0.033 0.000 0.988 266 V HN 0.996 nan 8.190 nan 0.000 0.431 267 T N 4.311 118.889 114.554 0.040 0.000 2.770 267 T HA 0.637 4.987 4.350 0.000 0.000 0.283 267 T C 0.073 174.799 174.700 0.044 0.000 0.988 267 T CA -0.220 61.916 62.100 0.059 0.000 0.957 267 T CB 1.365 70.265 68.868 0.054 0.000 0.930 267 T HN 0.852 nan 8.240 nan 0.000 0.443 268 A N 3.868 126.724 122.820 0.059 0.000 2.978 268 A HA 0.589 4.909 4.320 0.000 0.000 0.341 268 A C 0.106 177.613 177.584 -0.127 0.000 1.105 268 A CA -0.541 51.486 52.037 -0.015 0.000 0.819 268 A CB 0.124 19.119 19.000 -0.009 0.000 1.080 268 A HN 0.674 nan 8.150 nan 0.000 0.476 269 V N 2.843 122.643 119.914 -0.189 0.000 2.655 269 V HA 0.144 4.264 4.120 0.000 0.000 0.300 269 V C -1.978 173.823 176.094 -0.488 0.000 1.044 269 V CA -0.741 61.258 62.300 -0.501 0.000 1.095 269 V CB 0.751 32.416 31.823 -0.262 0.000 0.952 269 V HN 0.627 nan 8.190 nan 0.000 0.485 270 P HA 0.304 nan 4.420 nan 0.000 0.271 270 P C 0.678 177.837 177.300 -0.234 0.000 1.220 270 P CA 0.826 63.703 63.100 -0.372 0.000 0.768 270 P CB 0.815 32.318 31.700 -0.329 0.000 0.848 271 G N 1.321 110.033 108.800 -0.148 0.000 2.130 271 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 271 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 271 G C 0.099 174.947 174.900 -0.087 0.000 0.999 271 G CA -0.235 44.806 45.100 -0.098 0.000 0.686 271 G HN 0.692 nan 8.290 nan 0.000 0.515 272 R N -1.426 119.015 120.500 -0.097 0.000 2.764 272 R HA 0.747 5.087 4.340 0.000 0.000 0.270 272 R C -0.242 176.021 176.300 -0.062 0.000 1.014 272 R CA -0.910 55.145 56.100 -0.074 0.000 0.904 272 R CB 0.935 31.182 30.300 -0.089 0.000 1.236 272 R HN 0.117 nan 8.270 nan 0.000 0.466 273 L N 3.136 124.334 121.223 -0.043 0.000 2.350 273 L HA 0.467 4.807 4.340 0.000 0.000 0.275 273 L C -1.782 175.070 176.870 -0.030 0.000 1.099 273 L CA -1.891 52.930 54.840 -0.032 0.000 0.808 273 L CB 0.853 42.899 42.059 -0.022 0.000 1.149 273 L HN 0.485 nan 8.230 nan 0.000 0.442 274 P HA 0.076 nan 4.420 nan 0.000 0.269 274 P C -0.902 176.395 177.300 -0.005 0.000 1.209 274 P CA -0.067 63.025 63.100 -0.013 0.000 0.776 274 P CB 1.275 32.971 31.700 -0.007 0.000 0.876 275 V N 3.678 123.594 119.914 0.002 0.000 2.760 275 V HA 0.480 4.600 4.120 0.000 0.000 0.309 275 V C -0.854 175.246 176.094 0.011 0.000 1.077 275 V CA -0.961 61.341 62.300 0.005 0.000 0.910 275 V CB 1.952 33.777 31.823 0.003 0.000 1.008 275 V HN 0.381 nan 8.190 nan 0.000 0.424 276 M N 4.794 124.400 119.600 0.010 0.000 2.209 276 M HA 0.525 5.005 4.480 0.000 0.000 0.355 276 M C -0.473 175.833 176.300 0.010 0.000 1.171 276 M CA -0.098 55.210 55.300 0.013 0.000 1.069 276 M CB 1.790 34.397 32.600 0.012 0.000 1.622 276 M HN 0.821 nan 8.290 nan 0.000 0.459 277 T N 3.158 117.719 114.554 0.011 0.000 2.900 277 T HA 0.603 4.953 4.350 0.000 0.000 0.295 277 T C -0.933 173.770 174.700 0.006 0.000 1.044 277 T CA -0.672 61.432 62.100 0.007 0.000 0.995 277 T CB 2.016 70.888 68.868 0.007 0.000 1.072 277 T HN 0.504 nan 8.240 nan 0.000 0.473 278 M N 2.407 122.008 119.600 0.002 0.000 2.336 278 M HA 0.576 5.056 4.480 0.000 0.000 0.342 278 M C -1.148 175.148 176.300 -0.006 0.000 1.128 278 M CA -0.654 54.646 55.300 -0.000 0.000 1.016 278 M CB 0.973 33.573 32.600 0.000 0.000 1.665 278 M HN 0.488 nan 8.290 nan 0.000 0.445 279 I N 6.531 127.094 120.570 -0.012 0.000 2.354 279 I HA 0.437 4.607 4.170 0.000 0.000 0.286 279 I C -2.266 173.838 176.117 -0.022 0.000 1.007 279 I CA -1.684 59.604 61.300 -0.020 0.000 1.167 279 I CB 1.328 39.310 38.000 -0.029 0.000 1.320 279 I HN 0.437 nan 8.210 nan 0.000 0.458 280 P HA 0.292 nan 4.420 nan 0.000 0.285 280 P C -0.943 176.343 177.300 -0.023 0.000 1.280 280 P CA -0.249 62.840 63.100 -0.018 0.000 0.862 280 P CB 0.966 32.658 31.700 -0.014 0.000 1.153 281 D N -1.839 118.547 120.400 -0.024 0.000 2.699 281 D HA -0.101 4.539 4.640 0.000 0.000 0.239 281 D C -0.412 175.867 176.300 -0.035 0.000 1.136 281 D CA 0.637 54.621 54.000 -0.027 0.000 0.668 281 D CB -1.896 38.890 40.800 -0.023 0.000 1.060 281 D HN 0.072 nan 8.370 nan 0.000 0.429 282 V N 1.102 120.991 119.914 -0.041 0.000 2.432 282 V HA 0.073 4.193 4.120 0.000 0.000 0.275 282 V C 1.419 177.478 176.094 -0.058 0.000 1.043 282 V CA -0.188 62.080 62.300 -0.053 0.000 0.925 282 V CB 1.795 33.579 31.823 -0.064 0.000 0.985 282 V HN 0.032 nan 8.190 nan 0.000 0.466 283 D N 1.864 122.224 120.400 -0.066 0.000 2.201 283 D HA 0.038 4.678 4.640 0.000 0.000 0.209 283 D C 0.542 176.792 176.300 -0.084 0.000 0.961 283 D CA 0.885 54.840 54.000 -0.075 0.000 0.861 283 D CB 0.484 41.232 40.800 -0.086 0.000 0.997 283 D HN 0.545 nan 8.370 nan 0.000 0.486 284 C N 1.550 120.797 119.300 -0.088 0.000 2.397 284 C HA 0.612 5.072 4.460 0.000 0.000 0.325 284 C C -1.181 173.740 174.990 -0.115 0.000 1.201 284 C CA -0.921 58.042 59.018 -0.091 0.000 1.377 284 C CB -0.156 27.533 27.740 -0.084 0.000 2.038 284 C HN 0.143 nan 8.230 nan 0.000 0.457 285 L N 7.080 128.213 121.223 -0.150 0.000 2.294 285 L HA 0.686 5.027 4.340 0.000 0.000 0.283 285 L C -0.999 175.677 176.870 -0.323 0.000 1.015 285 L CA -0.125 54.553 54.840 -0.270 0.000 0.831 285 L CB 1.121 42.984 42.059 -0.328 0.000 1.217 285 L HN 0.785 nan 8.230 nan 0.000 0.420 286 L N 5.506 126.544 121.223 -0.308 0.000 2.298 286 L HA 0.485 4.825 4.340 0.000 0.000 0.284 286 L C -1.250 175.484 176.870 -0.227 0.000 1.013 286 L CA -0.396 54.327 54.840 -0.194 0.000 0.824 286 L CB 0.880 42.901 42.059 -0.064 0.000 1.221 286 L HN 0.681 nan 8.230 nan 0.000 0.418 287 W N 5.019 126.326 121.300 0.012 0.000 2.388 287 W HA 0.500 5.160 4.660 0.000 0.000 0.308 287 W C 0.360 176.885 176.519 0.011 0.000 1.263 287 W CA -0.595 56.756 57.345 0.011 0.000 1.286 287 W CB 1.178 30.643 29.460 0.009 0.000 1.294 287 W HN 0.569 nan 8.180 nan 0.000 0.493 288 A N 5.304 128.261 122.820 0.229 0.000 3.297 288 A HA 0.320 4.640 4.320 0.000 0.000 0.304 288 A C 0.233 177.906 177.584 0.149 0.000 0.963 288 A CA -0.466 51.657 52.037 0.143 0.000 0.935 288 A CB -0.686 18.357 19.000 0.072 0.000 1.093 288 A HN 0.792 nan 8.150 nan 0.000 0.480 289 I N -3.065 117.608 120.570 0.172 0.000 3.914 289 I HA 0.624 4.794 4.170 0.000 0.000 0.333 289 I C 0.555 176.732 176.117 0.101 0.000 1.449 289 I CA 0.187 61.572 61.300 0.140 0.000 1.135 289 I CB 0.204 38.297 38.000 0.156 0.000 1.073 289 I HN 0.538 nan 8.210 nan 0.000 0.401 290 G N 1.458 110.317 108.800 0.097 0.000 2.353 290 G HA2 0.054 4.014 3.960 0.000 0.000 0.615 290 G HA3 0.054 4.014 3.960 0.000 0.000 0.615 290 G C -1.250 173.692 174.900 0.070 0.000 1.280 290 G CA -1.072 44.078 45.100 0.085 0.000 1.000 290 G HN 0.302 nan 8.290 nan 0.000 0.516 291 R N -1.281 119.262 120.500 0.071 0.000 2.795 291 R HA 0.779 5.119 4.340 0.000 0.000 0.275 291 R C -0.890 175.445 176.300 0.059 0.000 0.981 291 R CA -0.693 55.442 56.100 0.060 0.000 0.917 291 R CB 2.143 32.480 30.300 0.062 0.000 1.202 291 R HN 1.227 nan 8.270 nan 0.000 0.469 292 V N 2.077 122.006 119.914 0.025 0.000 2.715 292 V HA 0.564 4.684 4.120 0.000 0.000 0.310 292 V C -2.358 173.720 176.094 -0.027 0.000 1.054 292 V CA -2.555 59.732 62.300 -0.021 0.000 0.928 292 V CB 2.225 34.026 31.823 -0.037 0.000 1.007 292 V HN 0.581 nan 8.190 nan 0.000 0.437 293 P HA 0.203 nan 4.420 nan 0.000 0.274 293 P C -1.016 176.271 177.300 -0.021 0.000 1.231 293 P CA -0.243 62.833 63.100 -0.041 0.000 0.790 293 P CB 0.444 32.082 31.700 -0.104 0.000 0.951 294 N N 1.223 119.935 118.700 0.019 0.000 2.949 294 N HA 0.124 4.864 4.740 0.000 0.000 0.243 294 N C 0.281 175.818 175.510 0.046 0.000 1.113 294 N CA 0.093 53.160 53.050 0.029 0.000 0.980 294 N CB -0.176 38.331 38.487 0.033 0.000 1.256 294 N HN 0.396 nan 8.380 nan 0.000 0.508 295 T N -2.312 112.266 114.554 0.040 0.000 3.041 295 T HA 0.132 4.482 4.350 0.000 0.000 0.276 295 T C 1.516 176.257 174.700 0.069 0.000 0.948 295 T CA -0.225 61.911 62.100 0.060 0.000 0.885 295 T CB 0.430 69.324 68.868 0.043 0.000 1.175 295 T HN 0.065 nan 8.240 nan 0.000 0.529 296 K N 1.914 122.346 120.400 0.054 0.000 2.034 296 K HA -0.155 4.165 4.320 0.000 0.000 0.214 296 K C 0.569 177.219 176.600 0.083 0.000 1.051 296 K CA 1.856 58.175 56.287 0.053 0.000 0.931 296 K CB -0.396 32.127 32.500 0.038 0.000 0.715 296 K HN 0.360 nan 8.250 nan 0.000 0.446 297 D N 0.511 120.986 120.400 0.125 0.000 2.395 297 D HA 0.053 4.693 4.640 0.000 0.000 0.226 297 D C 1.235 177.682 176.300 0.244 0.000 1.146 297 D CA 0.016 54.120 54.000 0.173 0.000 0.830 297 D CB 0.325 41.223 40.800 0.163 0.000 0.958 297 D HN 0.207 nan 8.370 nan 0.000 0.501 298 L N -0.257 121.075 121.223 0.182 0.000 2.446 298 L HA -0.018 4.322 4.340 0.000 0.000 0.219 298 L C 0.546 177.575 176.870 0.266 0.000 1.116 298 L CA 0.255 55.210 54.840 0.192 0.000 0.844 298 L CB 0.053 42.243 42.059 0.217 0.000 0.970 298 L HN -0.118 nan 8.230 nan 0.000 0.457 299 S N -0.258 115.561 115.700 0.198 0.000 3.748 299 S HA -0.163 4.307 4.470 0.000 0.000 0.329 299 S C 1.155 175.854 174.600 0.165 0.000 1.104 299 S CA 0.174 58.478 58.200 0.174 0.000 0.954 299 S CB -1.744 61.564 63.200 0.180 0.000 0.910 299 S HN 0.320 nan 8.310 nan 0.000 0.494 300 L N 1.452 122.743 121.223 0.114 0.000 2.079 300 L HA -0.202 4.138 4.340 0.000 0.000 0.210 300 L C 2.533 179.360 176.870 -0.072 0.000 1.081 300 L CA 1.958 56.783 54.840 -0.026 0.000 0.752 300 L CB -0.605 41.443 42.059 -0.018 0.000 0.896 300 L HN 0.724 nan 8.230 nan 0.000 0.433 301 N N 0.497 119.188 118.700 -0.015 0.000 2.364 301 N HA -0.225 4.515 4.740 0.000 0.000 0.183 301 N C 1.468 176.964 175.510 -0.022 0.000 1.022 301 N CA 0.999 54.037 53.050 -0.020 0.000 0.883 301 N CB -0.237 38.251 38.487 0.001 0.000 0.965 301 N HN 0.427 nan 8.380 nan 0.000 0.438 302 K N 0.265 120.663 120.400 -0.004 0.000 2.362 302 K HA 0.115 4.435 4.320 0.000 0.000 0.200 302 K C 1.532 178.113 176.600 -0.032 0.000 1.046 302 K CA 0.553 56.844 56.287 0.007 0.000 0.952 302 K CB 0.153 32.688 32.500 0.057 0.000 0.753 302 K HN 0.238 nan 8.250 nan 0.000 0.466 303 L N -1.133 120.029 121.223 -0.102 0.000 2.731 303 L HA 0.205 4.545 4.340 0.000 0.000 0.240 303 L C 0.745 177.537 176.870 -0.129 0.000 1.120 303 L CA -0.038 54.713 54.840 -0.149 0.000 0.913 303 L CB 0.796 42.672 42.059 -0.304 0.000 1.213 303 L HN 0.279 nan 8.230 nan 0.000 0.515 304 G N 1.740 110.478 108.800 -0.102 0.000 2.198 304 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 304 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 304 G C 0.094 174.937 174.900 -0.094 0.000 1.042 304 G CA -0.113 44.941 45.100 -0.077 0.000 0.791 304 G HN 0.264 nan 8.290 nan 0.000 0.502 305 I N 0.436 120.926 120.570 -0.133 0.000 2.556 305 I HA 0.136 4.306 4.170 0.000 0.000 0.284 305 I C 1.183 177.258 176.117 -0.070 0.000 1.114 305 I CA 0.006 61.228 61.300 -0.128 0.000 1.418 305 I CB 0.820 38.701 38.000 -0.200 0.000 1.394 305 I HN 0.214 nan 8.210 nan 0.000 0.552 306 Q N 4.616 124.388 119.800 -0.047 0.000 2.314 306 Q HA 0.285 4.625 4.340 0.000 0.000 0.258 306 Q C -0.240 175.757 176.000 -0.005 0.000 0.954 306 Q CA -0.064 55.725 55.803 -0.022 0.000 0.890 306 Q CB 1.197 29.927 28.738 -0.014 0.000 1.210 306 Q HN 0.751 nan 8.270 nan 0.000 0.410 307 T N -1.469 113.088 114.554 0.004 0.000 2.901 307 T HA 0.398 4.749 4.350 0.000 0.000 0.293 307 T C -0.518 174.199 174.700 0.028 0.000 1.084 307 T CA -1.126 60.988 62.100 0.023 0.000 1.008 307 T CB 1.508 70.383 68.868 0.013 0.000 1.170 307 T HN 0.560 nan 8.240 nan 0.000 0.509 308 D N 0.044 120.476 120.400 0.053 0.000 2.478 308 D HA 0.180 4.820 4.640 0.000 0.000 0.274 308 D C 0.752 177.068 176.300 0.027 0.000 1.234 308 D CA -0.420 53.611 54.000 0.052 0.000 1.069 308 D CB 0.042 40.902 40.800 0.100 0.000 1.113 308 D HN 0.610 nan 8.370 nan 0.000 0.571 309 D N -1.433 118.983 120.400 0.026 0.000 2.363 309 D HA -0.107 4.533 4.640 0.000 0.000 0.220 309 D C 0.860 177.152 176.300 -0.015 0.000 0.994 309 D CA 0.516 54.519 54.000 0.005 0.000 0.890 309 D CB -0.087 40.716 40.800 0.005 0.000 0.906 309 D HN 0.161 nan 8.370 nan 0.000 0.530 310 K N -0.221 120.164 120.400 -0.026 0.000 2.393 310 K HA 0.257 4.577 4.320 0.000 0.000 0.193 310 K C 1.518 177.984 176.600 -0.223 0.000 1.026 310 K CA 0.640 56.857 56.287 -0.117 0.000 1.064 310 K CB 0.468 32.884 32.500 -0.139 0.000 0.833 310 K HN 0.339 nan 8.250 nan 0.000 0.521 311 G N 1.451 110.158 108.800 -0.155 0.000 2.179 311 G HA2 -0.232 3.729 3.960 0.000 0.000 0.220 311 G HA3 -0.232 3.729 3.960 0.000 0.000 0.220 311 G C -0.355 174.458 174.900 -0.144 0.000 0.990 311 G CA -0.172 44.848 45.100 -0.133 0.000 0.646 311 G HN 0.486 nan 8.290 nan 0.000 0.517 312 H N -0.194 118.884 119.070 0.013 0.000 2.707 312 H HA 0.533 5.089 4.556 0.000 0.000 0.359 312 H C 1.029 176.364 175.328 0.011 0.000 1.113 312 H CA 0.071 56.127 56.048 0.013 0.000 1.422 312 H CB 0.869 30.634 29.762 0.005 0.000 1.443 312 H HN 0.267 nan 8.280 nan 0.000 0.591 313 I N 3.643 124.308 120.570 0.158 0.000 2.441 313 I HA 0.003 4.173 4.170 0.000 0.000 0.287 313 I C -0.060 176.101 176.117 0.073 0.000 1.049 313 I CA -0.260 61.094 61.300 0.090 0.000 1.381 313 I CB 0.557 38.605 38.000 0.079 0.000 1.409 313 I HN 0.349 nan 8.210 nan 0.000 0.523 314 I N 7.486 128.083 120.570 0.044 0.000 2.441 314 I HA 0.258 4.428 4.170 0.000 0.000 0.287 314 I C 0.267 176.397 176.117 0.022 0.000 1.049 314 I CA -0.080 61.233 61.300 0.023 0.000 1.381 314 I CB 0.757 38.765 38.000 0.013 0.000 1.409 314 I HN 0.279 nan 8.210 nan 0.000 0.523 315 V N 2.785 122.708 119.914 0.014 0.000 3.130 315 V HA 0.713 4.833 4.120 0.000 0.000 0.310 315 V C -0.569 175.539 176.094 0.024 0.000 1.158 315 V CA -0.992 61.332 62.300 0.039 0.000 1.029 315 V CB 2.090 33.952 31.823 0.065 0.000 1.057 315 V HN 0.710 nan 8.190 nan 0.000 0.436 316 D N 0.455 120.894 120.400 0.065 0.000 2.507 316 D HA 0.194 4.834 4.640 0.000 0.000 0.280 316 D C 1.064 177.372 176.300 0.012 0.000 1.219 316 D CA 0.149 54.181 54.000 0.054 0.000 1.085 316 D CB 0.297 41.172 40.800 0.124 0.000 1.134 316 D HN 0.828 nan 8.370 nan 0.000 0.583 317 E N -0.758 119.394 120.200 -0.079 0.000 2.338 317 E HA -0.145 4.205 4.350 0.000 0.000 0.197 317 E C 0.655 177.043 176.600 -0.353 0.000 1.007 317 E CA 0.745 56.993 56.400 -0.254 0.000 0.849 317 E CB -0.463 29.007 29.700 -0.384 0.000 0.774 317 E HN 0.424 nan 8.360 nan 0.000 0.506 318 F N 0.846 120.849 119.950 0.087 0.000 2.664 318 F HA 0.231 4.758 4.527 0.000 0.000 0.303 318 F C 0.459 176.335 175.800 0.127 0.000 1.092 318 F CA -0.218 57.838 58.000 0.093 0.000 1.305 318 F CB 0.610 39.658 39.000 0.080 0.000 1.054 318 F HN -0.167 nan 8.300 nan 0.000 0.565 319 Q N -1.054 118.898 119.800 0.253 0.000 2.429 319 Q HA -0.200 4.140 4.340 0.000 0.000 0.232 319 Q C -0.776 175.420 176.000 0.327 0.000 0.724 319 Q CA 0.416 56.369 55.803 0.251 0.000 1.287 319 Q CB -2.397 26.488 28.738 0.244 0.000 1.429 319 Q HN 0.393 nan 8.270 nan 0.000 0.721 320 N N 1.837 120.730 118.700 0.323 0.000 2.530 320 N HA 0.191 4.931 4.740 0.000 0.000 0.273 320 N C 0.901 176.476 175.510 0.108 0.000 1.173 320 N CA 0.863 54.065 53.050 0.253 0.000 0.967 320 N CB 0.975 39.590 38.487 0.212 0.000 1.109 320 N HN 0.387 nan 8.380 nan 0.000 0.453 321 T N -1.323 113.235 114.554 0.006 0.000 2.865 321 T HA 0.116 4.466 4.350 0.000 0.000 0.302 321 T C 1.317 175.999 174.700 -0.029 0.000 1.078 321 T CA -0.550 61.539 62.100 -0.018 0.000 0.942 321 T CB 0.306 69.137 68.868 -0.062 0.000 1.387 321 T HN 0.534 nan 8.240 nan 0.000 0.557 322 N N -0.511 118.164 118.700 -0.041 0.000 2.463 322 N HA 0.009 4.749 4.740 0.000 0.000 0.181 322 N C 0.076 175.553 175.510 -0.056 0.000 1.078 322 N CA 0.069 53.098 53.050 -0.035 0.000 0.902 322 N CB -0.423 38.045 38.487 -0.031 0.000 0.970 322 N HN 0.383 nan 8.380 nan 0.000 0.451 323 V N 1.479 121.338 119.914 -0.092 0.000 2.394 323 V HA 0.188 4.308 4.120 0.000 0.000 0.282 323 V C 0.422 176.437 176.094 -0.132 0.000 1.031 323 V CA -1.014 61.220 62.300 -0.110 0.000 0.881 323 V CB 1.402 33.137 31.823 -0.147 0.000 0.982 323 V HN 0.048 nan 8.190 nan 0.000 0.451 324 K N 3.078 123.421 120.400 -0.095 0.000 2.451 324 K HA 0.361 4.681 4.320 0.000 0.000 0.280 324 K C 1.202 177.728 176.600 -0.123 0.000 1.020 324 K CA 0.977 57.211 56.287 -0.088 0.000 1.008 324 K CB 0.403 32.881 32.500 -0.036 0.000 0.917 324 K HN 1.141 nan 8.250 nan 0.000 0.478 325 G N 2.714 111.408 108.800 -0.177 0.000 2.143 325 G HA2 -0.244 3.716 3.960 0.000 0.000 0.249 325 G HA3 -0.244 3.716 3.960 0.000 0.000 0.249 325 G C 0.025 174.704 174.900 -0.368 0.000 0.981 325 G CA -0.265 44.750 45.100 -0.142 0.000 0.665 325 G HN 0.548 nan 8.290 nan 0.000 0.528 326 I N 0.136 120.315 120.570 -0.652 0.000 2.436 326 I HA 0.581 4.751 4.170 0.000 0.000 0.289 326 I C -0.234 175.461 176.117 -0.704 0.000 1.010 326 I CA -1.111 59.908 61.300 -0.468 0.000 1.098 326 I CB 1.450 39.331 38.000 -0.198 0.000 1.266 326 I HN 0.035 nan 8.210 nan 0.000 0.434 327 Y N 3.912 124.308 120.300 0.161 0.000 2.633 327 Y HA 0.855 5.405 4.550 0.000 0.000 0.339 327 Y C 0.088 176.068 175.900 0.132 0.000 1.045 327 Y CA -1.148 57.041 58.100 0.148 0.000 1.098 327 Y CB 1.867 40.435 38.460 0.181 0.000 1.296 327 Y HN 0.581 nan 8.280 nan 0.000 0.494 328 A N 0.786 123.771 122.820 0.274 0.000 2.520 328 A HA 0.848 5.168 4.320 0.000 0.000 0.298 328 A C -1.408 176.282 177.584 0.177 0.000 1.051 328 A CA -0.571 51.579 52.037 0.189 0.000 0.690 328 A CB 1.250 20.331 19.000 0.135 0.000 1.281 328 A HN 1.151 nan 8.150 nan 0.000 0.402 329 V N -0.858 119.144 119.914 0.147 0.000 3.159 329 V HA 1.017 5.137 4.120 0.000 0.000 0.308 329 V C 0.427 176.587 176.094 0.108 0.000 1.190 329 V CA 0.135 62.517 62.300 0.137 0.000 1.037 329 V CB 0.924 32.829 31.823 0.136 0.000 1.060 329 V HN 2.966 nan 8.190 nan 0.000 0.437 330 G N 1.656 110.521 108.800 0.109 0.000 2.632 330 G HA2 -0.166 3.794 3.960 0.000 0.000 0.224 330 G HA3 -0.166 3.794 3.960 0.000 0.000 0.224 330 G C -0.032 174.913 174.900 0.075 0.000 1.341 330 G CA 0.563 45.713 45.100 0.083 0.000 0.880 330 G HN 1.110 nan 8.290 nan 0.000 0.566 331 D N -0.797 119.639 120.400 0.061 0.000 2.190 331 D HA -0.077 4.563 4.640 0.000 0.000 0.200 331 D C 2.478 178.841 176.300 0.105 0.000 0.992 331 D CA 1.421 55.459 54.000 0.063 0.000 0.854 331 D CB -0.203 40.629 40.800 0.053 0.000 0.936 331 D HN 0.546 nan 8.370 nan 0.000 0.462 332 V N -0.107 119.873 119.914 0.109 0.000 2.720 332 V HA -0.227 3.893 4.120 0.000 0.000 0.256 332 V C 1.830 178.045 176.094 0.201 0.000 1.082 332 V CA 1.330 63.720 62.300 0.149 0.000 1.101 332 V CB -0.234 31.653 31.823 0.107 0.000 0.693 332 V HN 0.327 nan 8.190 nan 0.000 0.479 333 C N 0.456 119.822 119.300 0.111 0.000 2.594 333 C HA 0.397 4.857 4.460 0.000 0.000 0.265 333 C C 1.984 176.883 174.990 -0.151 0.000 1.351 333 C CA 0.175 59.215 59.018 0.037 0.000 1.744 333 C CB -1.103 26.646 27.740 0.014 0.000 1.890 333 C HN 0.847 nan 8.230 nan 0.000 0.551 334 G N 1.757 110.436 108.800 -0.203 0.000 2.179 334 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 334 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 334 G C -0.100 174.603 174.900 -0.328 0.000 1.010 334 G CA 0.825 45.593 45.100 -0.553 0.000 0.736 334 G HN 0.757 nan 8.290 nan 0.000 0.513 335 K N -1.374 118.920 120.400 -0.176 0.000 2.397 335 K HA 0.757 5.078 4.320 0.000 0.000 0.253 335 K C 0.422 177.020 176.600 -0.003 0.000 0.932 335 K CA -0.020 56.186 56.287 -0.135 0.000 0.795 335 K CB 1.862 34.220 32.500 -0.236 0.000 1.159 335 K HN 1.721 nan 8.250 nan 0.000 0.424 336 A N 3.973 126.808 122.820 0.025 0.000 2.183 336 A HA -0.122 4.198 4.320 0.000 0.000 0.278 336 A C -0.237 177.374 177.584 0.046 0.000 1.404 336 A CA 0.402 52.485 52.037 0.077 0.000 0.737 336 A CB -1.935 17.192 19.000 0.213 0.000 1.172 336 A HN 0.742 nan 8.150 nan 0.000 0.338 337 L N 1.514 122.732 121.223 -0.009 0.000 2.382 337 L HA 0.361 4.701 4.340 0.000 0.000 0.259 337 L C 0.192 177.024 176.870 -0.063 0.000 1.291 337 L CA 0.336 55.160 54.840 -0.026 0.000 1.176 337 L CB -0.645 41.393 42.059 -0.035 0.000 1.373 337 L HN 0.563 nan 8.230 nan 0.000 0.426 338 L N 0.299 121.507 121.223 -0.025 0.000 2.409 338 L HA 0.364 4.705 4.340 0.000 0.000 0.262 338 L C 1.190 178.057 176.870 -0.004 0.000 0.992 338 L CA -0.477 54.345 54.840 -0.030 0.000 0.817 338 L CB 2.211 44.261 42.059 -0.015 0.000 1.350 338 L HN 0.091 nan 8.230 nan 0.000 0.411 339 T N 0.960 115.514 114.554 -0.001 0.000 2.652 339 T HA -0.065 4.285 4.350 0.000 0.000 0.267 339 T C -1.132 173.575 174.700 0.012 0.000 1.039 339 T CA 1.801 63.906 62.100 0.009 0.000 1.153 339 T CB -0.543 68.332 68.868 0.011 0.000 0.863 339 T HN 0.479 nan 8.240 nan 0.000 0.428 340 P HA 0.045 nan 4.420 nan 0.000 0.222 340 P C 1.411 178.702 177.300 -0.016 0.000 1.147 340 P CA 0.459 63.561 63.100 0.003 0.000 0.790 340 P CB -0.162 31.541 31.700 0.006 0.000 0.780 341 V N 0.190 120.092 119.914 -0.019 0.000 2.379 341 V HA -0.170 3.950 4.120 0.000 0.000 0.245 341 V C 2.512 178.597 176.094 -0.015 0.000 1.044 341 V CA 2.036 64.308 62.300 -0.047 0.000 1.036 341 V CB -1.635 30.179 31.823 -0.016 0.000 0.664 341 V HN 0.096 nan 8.190 nan 0.000 0.453 342 A N 0.109 122.942 122.820 0.021 0.000 1.902 342 A HA -0.171 4.149 4.320 0.000 0.000 0.217 342 A C 2.192 179.796 177.584 0.033 0.000 1.181 342 A CA 1.904 53.966 52.037 0.042 0.000 0.623 342 A CB -0.519 18.506 19.000 0.041 0.000 0.818 342 A HN 0.485 nan 8.150 nan 0.000 0.443 343 I N -0.354 120.228 120.570 0.021 0.000 2.113 343 I HA -0.287 3.883 4.170 0.000 0.000 0.238 343 I C 3.039 179.164 176.117 0.014 0.000 1.070 343 I CA 1.165 62.478 61.300 0.021 0.000 1.332 343 I CB -0.463 37.548 38.000 0.018 0.000 1.044 343 I HN 0.362 nan 8.210 nan 0.000 0.402 344 A N 0.744 123.558 122.820 -0.011 0.000 1.908 344 A HA -0.217 4.104 4.320 0.000 0.000 0.218 344 A C 2.517 180.089 177.584 -0.021 0.000 1.181 344 A CA 2.112 54.133 52.037 -0.028 0.000 0.627 344 A CB -0.933 18.022 19.000 -0.074 0.000 0.818 344 A HN 0.470 nan 8.150 nan 0.000 0.445 345 A N -0.648 122.156 122.820 -0.027 0.000 1.902 345 A HA 0.143 4.463 4.320 0.000 0.000 0.217 345 A C 2.411 180.032 177.584 0.063 0.000 1.181 345 A CA 1.890 53.938 52.037 0.019 0.000 0.623 345 A CB -1.345 17.701 19.000 0.076 0.000 0.818 345 A HN 0.752 nan 8.150 nan 0.000 0.443 346 G N -0.708 108.131 108.800 0.066 0.000 2.408 346 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 346 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 346 G C 1.793 176.741 174.900 0.079 0.000 1.150 346 G CA 0.867 46.019 45.100 0.085 0.000 0.776 346 G HN 0.560 nan 8.290 nan 0.000 0.542 347 R N 0.083 120.624 120.500 0.068 0.000 2.062 347 R HA 0.058 4.398 4.340 0.000 0.000 0.229 347 R C 2.587 178.980 176.300 0.156 0.000 1.128 347 R CA 0.941 57.096 56.100 0.091 0.000 0.960 347 R CB -0.152 30.210 30.300 0.103 0.000 0.855 347 R HN 0.093 nan 8.270 nan 0.000 0.432 348 K N 0.869 121.341 120.400 0.120 0.000 2.152 348 K HA -0.158 4.162 4.320 0.000 0.000 0.206 348 K C 2.041 178.696 176.600 0.093 0.000 1.048 348 K CA 0.890 57.250 56.287 0.121 0.000 0.933 348 K CB -0.327 32.206 32.500 0.056 0.000 0.721 348 K HN 0.118 nan 8.250 nan 0.000 0.447 349 L N 0.920 122.173 121.223 0.049 0.000 2.109 349 L HA -0.030 4.311 4.340 0.000 0.000 0.207 349 L C 2.189 178.974 176.870 -0.142 0.000 1.086 349 L CA 1.705 56.523 54.840 -0.037 0.000 0.760 349 L CB -0.663 41.385 42.059 -0.019 0.000 0.910 349 L HN 0.106 nan 8.230 nan 0.000 0.437 350 A N -1.304 121.466 122.820 -0.083 0.000 1.902 350 A HA -0.238 4.082 4.320 0.000 0.000 0.217 350 A C 2.218 179.679 177.584 -0.205 0.000 1.181 350 A CA 1.719 53.672 52.037 -0.139 0.000 0.623 350 A CB -0.988 17.934 19.000 -0.131 0.000 0.818 350 A HN 0.669 nan 8.150 nan 0.000 0.443 351 H N -0.938 118.076 119.070 -0.093 0.000 2.387 351 H HA -0.100 4.456 4.556 0.000 0.000 0.299 351 H C 2.304 177.517 175.328 -0.192 0.000 1.090 351 H CA 1.765 57.749 56.048 -0.107 0.000 1.332 351 H CB -0.111 29.615 29.762 -0.059 0.000 1.386 351 H HN 0.567 nan 8.280 nan 0.000 0.516 352 R N 0.814 121.262 120.500 -0.087 0.000 2.066 352 R HA -0.075 4.265 4.340 0.000 0.000 0.232 352 R C 2.394 178.432 176.300 -0.437 0.000 1.131 352 R CA 0.895 56.884 56.100 -0.186 0.000 0.955 352 R CB -0.082 30.143 30.300 -0.124 0.000 0.851 352 R HN 0.197 nan 8.270 nan 0.000 0.432 353 L N -0.759 120.062 121.223 -0.669 0.000 2.044 353 L HA -0.057 4.283 4.340 0.000 0.000 0.205 353 L C 1.638 177.608 176.870 -1.500 0.000 1.075 353 L CA 1.141 55.265 54.840 -1.193 0.000 0.747 353 L CB -0.223 40.780 42.059 -1.760 0.000 0.903 353 L HN 0.180 nan 8.230 nan 0.000 0.435 354 F N -1.184 118.346 119.950 -0.700 0.000 2.721 354 F HA 0.108 4.635 4.527 0.000 0.000 0.301 354 F C 1.946 177.365 175.800 -0.635 0.000 1.096 354 F CA 0.091 57.692 58.000 -0.664 0.000 1.308 354 F CB 0.177 38.906 39.000 -0.451 0.000 1.086 354 F HN 0.019 nan 8.300 nan 0.000 0.587 355 E N -1.097 118.830 120.200 -0.456 0.000 2.630 355 E HA 0.050 4.400 4.350 0.000 0.000 0.218 355 E C -0.292 176.248 176.600 -0.099 0.000 0.977 355 E CA -0.065 56.234 56.400 -0.167 0.000 1.038 355 E CB 0.167 29.899 29.700 0.054 0.000 1.051 355 E HN 0.295 nan 8.360 nan 0.000 0.487 356 Y N -0.271 119.993 120.300 -0.059 0.000 3.825 356 Y HA -0.283 4.267 4.550 0.000 0.000 0.221 356 Y C -0.334 175.540 175.900 -0.044 0.000 1.195 356 Y CA 0.724 58.782 58.100 -0.069 0.000 1.699 356 Y CB -2.002 36.431 38.460 -0.045 0.000 1.531 356 Y HN 0.045 nan 8.280 nan 0.000 0.640 357 K N 1.854 122.256 120.400 0.003 0.000 2.150 357 K HA 0.099 4.419 4.320 0.000 0.000 0.261 357 K C 1.050 177.651 176.600 0.001 0.000 1.127 357 K CA 0.404 56.705 56.287 0.024 0.000 0.989 357 K CB 0.284 32.800 32.500 0.028 0.000 1.475 357 K HN 0.650 nan 8.250 nan 0.000 0.391 358 E N 1.280 121.476 120.200 -0.007 0.000 2.267 358 E HA -0.229 4.121 4.350 0.000 0.000 0.197 358 E C 0.747 177.340 176.600 -0.011 0.000 0.998 358 E CA 1.585 57.944 56.400 -0.069 0.000 0.830 358 E CB 0.036 29.683 29.700 -0.088 0.000 0.751 358 E HN 0.467 nan 8.360 nan 0.000 0.491 359 D N 0.828 121.281 120.400 0.088 0.000 2.339 359 D HA -0.024 4.616 4.640 0.000 0.000 0.217 359 D C 0.159 176.592 176.300 0.221 0.000 1.050 359 D CA -0.083 54.037 54.000 0.200 0.000 0.856 359 D CB 0.082 40.952 40.800 0.116 0.000 0.922 359 D HN 0.032 nan 8.370 nan 0.000 0.518 360 S N 0.551 116.351 115.700 0.167 0.000 2.443 360 S HA 0.286 4.756 4.470 0.000 0.000 0.284 360 S C -0.207 174.513 174.600 0.200 0.000 1.206 360 S CA -0.459 57.817 58.200 0.127 0.000 1.074 360 S CB -0.236 63.009 63.200 0.075 0.000 0.963 360 S HN 0.435 nan 8.310 nan 0.000 0.501 361 K N 2.989 123.455 120.400 0.111 0.000 2.607 361 K HA 0.471 4.791 4.320 0.000 0.000 0.287 361 K C -1.718 174.874 176.600 -0.014 0.000 0.996 361 K CA -1.141 55.180 56.287 0.057 0.000 0.876 361 K CB 0.549 33.007 32.500 -0.069 0.000 1.496 361 K HN 0.367 nan 8.250 nan 0.000 0.415 362 L N 1.769 122.969 121.223 -0.038 0.000 2.305 362 L HA 0.327 4.667 4.340 0.000 0.000 0.281 362 L C -0.758 176.028 176.870 -0.140 0.000 1.085 362 L CA 0.298 55.047 54.840 -0.152 0.000 0.813 362 L CB 1.022 42.885 42.059 -0.327 0.000 1.157 362 L HN 0.714 nan 8.230 nan 0.000 0.436 363 D N 3.284 123.606 120.400 -0.131 0.000 2.325 363 D HA 0.049 4.689 4.640 0.000 0.000 0.251 363 D C 0.040 176.278 176.300 -0.102 0.000 1.196 363 D CA 0.224 54.194 54.000 -0.050 0.000 0.866 363 D CB 0.522 41.300 40.800 -0.036 0.000 1.101 363 D HN 0.494 nan 8.370 nan 0.000 0.476 364 Y N 1.982 122.260 120.300 -0.038 0.000 2.502 364 Y HA 0.133 4.684 4.550 0.000 0.000 0.295 364 Y C 0.467 176.353 175.900 -0.023 0.000 1.193 364 Y CA -0.167 57.915 58.100 -0.030 0.000 1.295 364 Y CB -0.488 37.949 38.460 -0.037 0.000 1.059 364 Y HN 0.290 nan 8.280 nan 0.000 0.514 365 N N 0.249 118.999 118.700 0.083 0.000 2.509 365 N HA 0.145 4.885 4.740 0.000 0.000 0.287 365 N C -0.398 175.128 175.510 0.027 0.000 1.121 365 N CA -0.456 52.626 53.050 0.053 0.000 0.977 365 N CB 0.258 38.772 38.487 0.045 0.000 1.167 365 N HN 0.137 nan 8.380 nan 0.000 0.476 366 N N -0.293 118.424 118.700 0.028 0.000 2.740 366 N HA -0.187 4.553 4.740 0.000 0.000 0.248 366 N C -1.186 174.329 175.510 0.008 0.000 1.062 366 N CA 0.087 53.149 53.050 0.020 0.000 0.704 366 N CB -1.145 37.357 38.487 0.026 0.000 0.968 366 N HN 0.469 nan 8.380 nan 0.000 0.547 367 I N 1.367 121.941 120.570 0.005 0.000 2.371 367 I HA 0.261 4.431 4.170 0.000 0.000 0.290 367 I C -1.626 174.497 176.117 0.010 0.000 1.028 367 I CA -1.635 59.663 61.300 -0.004 0.000 1.345 367 I CB 0.618 38.615 38.000 -0.004 0.000 1.407 367 I HN -0.065 nan 8.210 nan 0.000 0.501 368 P HA 0.284 nan 4.420 nan 0.000 0.282 368 P C -0.666 176.659 177.300 0.041 0.000 1.259 368 P CA -0.394 62.722 63.100 0.026 0.000 0.826 368 P CB 1.698 33.417 31.700 0.032 0.000 1.064 369 T N 0.073 114.661 114.554 0.057 0.000 2.982 369 T HA 0.443 4.793 4.350 0.000 0.000 0.321 369 T C -1.570 173.171 174.700 0.069 0.000 1.229 369 T CA -0.440 61.721 62.100 0.102 0.000 1.044 369 T CB 0.930 69.913 68.868 0.191 0.000 1.184 369 T HN 0.082 nan 8.240 nan 0.000 0.477 370 V N 4.466 124.382 119.914 0.003 0.000 2.604 370 V HA 0.622 4.742 4.120 0.000 0.000 0.305 370 V C -0.327 175.592 176.094 -0.291 0.000 1.043 370 V CA -0.668 61.485 62.300 -0.245 0.000 0.888 370 V CB 2.054 33.549 31.823 -0.548 0.000 0.995 370 V HN 0.791 nan 8.190 nan 0.000 0.429 371 V N 5.083 124.790 119.914 -0.346 0.000 2.370 371 V HA 0.381 4.501 4.120 0.000 0.000 0.283 371 V C -0.280 175.504 176.094 -0.517 0.000 1.023 371 V CA -0.374 61.741 62.300 -0.308 0.000 0.857 371 V CB 1.192 32.790 31.823 -0.375 0.000 0.985 371 V HN 0.722 nan 8.190 nan 0.000 0.443 372 F N 3.931 123.724 119.950 -0.262 0.000 2.659 372 F HA 0.229 4.756 4.527 0.000 0.000 0.360 372 F C 1.395 177.053 175.800 -0.236 0.000 1.218 372 F CA -0.122 57.532 58.000 -0.576 0.000 1.317 372 F CB -0.273 38.151 39.000 -0.961 0.000 1.697 372 F HN 0.592 nan 8.300 nan 0.000 0.637 373 S N -0.618 115.048 115.700 -0.058 0.000 2.690 373 S HA 0.472 4.942 4.470 0.000 0.000 0.285 373 S C -0.463 174.105 174.600 -0.052 0.000 1.135 373 S CA -0.814 57.388 58.200 0.002 0.000 1.020 373 S CB 0.986 64.158 63.200 -0.047 0.000 1.159 373 S HN 0.373 nan 8.310 nan 0.000 0.534 374 H N 1.195 120.372 119.070 0.179 0.000 2.860 374 H HA 0.450 5.006 4.556 0.000 0.000 0.312 374 H C -2.708 172.646 175.328 0.044 0.000 0.995 374 H CA -1.441 54.672 56.048 0.108 0.000 1.311 374 H CB 1.138 30.896 29.762 -0.007 0.000 1.478 374 H HN 0.452 nan 8.280 nan 0.000 0.508 375 P HA 0.164 nan 4.420 nan 0.000 0.276 375 P C -2.593 174.754 177.300 0.078 0.000 1.261 375 P CA -1.728 61.444 63.100 0.121 0.000 0.800 375 P CB 0.193 31.952 31.700 0.098 0.000 1.066 376 P HA 0.232 nan 4.420 nan 0.000 0.272 376 P C -0.401 176.839 177.300 -0.099 0.000 1.230 376 P CA 0.266 63.340 63.100 -0.043 0.000 0.788 376 P CB 0.499 32.150 31.700 -0.083 0.000 0.949 377 I N 0.449 120.907 120.570 -0.187 0.000 2.493 377 I HA 0.596 4.766 4.170 0.000 0.000 0.298 377 I C 0.757 176.804 176.117 -0.115 0.000 0.998 377 I CA -0.362 60.862 61.300 -0.126 0.000 1.137 377 I CB 2.004 39.909 38.000 -0.158 0.000 1.310 377 I HN 0.339 nan 8.210 nan 0.000 0.445 378 G N 2.267 111.054 108.800 -0.022 0.000 2.617 378 G HA2 0.619 4.579 3.960 0.000 0.000 0.306 378 G HA3 0.619 4.579 3.960 0.000 0.000 0.306 378 G C -1.253 173.686 174.900 0.066 0.000 1.360 378 G CA -0.372 44.729 45.100 0.001 0.000 0.983 378 G HN 0.483 nan 8.290 nan 0.000 0.496 379 T N -0.434 114.166 114.554 0.076 0.000 2.956 379 T HA 0.650 5.001 4.350 0.000 0.000 0.312 379 T C -1.674 173.025 174.700 -0.002 0.000 1.151 379 T CA -0.519 61.621 62.100 0.068 0.000 1.024 379 T CB 1.919 70.911 68.868 0.206 0.000 1.140 379 T HN 1.208 nan 8.240 nan 0.000 0.473 380 V N 4.164 124.025 119.914 -0.088 0.000 2.851 380 V HA 0.823 4.943 4.120 0.000 0.000 0.307 380 V C 0.360 176.406 176.094 -0.080 0.000 1.129 380 V CA 1.119 63.389 62.300 -0.050 0.000 0.932 380 V CB 1.032 32.852 31.823 -0.005 0.000 1.024 380 V HN 1.834 nan 8.190 nan 0.000 0.426 381 G N 4.984 113.772 108.800 -0.019 0.000 2.568 381 G HA2 -0.134 3.827 3.960 0.000 0.000 0.222 381 G HA3 -0.134 3.827 3.960 0.000 0.000 0.222 381 G C -0.725 174.209 174.900 0.057 0.000 1.321 381 G CA -0.212 44.893 45.100 0.009 0.000 0.893 381 G HN 1.235 nan 8.290 nan 0.000 0.569 382 L N 1.652 122.930 121.223 0.092 0.000 2.371 382 L HA 0.509 4.849 4.340 0.000 0.000 0.272 382 L C 1.714 178.732 176.870 0.247 0.000 1.124 382 L CA -0.138 54.783 54.840 0.136 0.000 0.816 382 L CB 1.133 43.279 42.059 0.146 0.000 1.129 382 L HN 1.025 nan 8.230 nan 0.000 0.448 383 T N -2.286 112.348 114.554 0.133 0.000 2.788 383 T HA 0.047 4.397 4.350 0.000 0.000 0.287 383 T C 0.952 175.680 174.700 0.047 0.000 1.007 383 T CA -0.524 61.569 62.100 -0.012 0.000 1.005 383 T CB 1.262 70.042 68.868 -0.147 0.000 1.012 383 T HN 0.759 nan 8.240 nan 0.000 0.530 384 E N 0.174 120.368 120.200 -0.009 0.000 2.118 384 E HA -0.232 4.118 4.350 0.000 0.000 0.195 384 E C 1.291 177.911 176.600 0.034 0.000 0.992 384 E CA 1.637 58.051 56.400 0.024 0.000 0.804 384 E CB -0.114 29.584 29.700 -0.004 0.000 0.741 384 E HN 0.671 nan 8.360 nan 0.000 0.458 385 D N 0.242 120.649 120.400 0.011 0.000 2.149 385 D HA -0.120 4.520 4.640 0.000 0.000 0.201 385 D C 1.694 178.030 176.300 0.060 0.000 0.972 385 D CA 0.861 54.877 54.000 0.026 0.000 0.835 385 D CB -0.110 40.689 40.800 -0.002 0.000 0.966 385 D HN 0.340 nan 8.370 nan 0.000 0.476 386 E N 0.619 120.849 120.200 0.050 0.000 2.106 386 E HA -0.079 4.272 4.350 0.000 0.000 0.192 386 E C 2.017 178.699 176.600 0.137 0.000 0.984 386 E CA 0.907 57.351 56.400 0.073 0.000 0.806 386 E CB 0.046 29.772 29.700 0.044 0.000 0.750 386 E HN 0.168 nan 8.360 nan 0.000 0.458 387 A N 0.781 123.697 122.820 0.161 0.000 1.970 387 A HA -0.070 4.250 4.320 0.000 0.000 0.216 387 A C 2.101 179.839 177.584 0.257 0.000 1.170 387 A CA 0.599 52.800 52.037 0.275 0.000 0.645 387 A CB -0.330 18.809 19.000 0.231 0.000 0.816 387 A HN 0.113 nan 8.150 nan 0.000 0.447 388 I N -0.980 119.681 120.570 0.153 0.000 2.226 388 I HA -0.263 3.907 4.170 0.000 0.000 0.245 388 I C 2.583 178.761 176.117 0.101 0.000 1.100 388 I CA 1.606 62.975 61.300 0.115 0.000 1.374 388 I CB -0.392 37.653 38.000 0.075 0.000 1.057 388 I HN 0.547 nan 8.210 nan 0.000 0.413 389 H N 1.573 120.654 119.070 0.018 0.000 2.423 389 H HA -0.197 4.359 4.556 0.000 0.000 0.297 389 H C 2.121 177.413 175.328 -0.061 0.000 1.075 389 H CA 1.836 57.874 56.048 -0.017 0.000 1.342 389 H CB 0.230 29.977 29.762 -0.024 0.000 1.395 389 H HN 0.271 nan 8.280 nan 0.000 0.530 390 K N -0.658 119.680 120.400 -0.103 0.000 2.137 390 K HA -0.075 4.245 4.320 0.000 0.000 0.202 390 K C 1.029 177.318 176.600 -0.518 0.000 1.052 390 K CA 0.980 57.054 56.287 -0.354 0.000 0.961 390 K CB 0.177 32.426 32.500 -0.418 0.000 0.741 390 K HN 0.209 nan 8.250 nan 0.000 0.452 391 Y N -0.733 119.541 120.300 -0.044 0.000 2.483 391 Y HA 0.347 4.897 4.550 0.000 0.000 0.258 391 Y C 0.444 176.318 175.900 -0.044 0.000 1.083 391 Y CA 0.059 58.136 58.100 -0.038 0.000 1.283 391 Y CB 1.544 39.994 38.460 -0.017 0.000 1.178 391 Y HN 0.149 nan 8.280 nan 0.000 0.515 392 G N 0.873 109.724 108.800 0.084 0.000 2.907 392 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 392 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 392 G C 0.379 175.310 174.900 0.052 0.000 1.115 392 G CA -0.357 44.766 45.100 0.039 0.000 0.760 392 G HN 0.077 nan 8.290 nan 0.000 0.620 393 I N 1.258 121.846 120.570 0.029 0.000 2.236 393 I HA -0.242 3.928 4.170 0.000 0.000 0.249 393 I C 2.791 178.913 176.117 0.009 0.000 1.102 393 I CA 2.527 63.838 61.300 0.019 0.000 1.365 393 I CB -0.536 37.469 38.000 0.009 0.000 1.051 393 I HN 0.920 nan 8.210 nan 0.000 0.420 394 E N 0.744 120.949 120.200 0.009 0.000 2.268 394 E HA -0.192 4.158 4.350 0.000 0.000 0.195 394 E C 0.912 177.510 176.600 -0.003 0.000 0.995 394 E CA 0.950 57.350 56.400 0.000 0.000 0.836 394 E CB -0.345 29.356 29.700 0.002 0.000 0.763 394 E HN 0.542 nan 8.360 nan 0.000 0.491 395 N N 0.829 119.536 118.700 0.012 0.000 2.230 395 N HA 0.119 4.859 4.740 0.000 0.000 0.202 395 N C -0.676 174.808 175.510 -0.044 0.000 1.119 395 N CA 0.077 53.126 53.050 -0.002 0.000 0.851 395 N CB 1.607 40.121 38.487 0.045 0.000 0.990 395 N HN -0.024 nan 8.380 nan 0.000 0.497 396 V N 1.106 121.001 119.914 -0.031 0.000 2.448 396 V HA 0.333 4.453 4.120 0.000 0.000 0.295 396 V C -0.184 175.864 176.094 -0.077 0.000 1.025 396 V CA -0.756 61.513 62.300 -0.052 0.000 0.859 396 V CB 2.263 34.087 31.823 0.002 0.000 0.988 396 V HN -0.021 nan 8.190 nan 0.000 0.431 397 K N 3.156 123.491 120.400 -0.109 0.000 2.443 397 K HA 0.753 5.073 4.320 0.000 0.000 0.252 397 K C -0.432 176.036 176.600 -0.221 0.000 0.933 397 K CA -0.268 55.909 56.287 -0.184 0.000 0.792 397 K CB 2.077 34.463 32.500 -0.191 0.000 1.185 397 K HN 0.840 nan 8.250 nan 0.000 0.425 398 T N 0.030 114.406 114.554 -0.296 0.000 2.932 398 T HA 0.574 4.925 4.350 0.000 0.000 0.289 398 T C -0.987 173.440 174.700 -0.454 0.000 1.039 398 T CA -0.584 61.384 62.100 -0.219 0.000 1.024 398 T CB 0.695 69.513 68.868 -0.083 0.000 1.090 398 T HN 0.392 nan 8.240 nan 0.000 0.496 399 Y N 0.332 120.611 120.300 -0.035 0.000 2.512 399 Y HA 0.680 5.230 4.550 0.000 0.000 0.348 399 Y C 0.431 176.324 175.900 -0.010 0.000 0.990 399 Y CA -0.564 57.520 58.100 -0.027 0.000 1.033 399 Y CB 2.666 41.096 38.460 -0.049 0.000 1.259 399 Y HN 1.158 nan 8.280 nan 0.000 0.461 400 S N 0.411 116.209 115.700 0.163 0.000 2.596 400 S HA 0.857 5.327 4.470 0.000 0.000 0.270 400 S C -1.152 173.522 174.600 0.124 0.000 1.155 400 S CA -0.699 57.572 58.200 0.117 0.000 0.827 400 S CB 2.284 65.531 63.200 0.078 0.000 1.130 400 S HN 0.693 nan 8.310 nan 0.000 0.467 401 T N 0.088 114.725 114.554 0.137 0.000 2.889 401 T HA 0.742 5.092 4.350 0.000 0.000 0.315 401 T C -1.780 173.043 174.700 0.204 0.000 1.291 401 T CA -0.301 61.910 62.100 0.185 0.000 1.028 401 T CB 1.738 70.739 68.868 0.221 0.000 1.235 401 T HN 1.158 nan 8.240 nan 0.000 0.491 402 S N 2.521 118.361 115.700 0.234 0.000 2.614 402 S HA 0.841 5.312 4.470 0.000 0.000 0.275 402 S C -1.569 173.187 174.600 0.261 0.000 1.161 402 S CA -0.680 57.606 58.200 0.144 0.000 0.969 402 S CB 0.250 63.495 63.200 0.074 0.000 1.059 402 S HN 0.726 nan 8.310 nan 0.000 0.482 403 F N 0.130 120.118 119.950 0.064 0.000 2.741 403 F HA 0.682 5.209 4.527 0.000 0.000 0.313 403 F C -0.797 175.059 175.800 0.093 0.000 1.153 403 F CA -0.929 57.115 58.000 0.073 0.000 0.931 403 F CB 0.951 39.997 39.000 0.077 0.000 1.335 403 F HN 0.256 nan 8.300 nan 0.000 0.460 404 T N 2.889 117.589 114.554 0.244 0.000 2.733 404 T HA 0.465 4.815 4.350 0.000 0.000 0.294 404 T C -2.674 172.244 174.700 0.363 0.000 0.956 404 T CA -1.095 61.121 62.100 0.194 0.000 0.987 404 T CB 0.806 69.782 68.868 0.179 0.000 0.920 404 T HN 0.319 nan 8.240 nan 0.000 0.470 405 P HA 0.033 nan 4.420 nan 0.000 0.264 405 P C 1.075 178.578 177.300 0.339 0.000 1.183 405 P CA -0.102 63.239 63.100 0.402 0.000 0.763 405 P CB 0.424 32.306 31.700 0.304 0.000 0.807 406 M N 3.750 123.518 119.600 0.281 0.000 2.255 406 M HA -0.276 4.204 4.480 0.000 0.000 0.259 406 M C 1.595 177.987 176.300 0.153 0.000 1.071 406 M CA 1.753 57.164 55.300 0.184 0.000 1.074 406 M CB -0.626 32.056 32.600 0.136 0.000 1.384 406 M HN 0.368 nan 8.290 nan 0.000 0.415 407 Y N 0.342 120.676 120.300 0.057 0.000 2.241 407 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 407 Y C 1.609 177.513 175.900 0.007 0.000 1.166 407 Y CA 2.046 60.145 58.100 -0.002 0.000 1.203 407 Y CB -0.302 38.062 38.460 -0.161 0.000 0.977 407 Y HN 0.402 nan 8.280 nan 0.000 0.529 408 H N -0.683 118.479 119.070 0.155 0.000 2.517 408 H HA 0.364 4.920 4.556 0.000 0.000 0.282 408 H C 2.042 177.360 175.328 -0.016 0.000 1.023 408 H CA 0.470 56.553 56.048 0.059 0.000 1.169 408 H CB -0.046 29.823 29.762 0.179 0.000 1.454 408 H HN 0.497 nan 8.280 nan 0.000 0.556 409 A N 1.101 123.957 122.820 0.061 0.000 2.024 409 A HA -0.101 4.219 4.320 0.000 0.000 0.220 409 A C 2.095 179.640 177.584 -0.065 0.000 1.164 409 A CA 1.816 53.863 52.037 0.018 0.000 0.643 409 A CB -0.368 18.639 19.000 0.012 0.000 0.806 409 A HN 0.280 nan 8.150 nan 0.000 0.451 410 V N -3.181 116.625 119.914 -0.181 0.000 3.380 410 V HA 0.279 4.399 4.120 0.000 0.000 0.307 410 V C 0.417 176.341 176.094 -0.284 0.000 1.434 410 V CA 0.486 62.616 62.300 -0.283 0.000 1.075 410 V CB -0.775 30.771 31.823 -0.462 0.000 0.954 410 V HN 0.482 nan 8.190 nan 0.000 0.444 411 T N -2.954 111.517 114.554 -0.139 0.000 2.940 411 T HA 0.516 4.866 4.350 0.000 0.000 0.288 411 T C 0.456 175.173 174.700 0.029 0.000 1.033 411 T CA -0.511 61.573 62.100 -0.025 0.000 1.033 411 T CB 2.483 71.443 68.868 0.154 0.000 1.079 411 T HN 0.154 nan 8.240 nan 0.000 0.496 412 K N -0.238 120.185 120.400 0.038 0.000 2.186 412 K HA 0.110 4.430 4.320 0.000 0.000 0.202 412 K C 1.287 177.901 176.600 0.023 0.000 1.052 412 K CA 0.215 56.515 56.287 0.022 0.000 0.965 412 K CB 0.174 32.685 32.500 0.018 0.000 0.746 412 K HN 0.476 nan 8.250 nan 0.000 0.457 413 R N 1.754 122.294 120.500 0.066 0.000 2.441 413 R HA 0.074 4.414 4.340 0.000 0.000 0.284 413 R C -0.751 175.506 176.300 -0.073 0.000 1.070 413 R CA 0.095 56.218 56.100 0.039 0.000 1.047 413 R CB 0.536 30.914 30.300 0.130 0.000 1.016 413 R HN -0.186 nan 8.270 nan 0.000 0.477 414 K N 2.232 122.495 120.400 -0.228 0.000 2.435 414 K HA 0.376 4.697 4.320 0.000 0.000 0.251 414 K C -0.845 175.485 176.600 -0.451 0.000 0.954 414 K CA -0.755 55.207 56.287 -0.542 0.000 0.820 414 K CB 2.299 34.652 32.500 -0.245 0.000 1.292 414 K HN 0.870 nan 8.250 nan 0.000 0.436 415 T N -1.983 112.248 114.554 -0.538 0.000 2.883 415 T HA 0.547 4.897 4.350 0.000 0.000 0.296 415 T C -0.566 174.108 174.700 -0.044 0.000 1.117 415 T CA -0.891 61.135 62.100 -0.122 0.000 1.006 415 T CB 2.590 71.513 68.868 0.090 0.000 1.191 415 T HN 0.418 nan 8.240 nan 0.000 0.508 416 K N -0.624 119.755 120.400 -0.035 0.000 2.258 416 K HA 0.707 5.027 4.320 0.000 0.000 0.236 416 K C -1.331 175.178 176.600 -0.151 0.000 1.008 416 K CA -0.958 55.280 56.287 -0.082 0.000 0.869 416 K CB 1.949 34.402 32.500 -0.078 0.000 1.171 416 K HN 0.804 nan 8.250 nan 0.000 0.447 417 C N 2.855 121.934 119.300 -0.368 0.000 2.364 417 C HA 0.661 5.121 4.460 0.000 0.000 0.324 417 C C -1.067 173.680 174.990 -0.406 0.000 1.234 417 C CA -0.461 58.266 59.018 -0.485 0.000 1.417 417 C CB -0.165 27.006 27.740 -0.948 0.000 2.101 417 C HN 0.495 nan 8.230 nan 0.000 0.466 418 V N 5.256 125.070 119.914 -0.167 0.000 2.604 418 V HA 0.787 4.907 4.120 0.000 0.000 0.305 418 V C -0.622 175.480 176.094 0.013 0.000 1.043 418 V CA -0.623 61.646 62.300 -0.052 0.000 0.888 418 V CB 1.598 33.409 31.823 -0.021 0.000 0.995 418 V HN 0.933 nan 8.190 nan 0.000 0.429 419 M N 4.218 123.860 119.600 0.070 0.000 2.386 419 M HA 0.656 5.136 4.480 0.000 0.000 0.293 419 M C -0.927 175.423 176.300 0.084 0.000 1.120 419 M CA -0.531 54.817 55.300 0.079 0.000 0.909 419 M CB 2.768 35.429 32.600 0.102 0.000 1.661 419 M HN 0.865 nan 8.290 nan 0.000 0.452 420 K N 3.230 123.679 120.400 0.082 0.000 2.482 420 K HA 0.701 5.021 4.320 0.000 0.000 0.251 420 K C -1.878 174.758 176.600 0.061 0.000 0.936 420 K CA -0.573 55.774 56.287 0.099 0.000 0.791 420 K CB 2.504 35.090 32.500 0.143 0.000 1.213 420 K HN 0.864 nan 8.250 nan 0.000 0.428 421 M N 5.396 125.027 119.600 0.052 0.000 2.243 421 M HA 0.375 4.856 4.480 0.000 0.000 0.324 421 M C -1.621 174.706 176.300 0.045 0.000 1.031 421 M CA -0.845 54.443 55.300 -0.019 0.000 0.949 421 M CB 1.607 34.148 32.600 -0.098 0.000 1.615 421 M HN 0.410 nan 8.290 nan 0.000 0.430 422 V N 5.176 125.092 119.914 0.004 0.000 2.350 422 V HA 0.392 4.512 4.120 0.000 0.000 0.276 422 V C -0.401 175.670 176.094 -0.037 0.000 1.028 422 V CA -0.538 61.772 62.300 0.016 0.000 0.860 422 V CB 0.808 32.677 31.823 0.077 0.000 0.990 422 V HN 0.974 nan 8.190 nan 0.000 0.453 423 C N 3.987 123.262 119.300 -0.040 0.000 2.454 423 C HA 0.963 5.423 4.460 0.000 0.000 0.336 423 C C 0.561 175.453 174.990 -0.163 0.000 1.189 423 C CA -0.597 58.372 59.018 -0.081 0.000 1.877 423 C CB 1.307 29.050 27.740 0.006 0.000 2.348 423 C HN 0.989 nan 8.230 nan 0.000 0.508 424 A N 2.614 125.277 122.820 -0.262 0.000 2.435 424 A HA 0.845 5.165 4.320 0.000 0.000 0.304 424 A C -0.386 177.014 177.584 -0.307 0.000 1.064 424 A CA -0.375 51.389 52.037 -0.455 0.000 0.727 424 A CB 0.500 18.834 19.000 -1.110 0.000 1.284 424 A HN 1.158 nan 8.150 nan 0.000 0.415 425 N N -0.136 118.421 118.700 -0.238 0.000 6.799 425 N HA -0.209 4.531 4.740 0.000 0.000 0.418 425 N C 0.782 176.249 175.510 -0.071 0.000 0.942 425 N CA 0.802 53.783 53.050 -0.115 0.000 1.476 425 N CB -0.122 38.310 38.487 -0.092 0.000 0.802 425 N HN 0.852 nan 8.380 nan 0.000 0.350 426 K N 1.397 121.775 120.400 -0.037 0.000 2.148 426 K HA -0.157 4.163 4.320 0.000 0.000 0.204 426 K C 1.213 177.805 176.600 -0.014 0.000 1.050 426 K CA 1.828 58.104 56.287 -0.019 0.000 0.942 426 K CB -0.051 32.444 32.500 -0.008 0.000 0.724 426 K HN 0.594 nan 8.250 nan 0.000 0.446 427 E N 1.051 121.239 120.200 -0.020 0.000 2.274 427 E HA -0.153 4.197 4.350 0.000 0.000 0.194 427 E C -0.322 176.265 176.600 -0.021 0.000 0.996 427 E CA 0.505 56.896 56.400 -0.014 0.000 0.840 427 E CB -0.389 29.302 29.700 -0.014 0.000 0.772 427 E HN 0.372 nan 8.360 nan 0.000 0.491 428 E N 1.072 121.249 120.200 -0.038 0.000 2.287 428 E HA -0.190 4.160 4.350 0.000 0.000 0.229 428 E C -0.423 176.140 176.600 -0.062 0.000 1.194 428 E CA 0.518 56.895 56.400 -0.038 0.000 0.704 428 E CB -1.384 28.323 29.700 0.012 0.000 1.216 428 E HN 0.260 nan 8.360 nan 0.000 0.381 429 K N 0.676 121.024 120.400 -0.086 0.000 2.412 429 K HA 0.164 4.484 4.320 0.000 0.000 0.281 429 K C -0.016 176.521 176.600 -0.105 0.000 1.027 429 K CA -0.252 55.989 56.287 -0.077 0.000 0.989 429 K CB 0.788 33.236 32.500 -0.087 0.000 0.935 429 K HN 0.010 nan 8.250 nan 0.000 0.475 430 V N 6.913 126.767 119.914 -0.100 0.000 2.403 430 V HA -0.030 4.090 4.120 0.000 0.000 0.265 430 V C 1.019 177.067 176.094 -0.076 0.000 1.034 430 V CA 0.017 62.228 62.300 -0.149 0.000 1.036 430 V CB 0.416 32.073 31.823 -0.277 0.000 1.032 430 V HN 0.783 nan 8.190 nan 0.000 0.478 431 V N 1.992 121.864 119.914 -0.070 0.000 3.660 431 V HA 0.681 4.801 4.120 0.000 0.000 0.276 431 V C 0.761 176.855 176.094 -0.001 0.000 1.317 431 V CA 0.650 62.947 62.300 -0.006 0.000 1.097 431 V CB 0.127 31.972 31.823 0.037 0.000 0.863 431 V HN 0.823 nan 8.190 nan 0.000 0.438 432 G N 0.064 108.827 108.800 -0.063 0.000 2.733 432 G HA2 0.664 4.624 3.960 0.000 0.000 0.297 432 G HA3 0.664 4.624 3.960 0.000 0.000 0.297 432 G C -1.649 173.058 174.900 -0.322 0.000 1.452 432 G CA -0.624 44.385 45.100 -0.152 0.000 0.940 432 G HN 0.158 nan 8.290 nan 0.000 0.547 433 I N 2.193 122.449 120.570 -0.523 0.000 2.498 433 I HA 0.470 4.640 4.170 0.000 0.000 0.290 433 I C -0.947 174.759 176.117 -0.685 0.000 1.032 433 I CA -0.925 60.100 61.300 -0.458 0.000 1.073 433 I CB 2.432 40.303 38.000 -0.215 0.000 1.251 433 I HN 0.428 nan 8.210 nan 0.000 0.426 434 H N 7.753 126.819 119.070 -0.006 0.000 2.759 434 H HA 0.702 5.258 4.556 0.000 0.000 0.354 434 H C -0.928 174.406 175.328 0.010 0.000 1.074 434 H CA -0.737 55.321 56.048 0.017 0.000 1.226 434 H CB 2.297 32.076 29.762 0.028 0.000 1.648 434 H HN 0.573 nan 8.280 nan 0.000 0.529 435 M N 0.993 120.659 119.600 0.111 0.000 2.603 435 M HA 0.478 4.958 4.480 0.000 0.000 0.275 435 M C -1.776 174.544 176.300 0.033 0.000 1.226 435 M CA -0.908 54.427 55.300 0.058 0.000 0.870 435 M CB 3.605 36.225 32.600 0.034 0.000 1.716 435 M HN 0.461 nan 8.290 nan 0.000 0.482 436 Q N 0.771 120.574 119.800 0.005 0.000 2.315 436 Q HA 0.808 5.148 4.340 0.000 0.000 0.273 436 Q C -1.300 174.684 176.000 -0.026 0.000 1.053 436 Q CA -0.218 55.575 55.803 -0.017 0.000 0.817 436 Q CB 2.872 31.591 28.738 -0.033 0.000 1.326 436 Q HN 1.243 nan 8.270 nan 0.000 0.423 437 G N 1.831 110.630 108.800 -0.000 0.000 2.339 437 G HA2 0.157 4.117 3.960 0.000 0.000 0.302 437 G HA3 0.157 4.117 3.960 0.000 0.000 0.302 437 G C -1.594 173.347 174.900 0.067 0.000 1.425 437 G CA -1.093 44.011 45.100 0.006 0.000 0.899 437 G HN 0.608 nan 8.290 nan 0.000 0.619 438 L N 1.149 122.427 121.223 0.091 0.000 2.540 438 L HA 0.330 4.670 4.340 0.000 0.000 0.276 438 L C 1.797 178.742 176.870 0.125 0.000 1.212 438 L CA 1.807 56.718 54.840 0.118 0.000 0.893 438 L CB 0.552 42.665 42.059 0.090 0.000 1.138 438 L HN 2.001 nan 8.230 nan 0.000 0.491 439 G N 1.576 110.466 108.800 0.150 0.000 2.225 439 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 439 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 439 G C 0.873 175.852 174.900 0.131 0.000 0.988 439 G CA 0.205 45.391 45.100 0.142 0.000 0.625 439 G HN 0.709 nan 8.290 nan 0.000 0.527 440 C N 2.122 121.488 119.300 0.110 0.000 2.419 440 C HA 0.041 4.501 4.460 0.000 0.000 0.283 440 C C 2.690 177.701 174.990 0.035 0.000 1.373 440 C CA 1.403 60.467 59.018 0.078 0.000 1.781 440 C CB -0.784 26.983 27.740 0.044 0.000 1.886 440 C HN 0.775 nan 8.230 nan 0.000 0.520 441 D N 0.925 121.335 120.400 0.018 0.000 2.144 441 D HA -0.146 4.494 4.640 0.000 0.000 0.199 441 D C 1.523 177.849 176.300 0.043 0.000 0.984 441 D CA 1.303 55.274 54.000 -0.048 0.000 0.834 441 D CB -0.555 40.232 40.800 -0.022 0.000 0.955 441 D HN 0.446 nan 8.370 nan 0.000 0.465 442 E N -0.610 119.643 120.200 0.090 0.000 2.472 442 E HA 0.122 4.472 4.350 0.000 0.000 0.196 442 E C 1.833 178.479 176.600 0.076 0.000 1.033 442 E CA -0.155 56.295 56.400 0.084 0.000 0.886 442 E CB 0.301 30.055 29.700 0.090 0.000 0.944 442 E HN 0.383 nan 8.360 nan 0.000 0.492 443 M N 0.268 119.933 119.600 0.108 0.000 2.394 443 M HA -0.017 4.463 4.480 0.000 0.000 0.266 443 M C 1.974 178.402 176.300 0.213 0.000 1.098 443 M CA 0.457 55.855 55.300 0.163 0.000 1.149 443 M CB 0.198 32.937 32.600 0.231 0.000 1.369 443 M HN 0.103 nan 8.290 nan 0.000 0.450 444 L N 0.868 122.197 121.223 0.177 0.000 2.017 444 L HA -0.227 4.113 4.340 0.000 0.000 0.208 444 L C 2.295 179.249 176.870 0.140 0.000 1.073 444 L CA 2.002 56.960 54.840 0.196 0.000 0.745 444 L CB -0.772 41.352 42.059 0.107 0.000 0.894 444 L HN 0.342 nan 8.230 nan 0.000 0.432 445 Q N -0.302 119.535 119.800 0.061 0.000 2.082 445 Q HA -0.213 4.127 4.340 0.000 0.000 0.211 445 Q C 2.085 178.075 176.000 -0.016 0.000 1.002 445 Q CA 2.566 58.382 55.803 0.021 0.000 0.868 445 Q CB -1.049 27.692 28.738 0.005 0.000 0.931 445 Q HN 0.574 nan 8.270 nan 0.000 0.414 446 G N -1.451 107.287 108.800 -0.103 0.000 2.408 446 G HA2 -0.211 3.750 3.960 0.000 0.000 0.217 446 G HA3 -0.211 3.750 3.960 0.000 0.000 0.217 446 G C 0.999 175.781 174.900 -0.197 0.000 1.150 446 G CA 0.712 45.689 45.100 -0.205 0.000 0.776 446 G HN 0.394 nan 8.290 nan 0.000 0.542 447 F N 1.749 121.688 119.950 -0.019 0.000 2.269 447 F HA 0.103 4.631 4.527 0.000 0.000 0.301 447 F C 2.933 178.767 175.800 0.056 0.000 1.082 447 F CA 0.657 58.666 58.000 0.015 0.000 1.360 447 F CB -0.310 38.751 39.000 0.101 0.000 1.041 447 F HN 0.233 nan 8.300 nan 0.000 0.512 448 A N -0.162 122.768 122.820 0.185 0.000 1.969 448 A HA -0.082 4.238 4.320 0.000 0.000 0.218 448 A C 2.349 179.976 177.584 0.071 0.000 1.169 448 A CA 1.596 53.701 52.037 0.113 0.000 0.635 448 A CB -1.103 17.940 19.000 0.071 0.000 0.810 448 A HN 0.180 nan 8.150 nan 0.000 0.445 449 V N -0.176 119.759 119.914 0.034 0.000 2.295 449 V HA -0.238 3.882 4.120 0.000 0.000 0.246 449 V C 3.047 179.157 176.094 0.026 0.000 1.049 449 V CA 1.928 64.232 62.300 0.007 0.000 1.024 449 V CB -1.211 30.593 31.823 -0.033 0.000 0.648 449 V HN 0.597 nan 8.190 nan 0.000 0.447 450 A N -0.362 122.482 122.820 0.039 0.000 1.902 450 A HA -0.141 4.179 4.320 0.000 0.000 0.217 450 A C 2.378 180.060 177.584 0.163 0.000 1.181 450 A CA 1.957 54.036 52.037 0.071 0.000 0.623 450 A CB -0.625 18.379 19.000 0.008 0.000 0.818 450 A HN 0.331 nan 8.150 nan 0.000 0.443 451 V N 0.081 120.112 119.914 0.194 0.000 2.427 451 V HA -0.210 3.910 4.120 0.000 0.000 0.248 451 V C 2.542 178.692 176.094 0.092 0.000 1.051 451 V CA 2.351 64.748 62.300 0.160 0.000 1.048 451 V CB -0.543 31.362 31.823 0.137 0.000 0.666 451 V HN 0.638 nan 8.190 nan 0.000 0.456 452 K N 0.203 120.645 120.400 0.069 0.000 2.147 452 K HA -0.082 4.239 4.320 0.000 0.000 0.205 452 K C 1.894 178.517 176.600 0.038 0.000 1.049 452 K CA 1.690 58.002 56.287 0.042 0.000 0.936 452 K CB -0.292 32.222 32.500 0.023 0.000 0.722 452 K HN 0.393 nan 8.250 nan 0.000 0.446 453 M N -0.887 118.739 119.600 0.044 0.000 2.619 453 M HA 0.120 4.600 4.480 0.000 0.000 0.251 453 M C 0.540 176.869 176.300 0.047 0.000 1.106 453 M CA 0.841 56.163 55.300 0.036 0.000 1.086 453 M CB 0.386 33.003 32.600 0.029 0.000 1.465 453 M HN 0.411 nan 8.290 nan 0.000 0.506 454 G N 1.370 110.207 108.800 0.063 0.000 2.204 454 G HA2 -0.130 3.830 3.960 0.000 0.000 0.244 454 G HA3 -0.130 3.830 3.960 0.000 0.000 0.244 454 G C 0.047 174.994 174.900 0.078 0.000 1.062 454 G CA -0.055 45.081 45.100 0.061 0.000 0.798 454 G HN 0.679 nan 8.290 nan 0.000 0.496 455 A N -0.114 122.783 122.820 0.129 0.000 2.425 455 A HA 0.796 5.116 4.320 0.000 0.000 0.242 455 A C 1.099 178.762 177.584 0.132 0.000 1.077 455 A CA 1.227 53.373 52.037 0.182 0.000 0.781 455 A CB 0.361 19.588 19.000 0.377 0.000 1.020 455 A HN 1.962 nan 8.150 nan 0.000 0.494 456 T N -1.398 113.228 114.554 0.119 0.000 2.919 456 T HA 0.471 4.821 4.350 0.000 0.000 0.282 456 T C 0.849 175.572 174.700 0.039 0.000 1.020 456 T CA -0.151 61.972 62.100 0.038 0.000 0.994 456 T CB 1.205 70.089 68.868 0.026 0.000 1.180 456 T HN 0.587 nan 8.240 nan 0.000 0.566 457 K N 0.340 120.706 120.400 -0.057 0.000 2.148 457 K HA 0.112 4.432 4.320 0.000 0.000 0.204 457 K C 2.292 178.899 176.600 0.011 0.000 1.050 457 K CA 1.538 57.755 56.287 -0.117 0.000 0.942 457 K CB -0.990 31.395 32.500 -0.193 0.000 0.724 457 K HN 0.679 nan 8.250 nan 0.000 0.446 458 A N 1.141 123.978 122.820 0.027 0.000 1.933 458 A HA -0.190 4.130 4.320 0.000 0.000 0.218 458 A C 1.668 179.303 177.584 0.086 0.000 1.175 458 A CA 1.955 54.017 52.037 0.041 0.000 0.628 458 A CB -0.605 18.410 19.000 0.026 0.000 0.814 458 A HN 0.443 nan 8.150 nan 0.000 0.444 459 D N -0.856 119.626 120.400 0.136 0.000 2.117 459 D HA -0.123 4.517 4.640 0.000 0.000 0.197 459 D C 1.624 178.024 176.300 0.166 0.000 0.987 459 D CA 1.136 55.219 54.000 0.139 0.000 0.829 459 D CB -0.364 40.532 40.800 0.159 0.000 0.961 459 D HN 0.439 nan 8.370 nan 0.000 0.460 460 F N 1.833 121.788 119.950 0.008 0.000 2.075 460 F HA -0.138 4.389 4.527 0.000 0.000 0.297 460 F C 2.229 178.029 175.800 0.001 0.000 1.113 460 F CA 1.022 59.037 58.000 0.026 0.000 1.218 460 F CB -0.555 38.445 39.000 0.000 0.000 0.984 460 F HN -0.141 nan 8.300 nan 0.000 0.472 461 D N -0.461 120.046 120.400 0.178 0.000 2.218 461 D HA -0.140 4.500 4.640 0.000 0.000 0.204 461 D C 1.532 177.857 176.300 0.042 0.000 0.976 461 D CA 0.903 54.944 54.000 0.069 0.000 0.853 461 D CB -0.445 40.361 40.800 0.010 0.000 0.939 461 D HN 0.219 nan 8.370 nan 0.000 0.481 462 N N -0.139 118.587 118.700 0.044 0.000 2.398 462 N HA -0.006 4.734 4.740 0.000 0.000 0.188 462 N C -0.360 175.153 175.510 0.005 0.000 1.122 462 N CA 0.280 53.342 53.050 0.019 0.000 0.866 462 N CB 0.504 39.001 38.487 0.018 0.000 0.970 462 N HN 0.021 nan 8.380 nan 0.000 0.462 463 T N 0.811 115.368 114.554 0.004 0.000 2.744 463 T HA 0.279 4.629 4.350 0.000 0.000 0.291 463 T C 0.506 175.203 174.700 -0.004 0.000 0.957 463 T CA -0.430 61.658 62.100 -0.019 0.000 1.002 463 T CB 2.143 70.977 68.868 -0.058 0.000 0.919 463 T HN -0.256 nan 8.240 nan 0.000 0.468 464 V N 3.381 123.289 119.914 -0.010 0.000 2.673 464 V HA 0.338 4.458 4.120 0.000 0.000 0.303 464 V C 0.979 177.076 176.094 0.006 0.000 1.046 464 V CA -0.440 61.858 62.300 -0.003 0.000 1.126 464 V CB 0.368 32.187 31.823 -0.007 0.000 0.934 464 V HN 1.089 nan 8.190 nan 0.000 0.487 465 A N 6.048 128.877 122.820 0.016 0.000 2.313 465 A HA 0.660 4.980 4.320 0.000 0.000 0.261 465 A C -0.267 177.346 177.584 0.049 0.000 1.090 465 A CA -0.378 51.682 52.037 0.038 0.000 0.807 465 A CB 0.160 19.182 19.000 0.037 0.000 1.055 465 A HN 0.744 nan 8.150 nan 0.000 0.492 466 I N 0.988 121.600 120.570 0.071 0.000 2.355 466 I HA 0.279 4.449 4.170 0.000 0.000 0.288 466 I C -0.418 175.777 176.117 0.129 0.000 0.999 466 I CA -0.123 61.223 61.300 0.077 0.000 1.163 466 I CB 1.185 39.212 38.000 0.046 0.000 1.316 466 I HN 0.760 nan 8.210 nan 0.000 0.454 467 H N 7.451 126.528 119.070 0.011 0.000 2.495 467 H HA 0.638 5.194 4.556 0.000 0.000 0.348 467 H C -2.513 172.824 175.328 0.015 0.000 1.113 467 H CA -1.868 54.187 56.048 0.011 0.000 1.195 467 H CB 1.694 31.458 29.762 0.003 0.000 1.521 467 H HN 0.302 nan 8.280 nan 0.000 0.509 468 P HA 0.328 nan 4.420 nan 0.000 0.301 468 P C -1.225 175.983 177.300 -0.154 0.000 1.348 468 P CA -0.643 62.068 63.100 -0.649 0.000 0.826 468 P CB 1.560 32.843 31.700 -0.694 0.000 0.945 469 T N -2.116 112.433 114.554 -0.007 0.000 2.778 469 T HA 0.399 4.749 4.350 0.000 0.000 0.293 469 T C 0.735 175.505 174.700 0.117 0.000 1.144 469 T CA -0.469 61.668 62.100 0.061 0.000 1.010 469 T CB 1.145 70.058 68.868 0.076 0.000 1.325 469 T HN -0.038 nan 8.240 nan 0.000 0.515 470 S N 0.409 116.218 115.700 0.182 0.000 2.406 470 S HA -0.007 4.463 4.470 0.000 0.000 0.224 470 S C 2.329 177.080 174.600 0.253 0.000 1.030 470 S CA 1.094 59.471 58.200 0.295 0.000 0.958 470 S CB -0.539 62.882 63.200 0.368 0.000 0.811 470 S HN 0.921 nan 8.310 nan 0.000 0.489 471 S N 2.743 118.577 115.700 0.223 0.000 2.400 471 S HA -0.233 4.237 4.470 0.000 0.000 0.232 471 S C 1.717 176.465 174.600 0.247 0.000 1.025 471 S CA 1.413 59.776 58.200 0.271 0.000 0.993 471 S CB -0.736 62.634 63.200 0.283 0.000 0.808 471 S HN 0.802 nan 8.310 nan 0.000 0.478 472 E N 1.214 121.514 120.200 0.167 0.000 2.265 472 E HA -0.191 4.159 4.350 0.000 0.000 0.196 472 E C 1.571 178.220 176.600 0.083 0.000 0.996 472 E CA 1.130 57.606 56.400 0.127 0.000 0.832 472 E CB -0.327 29.438 29.700 0.108 0.000 0.756 472 E HN 0.452 nan 8.360 nan 0.000 0.491 473 E N 1.129 121.361 120.200 0.053 0.000 2.153 473 E HA -0.097 4.253 4.350 0.000 0.000 0.194 473 E C 2.159 178.780 176.600 0.035 0.000 0.988 473 E CA 0.633 57.032 56.400 -0.002 0.000 0.811 473 E CB -0.180 29.513 29.700 -0.012 0.000 0.746 473 E HN 0.442 nan 8.360 nan 0.000 0.466 474 L N 0.776 122.028 121.223 0.048 0.000 2.275 474 L HA -0.084 4.256 4.340 0.000 0.000 0.215 474 L C 2.051 178.989 176.870 0.114 0.000 1.119 474 L CA 0.723 55.554 54.840 -0.015 0.000 0.790 474 L CB -0.018 41.843 42.059 -0.330 0.000 0.919 474 L HN 0.050 nan 8.230 nan 0.000 0.443 475 V N -5.134 114.866 119.914 0.143 0.000 3.578 475 V HA 0.118 4.238 4.120 0.000 0.000 0.290 475 V C 1.244 177.378 176.094 0.067 0.000 1.376 475 V CA 0.654 63.055 62.300 0.168 0.000 1.083 475 V CB -0.107 31.812 31.823 0.159 0.000 0.911 475 V HN 0.409 nan 8.190 nan 0.000 0.433 476 T N -1.803 112.764 114.554 0.021 0.000 3.339 476 T HA 0.476 4.826 4.350 0.000 0.000 0.292 476 T C 0.079 174.754 174.700 -0.042 0.000 1.012 476 T CA -0.284 61.805 62.100 -0.017 0.000 0.937 476 T CB -0.398 68.456 68.868 -0.024 0.000 1.164 476 T HN 0.310 nan 8.240 nan 0.000 0.509 477 L N 1.780 122.961 121.223 -0.071 0.000 2.416 477 L HA 0.510 4.850 4.340 0.000 0.000 0.272 477 L C 0.824 177.614 176.870 -0.134 0.000 1.161 477 L CA -0.224 54.563 54.840 -0.088 0.000 0.845 477 L CB 0.541 42.518 42.059 -0.137 0.000 1.119 477 L HN 0.221 nan 8.230 nan 0.000 0.464 478 R N 0.000 120.497 120.500 -0.005 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.130 56.100 0.050 0.000 0.921 478 R CB 0.000 30.315 30.300 0.026 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535