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 3grs_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 0.000 176.041 176.094 -0.089 0.000 1.182 18 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 18 V CB 0.000 31.793 31.823 -0.049 0.000 1.184 19 A N 2.701 125.446 122.820 -0.125 0.000 2.366 19 A HA 0.796 5.116 4.320 0.000 0.000 0.272 19 A C 0.370 177.960 177.584 0.011 0.000 1.135 19 A CA 0.186 52.187 52.037 -0.060 0.000 0.804 19 A CB 1.099 20.109 19.000 0.016 0.000 1.064 19 A HN 1.078 nan 8.150 nan 0.000 0.499 20 S N 1.551 117.183 115.700 -0.113 0.000 2.472 20 S HA 0.754 5.224 4.470 0.000 0.000 0.303 20 S C -1.085 173.365 174.600 -0.249 0.000 1.099 20 S CA -0.348 57.822 58.200 -0.051 0.000 1.077 20 S CB 0.261 63.452 63.200 -0.015 0.000 1.031 20 S HN 0.507 nan 8.310 nan 0.000 0.487 21 Y N 1.183 121.561 120.300 0.130 0.000 2.662 21 Y HA 0.421 4.971 4.550 0.000 0.000 0.335 21 Y C 1.155 177.157 175.900 0.170 0.000 1.066 21 Y CA -0.854 57.325 58.100 0.133 0.000 1.116 21 Y CB 1.067 39.605 38.460 0.129 0.000 1.308 21 Y HN 0.560 nan 8.280 nan 0.000 0.502 22 D N -0.420 120.198 120.400 0.364 0.000 2.213 22 D HA -0.082 4.558 4.640 0.000 0.000 0.205 22 D C -0.760 175.884 176.300 0.574 0.000 0.961 22 D CA 1.687 55.912 54.000 0.376 0.000 0.853 22 D CB 0.448 41.385 40.800 0.229 0.000 0.967 22 D HN 0.243 nan 8.370 nan 0.000 0.496 23 Y N 0.366 120.839 120.300 0.288 0.000 2.401 23 Y HA 0.401 4.951 4.550 0.000 0.000 0.330 23 Y C -1.582 174.402 175.900 0.139 0.000 1.071 23 Y CA -0.983 57.288 58.100 0.285 0.000 1.049 23 Y CB 0.941 39.492 38.460 0.151 0.000 1.239 23 Y HN -0.284 nan 8.280 nan 0.000 0.437 24 L N 6.314 127.554 121.223 0.029 0.000 2.333 24 L HA 0.694 5.034 4.340 0.000 0.000 0.280 24 L C -1.074 175.585 176.870 -0.351 0.000 1.004 24 L CA -1.120 53.612 54.840 -0.180 0.000 0.820 24 L CB 1.770 43.793 42.059 -0.060 0.000 1.247 24 L HN 0.397 nan 8.230 nan 0.000 0.416 25 V N 5.396 125.073 119.914 -0.395 0.000 2.378 25 V HA 0.393 4.513 4.120 0.000 0.000 0.288 25 V C 0.108 176.054 176.094 -0.247 0.000 1.016 25 V CA -0.389 61.693 62.300 -0.362 0.000 0.840 25 V CB 1.868 33.459 31.823 -0.386 0.000 0.994 25 V HN 0.498 nan 8.190 nan 0.000 0.431 26 I N 4.903 125.362 120.570 -0.184 0.000 2.291 26 I HA 0.695 4.866 4.170 0.000 0.000 0.290 26 I C 0.745 176.787 176.117 -0.124 0.000 1.050 26 I CA 0.003 61.197 61.300 -0.177 0.000 1.245 26 I CB 0.966 38.855 38.000 -0.186 0.000 1.405 26 I HN 0.844 nan 8.210 nan 0.000 0.478 27 G N 3.627 112.351 108.800 -0.126 0.000 3.326 27 G HA2 0.052 4.012 3.960 0.000 0.000 0.681 27 G HA3 0.052 4.012 3.960 0.000 0.000 0.681 27 G C -0.143 174.703 174.900 -0.091 0.000 1.255 27 G CA -0.573 44.476 45.100 -0.084 0.000 0.976 27 G HN 0.930 nan 8.290 nan 0.000 0.563 28 G N 0.685 109.434 108.800 -0.086 0.000 4.294 28 G HA2 0.688 4.648 3.960 0.000 0.000 0.301 28 G HA3 0.688 4.648 3.960 0.000 0.000 0.301 28 G C 0.771 175.599 174.900 -0.120 0.000 1.321 28 G CA 0.867 45.907 45.100 -0.101 0.000 1.190 28 G HN 1.246 nan 8.290 nan 0.000 0.600 29 G N 0.017 108.755 108.800 -0.103 0.000 2.736 29 G HA2 0.404 4.364 3.960 0.000 0.000 0.229 29 G HA3 0.404 4.364 3.960 0.000 0.000 0.229 29 G C 1.220 176.044 174.900 -0.127 0.000 1.380 29 G CA 0.359 45.385 45.100 -0.124 0.000 1.040 29 G HN 0.168 nan 8.290 nan 0.000 0.568 30 S N -0.204 115.434 115.700 -0.104 0.000 2.369 30 S HA -0.158 4.312 4.470 0.000 0.000 0.225 30 S C 2.416 176.994 174.600 -0.037 0.000 1.043 30 S CA 1.931 60.086 58.200 -0.076 0.000 1.074 30 S CB -0.750 62.427 63.200 -0.039 0.000 0.962 30 S HN 0.787 nan 8.310 nan 0.000 0.433 31 G N 0.682 109.474 108.800 -0.013 0.000 2.408 31 G HA2 0.114 4.074 3.960 0.000 0.000 0.215 31 G HA3 0.114 4.074 3.960 0.000 0.000 0.215 31 G C 1.419 176.325 174.900 0.009 0.000 1.156 31 G CA 0.775 45.883 45.100 0.013 0.000 0.793 31 G HN 0.564 nan 8.290 nan 0.000 0.535 32 G N 1.178 109.967 108.800 -0.018 0.000 2.433 32 G HA2 -0.161 3.799 3.960 0.000 0.000 0.216 32 G HA3 -0.161 3.799 3.960 0.000 0.000 0.216 32 G C 1.806 176.680 174.900 -0.043 0.000 1.186 32 G CA 0.815 45.889 45.100 -0.043 0.000 0.779 32 G HN 0.394 nan 8.290 nan 0.000 0.543 33 L N 0.750 121.941 121.223 -0.053 0.000 2.017 33 L HA -0.093 4.247 4.340 0.000 0.000 0.208 33 L C 3.453 180.328 176.870 0.008 0.000 1.073 33 L CA 1.156 55.975 54.840 -0.035 0.000 0.745 33 L CB -0.600 41.422 42.059 -0.061 0.000 0.894 33 L HN 0.312 nan 8.230 nan 0.000 0.432 34 A N -0.834 121.995 122.820 0.016 0.000 1.908 34 A HA -0.250 4.070 4.320 0.000 0.000 0.218 34 A C 2.561 180.176 177.584 0.052 0.000 1.181 34 A CA 2.265 54.324 52.037 0.038 0.000 0.627 34 A CB -0.735 18.287 19.000 0.036 0.000 0.818 34 A HN 0.361 nan 8.150 nan 0.000 0.445 35 S N -0.805 114.939 115.700 0.073 0.000 2.355 35 S HA 0.001 4.471 4.470 0.000 0.000 0.222 35 S C 2.235 176.953 174.600 0.196 0.000 1.031 35 S CA 1.442 59.729 58.200 0.145 0.000 0.993 35 S CB -0.471 62.852 63.200 0.205 0.000 0.859 35 S HN 0.802 nan 8.310 nan 0.000 0.453 36 A N 1.713 124.611 122.820 0.130 0.000 1.877 36 A HA -0.112 4.208 4.320 0.000 0.000 0.216 36 A C 2.177 179.791 177.584 0.049 0.000 1.186 36 A CA 1.538 53.639 52.037 0.107 0.000 0.620 36 A CB -0.606 18.388 19.000 -0.010 0.000 0.822 36 A HN 0.589 nan 8.150 nan 0.000 0.443 37 R N -1.257 119.257 120.500 0.024 0.000 2.081 37 R HA -0.140 4.200 4.340 0.000 0.000 0.235 37 R C 2.470 178.755 176.300 -0.024 0.000 1.131 37 R CA 1.685 57.785 56.100 -0.000 0.000 0.960 37 R CB -0.268 30.039 30.300 0.012 0.000 0.856 37 R HN 0.454 nan 8.270 nan 0.000 0.436 38 R N 0.973 121.458 120.500 -0.025 0.000 2.090 38 R HA 0.002 4.342 4.340 0.000 0.000 0.228 38 R C 2.020 178.224 176.300 -0.161 0.000 1.110 38 R CA 1.592 57.639 56.100 -0.087 0.000 0.973 38 R CB -0.543 29.702 30.300 -0.091 0.000 0.869 38 R HN 0.225 nan 8.270 nan 0.000 0.440 39 A N 0.453 123.184 122.820 -0.148 0.000 1.883 39 A HA -0.097 4.223 4.320 0.000 0.000 0.217 39 A C 2.391 179.769 177.584 -0.342 0.000 1.186 39 A CA 1.929 53.760 52.037 -0.343 0.000 0.624 39 A CB -1.192 17.540 19.000 -0.447 0.000 0.822 39 A HN 0.482 nan 8.150 nan 0.000 0.444 40 A N -0.079 122.633 122.820 -0.180 0.000 1.933 40 A HA -0.191 4.129 4.320 0.000 0.000 0.218 40 A C 1.850 179.380 177.584 -0.090 0.000 1.175 40 A CA 1.672 53.638 52.037 -0.117 0.000 0.628 40 A CB -0.613 18.363 19.000 -0.039 0.000 0.814 40 A HN 0.669 nan 8.150 nan 0.000 0.444 41 E N -0.194 119.957 120.200 -0.082 0.000 2.209 41 E HA -0.128 4.222 4.350 0.000 0.000 0.196 41 E C 1.381 177.942 176.600 -0.065 0.000 0.993 41 E CA 0.965 57.334 56.400 -0.053 0.000 0.819 41 E CB -0.272 29.403 29.700 -0.043 0.000 0.745 41 E HN 0.633 nan 8.360 nan 0.000 0.477 42 L N -0.553 120.598 121.223 -0.120 0.000 2.591 42 L HA 0.156 4.496 4.340 0.000 0.000 0.228 42 L C 1.366 178.184 176.870 -0.087 0.000 1.133 42 L CA 0.367 55.147 54.840 -0.100 0.000 0.880 42 L CB 0.195 42.174 42.059 -0.132 0.000 1.033 42 L HN 0.332 nan 8.230 nan 0.000 0.450 43 G N -0.317 108.419 108.800 -0.107 0.000 2.179 43 G HA2 -0.230 3.731 3.960 0.000 0.000 0.220 43 G HA3 -0.230 3.731 3.960 0.000 0.000 0.220 43 G C 0.418 175.241 174.900 -0.128 0.000 0.990 43 G CA -0.136 44.919 45.100 -0.074 0.000 0.646 43 G HN 0.439 nan 8.290 nan 0.000 0.517 44 A N -0.017 122.617 122.820 -0.310 0.000 2.462 44 A HA 0.673 4.993 4.320 0.000 0.000 0.243 44 A C 0.684 178.170 177.584 -0.162 0.000 1.076 44 A CA 0.679 52.469 52.037 -0.410 0.000 0.773 44 A CB 0.320 18.651 19.000 -1.115 0.000 1.010 44 A HN 0.994 nan 8.150 nan 0.000 0.493 45 R N 1.730 122.210 120.500 -0.033 0.000 2.205 45 R HA 0.554 4.894 4.340 0.000 0.000 0.342 45 R C -0.288 176.137 176.300 0.208 0.000 1.058 45 R CA 0.717 56.877 56.100 0.101 0.000 0.904 45 R CB -0.082 30.294 30.300 0.127 0.000 1.089 45 R HN 0.875 nan 8.270 nan 0.000 0.471 46 A N 2.739 125.646 122.820 0.145 0.000 2.354 46 A HA 0.905 5.225 4.320 0.000 0.000 0.321 46 A C -1.151 176.369 177.584 -0.107 0.000 1.125 46 A CA -0.369 51.715 52.037 0.077 0.000 0.799 46 A CB 1.731 20.769 19.000 0.063 0.000 1.293 46 A HN 0.833 nan 8.150 nan 0.000 0.452 47 A N 0.404 123.006 122.820 -0.363 0.000 2.449 47 A HA 0.690 5.010 4.320 0.000 0.000 0.302 47 A C -1.253 176.100 177.584 -0.385 0.000 1.048 47 A CA -0.440 51.281 52.037 -0.526 0.000 0.708 47 A CB 1.504 19.835 19.000 -1.116 0.000 1.274 47 A HN 1.197 nan 8.150 nan 0.000 0.410 48 V N 2.247 121.981 119.914 -0.300 0.000 2.417 48 V HA 0.426 4.546 4.120 0.000 0.000 0.291 48 V C -0.305 175.631 176.094 -0.264 0.000 1.024 48 V CA -0.504 61.646 62.300 -0.250 0.000 0.861 48 V CB 1.641 33.362 31.823 -0.169 0.000 0.985 48 V HN 0.676 nan 8.190 nan 0.000 0.436 49 V N 4.249 124.000 119.914 -0.271 0.000 2.407 49 V HA 0.574 4.694 4.120 0.000 0.000 0.278 49 V C -0.196 175.787 176.094 -0.186 0.000 1.037 49 V CA -0.393 61.749 62.300 -0.262 0.000 0.900 49 V CB 1.435 33.077 31.823 -0.303 0.000 0.983 49 V HN 0.963 nan 8.190 nan 0.000 0.459 50 E N 2.978 123.087 120.200 -0.152 0.000 2.263 50 E HA 0.411 4.761 4.350 0.000 0.000 0.268 50 E C 0.445 176.983 176.600 -0.103 0.000 0.884 50 E CA -0.075 56.264 56.400 -0.102 0.000 0.766 50 E CB 2.113 31.765 29.700 -0.080 0.000 1.196 50 E HN 0.564 nan 8.360 nan 0.000 0.416 51 S N 3.664 119.315 115.700 -0.082 0.000 2.503 51 S HA 0.139 4.609 4.470 0.000 0.000 0.217 51 S C 0.802 175.111 174.600 -0.484 0.000 0.999 51 S CA 0.302 58.378 58.200 -0.208 0.000 0.914 51 S CB -0.190 62.931 63.200 -0.131 0.000 0.782 51 S HN 0.602 nan 8.310 nan 0.000 0.520 52 H N 1.227 120.288 119.070 -0.014 0.000 5.104 52 H HA 0.500 5.056 4.556 0.000 0.000 0.167 52 H C -0.378 174.935 175.328 -0.024 0.000 1.341 52 H CA -0.613 55.428 56.048 -0.011 0.000 0.513 52 H CB 0.078 29.838 29.762 -0.002 0.000 1.576 52 H HN 0.132 nan 8.280 nan 0.000 0.320 53 K N 1.503 121.983 120.400 0.134 0.000 2.164 53 K HA 0.395 4.715 4.320 0.000 0.000 0.258 53 K C -0.337 176.258 176.600 -0.008 0.000 0.951 53 K CA -0.469 55.841 56.287 0.039 0.000 0.844 53 K CB 2.028 34.546 32.500 0.029 0.000 1.099 53 K HN 0.153 nan 8.250 nan 0.000 0.435 54 L N 0.675 121.880 121.223 -0.030 0.000 2.467 54 L HA 0.073 4.413 4.340 0.000 0.000 0.270 54 L C 1.451 178.225 176.870 -0.160 0.000 1.205 54 L CA 0.933 55.726 54.840 -0.078 0.000 0.828 54 L CB 0.173 42.207 42.059 -0.041 0.000 1.101 54 L HN 1.102 nan 8.230 nan 0.000 0.479 55 G N 0.442 109.055 108.800 -0.312 0.000 2.254 55 G HA2 -0.069 3.891 3.960 0.000 0.000 0.225 55 G HA3 -0.069 3.891 3.960 0.000 0.000 0.225 55 G C 0.687 175.421 174.900 -0.276 0.000 1.003 55 G CA -0.125 44.686 45.100 -0.481 0.000 0.622 55 G HN 1.459 nan 8.290 nan 0.000 0.507 56 G N -0.708 107.996 108.800 -0.161 0.000 2.575 56 G HA2 -0.107 3.853 3.960 0.000 0.000 0.267 56 G HA3 -0.107 3.853 3.960 0.000 0.000 0.267 56 G C 1.070 175.920 174.900 -0.082 0.000 1.264 56 G CA 1.549 46.591 45.100 -0.095 0.000 0.935 56 G HN 1.371 nan 8.290 nan 0.000 0.568 57 T N -0.375 114.147 114.554 -0.053 0.000 2.708 57 T HA -0.214 4.136 4.350 0.000 0.000 0.266 57 T C 2.461 177.131 174.700 -0.050 0.000 1.037 57 T CA 2.588 64.669 62.100 -0.033 0.000 1.146 57 T CB -0.738 68.134 68.868 0.006 0.000 0.865 57 T HN 1.038 nan 8.240 nan 0.000 0.435 58 c N 1.263 119.830 118.600 -0.054 0.000 2.413 58 c HA -0.075 4.496 4.570 0.000 0.000 0.276 58 c C 2.758 176.788 174.090 -0.100 0.000 1.236 58 c CA 0.790 57.086 56.329 -0.055 0.000 1.735 58 c CB -1.237 41.249 42.510 -0.041 0.000 2.031 58 c HN 0.389 nan 8.230 nan 0.000 0.474 59 V N 1.897 121.733 119.914 -0.130 0.000 2.323 59 V HA -0.139 3.981 4.120 0.000 0.000 0.244 59 V C 2.391 178.385 176.094 -0.166 0.000 1.041 59 V CA 2.332 64.546 62.300 -0.144 0.000 1.025 59 V CB -0.752 30.974 31.823 -0.160 0.000 0.656 59 V HN 0.577 nan 8.190 nan 0.000 0.451 60 N N 0.621 119.234 118.700 -0.145 0.000 2.173 60 N HA -0.048 4.692 4.740 0.000 0.000 0.184 60 N C 1.163 176.551 175.510 -0.204 0.000 1.025 60 N CA 1.956 54.924 53.050 -0.136 0.000 0.852 60 N CB 0.363 38.804 38.487 -0.077 0.000 0.998 60 N HN 0.555 nan 8.380 nan 0.000 0.427 61 V N -3.683 116.113 119.914 -0.197 0.000 3.047 61 V HA 0.681 4.801 4.120 0.000 0.000 0.374 61 V C 0.370 176.371 176.094 -0.155 0.000 1.399 61 V CA -0.183 61.980 62.300 -0.227 0.000 1.251 61 V CB 0.584 32.457 31.823 0.082 0.000 1.228 61 V HN 0.167 nan 8.190 nan 0.000 0.589 62 G N -0.320 108.356 108.800 -0.207 0.000 3.418 62 G HA2 0.231 4.191 3.960 0.000 0.000 0.179 62 G HA3 0.231 4.191 3.960 0.000 0.000 0.179 62 G C 0.883 175.762 174.900 -0.034 0.000 1.212 62 G CA 0.651 45.740 45.100 -0.019 0.000 0.935 62 G HN 0.235 nan 8.290 nan 0.000 0.716 63 c N 0.152 118.756 118.600 0.006 0.000 2.336 63 c HA -0.104 4.466 4.570 0.000 0.000 0.272 63 c C 2.894 176.957 174.090 -0.045 0.000 1.160 63 c CA 1.179 57.511 56.329 0.005 0.000 1.783 63 c CB -1.499 41.015 42.510 0.007 0.000 2.050 63 c HN 0.285 nan 8.230 nan 0.000 0.443 64 V N 2.731 122.603 119.914 -0.071 0.000 2.223 64 V HA -0.140 3.980 4.120 0.000 0.000 0.244 64 V C 0.175 176.244 176.094 -0.041 0.000 1.045 64 V CA 2.711 64.980 62.300 -0.051 0.000 1.000 64 V CB -2.059 29.704 31.823 -0.099 0.000 0.635 64 V HN 0.376 nan 8.190 nan 0.000 0.445 65 P HA -0.200 nan 4.420 nan 0.000 0.218 65 P C 1.606 178.955 177.300 0.082 0.000 1.148 65 P CA 1.511 64.510 63.100 -0.167 0.000 0.822 65 P CB -0.155 31.148 31.700 -0.662 0.000 0.784 66 K N 1.051 121.518 120.400 0.111 0.000 2.026 66 K HA -0.192 4.128 4.320 0.000 0.000 0.208 66 K C 2.082 178.785 176.600 0.172 0.000 1.048 66 K CA 1.773 58.255 56.287 0.325 0.000 0.929 66 K CB -0.504 32.155 32.500 0.265 0.000 0.713 66 K HN -0.123 nan 8.250 nan 0.000 0.439 67 K N 0.725 121.130 120.400 0.009 0.000 2.097 67 K HA -0.050 4.270 4.320 0.000 0.000 0.206 67 K C 2.003 178.662 176.600 0.099 0.000 1.049 67 K CA 1.179 57.417 56.287 -0.081 0.000 0.933 67 K CB -0.293 32.079 32.500 -0.214 0.000 0.717 67 K HN 0.010 nan 8.250 nan 0.000 0.442 68 V N 0.709 120.688 119.914 0.110 0.000 2.343 68 V HA -0.258 3.862 4.120 0.000 0.000 0.247 68 V C 2.289 178.449 176.094 0.110 0.000 1.051 68 V CA 1.668 64.029 62.300 0.102 0.000 1.036 68 V CB -0.456 31.427 31.823 0.101 0.000 0.654 68 V HN 0.337 nan 8.190 nan 0.000 0.451 69 M N -1.597 118.103 119.600 0.167 0.000 2.175 69 M HA -0.171 4.309 4.480 0.000 0.000 0.264 69 M C 1.969 178.379 176.300 0.184 0.000 1.063 69 M CA 1.474 56.867 55.300 0.155 0.000 1.119 69 M CB -1.324 31.451 32.600 0.292 0.000 1.377 69 M HN 0.620 nan 8.290 nan 0.000 0.415 70 W N 2.420 123.746 121.300 0.043 0.000 2.358 70 W HA -0.166 4.494 4.660 0.000 0.000 0.303 70 W C 1.931 178.478 176.519 0.047 0.000 1.208 70 W CA 1.477 58.850 57.345 0.046 0.000 1.274 70 W CB -0.327 29.111 29.460 -0.036 0.000 1.138 70 W HN 0.250 nan 8.180 nan 0.000 0.515 71 N N -0.383 118.403 118.700 0.144 0.000 2.223 71 N HA -0.150 4.590 4.740 0.000 0.000 0.185 71 N C 1.567 177.041 175.510 -0.060 0.000 1.016 71 N CA 2.200 55.249 53.050 -0.001 0.000 0.863 71 N CB -0.912 37.635 38.487 0.100 0.000 0.983 71 N HN 0.174 nan 8.380 nan 0.000 0.429 72 T N 0.866 115.390 114.554 -0.050 0.000 2.737 72 T HA -0.021 4.329 4.350 0.000 0.000 0.265 72 T C 2.011 176.598 174.700 -0.188 0.000 1.038 72 T CA 1.331 63.370 62.100 -0.101 0.000 1.144 72 T CB -0.330 68.465 68.868 -0.121 0.000 0.866 72 T HN 0.316 nan 8.240 nan 0.000 0.434 73 A N 1.038 123.729 122.820 -0.214 0.000 1.902 73 A HA -0.050 4.270 4.320 0.000 0.000 0.217 73 A C 2.578 179.945 177.584 -0.362 0.000 1.181 73 A CA 1.269 53.141 52.037 -0.276 0.000 0.623 73 A CB -1.089 17.823 19.000 -0.145 0.000 0.818 73 A HN 0.341 nan 8.150 nan 0.000 0.443 74 V N -0.431 119.219 119.914 -0.439 0.000 2.392 74 V HA -0.282 3.838 4.120 0.000 0.000 0.249 74 V C 2.456 178.290 176.094 -0.433 0.000 1.059 74 V CA 2.140 64.085 62.300 -0.592 0.000 1.051 74 V CB -0.985 30.367 31.823 -0.785 0.000 0.658 74 V HN 0.679 nan 8.190 nan 0.000 0.455 75 H N -0.730 118.176 119.070 -0.274 0.000 2.353 75 H HA -0.136 4.420 4.556 0.000 0.000 0.300 75 H C 2.673 177.866 175.328 -0.225 0.000 1.090 75 H CA 1.869 57.821 56.048 -0.159 0.000 1.327 75 H CB 0.003 29.682 29.762 -0.137 0.000 1.383 75 H HN 0.424 nan 8.280 nan 0.000 0.508 76 S N 0.135 115.727 115.700 -0.178 0.000 2.359 76 S HA -0.159 4.311 4.470 0.000 0.000 0.224 76 S C 1.989 176.255 174.600 -0.557 0.000 1.035 76 S CA 1.608 59.621 58.200 -0.312 0.000 1.018 76 S CB 0.018 63.021 63.200 -0.328 0.000 0.876 76 S HN 0.516 nan 8.310 nan 0.000 0.448 77 E N -0.270 119.618 120.200 -0.521 0.000 2.047 77 E HA -0.078 4.273 4.350 0.000 0.000 0.191 77 E C 1.833 178.253 176.600 -0.300 0.000 0.987 77 E CA 1.295 57.399 56.400 -0.493 0.000 0.799 77 E CB -0.284 29.098 29.700 -0.530 0.000 0.752 77 E HN 0.611 nan 8.360 nan 0.000 0.449 78 F N 0.975 120.793 119.950 -0.220 0.000 2.126 78 F HA -0.237 4.290 4.527 0.000 0.000 0.299 78 F C 2.661 178.405 175.800 -0.093 0.000 1.096 78 F CA 0.763 58.678 58.000 -0.142 0.000 1.255 78 F CB -0.194 38.639 39.000 -0.278 0.000 0.997 78 F HN 0.082 nan 8.300 nan 0.000 0.479 79 M N -0.039 119.534 119.600 -0.046 0.000 2.267 79 M HA -0.243 4.237 4.480 0.000 0.000 0.263 79 M C 1.904 178.243 176.300 0.065 0.000 1.063 79 M CA 1.754 57.016 55.300 -0.065 0.000 1.090 79 M CB -0.506 32.024 32.600 -0.116 0.000 1.392 79 M HN 0.169 nan 8.290 nan 0.000 0.422 80 H N 0.621 119.769 119.070 0.130 0.000 2.456 80 H HA -0.045 4.511 4.556 0.000 0.000 0.296 80 H C 0.914 176.369 175.328 0.213 0.000 1.079 80 H CA 1.402 57.535 56.048 0.141 0.000 1.322 80 H CB -0.466 29.354 29.762 0.096 0.000 1.388 80 H HN 0.553 nan 8.280 nan 0.000 0.538 81 D N -0.748 119.891 120.400 0.399 0.000 2.339 81 D HA -0.040 4.600 4.640 0.000 0.000 0.217 81 D C 1.759 178.329 176.300 0.450 0.000 1.050 81 D CA 0.118 54.377 54.000 0.432 0.000 0.856 81 D CB -0.155 40.996 40.800 0.585 0.000 0.922 81 D HN 0.355 nan 8.370 nan 0.000 0.518 82 H N 1.895 121.123 119.070 0.264 0.000 2.289 82 H HA -0.077 4.479 4.556 0.000 0.000 0.296 82 H C 2.024 177.550 175.328 0.331 0.000 1.091 82 H CA 2.110 58.309 56.048 0.250 0.000 1.274 82 H CB -0.040 29.803 29.762 0.136 0.000 1.364 82 H HN 0.118 nan 8.280 nan 0.000 0.490 83 A N 0.246 123.232 122.820 0.277 0.000 1.933 83 A HA -0.154 4.166 4.320 0.000 0.000 0.218 83 A C 2.049 179.694 177.584 0.102 0.000 1.175 83 A CA 1.757 53.892 52.037 0.163 0.000 0.628 83 A CB -0.335 18.751 19.000 0.142 0.000 0.814 83 A HN 0.463 nan 8.150 nan 0.000 0.444 84 D N -1.562 118.903 120.400 0.108 0.000 2.218 84 D HA -0.125 4.515 4.640 0.000 0.000 0.204 84 D C 0.801 177.027 176.300 -0.123 0.000 0.976 84 D CA 1.114 55.099 54.000 -0.024 0.000 0.853 84 D CB -0.230 40.529 40.800 -0.069 0.000 0.939 84 D HN 0.660 nan 8.370 nan 0.000 0.481 85 Y N -0.478 119.850 120.300 0.046 0.000 2.470 85 Y HA 0.264 4.814 4.550 0.000 0.000 0.284 85 Y C 1.677 177.543 175.900 -0.057 0.000 1.188 85 Y CA 0.265 58.392 58.100 0.044 0.000 1.269 85 Y CB 0.773 39.325 38.460 0.152 0.000 1.094 85 Y HN 0.040 nan 8.280 nan 0.000 0.518 86 G N -1.065 107.714 108.800 -0.036 0.000 2.179 86 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 86 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 86 G C -0.114 174.512 174.900 -0.457 0.000 0.990 86 G CA -0.430 44.510 45.100 -0.267 0.000 0.646 86 G HN 0.193 nan 8.290 nan 0.000 0.517 87 F N 0.820 120.660 119.950 -0.184 0.000 2.518 87 F HA 0.705 5.232 4.527 0.000 0.000 0.338 87 F C -1.952 173.792 175.800 -0.094 0.000 1.065 87 F CA -2.477 55.379 58.000 -0.240 0.000 1.012 87 F CB 1.280 39.807 39.000 -0.788 0.000 1.297 87 F HN -0.179 nan 8.300 nan 0.000 0.489 88 P HA 0.150 nan 4.420 nan 0.000 0.282 88 P C -0.801 176.665 177.300 0.277 0.000 1.249 88 P CA -0.530 62.689 63.100 0.198 0.000 0.806 88 P CB 1.225 33.023 31.700 0.165 0.000 0.984 89 S N 1.439 117.258 115.700 0.199 0.000 2.575 89 S HA 0.022 4.492 4.470 0.000 0.000 0.295 89 S C 0.149 174.862 174.600 0.189 0.000 1.267 89 S CA -0.174 58.146 58.200 0.200 0.000 1.074 89 S CB -0.543 62.741 63.200 0.140 0.000 0.829 89 S HN 0.471 nan 8.310 nan 0.000 0.497 90 C N 4.683 124.097 119.300 0.190 0.000 2.347 90 C HA 0.313 4.773 4.460 0.000 0.000 0.353 90 C C 1.675 176.726 174.990 0.101 0.000 1.273 90 C CA -0.538 58.546 59.018 0.111 0.000 1.861 90 C CB -0.111 27.640 27.740 0.018 0.000 2.420 90 C HN 1.048 nan 8.230 nan 0.000 0.542 91 E N 3.251 123.499 120.200 0.081 0.000 2.472 91 E HA 0.279 4.630 4.350 0.000 0.000 0.196 91 E C 0.787 177.431 176.600 0.073 0.000 1.033 91 E CA 0.410 56.856 56.400 0.076 0.000 0.886 91 E CB 0.372 30.110 29.700 0.063 0.000 0.944 91 E HN 0.796 nan 8.360 nan 0.000 0.492 92 G N 1.270 110.112 108.800 0.071 0.000 3.085 92 G HA2 0.192 4.152 3.960 0.000 0.000 0.264 92 G HA3 0.192 4.152 3.960 0.000 0.000 0.264 92 G C -1.299 173.662 174.900 0.102 0.000 1.206 92 G CA -0.785 44.361 45.100 0.077 0.000 0.809 92 G HN 0.137 nan 8.290 nan 0.000 0.592 93 K N 0.013 120.469 120.400 0.094 0.000 2.416 93 K HA 0.207 4.527 4.320 0.000 0.000 0.283 93 K C -1.020 175.672 176.600 0.153 0.000 1.037 93 K CA -0.348 56.010 56.287 0.119 0.000 0.995 93 K CB 0.828 33.370 32.500 0.072 0.000 0.938 93 K HN 0.220 nan 8.250 nan 0.000 0.475 94 F N 3.883 123.856 119.950 0.038 0.000 2.443 94 F HA 0.175 4.702 4.527 0.000 0.000 0.353 94 F C -0.227 175.611 175.800 0.063 0.000 1.101 94 F CA -0.606 57.417 58.000 0.038 0.000 1.226 94 F CB 0.703 39.739 39.000 0.059 0.000 1.140 94 F HN 0.703 nan 8.300 nan 0.000 0.557 95 N N 7.250 125.382 118.700 -0.948 0.000 2.558 95 N HA 0.017 4.757 4.740 0.000 0.000 0.242 95 N C 0.621 175.489 175.510 -1.070 0.000 0.979 95 N CA -0.561 52.048 53.050 -0.734 0.000 0.931 95 N CB 0.089 38.365 38.487 -0.352 0.000 1.122 95 N HN 0.909 nan 8.380 nan 0.000 0.508 96 W N 5.528 126.251 121.300 -0.963 0.000 2.338 96 W HA -0.184 4.476 4.660 0.000 0.000 0.304 96 W C 1.504 177.862 176.519 -0.268 0.000 1.212 96 W CA 1.620 58.658 57.345 -0.513 0.000 1.264 96 W CB 0.158 29.559 29.460 -0.098 0.000 1.142 96 W HN 0.704 nan 8.180 nan 0.000 0.512 97 R N 0.081 120.619 120.500 0.063 0.000 2.148 97 R HA -0.117 4.223 4.340 0.000 0.000 0.227 97 R C 1.862 178.129 176.300 -0.056 0.000 1.103 97 R CA 1.650 57.780 56.100 0.050 0.000 0.983 97 R CB -1.192 29.159 30.300 0.086 0.000 0.874 97 R HN 0.058 nan 8.270 nan 0.000 0.451 98 V N 1.596 121.432 119.914 -0.130 0.000 2.261 98 V HA -0.237 3.883 4.120 0.000 0.000 0.246 98 V C 2.287 178.311 176.094 -0.115 0.000 1.047 98 V CA 1.892 64.118 62.300 -0.123 0.000 1.015 98 V CB -0.418 31.311 31.823 -0.156 0.000 0.642 98 V HN 0.297 nan 8.190 nan 0.000 0.446 99 I N -0.445 120.028 120.570 -0.162 0.000 2.617 99 I HA -0.111 4.059 4.170 0.000 0.000 0.256 99 I C 2.373 178.409 176.117 -0.135 0.000 1.167 99 I CA 1.461 62.687 61.300 -0.124 0.000 1.469 99 I CB -0.434 37.520 38.000 -0.076 0.000 1.098 99 I HN 0.188 nan 8.210 nan 0.000 0.436 100 K N 0.577 120.866 120.400 -0.183 0.000 2.057 100 K HA -0.235 4.085 4.320 0.000 0.000 0.207 100 K C 1.921 178.510 176.600 -0.018 0.000 1.049 100 K CA 1.882 58.104 56.287 -0.108 0.000 0.931 100 K CB -0.130 32.358 32.500 -0.019 0.000 0.714 100 K HN 0.396 nan 8.250 nan 0.000 0.440 101 E N 0.413 120.604 120.200 -0.015 0.000 2.077 101 E HA -0.176 4.174 4.350 0.000 0.000 0.193 101 E C 1.987 178.591 176.600 0.006 0.000 0.989 101 E CA 1.488 57.889 56.400 0.003 0.000 0.800 101 E CB 0.109 29.806 29.700 -0.004 0.000 0.746 101 E HN 0.301 nan 8.360 nan 0.000 0.452 102 K N 0.357 120.751 120.400 -0.011 0.000 2.148 102 K HA -0.092 4.228 4.320 0.000 0.000 0.204 102 K C 2.232 178.855 176.600 0.039 0.000 1.050 102 K CA 0.624 56.910 56.287 -0.000 0.000 0.942 102 K CB -0.056 32.426 32.500 -0.030 0.000 0.724 102 K HN -0.015 nan 8.250 nan 0.000 0.446 103 R N 1.320 121.841 120.500 0.034 0.000 2.066 103 R HA -0.149 4.191 4.340 0.000 0.000 0.232 103 R C 1.384 177.740 176.300 0.093 0.000 1.131 103 R CA 1.794 57.944 56.100 0.082 0.000 0.955 103 R CB -0.040 30.287 30.300 0.046 0.000 0.851 103 R HN 0.107 nan 8.270 nan 0.000 0.432 104 D N 0.312 120.747 120.400 0.058 0.000 2.123 104 D HA -0.141 4.500 4.640 0.000 0.000 0.196 104 D C 1.702 178.031 176.300 0.048 0.000 0.992 104 D CA 1.521 55.548 54.000 0.045 0.000 0.833 104 D CB -0.247 40.579 40.800 0.043 0.000 0.954 104 D HN 0.376 nan 8.370 nan 0.000 0.455 105 A N 0.176 123.033 122.820 0.062 0.000 1.902 105 A HA -0.227 4.093 4.320 0.000 0.000 0.217 105 A C 2.193 179.846 177.584 0.114 0.000 1.181 105 A CA 1.232 53.309 52.037 0.067 0.000 0.623 105 A CB -1.013 18.021 19.000 0.056 0.000 0.818 105 A HN 0.307 nan 8.150 nan 0.000 0.443 106 Y N 0.769 121.062 120.300 -0.013 0.000 2.181 106 Y HA -0.161 4.389 4.550 0.000 0.000 0.288 106 Y C 2.344 178.240 175.900 -0.008 0.000 1.146 106 Y CA 1.534 59.626 58.100 -0.013 0.000 1.164 106 Y CB -0.582 37.868 38.460 -0.017 0.000 0.982 106 Y HN 0.061 nan 8.280 nan 0.000 0.515 107 V N -0.740 119.110 119.914 -0.107 0.000 2.343 107 V HA -0.303 3.817 4.120 0.000 0.000 0.247 107 V C 2.504 178.532 176.094 -0.110 0.000 1.051 107 V CA 2.109 64.293 62.300 -0.194 0.000 1.036 107 V CB -0.958 30.796 31.823 -0.114 0.000 0.654 107 V HN 0.386 nan 8.190 nan 0.000 0.451 108 S N -0.602 115.074 115.700 -0.040 0.000 2.368 108 S HA -0.195 4.275 4.470 0.000 0.000 0.225 108 S C 2.088 176.678 174.600 -0.017 0.000 1.030 108 S CA 1.452 59.644 58.200 -0.014 0.000 0.999 108 S CB -0.293 62.912 63.200 0.008 0.000 0.844 108 S HN 0.543 nan 8.310 nan 0.000 0.459 109 R N 0.683 121.174 120.500 -0.013 0.000 2.081 109 R HA -0.027 4.313 4.340 0.000 0.000 0.235 109 R C 2.251 178.517 176.300 -0.058 0.000 1.131 109 R CA 1.181 57.276 56.100 -0.008 0.000 0.960 109 R CB -0.619 29.718 30.300 0.060 0.000 0.856 109 R HN 0.379 nan 8.270 nan 0.000 0.436 110 L N 0.527 121.674 121.223 -0.127 0.000 2.056 110 L HA -0.167 4.173 4.340 0.000 0.000 0.207 110 L C 1.828 178.735 176.870 0.060 0.000 1.078 110 L CA 1.470 56.251 54.840 -0.098 0.000 0.749 110 L CB -0.639 41.336 42.059 -0.141 0.000 0.901 110 L HN 0.282 nan 8.230 nan 0.000 0.433 111 N N 0.218 118.950 118.700 0.053 0.000 2.104 111 N HA -0.205 4.535 4.740 0.000 0.000 0.190 111 N C 1.927 177.481 175.510 0.074 0.000 1.024 111 N CA 1.228 54.334 53.050 0.095 0.000 0.853 111 N CB -0.219 38.286 38.487 0.029 0.000 1.008 111 N HN 0.338 nan 8.380 nan 0.000 0.424 112 A N 0.988 123.817 122.820 0.016 0.000 1.930 112 A HA -0.061 4.259 4.320 0.000 0.000 0.217 112 A C 2.133 179.696 177.584 -0.034 0.000 1.175 112 A CA 0.882 52.916 52.037 -0.005 0.000 0.627 112 A CB -0.528 18.465 19.000 -0.013 0.000 0.815 112 A HN 0.202 nan 8.150 nan 0.000 0.443 113 I N -1.937 118.580 120.570 -0.088 0.000 2.226 113 I HA -0.289 3.881 4.170 0.000 0.000 0.245 113 I C 2.361 178.337 176.117 -0.234 0.000 1.100 113 I CA 1.510 62.696 61.300 -0.191 0.000 1.374 113 I CB -0.382 37.438 38.000 -0.301 0.000 1.057 113 I HN 0.428 nan 8.210 nan 0.000 0.413 114 Y N 0.471 120.740 120.300 -0.053 0.000 2.224 114 Y HA -0.306 4.244 4.550 0.000 0.000 0.289 114 Y C 2.807 178.676 175.900 -0.052 0.000 1.146 114 Y CA 1.610 59.678 58.100 -0.053 0.000 1.182 114 Y CB -0.281 38.145 38.460 -0.057 0.000 0.983 114 Y HN 0.208 nan 8.280 nan 0.000 0.524 115 Q N 0.550 120.411 119.800 0.101 0.000 2.050 115 Q HA -0.246 4.094 4.340 0.000 0.000 0.202 115 Q C 2.189 178.186 176.000 -0.004 0.000 0.980 115 Q CA 1.704 57.529 55.803 0.038 0.000 0.840 115 Q CB -0.311 28.439 28.738 0.020 0.000 0.898 115 Q HN 0.496 nan 8.270 nan 0.000 0.424 116 N N -0.153 118.531 118.700 -0.027 0.000 2.166 116 N HA -0.183 4.557 4.740 0.000 0.000 0.186 116 N C 1.304 176.776 175.510 -0.063 0.000 1.019 116 N CA 1.361 54.381 53.050 -0.049 0.000 0.856 116 N CB -0.138 38.314 38.487 -0.058 0.000 0.993 116 N HN 0.382 nan 8.380 nan 0.000 0.426 117 N N 0.406 119.069 118.700 -0.062 0.000 2.149 117 N HA -0.115 4.625 4.740 0.000 0.000 0.188 117 N C 1.868 177.346 175.510 -0.053 0.000 1.019 117 N CA 0.681 53.695 53.050 -0.059 0.000 0.857 117 N CB 0.044 38.506 38.487 -0.042 0.000 0.997 117 N HN 0.246 nan 8.380 nan 0.000 0.426 118 L N 0.440 121.646 121.223 -0.029 0.000 2.072 118 L HA -0.136 4.205 4.340 0.000 0.000 0.205 118 L C 2.906 179.723 176.870 -0.090 0.000 1.079 118 L CA 1.366 56.180 54.840 -0.043 0.000 0.752 118 L CB -0.983 41.062 42.059 -0.024 0.000 0.906 118 L HN 0.412 nan 8.230 nan 0.000 0.436 119 T N -2.353 112.149 114.554 -0.086 0.000 2.708 119 T HA -0.234 4.116 4.350 0.000 0.000 0.266 119 T C 1.824 176.376 174.700 -0.246 0.000 1.037 119 T CA 1.122 63.155 62.100 -0.112 0.000 1.146 119 T CB -0.264 68.569 68.868 -0.060 0.000 0.865 119 T HN 0.206 nan 8.240 nan 0.000 0.435 120 K N 0.937 121.202 120.400 -0.225 0.000 2.281 120 K HA 0.045 4.365 4.320 0.000 0.000 0.203 120 K C 2.308 178.588 176.600 -0.534 0.000 1.046 120 K CA 1.315 57.420 56.287 -0.304 0.000 0.938 120 K CB -0.112 32.293 32.500 -0.159 0.000 0.737 120 K HN 0.324 nan 8.250 nan 0.000 0.458 121 S N -0.587 114.872 115.700 -0.402 0.000 2.575 121 S HA 0.036 4.506 4.470 0.000 0.000 0.215 121 S C -0.484 173.938 174.600 -0.296 0.000 0.966 121 S CA -0.080 57.947 58.200 -0.290 0.000 0.911 121 S CB -0.068 63.067 63.200 -0.109 0.000 0.780 121 S HN 0.406 nan 8.310 nan 0.000 0.514 122 H N -0.536 118.533 119.070 -0.002 0.000 2.969 122 H HA -0.115 4.441 4.556 0.000 0.000 0.269 122 H C -0.469 174.865 175.328 0.010 0.000 1.230 122 H CA 0.430 56.482 56.048 0.007 0.000 1.123 122 H CB -2.136 27.631 29.762 0.008 0.000 1.289 122 H HN 0.357 nan 8.280 nan 0.000 0.364 123 I N 1.212 121.789 120.570 0.011 0.000 2.365 123 I HA 0.108 4.278 4.170 0.000 0.000 0.291 123 I C 0.902 177.013 176.117 -0.011 0.000 1.004 123 I CA -0.208 61.093 61.300 0.002 0.000 1.311 123 I CB 1.271 39.250 38.000 -0.036 0.000 1.401 123 I HN 0.238 nan 8.210 nan 0.000 0.491 124 E N 6.227 126.417 120.200 -0.017 0.000 2.338 124 E HA 0.343 4.693 4.350 0.000 0.000 0.272 124 E C -1.001 175.529 176.600 -0.116 0.000 1.029 124 E CA -0.281 56.098 56.400 -0.035 0.000 0.872 124 E CB 0.801 30.496 29.700 -0.009 0.000 1.015 124 E HN 0.395 nan 8.360 nan 0.000 0.417 125 I N 5.751 126.266 120.570 -0.091 0.000 2.339 125 I HA 0.283 4.454 4.170 0.000 0.000 0.290 125 I C -0.404 175.632 176.117 -0.134 0.000 0.994 125 I CA -0.449 60.781 61.300 -0.117 0.000 1.191 125 I CB 1.132 39.087 38.000 -0.076 0.000 1.343 125 I HN 0.437 nan 8.210 nan 0.000 0.458 126 I N 6.358 126.806 120.570 -0.204 0.000 2.339 126 I HA 0.377 4.547 4.170 0.000 0.000 0.290 126 I C 0.066 176.078 176.117 -0.175 0.000 0.994 126 I CA -0.627 60.539 61.300 -0.223 0.000 1.191 126 I CB 1.236 38.971 38.000 -0.442 0.000 1.343 126 I HN 0.471 nan 8.210 nan 0.000 0.458 127 R N 4.125 124.557 120.500 -0.113 0.000 2.254 127 R HA 0.755 5.095 4.340 0.000 0.000 0.318 127 R C 0.017 176.263 176.300 -0.089 0.000 1.031 127 R CA 0.078 56.120 56.100 -0.096 0.000 0.905 127 R CB 1.430 31.689 30.300 -0.067 0.000 1.050 127 R HN 0.916 nan 8.270 nan 0.000 0.456 128 G N 1.036 109.775 108.800 -0.102 0.000 2.369 128 G HA2 -0.075 3.885 3.960 0.000 0.000 0.307 128 G HA3 -0.075 3.885 3.960 0.000 0.000 0.307 128 G C -1.939 172.930 174.900 -0.051 0.000 1.327 128 G CA -1.030 44.031 45.100 -0.065 0.000 0.963 128 G HN 0.693 nan 8.290 nan 0.000 0.590 129 H N 0.248 119.266 119.070 -0.087 0.000 2.552 129 H HA 0.756 5.312 4.556 0.000 0.000 0.311 129 H C 0.479 175.767 175.328 -0.067 0.000 1.071 129 H CA 0.542 56.551 56.048 -0.066 0.000 1.307 129 H CB 1.087 30.827 29.762 -0.036 0.000 1.416 129 H HN 0.942 nan 8.280 nan 0.000 0.464 130 A N 3.976 126.437 122.820 -0.598 0.000 2.304 130 A HA 0.763 5.083 4.320 0.000 0.000 0.301 130 A C -0.641 176.655 177.584 -0.480 0.000 1.132 130 A CA 0.003 51.782 52.037 -0.431 0.000 0.819 130 A CB 0.352 19.113 19.000 -0.399 0.000 1.094 130 A HN 0.946 nan 8.150 nan 0.000 0.492 131 A N 0.989 123.660 122.820 -0.248 0.000 2.515 131 A HA 0.711 5.031 4.320 0.000 0.000 0.298 131 A C -0.802 176.677 177.584 -0.175 0.000 1.059 131 A CA -0.579 51.383 52.037 -0.125 0.000 0.698 131 A CB 0.577 19.630 19.000 0.089 0.000 1.289 131 A HN 0.658 nan 8.150 nan 0.000 0.404 132 F N 1.199 121.164 119.950 0.025 0.000 2.444 132 F HA 0.436 4.963 4.527 0.000 0.000 0.331 132 F C 1.701 177.522 175.800 0.035 0.000 1.167 132 F CA 1.163 59.179 58.000 0.028 0.000 1.262 132 F CB 1.317 40.329 39.000 0.020 0.000 1.196 132 F HN 0.688 nan 8.300 nan 0.000 0.583 133 T N -2.610 112.097 114.554 0.255 0.000 2.937 133 T HA 0.275 4.625 4.350 0.000 0.000 0.283 133 T C 0.925 175.706 174.700 0.134 0.000 1.012 133 T CA -0.198 61.993 62.100 0.152 0.000 0.997 133 T CB 1.288 70.217 68.868 0.102 0.000 1.136 133 T HN 0.538 nan 8.240 nan 0.000 0.551 134 S N -0.444 115.308 115.700 0.086 0.000 2.447 134 S HA -0.025 4.446 4.470 0.000 0.000 0.233 134 S C 0.415 175.045 174.600 0.049 0.000 1.006 134 S CA 0.053 58.288 58.200 0.058 0.000 0.957 134 S CB -0.715 62.512 63.200 0.044 0.000 0.773 134 S HN 0.763 nan 8.310 nan 0.000 0.507 135 D N 3.625 124.060 120.400 0.058 0.000 2.478 135 D HA 0.066 4.706 4.640 0.000 0.000 0.234 135 D C -1.392 174.934 176.300 0.043 0.000 1.154 135 D CA -0.800 53.229 54.000 0.048 0.000 0.874 135 D CB 0.393 41.225 40.800 0.053 0.000 1.198 135 D HN 0.151 nan 8.370 nan 0.000 0.455 136 P HA -0.123 nan 4.420 nan 0.000 0.210 136 P C 0.288 177.600 177.300 0.021 0.000 1.191 136 P CA 1.242 64.352 63.100 0.018 0.000 0.917 136 P CB -0.015 31.693 31.700 0.013 0.000 0.778 137 K N 1.281 121.698 120.400 0.028 0.000 2.412 137 K HA 0.199 4.519 4.320 0.000 0.000 0.281 137 K C -2.373 174.265 176.600 0.064 0.000 1.027 137 K CA -1.779 54.529 56.287 0.034 0.000 0.989 137 K CB -0.526 31.994 32.500 0.033 0.000 0.935 137 K HN -0.001 nan 8.250 nan 0.000 0.475 138 P HA -0.025 nan 4.420 nan 0.000 0.260 138 P C -1.058 176.358 177.300 0.193 0.000 1.185 138 P CA 0.198 63.383 63.100 0.140 0.000 0.763 138 P CB 0.610 32.379 31.700 0.116 0.000 0.776 139 T N 3.980 118.674 114.554 0.233 0.000 2.933 139 T HA 0.651 5.001 4.350 0.000 0.000 0.305 139 T C 0.071 174.869 174.700 0.163 0.000 1.092 139 T CA -0.540 61.666 62.100 0.176 0.000 1.008 139 T CB 0.939 69.877 68.868 0.117 0.000 1.102 139 T HN 0.329 nan 8.240 nan 0.000 0.469 140 I N -0.776 119.835 120.570 0.068 0.000 2.910 140 I HA 0.839 5.009 4.170 0.000 0.000 0.310 140 I C -0.610 175.546 176.117 0.066 0.000 1.043 140 I CA -0.924 60.344 61.300 -0.054 0.000 1.053 140 I CB 2.277 40.120 38.000 -0.262 0.000 1.242 140 I HN 0.522 nan 8.210 nan 0.000 0.452 141 E N 2.889 123.111 120.200 0.036 0.000 2.210 141 E HA 0.637 4.987 4.350 0.000 0.000 0.266 141 E C -1.819 174.840 176.600 0.098 0.000 0.883 141 E CA -0.803 55.652 56.400 0.091 0.000 0.761 141 E CB 2.502 32.238 29.700 0.059 0.000 1.156 141 E HN 0.584 nan 8.360 nan 0.000 0.412 142 V N 3.256 123.281 119.914 0.185 0.000 2.447 142 V HA 0.197 4.317 4.120 0.000 0.000 0.292 142 V C -0.037 176.139 176.094 0.137 0.000 1.021 142 V CA -0.717 61.656 62.300 0.121 0.000 0.850 142 V CB 1.413 33.266 31.823 0.051 0.000 1.005 142 V HN 0.878 nan 8.190 nan 0.000 0.426 143 S N 3.853 119.605 115.700 0.087 0.000 3.749 143 S HA -0.179 4.291 4.470 0.000 0.000 0.348 143 S C 1.485 176.122 174.600 0.062 0.000 1.045 143 S CA 1.522 59.763 58.200 0.067 0.000 1.051 143 S CB -1.209 62.029 63.200 0.063 0.000 0.898 143 S HN 2.277 nan 8.310 nan 0.000 0.472 144 G N -0.239 108.594 108.800 0.054 0.000 2.284 144 G HA2 -0.311 3.649 3.960 0.000 0.000 0.247 144 G HA3 -0.311 3.649 3.960 0.000 0.000 0.247 144 G C -0.063 174.843 174.900 0.010 0.000 1.012 144 G CA 0.692 45.810 45.100 0.031 0.000 0.618 144 G HN 0.635 nan 8.290 nan 0.000 0.521 145 K N 0.906 121.318 120.400 0.020 0.000 2.110 145 K HA 0.534 4.854 4.320 0.000 0.000 0.263 145 K C 0.012 176.502 176.600 -0.182 0.000 0.975 145 K CA -0.534 55.689 56.287 -0.107 0.000 0.895 145 K CB 1.552 33.960 32.500 -0.153 0.000 1.060 145 K HN 0.161 nan 8.250 nan 0.000 0.448 146 K N 2.031 122.230 120.400 -0.336 0.000 2.123 146 K HA 0.399 4.719 4.320 0.000 0.000 0.259 146 K C -0.937 175.351 176.600 -0.520 0.000 0.960 146 K CA -0.606 55.531 56.287 -0.249 0.000 0.872 146 K CB 1.001 33.433 32.500 -0.113 0.000 1.079 146 K HN 0.439 nan 8.250 nan 0.000 0.440 147 Y N -0.699 119.633 120.300 0.054 0.000 2.504 147 Y HA 0.324 4.874 4.550 0.000 0.000 0.344 147 Y C 0.160 176.122 175.900 0.103 0.000 1.023 147 Y CA -0.751 57.413 58.100 0.107 0.000 1.020 147 Y CB 2.611 41.128 38.460 0.095 0.000 1.282 147 Y HN 0.536 nan 8.280 nan 0.000 0.454 148 T N 0.992 115.721 114.554 0.293 0.000 2.843 148 T HA 0.932 5.282 4.350 0.000 0.000 0.302 148 T C -1.767 173.082 174.700 0.248 0.000 1.232 148 T CA -0.304 61.924 62.100 0.214 0.000 1.009 148 T CB 1.444 70.394 68.868 0.137 0.000 1.254 148 T HN 1.108 nan 8.240 nan 0.000 0.504 149 A N 2.607 125.554 122.820 0.213 0.000 2.599 149 A HA 0.735 5.055 4.320 0.000 0.000 0.294 149 A C -2.581 175.101 177.584 0.164 0.000 1.055 149 A CA -1.054 51.126 52.037 0.239 0.000 0.683 149 A CB 1.048 20.248 19.000 0.334 0.000 1.278 149 A HN 0.556 nan 8.150 nan 0.000 0.412 150 P HA 0.057 nan 4.420 nan 0.000 0.233 150 P C -0.204 176.916 177.300 -0.299 0.000 1.167 150 P CA 1.174 64.203 63.100 -0.118 0.000 0.770 150 P CB 0.026 31.589 31.700 -0.229 0.000 0.837 151 H N -0.134 119.163 119.070 0.378 0.000 2.823 151 H HA 0.432 4.988 4.556 0.000 0.000 0.332 151 H C -0.259 175.412 175.328 0.572 0.000 0.980 151 H CA -0.605 55.786 56.048 0.572 0.000 1.286 151 H CB 1.637 31.753 29.762 0.590 0.000 1.541 151 H HN -0.012 nan 8.280 nan 0.000 0.521 152 I N 4.322 125.228 120.570 0.559 0.000 2.418 152 I HA 0.115 4.285 4.170 0.000 0.000 0.287 152 I C -0.567 175.773 176.117 0.372 0.000 1.008 152 I CA -0.868 60.636 61.300 0.341 0.000 1.104 152 I CB 2.292 40.454 38.000 0.270 0.000 1.264 152 I HN 0.200 nan 8.210 nan 0.000 0.438 153 L N 8.392 129.719 121.223 0.173 0.000 2.282 153 L HA 0.581 4.921 4.340 0.000 0.000 0.288 153 L C -0.770 176.156 176.870 0.093 0.000 1.033 153 L CA 0.043 54.999 54.840 0.194 0.000 0.807 153 L CB 1.059 43.153 42.059 0.058 0.000 1.209 153 L HN 0.402 nan 8.230 nan 0.000 0.423 154 I N 5.843 126.502 120.570 0.148 0.000 2.304 154 I HA 0.522 4.692 4.170 0.000 0.000 0.291 154 I C 0.289 176.454 176.117 0.081 0.000 1.018 154 I CA -0.118 61.246 61.300 0.107 0.000 1.260 154 I CB 1.471 39.570 38.000 0.165 0.000 1.390 154 I HN 0.832 nan 8.210 nan 0.000 0.475 155 A N 3.579 126.419 122.820 0.032 0.000 3.308 155 A HA 0.265 4.585 4.320 0.000 0.000 0.275 155 A C 0.805 178.399 177.584 0.015 0.000 0.950 155 A CA -0.366 51.691 52.037 0.033 0.000 0.987 155 A CB -0.332 18.678 19.000 0.016 0.000 1.146 155 A HN 0.734 nan 8.150 nan 0.000 0.488 156 T N -2.712 111.858 114.554 0.027 0.000 3.148 156 T HA 0.431 4.781 4.350 0.000 0.000 0.253 156 T C 1.345 176.066 174.700 0.034 0.000 1.134 156 T CA 0.975 63.087 62.100 0.020 0.000 1.051 156 T CB -0.295 68.587 68.868 0.023 0.000 0.959 156 T HN 2.038 nan 8.240 nan 0.000 0.525 157 G N 0.421 109.248 108.800 0.045 0.000 2.575 157 G HA2 0.214 4.174 3.960 0.000 0.000 0.267 157 G HA3 0.214 4.174 3.960 0.000 0.000 0.267 157 G C 0.102 175.040 174.900 0.062 0.000 1.264 157 G CA -0.301 44.830 45.100 0.051 0.000 0.935 157 G HN 1.230 nan 8.290 nan 0.000 0.568 158 G N -2.667 106.167 108.800 0.057 0.000 3.135 158 G HA2 0.850 4.810 3.960 0.000 0.000 0.278 158 G HA3 0.850 4.810 3.960 0.000 0.000 0.278 158 G C -0.760 174.163 174.900 0.037 0.000 1.302 158 G CA -0.108 45.026 45.100 0.056 0.000 0.880 158 G HN 1.045 nan 8.290 nan 0.000 0.574 159 M N -0.180 119.441 119.600 0.035 0.000 2.682 159 M HA 0.368 4.848 4.480 0.000 0.000 0.272 159 M C -2.896 173.421 176.300 0.028 0.000 1.232 159 M CA -1.299 54.015 55.300 0.023 0.000 0.849 159 M CB 3.285 35.889 32.600 0.007 0.000 1.695 159 M HN 0.194 nan 8.290 nan 0.000 0.481 160 P HA 0.171 nan 4.420 nan 0.000 0.275 160 P C -1.115 176.189 177.300 0.006 0.000 1.227 160 P CA -0.312 62.807 63.100 0.031 0.000 0.781 160 P CB 1.011 32.740 31.700 0.049 0.000 0.906 161 S N 1.500 117.200 115.700 0.001 0.000 2.537 161 S HA 0.562 5.032 4.470 0.000 0.000 0.275 161 S C -0.252 174.293 174.600 -0.092 0.000 1.272 161 S CA -0.196 57.980 58.200 -0.039 0.000 1.050 161 S CB -0.326 62.860 63.200 -0.023 0.000 0.961 161 S HN 0.552 nan 8.310 nan 0.000 0.496 162 T N 2.687 117.127 114.554 -0.190 0.000 2.907 162 T HA 0.729 5.079 4.350 0.000 0.000 0.292 162 T C -3.088 171.323 174.700 -0.481 0.000 1.043 162 T CA -1.847 60.028 62.100 -0.374 0.000 1.003 162 T CB 1.101 69.783 68.868 -0.310 0.000 1.084 162 T HN 0.404 nan 8.240 nan 0.000 0.483 163 P HA 0.302 nan 4.420 nan 0.000 0.274 163 P C -0.326 176.713 177.300 -0.435 0.000 1.231 163 P CA -0.501 62.285 63.100 -0.523 0.000 0.790 163 P CB 0.288 31.575 31.700 -0.690 0.000 0.951 164 H N 1.119 120.068 119.070 -0.201 0.000 2.683 164 H HA 0.026 4.582 4.556 0.000 0.000 0.339 164 H C 1.022 176.288 175.328 -0.103 0.000 1.081 164 H CA 0.218 56.192 56.048 -0.124 0.000 1.432 164 H CB 1.171 30.880 29.762 -0.088 0.000 1.462 164 H HN 0.541 nan 8.280 nan 0.000 0.557 165 E N 1.566 121.774 120.200 0.013 0.000 2.160 165 E HA -0.186 4.164 4.350 0.000 0.000 0.195 165 E C 2.020 178.645 176.600 0.043 0.000 0.991 165 E CA 1.560 57.971 56.400 0.019 0.000 0.810 165 E CB 0.173 29.885 29.700 0.020 0.000 0.742 165 E HN 0.665 nan 8.360 nan 0.000 0.466 166 S N -0.054 115.689 115.700 0.072 0.000 2.382 166 S HA -0.308 4.162 4.470 0.000 0.000 0.228 166 S C 2.049 176.664 174.600 0.023 0.000 1.027 166 S CA 1.404 59.626 58.200 0.037 0.000 0.991 166 S CB -0.383 62.825 63.200 0.013 0.000 0.823 166 S HN 0.493 nan 8.310 nan 0.000 0.469 167 Q N 0.537 120.356 119.800 0.031 0.000 2.297 167 Q HA 0.357 4.697 4.340 0.000 0.000 0.203 167 Q C 0.375 176.384 176.000 0.014 0.000 0.931 167 Q CA 0.552 56.362 55.803 0.012 0.000 0.885 167 Q CB -0.010 28.729 28.738 0.002 0.000 0.991 167 Q HN 0.620 nan 8.270 nan 0.000 0.498 168 I N 2.317 122.892 120.570 0.008 0.000 2.517 168 I HA 0.402 4.572 4.170 0.000 0.000 0.280 168 I C -2.573 173.570 176.117 0.044 0.000 1.061 168 I CA -2.802 58.516 61.300 0.031 0.000 1.091 168 I CB 2.182 40.196 38.000 0.024 0.000 1.205 168 I HN -0.008 nan 8.210 nan 0.000 0.459 169 P HA 0.182 nan 4.420 nan 0.000 0.271 169 P C 0.867 178.210 177.300 0.073 0.000 1.216 169 P CA 0.462 63.592 63.100 0.050 0.000 0.771 169 P CB 0.865 32.588 31.700 0.039 0.000 0.864 170 G N 2.535 111.376 108.800 0.068 0.000 2.143 170 G HA2 -0.302 3.658 3.960 0.000 0.000 0.249 170 G HA3 -0.302 3.658 3.960 0.000 0.000 0.249 170 G C 1.123 176.113 174.900 0.151 0.000 0.981 170 G CA 0.336 45.488 45.100 0.086 0.000 0.665 170 G HN 0.656 nan 8.290 nan 0.000 0.528 171 A N 0.693 123.607 122.820 0.157 0.000 1.978 171 A HA 0.154 4.474 4.320 0.000 0.000 0.220 171 A C 2.640 180.409 177.584 0.308 0.000 1.170 171 A CA 2.608 54.811 52.037 0.277 0.000 0.636 171 A CB -0.709 18.246 19.000 -0.075 0.000 0.810 171 A HN 1.805 nan 8.150 nan 0.000 0.448 172 S N -0.374 115.403 115.700 0.129 0.000 2.547 172 S HA 0.050 4.520 4.470 0.000 0.000 0.235 172 S C 1.459 176.132 174.600 0.120 0.000 0.980 172 S CA 0.983 59.243 58.200 0.100 0.000 0.941 172 S CB -0.575 62.645 63.200 0.033 0.000 0.763 172 S HN 0.472 nan 8.310 nan 0.000 0.532 173 L N 0.992 122.296 121.223 0.134 0.000 2.492 173 L HA 0.254 4.594 4.340 0.000 0.000 0.223 173 L C 1.604 178.519 176.870 0.076 0.000 1.132 173 L CA 0.155 55.044 54.840 0.083 0.000 0.850 173 L CB -0.686 41.407 42.059 0.058 0.000 0.966 173 L HN 0.456 nan 8.230 nan 0.000 0.454 174 G N 0.333 109.234 108.800 0.170 0.000 2.477 174 G HA2 0.567 4.528 3.960 0.000 0.000 0.304 174 G HA3 0.567 4.528 3.960 0.000 0.000 0.304 174 G C -0.385 174.594 174.900 0.133 0.000 1.175 174 G CA -0.507 44.618 45.100 0.042 0.000 0.907 174 G HN 0.117 nan 8.290 nan 0.000 0.509 175 I N -1.961 118.636 120.570 0.045 0.000 3.100 175 I HA 0.867 5.037 4.170 0.000 0.000 0.312 175 I C 0.413 176.616 176.117 0.142 0.000 1.063 175 I CA -0.965 60.393 61.300 0.097 0.000 1.031 175 I CB 2.274 40.303 38.000 0.048 0.000 1.243 175 I HN 0.611 nan 8.210 nan 0.000 0.483 176 T N -1.736 112.898 114.554 0.134 0.000 2.841 176 T HA 0.307 4.657 4.350 0.000 0.000 0.276 176 T C 1.051 175.809 174.700 0.096 0.000 1.003 176 T CA -0.017 62.160 62.100 0.128 0.000 0.995 176 T CB 1.125 70.065 68.868 0.120 0.000 1.260 176 T HN 0.815 nan 8.240 nan 0.000 0.581 177 S N 0.093 115.835 115.700 0.068 0.000 2.419 177 S HA -0.174 4.296 4.470 0.000 0.000 0.235 177 S C 1.264 175.974 174.600 0.183 0.000 1.019 177 S CA 1.473 59.702 58.200 0.048 0.000 0.982 177 S CB -0.928 62.294 63.200 0.037 0.000 0.789 177 S HN 0.719 nan 8.310 nan 0.000 0.490 178 D N 2.275 122.794 120.400 0.199 0.000 2.097 178 D HA 0.014 4.654 4.640 0.000 0.000 0.195 178 D C 2.223 178.655 176.300 0.220 0.000 0.989 178 D CA 1.478 55.625 54.000 0.245 0.000 0.827 178 D CB -1.101 39.786 40.800 0.146 0.000 0.966 178 D HN 0.557 nan 8.370 nan 0.000 0.456 179 G N -0.131 108.757 108.800 0.146 0.000 2.443 179 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 179 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 179 G C 1.475 176.429 174.900 0.090 0.000 1.131 179 G CA 0.197 45.360 45.100 0.106 0.000 0.775 179 G HN 0.276 nan 8.290 nan 0.000 0.547 180 F N 0.811 120.701 119.950 -0.100 0.000 2.161 180 F HA -0.011 4.516 4.527 0.000 0.000 0.300 180 F C 1.821 177.496 175.800 -0.209 0.000 1.089 180 F CA 1.115 58.983 58.000 -0.221 0.000 1.282 180 F CB -0.041 38.700 39.000 -0.432 0.000 1.010 180 F HN 0.107 nan 8.300 nan 0.000 0.485 181 F N 0.305 120.376 119.950 0.201 0.000 2.802 181 F HA 0.037 4.564 4.527 0.000 0.000 0.300 181 F C 2.023 177.864 175.800 0.067 0.000 1.168 181 F CA 0.609 58.678 58.000 0.115 0.000 1.433 181 F CB -0.584 38.518 39.000 0.170 0.000 1.115 181 F HN 0.131 nan 8.300 nan 0.000 0.582 182 Q N -0.311 119.587 119.800 0.162 0.000 2.352 182 Q HA 0.187 4.527 4.340 0.000 0.000 0.212 182 Q C 0.565 176.605 176.000 0.067 0.000 0.888 182 Q CA -0.035 55.838 55.803 0.116 0.000 0.934 182 Q CB 0.634 29.425 28.738 0.089 0.000 1.093 182 Q HN 0.323 nan 8.270 nan 0.000 0.523 183 L N 2.096 123.325 121.223 0.010 0.000 2.485 183 L HA -0.052 4.288 4.340 0.000 0.000 0.275 183 L C 1.235 178.139 176.870 0.057 0.000 1.207 183 L CA 0.570 55.365 54.840 -0.075 0.000 0.855 183 L CB 0.391 42.276 42.059 -0.291 0.000 1.114 183 L HN 0.203 nan 8.230 nan 0.000 0.485 184 E N 1.556 121.714 120.200 -0.069 0.000 2.511 184 E HA 0.142 4.493 4.350 0.000 0.000 0.209 184 E C -0.459 176.064 176.600 -0.129 0.000 0.986 184 E CA 0.027 56.448 56.400 0.034 0.000 0.974 184 E CB 0.858 30.581 29.700 0.039 0.000 1.030 184 E HN 0.576 nan 8.360 nan 0.000 0.490 185 E N 1.114 121.000 120.200 -0.524 0.000 2.393 185 E HA 0.278 4.628 4.350 0.000 0.000 0.273 185 E C -0.941 175.025 176.600 -1.056 0.000 0.918 185 E CA -1.128 54.931 56.400 -0.568 0.000 0.773 185 E CB 2.250 31.790 29.700 -0.266 0.000 1.275 185 E HN -0.075 nan 8.360 nan 0.000 0.451 186 L N 3.184 123.960 121.223 -0.745 0.000 2.433 186 L HA 0.235 4.575 4.340 0.000 0.000 0.275 186 L C -2.325 174.313 176.870 -0.387 0.000 1.128 186 L CA -1.005 53.451 54.840 -0.640 0.000 0.875 186 L CB -0.069 42.023 42.059 0.055 0.000 1.171 186 L HN 0.206 nan 8.230 nan 0.000 0.463 187 P HA 0.180 nan 4.420 nan 0.000 0.271 187 P C 0.602 177.828 177.300 -0.124 0.000 1.216 187 P CA -0.090 62.876 63.100 -0.223 0.000 0.771 187 P CB 0.992 32.576 31.700 -0.194 0.000 0.864 188 G N 2.345 111.090 108.800 -0.091 0.000 2.394 188 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 188 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 188 G C 0.555 175.430 174.900 -0.043 0.000 1.165 188 G CA 0.549 45.617 45.100 -0.053 0.000 0.784 188 G HN 0.477 nan 8.290 nan 0.000 0.535 189 R N 0.287 120.754 120.500 -0.054 0.000 2.502 189 R HA 0.510 4.850 4.340 0.000 0.000 0.300 189 R C -1.134 175.130 176.300 -0.060 0.000 0.984 189 R CA -0.294 55.777 56.100 -0.048 0.000 0.882 189 R CB 1.551 31.823 30.300 -0.046 0.000 1.180 189 R HN 0.155 nan 8.270 nan 0.000 0.444 190 S N 1.778 117.446 115.700 -0.053 0.000 2.536 190 S HA 0.746 5.216 4.470 0.000 0.000 0.287 190 S C -1.069 173.488 174.600 -0.072 0.000 1.101 190 S CA -0.793 57.370 58.200 -0.063 0.000 0.950 190 S CB 2.042 65.219 63.200 -0.038 0.000 1.056 190 S HN 0.238 nan 8.310 nan 0.000 0.481 191 V N 3.079 122.929 119.914 -0.106 0.000 2.483 191 V HA 0.509 4.629 4.120 0.000 0.000 0.297 191 V C -0.797 175.199 176.094 -0.162 0.000 1.027 191 V CA -0.556 61.669 62.300 -0.125 0.000 0.855 191 V CB 1.245 32.981 31.823 -0.146 0.000 0.995 191 V HN 0.925 nan 8.190 nan 0.000 0.424 192 I N 4.865 125.357 120.570 -0.129 0.000 2.404 192 I HA 0.487 4.657 4.170 0.000 0.000 0.293 192 I C -0.418 175.627 176.117 -0.121 0.000 0.992 192 I CA -0.686 60.533 61.300 -0.135 0.000 1.149 192 I CB 2.086 40.028 38.000 -0.096 0.000 1.315 192 I HN 0.283 nan 8.210 nan 0.000 0.446 193 V N 5.535 125.373 119.914 -0.126 0.000 2.347 193 V HA 0.926 5.046 4.120 0.000 0.000 0.280 193 V C 0.377 176.497 176.094 0.043 0.000 1.021 193 V CA -0.286 61.991 62.300 -0.038 0.000 0.847 193 V CB 0.609 32.421 31.823 -0.020 0.000 0.990 193 V HN 1.043 nan 8.190 nan 0.000 0.444 194 G N 3.695 112.511 108.800 0.028 0.000 2.333 194 G HA2 0.507 4.468 3.960 0.000 0.000 0.330 194 G HA3 0.507 4.468 3.960 0.000 0.000 0.330 194 G C -0.363 174.536 174.900 -0.002 0.000 1.465 194 G CA 0.042 45.160 45.100 0.031 0.000 0.996 194 G HN 1.195 nan 8.290 nan 0.000 0.655 195 A N -0.473 122.348 122.820 0.001 0.000 2.635 195 A HA 0.776 5.096 4.320 0.000 0.000 0.279 195 A C 1.115 178.683 177.584 -0.026 0.000 1.122 195 A CA 1.294 53.319 52.037 -0.019 0.000 0.965 195 A CB 0.052 19.048 19.000 -0.007 0.000 1.221 195 A HN 2.096 nan 8.150 nan 0.000 0.566 196 G N -1.436 107.357 108.800 -0.011 0.000 2.557 196 G HA2 0.352 4.312 3.960 0.000 0.000 0.292 196 G HA3 0.352 4.312 3.960 0.000 0.000 0.292 196 G C 0.685 175.581 174.900 -0.008 0.000 1.237 196 G CA 0.072 45.186 45.100 0.023 0.000 0.978 196 G HN 0.625 nan 8.290 nan 0.000 0.498 197 Y N -0.888 119.393 120.300 -0.031 0.000 2.207 197 Y HA -0.125 4.425 4.550 0.000 0.000 0.287 197 Y C 2.273 178.162 175.900 -0.020 0.000 1.156 197 Y CA 1.555 59.626 58.100 -0.048 0.000 1.182 197 Y CB -0.370 38.095 38.460 0.008 0.000 0.979 197 Y HN 0.226 nan 8.280 nan 0.000 0.521 198 I N 1.064 121.188 120.570 -0.742 0.000 2.226 198 I HA -0.275 3.895 4.170 0.000 0.000 0.245 198 I C 2.878 178.834 176.117 -0.269 0.000 1.100 198 I CA 1.196 62.146 61.300 -0.584 0.000 1.374 198 I CB -0.730 36.932 38.000 -0.563 0.000 1.057 198 I HN 0.464 nan 8.210 nan 0.000 0.413 199 A N 0.532 123.238 122.820 -0.189 0.000 1.865 199 A HA -0.177 4.143 4.320 0.000 0.000 0.217 199 A C 2.439 179.968 177.584 -0.092 0.000 1.191 199 A CA 1.943 53.908 52.037 -0.119 0.000 0.623 199 A CB -1.072 17.883 19.000 -0.075 0.000 0.826 199 A HN 0.227 nan 8.150 nan 0.000 0.444 200 V N 0.176 120.048 119.914 -0.070 0.000 2.287 200 V HA -0.301 3.819 4.120 0.000 0.000 0.248 200 V C 2.471 178.571 176.094 0.009 0.000 1.053 200 V CA 2.438 64.719 62.300 -0.032 0.000 1.027 200 V CB -0.879 30.920 31.823 -0.041 0.000 0.646 200 V HN 0.649 nan 8.190 nan 0.000 0.447 201 E N -0.539 119.664 120.200 0.005 0.000 2.047 201 E HA -0.185 4.165 4.350 0.000 0.000 0.191 201 E C 2.328 178.935 176.600 0.011 0.000 0.987 201 E CA 1.379 57.817 56.400 0.064 0.000 0.799 201 E CB -0.195 29.558 29.700 0.088 0.000 0.752 201 E HN 0.478 nan 8.360 nan 0.000 0.449 202 M N 0.504 120.025 119.600 -0.132 0.000 2.086 202 M HA -0.122 4.358 4.480 0.000 0.000 0.261 202 M C 2.595 178.843 176.300 -0.087 0.000 1.067 202 M CA 1.298 56.443 55.300 -0.257 0.000 1.116 202 M CB -0.878 31.475 32.600 -0.412 0.000 1.348 202 M HN 0.092 nan 8.290 nan 0.000 0.407 203 A N 0.886 123.679 122.820 -0.045 0.000 1.908 203 A HA -0.055 4.265 4.320 0.000 0.000 0.218 203 A C 2.471 180.086 177.584 0.050 0.000 1.181 203 A CA 2.120 54.157 52.037 -0.001 0.000 0.627 203 A CB -1.514 17.479 19.000 -0.012 0.000 0.818 203 A HN 0.553 nan 8.150 nan 0.000 0.445 204 G N -0.309 108.560 108.800 0.115 0.000 2.408 204 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 204 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 204 G C 1.516 176.508 174.900 0.154 0.000 1.150 204 G CA 1.081 46.307 45.100 0.211 0.000 0.776 204 G HN 0.481 nan 8.290 nan 0.000 0.542 205 I N 0.130 120.828 120.570 0.214 0.000 2.233 205 I HA -0.064 4.106 4.170 0.000 0.000 0.243 205 I C 2.703 178.906 176.117 0.144 0.000 1.093 205 I CA 0.562 61.979 61.300 0.195 0.000 1.380 205 I CB -0.175 37.982 38.000 0.261 0.000 1.067 205 I HN 0.104 nan 8.210 nan 0.000 0.413 206 L N -0.335 120.998 121.223 0.183 0.000 2.017 206 L HA -0.250 4.090 4.340 0.000 0.000 0.208 206 L C 2.748 179.670 176.870 0.086 0.000 1.073 206 L CA 1.528 56.485 54.840 0.194 0.000 0.745 206 L CB -0.580 41.586 42.059 0.178 0.000 0.894 206 L HN 0.240 nan 8.230 nan 0.000 0.432 207 S N -0.512 115.210 115.700 0.037 0.000 2.356 207 S HA -0.193 4.277 4.470 0.000 0.000 0.223 207 S C 2.106 176.683 174.600 -0.039 0.000 1.032 207 S CA 1.306 59.504 58.200 -0.004 0.000 1.005 207 S CB -0.143 63.048 63.200 -0.016 0.000 0.867 207 S HN 0.447 nan 8.310 nan 0.000 0.449 208 A N 0.981 123.736 122.820 -0.109 0.000 1.972 208 A HA 0.098 4.418 4.320 0.000 0.000 0.219 208 A C 1.993 179.488 177.584 -0.149 0.000 1.169 208 A CA 1.195 53.123 52.037 -0.182 0.000 0.635 208 A CB -0.591 18.184 19.000 -0.374 0.000 0.810 208 A HN 0.589 nan 8.150 nan 0.000 0.446 209 L N -1.639 119.502 121.223 -0.137 0.000 2.599 209 L HA 0.218 4.559 4.340 0.000 0.000 0.230 209 L C 1.613 178.477 176.870 -0.010 0.000 1.141 209 L CA 0.574 55.294 54.840 -0.200 0.000 0.877 209 L CB -0.075 41.822 42.059 -0.271 0.000 1.009 209 L HN 0.578 nan 8.230 nan 0.000 0.447 210 G N -0.803 108.012 108.800 0.025 0.000 2.184 210 G HA2 -0.238 3.723 3.960 0.000 0.000 0.206 210 G HA3 -0.238 3.723 3.960 0.000 0.000 0.206 210 G C 0.313 175.244 174.900 0.052 0.000 0.995 210 G CA 0.134 45.268 45.100 0.057 0.000 0.651 210 G HN 0.228 nan 8.290 nan 0.000 0.511 211 S N -0.029 115.702 115.700 0.051 0.000 2.580 211 S HA 0.493 4.963 4.470 0.000 0.000 0.274 211 S C 0.575 175.180 174.600 0.009 0.000 1.329 211 S CA 0.152 58.367 58.200 0.025 0.000 1.036 211 S CB 0.873 64.089 63.200 0.027 0.000 0.919 211 S HN 0.573 nan 8.310 nan 0.000 0.515 212 K N 3.282 123.679 120.400 -0.005 0.000 2.292 212 K HA 0.235 4.556 4.320 0.000 0.000 0.290 212 K C -0.748 175.841 176.600 -0.017 0.000 1.083 212 K CA -0.004 56.277 56.287 -0.011 0.000 0.918 212 K CB -0.043 32.448 32.500 -0.015 0.000 1.089 212 K HN 0.504 nan 8.250 nan 0.000 0.473 213 T N 2.557 117.102 114.554 -0.015 0.000 2.823 213 T HA 0.360 4.710 4.350 0.000 0.000 0.279 213 T C -0.795 173.890 174.700 -0.026 0.000 0.998 213 T CA -0.732 61.356 62.100 -0.019 0.000 0.994 213 T CB 1.609 70.472 68.868 -0.007 0.000 0.960 213 T HN 0.448 nan 8.240 nan 0.000 0.448 214 S N 2.018 117.696 115.700 -0.037 0.000 2.513 214 S HA 0.663 5.133 4.470 0.000 0.000 0.299 214 S C -1.154 173.417 174.600 -0.048 0.000 1.087 214 S CA -0.715 57.461 58.200 -0.040 0.000 1.012 214 S CB 1.357 64.531 63.200 -0.044 0.000 1.044 214 S HN 0.566 nan 8.310 nan 0.000 0.485 215 L N 3.528 124.725 121.223 -0.043 0.000 2.319 215 L HA 0.608 4.948 4.340 0.000 0.000 0.281 215 L C -0.755 176.087 176.870 -0.047 0.000 1.005 215 L CA -0.297 54.514 54.840 -0.048 0.000 0.828 215 L CB 1.221 43.255 42.059 -0.041 0.000 1.227 215 L HN 0.774 nan 8.230 nan 0.000 0.415 216 M N 7.413 126.983 119.600 -0.050 0.000 2.061 216 M HA 0.502 4.982 4.480 0.000 0.000 0.346 216 M C -1.061 175.220 176.300 -0.030 0.000 1.112 216 M CA -0.570 54.706 55.300 -0.040 0.000 1.021 216 M CB 0.604 33.179 32.600 -0.042 0.000 1.530 216 M HN 0.702 nan 8.290 nan 0.000 0.437 217 I N 1.603 122.143 120.570 -0.049 0.000 2.693 217 I HA 0.509 4.679 4.170 0.000 0.000 0.303 217 I C 0.274 176.334 176.117 -0.095 0.000 1.025 217 I CA -0.955 60.312 61.300 -0.056 0.000 1.086 217 I CB 2.011 39.966 38.000 -0.075 0.000 1.268 217 I HN 0.707 nan 8.210 nan 0.000 0.440 218 R N 1.654 122.117 120.500 -0.063 0.000 2.236 218 R HA 0.168 4.508 4.340 0.000 0.000 0.208 218 R C 0.507 176.512 176.300 -0.492 0.000 1.036 218 R CA 0.700 56.702 56.100 -0.164 0.000 1.001 218 R CB -0.222 30.021 30.300 -0.095 0.000 0.896 218 R HN 0.701 nan 8.270 nan 0.000 0.464 219 H N -0.482 118.358 119.070 -0.383 0.000 3.751 219 H HA 0.106 4.662 4.556 0.000 0.000 0.287 219 H C 0.337 175.015 175.328 -1.083 0.000 1.629 219 H CA -0.361 55.246 56.048 -0.734 0.000 1.526 219 H CB 0.522 30.123 29.762 -0.268 0.000 1.032 219 H HN 0.047 nan 8.280 nan 0.000 0.828 220 D N 0.014 120.083 120.400 -0.552 0.000 2.407 220 D HA 0.134 4.774 4.640 0.000 0.000 0.208 220 D C 0.042 176.252 176.300 -0.151 0.000 1.083 220 D CA 0.263 54.034 54.000 -0.382 0.000 0.844 220 D CB 1.099 41.850 40.800 -0.081 0.000 0.967 220 D HN 0.147 nan 8.370 nan 0.000 0.506 221 K N 0.296 120.630 120.400 -0.110 0.000 2.477 221 K HA 0.489 4.809 4.320 0.000 0.000 0.255 221 K C -0.503 176.053 176.600 -0.073 0.000 0.952 221 K CA -1.061 55.182 56.287 -0.073 0.000 0.826 221 K CB 3.379 35.849 32.500 -0.050 0.000 1.331 221 K HN -0.072 nan 8.250 nan 0.000 0.437 222 V N -0.647 119.221 119.914 -0.077 0.000 3.134 222 V HA 0.426 4.546 4.120 0.000 0.000 0.313 222 V C 0.491 176.515 176.094 -0.117 0.000 1.069 222 V CA -0.878 61.369 62.300 -0.088 0.000 1.048 222 V CB 0.282 32.047 31.823 -0.096 0.000 1.119 222 V HN 0.832 nan 8.190 nan 0.000 0.461 223 L N -0.661 120.477 121.223 -0.143 0.000 3.660 223 L HA -0.205 4.135 4.340 0.000 0.000 0.440 223 L C 1.824 178.678 176.870 -0.026 0.000 1.262 223 L CA 0.581 55.295 54.840 -0.211 0.000 0.837 223 L CB -1.356 40.313 42.059 -0.651 0.000 1.689 223 L HN 0.829 nan 8.230 nan 0.000 0.890 224 R N 0.410 120.910 120.500 -0.001 0.000 2.193 224 R HA -0.127 4.213 4.340 0.000 0.000 0.229 224 R C 2.164 178.498 176.300 0.057 0.000 1.110 224 R CA 1.552 57.651 56.100 -0.001 0.000 0.988 224 R CB -0.096 30.157 30.300 -0.079 0.000 0.871 224 R HN 0.760 nan 8.270 nan 0.000 0.458 225 S N -0.553 115.241 115.700 0.157 0.000 2.558 225 S HA 0.068 4.538 4.470 0.000 0.000 0.217 225 S C 0.467 175.157 174.600 0.150 0.000 0.975 225 S CA -0.240 58.040 58.200 0.133 0.000 0.912 225 S CB -0.002 63.264 63.200 0.110 0.000 0.776 225 S HN -0.048 nan 8.310 nan 0.000 0.526 226 F N 2.756 122.669 119.950 -0.063 0.000 2.362 226 F HA 0.388 4.915 4.527 0.000 0.000 0.311 226 F C 1.007 176.712 175.800 -0.158 0.000 1.161 226 F CA -1.974 55.971 58.000 -0.092 0.000 1.085 226 F CB 0.096 39.056 39.000 -0.067 0.000 1.311 226 F HN 0.078 nan 8.300 nan 0.000 0.524 227 D N 0.260 120.589 120.400 -0.119 0.000 2.472 227 D HA -0.078 4.562 4.640 0.000 0.000 0.237 227 D C 1.157 177.403 176.300 -0.089 0.000 1.141 227 D CA 0.437 54.277 54.000 -0.267 0.000 0.875 227 D CB 1.064 41.426 40.800 -0.732 0.000 1.192 227 D HN 0.619 nan 8.370 nan 0.000 0.450 228 S N 3.679 119.336 115.700 -0.071 0.000 2.442 228 S HA -0.254 4.216 4.470 0.000 0.000 0.236 228 S C 2.064 176.651 174.600 -0.021 0.000 1.007 228 S CA 0.930 59.112 58.200 -0.030 0.000 0.965 228 S CB -0.271 62.914 63.200 -0.024 0.000 0.773 228 S HN 0.716 nan 8.310 nan 0.000 0.504 229 M N 0.571 120.155 119.600 -0.026 0.000 2.159 229 M HA -0.042 4.438 4.480 0.000 0.000 0.263 229 M C 1.515 177.818 176.300 0.005 0.000 1.063 229 M CA 1.600 56.899 55.300 -0.002 0.000 1.110 229 M CB -0.206 32.404 32.600 0.016 0.000 1.374 229 M HN 0.285 nan 8.290 nan 0.000 0.411 230 I N 0.466 121.043 120.570 0.012 0.000 2.233 230 I HA -0.180 3.990 4.170 0.000 0.000 0.243 230 I C 2.748 178.854 176.117 -0.018 0.000 1.093 230 I CA 1.666 62.982 61.300 0.026 0.000 1.380 230 I CB -1.717 36.348 38.000 0.108 0.000 1.067 230 I HN 0.457 nan 8.210 nan 0.000 0.413 231 S N -0.057 115.632 115.700 -0.017 0.000 2.382 231 S HA -0.165 4.306 4.470 0.000 0.000 0.228 231 S C 2.007 176.582 174.600 -0.042 0.000 1.027 231 S CA 1.787 59.956 58.200 -0.051 0.000 0.991 231 S CB -1.036 62.138 63.200 -0.042 0.000 0.823 231 S HN 0.405 nan 8.310 nan 0.000 0.469 232 T N 2.495 117.036 114.554 -0.023 0.000 2.701 232 T HA -0.053 4.297 4.350 0.000 0.000 0.263 232 T C 1.852 176.543 174.700 -0.016 0.000 1.040 232 T CA 1.651 63.742 62.100 -0.015 0.000 1.147 232 T CB -0.781 68.084 68.868 -0.005 0.000 0.865 232 T HN 0.594 nan 8.240 nan 0.000 0.426 233 N N 0.171 118.864 118.700 -0.013 0.000 2.120 233 N HA -0.108 4.632 4.740 0.000 0.000 0.188 233 N C 2.065 177.564 175.510 -0.018 0.000 1.024 233 N CA 1.244 54.287 53.050 -0.011 0.000 0.852 233 N CB -0.662 37.821 38.487 -0.006 0.000 1.003 233 N HN 0.402 nan 8.380 nan 0.000 0.424 234 C N -0.455 118.825 119.300 -0.033 0.000 2.425 234 C HA -0.038 4.422 4.460 0.000 0.000 0.277 234 C C 2.495 177.464 174.990 -0.034 0.000 1.280 234 C CA 1.583 60.575 59.018 -0.043 0.000 1.744 234 C CB -1.525 26.160 27.740 -0.092 0.000 1.989 234 C HN 0.521 nan 8.230 nan 0.000 0.491 235 T N 0.503 115.034 114.554 -0.039 0.000 2.777 235 T HA -0.140 4.210 4.350 0.000 0.000 0.266 235 T C 1.587 176.276 174.700 -0.019 0.000 1.040 235 T CA 1.748 63.828 62.100 -0.033 0.000 1.141 235 T CB -0.326 68.520 68.868 -0.036 0.000 0.868 235 T HN 0.691 nan 8.240 nan 0.000 0.444 236 E N 0.861 121.053 120.200 -0.014 0.000 2.077 236 E HA -0.129 4.221 4.350 0.000 0.000 0.193 236 E C 2.449 179.046 176.600 -0.005 0.000 0.989 236 E CA 0.779 57.174 56.400 -0.008 0.000 0.800 236 E CB -0.055 29.641 29.700 -0.006 0.000 0.746 236 E HN 0.427 nan 8.360 nan 0.000 0.452 237 E N 0.799 120.999 120.200 -0.001 0.000 2.110 237 E HA -0.158 4.192 4.350 0.000 0.000 0.193 237 E C 2.292 178.902 176.600 0.016 0.000 0.988 237 E CA 0.642 57.049 56.400 0.010 0.000 0.804 237 E CB -0.150 29.564 29.700 0.024 0.000 0.745 237 E HN 0.306 nan 8.360 nan 0.000 0.458 238 L N 0.840 122.070 121.223 0.012 0.000 2.017 238 L HA -0.210 4.130 4.340 0.000 0.000 0.208 238 L C 2.407 179.277 176.870 0.000 0.000 1.073 238 L CA 1.361 56.209 54.840 0.013 0.000 0.745 238 L CB -0.331 41.729 42.059 0.002 0.000 0.894 238 L HN 0.105 nan 8.230 nan 0.000 0.432 239 E N -0.149 120.047 120.200 -0.005 0.000 2.077 239 E HA -0.199 4.151 4.350 0.000 0.000 0.193 239 E C 1.901 178.496 176.600 -0.010 0.000 0.989 239 E CA 1.147 57.542 56.400 -0.009 0.000 0.800 239 E CB -0.131 29.564 29.700 -0.008 0.000 0.746 239 E HN 0.466 nan 8.360 nan 0.000 0.452 240 N N 0.745 119.440 118.700 -0.009 0.000 2.289 240 N HA -0.121 4.619 4.740 0.000 0.000 0.184 240 N C 1.333 176.834 175.510 -0.015 0.000 1.016 240 N CA 1.146 54.189 53.050 -0.012 0.000 0.872 240 N CB -0.144 38.335 38.487 -0.012 0.000 0.973 240 N HN 0.103 nan 8.380 nan 0.000 0.433 241 A N -0.342 122.472 122.820 -0.010 0.000 2.278 241 A HA 0.452 4.772 4.320 0.000 0.000 0.212 241 A C 1.444 179.013 177.584 -0.026 0.000 1.213 241 A CA 0.669 52.696 52.037 -0.018 0.000 0.840 241 A CB -0.313 18.676 19.000 -0.018 0.000 0.866 241 A HN 0.314 nan 8.150 nan 0.000 0.489 242 G N -1.701 107.085 108.800 -0.022 0.000 2.157 242 G HA2 -0.188 3.772 3.960 0.000 0.000 0.239 242 G HA3 -0.188 3.772 3.960 0.000 0.000 0.239 242 G C 0.125 175.014 174.900 -0.019 0.000 0.982 242 G CA 0.036 45.122 45.100 -0.024 0.000 0.650 242 G HN 0.729 nan 8.290 nan 0.000 0.527 243 V N 1.291 121.196 119.914 -0.015 0.000 2.488 243 V HA 0.390 4.511 4.120 0.000 0.000 0.277 243 V C 0.797 176.882 176.094 -0.015 0.000 1.046 243 V CA -0.123 62.169 62.300 -0.013 0.000 0.986 243 V CB 1.689 33.507 31.823 -0.008 0.000 0.989 243 V HN 0.427 nan 8.190 nan 0.000 0.475 244 E N 4.567 124.756 120.200 -0.018 0.000 2.129 244 E HA 0.285 4.635 4.350 0.000 0.000 0.283 244 E C -1.045 175.542 176.600 -0.021 0.000 1.080 244 E CA -0.467 55.922 56.400 -0.018 0.000 0.867 244 E CB 1.107 30.796 29.700 -0.018 0.000 1.056 244 E HN 0.524 nan 8.360 nan 0.000 0.404 245 V N 7.025 126.927 119.914 -0.021 0.000 2.385 245 V HA 0.151 4.271 4.120 0.000 0.000 0.269 245 V C 0.289 176.368 176.094 -0.025 0.000 1.043 245 V CA -0.496 61.786 62.300 -0.029 0.000 0.906 245 V CB 0.817 32.621 31.823 -0.033 0.000 0.995 245 V HN 0.665 nan 8.190 nan 0.000 0.467 246 L N 6.496 127.701 121.223 -0.029 0.000 2.312 246 L HA 0.373 4.713 4.340 0.000 0.000 0.287 246 L C 0.526 177.375 176.870 -0.034 0.000 1.091 246 L CA -0.202 54.627 54.840 -0.018 0.000 0.846 246 L CB 0.122 42.171 42.059 -0.017 0.000 1.219 246 L HN 0.590 nan 8.230 nan 0.000 0.439 247 K N 3.060 123.443 120.400 -0.028 0.000 2.154 247 K HA 0.321 4.641 4.320 0.000 0.000 0.264 247 K C 0.096 176.679 176.600 -0.027 0.000 1.008 247 K CA -0.663 55.551 56.287 -0.122 0.000 0.937 247 K CB 0.512 32.934 32.500 -0.130 0.000 1.002 247 K HN 0.279 nan 8.250 nan 0.000 0.469 248 F N -0.164 119.766 119.950 -0.033 0.000 3.048 248 F HA -0.289 4.238 4.527 0.000 0.000 0.269 248 F C -0.212 175.556 175.800 -0.053 0.000 0.960 248 F CA 0.211 58.168 58.000 -0.072 0.000 0.909 248 F CB -1.634 37.332 39.000 -0.057 0.000 0.837 248 F HN 0.293 nan 8.300 nan 0.000 0.768 249 S N -0.374 115.352 115.700 0.043 0.000 2.566 249 S HA 0.807 5.277 4.470 0.000 0.000 0.298 249 S C -0.357 174.262 174.600 0.031 0.000 1.083 249 S CA -0.913 57.315 58.200 0.045 0.000 0.978 249 S CB 2.782 66.001 63.200 0.031 0.000 1.073 249 S HN 0.380 nan 8.310 nan 0.000 0.491 250 Q N -0.361 119.466 119.800 0.045 0.000 2.462 250 Q HA 0.685 5.025 4.340 0.000 0.000 0.285 250 Q C -1.715 174.332 176.000 0.078 0.000 1.035 250 Q CA -1.040 54.803 55.803 0.067 0.000 0.799 250 Q CB 1.091 29.871 28.738 0.070 0.000 1.452 250 Q HN 0.374 nan 8.270 nan 0.000 0.404 251 V N 2.219 122.208 119.914 0.125 0.000 2.583 251 V HA 0.148 4.268 4.120 0.000 0.000 0.287 251 V C 0.830 177.003 176.094 0.130 0.000 1.051 251 V CA 0.011 62.393 62.300 0.137 0.000 1.010 251 V CB 1.182 33.144 31.823 0.233 0.000 0.988 251 V HN 0.885 nan 8.190 nan 0.000 0.478 252 K N 2.792 123.249 120.400 0.094 0.000 2.350 252 K HA 0.224 4.545 4.320 0.000 0.000 0.196 252 K C 0.481 177.129 176.600 0.079 0.000 1.084 252 K CA 0.379 56.711 56.287 0.075 0.000 0.967 252 K CB 0.702 33.231 32.500 0.050 0.000 0.950 252 K HN 0.891 nan 8.250 nan 0.000 0.512 253 E N -0.194 120.056 120.200 0.084 0.000 2.388 253 E HA 0.234 4.584 4.350 0.000 0.000 0.280 253 E C -1.823 174.825 176.600 0.080 0.000 1.019 253 E CA -0.902 55.547 56.400 0.082 0.000 0.806 253 E CB 1.975 31.706 29.700 0.053 0.000 1.246 253 E HN -0.127 nan 8.360 nan 0.000 0.443 254 V N 2.322 122.289 119.914 0.088 0.000 2.656 254 V HA 0.611 4.731 4.120 0.000 0.000 0.307 254 V C -0.748 175.375 176.094 0.047 0.000 1.051 254 V CA -0.642 61.698 62.300 0.067 0.000 0.893 254 V CB 1.656 33.538 31.823 0.098 0.000 0.999 254 V HN 0.787 nan 8.190 nan 0.000 0.426 255 K N 2.013 122.428 120.400 0.025 0.000 2.502 255 K HA 0.740 5.060 4.320 0.000 0.000 0.257 255 K C -1.224 175.380 176.600 0.007 0.000 0.938 255 K CA -1.135 55.164 56.287 0.019 0.000 0.819 255 K CB 2.355 34.865 32.500 0.017 0.000 1.333 255 K HN 0.322 nan 8.250 nan 0.000 0.434 256 K N 2.337 122.741 120.400 0.007 0.000 2.284 256 K HA 0.145 4.465 4.320 0.000 0.000 0.287 256 K C -0.481 176.117 176.600 -0.003 0.000 1.081 256 K CA 0.014 56.300 56.287 -0.001 0.000 0.910 256 K CB 0.419 32.921 32.500 0.003 0.000 1.088 256 K HN 0.786 nan 8.250 nan 0.000 0.478 257 T N 0.444 114.993 114.554 -0.008 0.000 2.888 257 T HA 0.258 4.608 4.350 0.000 0.000 0.283 257 T C 1.468 176.162 174.700 -0.010 0.000 1.013 257 T CA -0.721 61.374 62.100 -0.008 0.000 0.938 257 T CB 0.277 69.139 68.868 -0.010 0.000 1.298 257 T HN 0.440 nan 8.240 nan 0.000 0.580 258 L N 0.074 121.291 121.223 -0.010 0.000 2.131 258 L HA 0.046 4.386 4.340 0.000 0.000 0.210 258 L C 0.776 177.638 176.870 -0.014 0.000 1.092 258 L CA 0.961 55.794 54.840 -0.011 0.000 0.759 258 L CB -0.199 41.854 42.059 -0.009 0.000 0.903 258 L HN 0.669 nan 8.230 nan 0.000 0.435 259 S N -0.351 115.339 115.700 -0.017 0.000 2.293 259 S HA 0.580 5.050 4.470 0.000 0.000 0.154 259 S C 0.103 174.687 174.600 -0.026 0.000 1.602 259 S CA -0.020 58.167 58.200 -0.021 0.000 1.260 259 S CB 1.244 64.432 63.200 -0.020 0.000 1.270 259 S HN 0.584 nan 8.310 nan 0.000 0.416 260 G N 1.895 110.678 108.800 -0.028 0.000 2.445 260 G HA2 -0.125 3.835 3.960 0.000 0.000 0.212 260 G HA3 -0.125 3.835 3.960 0.000 0.000 0.212 260 G C -1.164 173.719 174.900 -0.030 0.000 1.217 260 G CA -0.799 44.280 45.100 -0.034 0.000 1.002 260 G HN 0.571 nan 8.290 nan 0.000 0.574 261 L N 0.298 121.499 121.223 -0.036 0.000 2.322 261 L HA 0.808 5.148 4.340 0.000 0.000 0.269 261 L C 0.118 176.969 176.870 -0.031 0.000 1.012 261 L CA -0.750 54.071 54.840 -0.033 0.000 0.815 261 L CB 2.048 44.080 42.059 -0.044 0.000 1.295 261 L HN 0.774 nan 8.230 nan 0.000 0.438 262 E N 0.807 120.993 120.200 -0.022 0.000 2.216 262 E HA 0.470 4.820 4.350 0.000 0.000 0.260 262 E C -1.719 174.872 176.600 -0.016 0.000 0.880 262 E CA -0.558 55.831 56.400 -0.019 0.000 0.765 262 E CB 2.012 31.707 29.700 -0.009 0.000 1.174 262 E HN 0.291 nan 8.360 nan 0.000 0.417 263 V N 3.519 123.418 119.914 -0.025 0.000 2.370 263 V HA 0.310 4.430 4.120 0.000 0.000 0.279 263 V C -0.120 175.970 176.094 -0.006 0.000 1.029 263 V CA -0.621 61.665 62.300 -0.022 0.000 0.870 263 V CB 1.627 33.416 31.823 -0.055 0.000 0.984 263 V HN 0.651 nan 8.190 nan 0.000 0.451 264 S N 6.983 122.690 115.700 0.012 0.000 2.438 264 S HA 0.723 5.193 4.470 0.000 0.000 0.293 264 S C -0.208 174.406 174.600 0.024 0.000 1.141 264 S CA -0.548 57.662 58.200 0.017 0.000 1.080 264 S CB 0.625 63.840 63.200 0.024 0.000 0.978 264 S HN 0.775 nan 8.310 nan 0.000 0.479 265 M N 1.989 121.600 119.600 0.018 0.000 2.619 265 M HA 0.787 5.267 4.480 0.000 0.000 0.297 265 M C -1.593 174.723 176.300 0.025 0.000 1.229 265 M CA -0.958 54.357 55.300 0.025 0.000 0.860 265 M CB 1.608 34.219 32.600 0.018 0.000 1.741 265 M HN 0.176 nan 8.290 nan 0.000 0.462 266 V N 1.508 121.442 119.914 0.032 0.000 2.398 266 V HA 0.502 4.622 4.120 0.000 0.000 0.286 266 V C -0.379 175.738 176.094 0.039 0.000 1.026 266 V CA -0.315 62.004 62.300 0.030 0.000 0.868 266 V CB 1.739 33.580 31.823 0.029 0.000 0.982 266 V HN 0.996 nan 8.190 nan 0.000 0.443 267 T N 4.449 119.026 114.554 0.039 0.000 2.758 267 T HA 0.648 4.998 4.350 0.000 0.000 0.285 267 T C 0.075 174.802 174.700 0.045 0.000 0.981 267 T CA -0.241 61.895 62.100 0.061 0.000 0.965 267 T CB 1.404 70.306 68.868 0.057 0.000 0.927 267 T HN 0.838 nan 8.240 nan 0.000 0.448 268 A N 3.740 126.597 122.820 0.062 0.000 3.030 268 A HA 0.586 4.906 4.320 0.000 0.000 0.335 268 A C 0.050 177.548 177.584 -0.144 0.000 1.089 268 A CA -0.552 51.474 52.037 -0.019 0.000 0.807 268 A CB 0.168 19.160 19.000 -0.013 0.000 1.099 268 A HN 0.676 nan 8.150 nan 0.000 0.474 269 V N 2.746 122.539 119.914 -0.201 0.000 2.655 269 V HA 0.152 4.272 4.120 0.000 0.000 0.300 269 V C -2.010 173.810 176.094 -0.457 0.000 1.044 269 V CA -0.668 61.340 62.300 -0.487 0.000 1.095 269 V CB 0.794 32.483 31.823 -0.223 0.000 0.952 269 V HN 0.636 nan 8.190 nan 0.000 0.485 270 P HA 0.355 nan 4.420 nan 0.000 0.276 270 P C 0.630 177.801 177.300 -0.215 0.000 1.235 270 P CA 0.696 63.589 63.100 -0.345 0.000 0.772 270 P CB 0.958 32.471 31.700 -0.312 0.000 0.871 271 G N 1.379 110.096 108.800 -0.137 0.000 2.130 271 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 271 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 271 G C 0.088 174.941 174.900 -0.079 0.000 0.999 271 G CA -0.280 44.766 45.100 -0.089 0.000 0.686 271 G HN 0.691 nan 8.290 nan 0.000 0.515 272 R N -1.410 119.036 120.500 -0.089 0.000 2.752 272 R HA 0.732 5.072 4.340 0.000 0.000 0.271 272 R C -0.272 175.993 176.300 -0.058 0.000 1.026 272 R CA -0.927 55.132 56.100 -0.068 0.000 0.901 272 R CB 0.901 31.152 30.300 -0.081 0.000 1.243 272 R HN 0.114 nan 8.270 nan 0.000 0.463 273 L N 2.908 124.107 121.223 -0.040 0.000 2.395 273 L HA 0.463 4.803 4.340 0.000 0.000 0.269 273 L C -1.798 175.055 176.870 -0.028 0.000 1.133 273 L CA -1.888 52.933 54.840 -0.031 0.000 0.812 273 L CB 0.792 42.839 42.059 -0.021 0.000 1.125 273 L HN 0.488 nan 8.230 nan 0.000 0.452 274 P HA 0.094 nan 4.420 nan 0.000 0.269 274 P C -0.957 176.340 177.300 -0.005 0.000 1.209 274 P CA -0.088 63.004 63.100 -0.013 0.000 0.776 274 P CB 1.180 32.876 31.700 -0.008 0.000 0.876 275 V N 3.772 123.688 119.914 0.002 0.000 2.686 275 V HA 0.464 4.584 4.120 0.000 0.000 0.306 275 V C -0.906 175.194 176.094 0.010 0.000 1.065 275 V CA -0.871 61.432 62.300 0.004 0.000 0.894 275 V CB 1.891 33.717 31.823 0.003 0.000 1.004 275 V HN 0.392 nan 8.190 nan 0.000 0.424 276 M N 4.796 124.401 119.600 0.009 0.000 2.264 276 M HA 0.540 5.020 4.480 0.000 0.000 0.352 276 M C -0.518 175.787 176.300 0.009 0.000 1.173 276 M CA -0.105 55.202 55.300 0.011 0.000 1.075 276 M CB 1.828 34.434 32.600 0.010 0.000 1.621 276 M HN 0.803 nan 8.290 nan 0.000 0.457 277 T N 3.266 117.826 114.554 0.009 0.000 2.900 277 T HA 0.583 4.933 4.350 0.000 0.000 0.295 277 T C -0.878 173.824 174.700 0.003 0.000 1.044 277 T CA -0.674 61.429 62.100 0.005 0.000 0.995 277 T CB 1.959 70.830 68.868 0.005 0.000 1.072 277 T HN 0.496 nan 8.240 nan 0.000 0.473 278 M N 2.461 122.061 119.600 -0.000 0.000 2.336 278 M HA 0.573 5.054 4.480 0.000 0.000 0.342 278 M C -1.063 175.231 176.300 -0.009 0.000 1.128 278 M CA -0.775 54.523 55.300 -0.003 0.000 1.016 278 M CB 0.861 33.459 32.600 -0.003 0.000 1.665 278 M HN 0.490 nan 8.290 nan 0.000 0.445 279 I N 6.330 126.891 120.570 -0.015 0.000 2.355 279 I HA 0.452 4.622 4.170 0.000 0.000 0.288 279 I C -2.283 173.818 176.117 -0.026 0.000 0.999 279 I CA -1.688 59.598 61.300 -0.023 0.000 1.163 279 I CB 1.518 39.498 38.000 -0.033 0.000 1.316 279 I HN 0.437 nan 8.210 nan 0.000 0.454 280 P HA 0.323 nan 4.420 nan 0.000 0.285 280 P C -0.941 176.342 177.300 -0.028 0.000 1.280 280 P CA -0.286 62.800 63.100 -0.023 0.000 0.862 280 P CB 1.006 32.695 31.700 -0.018 0.000 1.153 281 D N -1.845 118.538 120.400 -0.028 0.000 2.772 281 D HA -0.101 4.539 4.640 0.000 0.000 0.233 281 D C -0.404 175.872 176.300 -0.040 0.000 1.143 281 D CA 0.674 54.655 54.000 -0.031 0.000 0.700 281 D CB -1.905 38.879 40.800 -0.027 0.000 1.076 281 D HN 0.067 nan 8.370 nan 0.000 0.430 282 V N 1.107 120.993 119.914 -0.047 0.000 2.461 282 V HA 0.066 4.187 4.120 0.000 0.000 0.275 282 V C 1.480 177.534 176.094 -0.066 0.000 1.047 282 V CA -0.127 62.136 62.300 -0.061 0.000 0.955 282 V CB 1.699 33.478 31.823 -0.073 0.000 0.988 282 V HN 0.026 nan 8.190 nan 0.000 0.471 283 D N 1.992 122.349 120.400 -0.073 0.000 2.201 283 D HA 0.027 4.667 4.640 0.000 0.000 0.209 283 D C 0.570 176.815 176.300 -0.092 0.000 0.961 283 D CA 0.916 54.868 54.000 -0.081 0.000 0.861 283 D CB 0.506 41.251 40.800 -0.092 0.000 0.997 283 D HN 0.550 nan 8.370 nan 0.000 0.486 284 C N 1.668 120.909 119.300 -0.099 0.000 2.397 284 C HA 0.592 5.052 4.460 0.000 0.000 0.325 284 C C -1.159 173.751 174.990 -0.133 0.000 1.201 284 C CA -0.910 58.045 59.018 -0.105 0.000 1.377 284 C CB -0.219 27.464 27.740 -0.096 0.000 2.038 284 C HN 0.141 nan 8.230 nan 0.000 0.457 285 L N 7.096 128.213 121.223 -0.175 0.000 2.298 285 L HA 0.695 5.035 4.340 0.000 0.000 0.284 285 L C -1.018 175.639 176.870 -0.356 0.000 1.013 285 L CA -0.152 54.506 54.840 -0.302 0.000 0.824 285 L CB 1.187 43.027 42.059 -0.364 0.000 1.221 285 L HN 0.782 nan 8.230 nan 0.000 0.418 286 L N 5.621 126.638 121.223 -0.343 0.000 2.316 286 L HA 0.475 4.815 4.340 0.000 0.000 0.280 286 L C -1.281 175.437 176.870 -0.254 0.000 1.006 286 L CA -0.457 54.246 54.840 -0.229 0.000 0.836 286 L CB 0.876 42.871 42.059 -0.107 0.000 1.221 286 L HN 0.696 nan 8.230 nan 0.000 0.418 287 W N 4.898 126.183 121.300 -0.024 0.000 2.388 287 W HA 0.481 5.141 4.660 0.000 0.000 0.308 287 W C 0.423 176.918 176.519 -0.041 0.000 1.263 287 W CA -0.572 56.756 57.345 -0.028 0.000 1.286 287 W CB 1.195 30.641 29.460 -0.023 0.000 1.294 287 W HN 0.581 nan 8.180 nan 0.000 0.493 288 A N 5.320 128.240 122.820 0.166 0.000 3.253 288 A HA 0.264 4.584 4.320 0.000 0.000 0.290 288 A C 0.600 178.224 177.584 0.066 0.000 0.950 288 A CA -0.440 51.631 52.037 0.057 0.000 0.986 288 A CB -0.651 18.327 19.000 -0.037 0.000 1.104 288 A HN 0.798 nan 8.150 nan 0.000 0.481 289 I N -3.732 116.906 120.570 0.114 0.000 3.645 289 I HA 0.591 4.761 4.170 0.000 0.000 0.300 289 I C 0.716 176.867 176.117 0.057 0.000 1.260 289 I CA 0.406 61.761 61.300 0.093 0.000 1.365 289 I CB 0.527 38.595 38.000 0.113 0.000 1.077 289 I HN 0.395 nan 8.210 nan 0.000 0.439 290 G N 1.200 110.028 108.800 0.046 0.000 2.324 290 G HA2 0.369 4.329 3.960 0.000 0.000 0.293 290 G HA3 0.369 4.329 3.960 0.000 0.000 0.293 290 G C -1.689 173.238 174.900 0.045 0.000 1.297 290 G CA -1.024 44.105 45.100 0.048 0.000 0.853 290 G HN 0.100 nan 8.290 nan 0.000 0.535 291 R N -0.977 119.562 120.500 0.065 0.000 2.744 291 R HA 0.756 5.096 4.340 0.000 0.000 0.279 291 R C -1.161 175.179 176.300 0.066 0.000 0.977 291 R CA -0.773 55.366 56.100 0.065 0.000 0.906 291 R CB 2.205 32.558 30.300 0.088 0.000 1.197 291 R HN 0.863 nan 8.270 nan 0.000 0.463 292 V N 2.759 122.693 119.914 0.033 0.000 2.715 292 V HA 0.589 4.709 4.120 0.000 0.000 0.310 292 V C -2.322 173.768 176.094 -0.008 0.000 1.054 292 V CA -2.554 59.740 62.300 -0.010 0.000 0.928 292 V CB 2.376 34.182 31.823 -0.028 0.000 1.007 292 V HN 0.589 nan 8.190 nan 0.000 0.437 293 P HA 0.209 nan 4.420 nan 0.000 0.278 293 P C -1.044 176.256 177.300 0.001 0.000 1.238 293 P CA -0.331 62.765 63.100 -0.007 0.000 0.794 293 P CB 0.523 32.199 31.700 -0.041 0.000 0.955 294 N N 1.531 120.252 118.700 0.036 0.000 2.868 294 N HA 0.111 4.851 4.740 0.000 0.000 0.252 294 N C 0.396 175.942 175.510 0.059 0.000 1.130 294 N CA 0.125 53.202 53.050 0.044 0.000 1.026 294 N CB -0.281 38.235 38.487 0.049 0.000 1.335 294 N HN 0.397 nan 8.380 nan 0.000 0.516 295 T N -1.951 112.635 114.554 0.053 0.000 3.009 295 T HA 0.123 4.473 4.350 0.000 0.000 0.267 295 T C 1.484 176.231 174.700 0.078 0.000 0.942 295 T CA -0.253 61.889 62.100 0.070 0.000 0.883 295 T CB 0.266 69.166 68.868 0.053 0.000 1.192 295 T HN 0.082 nan 8.240 nan 0.000 0.524 296 K N 1.938 122.376 120.400 0.062 0.000 2.074 296 K HA -0.133 4.187 4.320 0.000 0.000 0.209 296 K C 0.595 177.246 176.600 0.086 0.000 1.048 296 K CA 1.635 57.956 56.287 0.057 0.000 0.926 296 K CB -0.351 32.173 32.500 0.040 0.000 0.713 296 K HN 0.398 nan 8.250 nan 0.000 0.444 297 D N 0.363 120.840 120.400 0.128 0.000 2.388 297 D HA 0.051 4.691 4.640 0.000 0.000 0.221 297 D C 1.206 177.661 176.300 0.258 0.000 1.133 297 D CA -0.025 54.079 54.000 0.172 0.000 0.831 297 D CB 0.411 41.288 40.800 0.127 0.000 0.962 297 D HN 0.193 nan 8.370 nan 0.000 0.502 298 L N -0.062 121.275 121.223 0.191 0.000 2.509 298 L HA -0.021 4.320 4.340 0.000 0.000 0.222 298 L C 0.546 177.572 176.870 0.261 0.000 1.123 298 L CA 0.243 55.194 54.840 0.185 0.000 0.856 298 L CB 0.022 42.204 42.059 0.204 0.000 0.985 298 L HN -0.117 nan 8.230 nan 0.000 0.456 299 S N -0.215 115.606 115.700 0.201 0.000 3.698 299 S HA -0.181 4.289 4.470 0.000 0.000 0.338 299 S C 1.226 175.934 174.600 0.180 0.000 1.089 299 S CA 0.239 58.547 58.200 0.180 0.000 0.991 299 S CB -1.787 61.518 63.200 0.176 0.000 0.909 299 S HN 0.349 nan 8.310 nan 0.000 0.485 300 L N 1.386 122.692 121.223 0.139 0.000 2.079 300 L HA -0.212 4.128 4.340 0.000 0.000 0.210 300 L C 2.535 179.372 176.870 -0.055 0.000 1.081 300 L CA 2.001 56.844 54.840 0.005 0.000 0.752 300 L CB -0.639 41.425 42.059 0.008 0.000 0.896 300 L HN 0.736 nan 8.230 nan 0.000 0.433 301 N N 0.516 119.214 118.700 -0.004 0.000 2.453 301 N HA -0.206 4.534 4.740 0.000 0.000 0.183 301 N C 1.399 176.898 175.510 -0.018 0.000 1.041 301 N CA 0.868 53.909 53.050 -0.015 0.000 0.900 301 N CB -0.188 38.302 38.487 0.005 0.000 0.961 301 N HN 0.434 nan 8.380 nan 0.000 0.443 302 K N 0.280 120.678 120.400 -0.002 0.000 2.365 302 K HA 0.127 4.447 4.320 0.000 0.000 0.199 302 K C 1.512 178.089 176.600 -0.038 0.000 1.045 302 K CA 0.518 56.809 56.287 0.005 0.000 0.962 302 K CB 0.191 32.724 32.500 0.056 0.000 0.759 302 K HN 0.229 nan 8.250 nan 0.000 0.469 303 L N -0.941 120.215 121.223 -0.111 0.000 2.731 303 L HA 0.207 4.547 4.340 0.000 0.000 0.240 303 L C 0.770 177.560 176.870 -0.134 0.000 1.120 303 L CA -0.052 54.691 54.840 -0.162 0.000 0.913 303 L CB 0.701 42.559 42.059 -0.336 0.000 1.213 303 L HN 0.290 nan 8.230 nan 0.000 0.515 304 G N 1.737 110.476 108.800 -0.103 0.000 2.221 304 G HA2 -0.289 3.672 3.960 0.000 0.000 0.265 304 G HA3 -0.289 3.672 3.960 0.000 0.000 0.265 304 G C 0.157 175.002 174.900 -0.091 0.000 1.041 304 G CA -0.083 44.972 45.100 -0.076 0.000 0.807 304 G HN 0.287 nan 8.290 nan 0.000 0.502 305 I N 0.460 120.954 120.570 -0.127 0.000 2.556 305 I HA 0.108 4.279 4.170 0.000 0.000 0.284 305 I C 1.199 177.278 176.117 -0.063 0.000 1.114 305 I CA 0.053 61.280 61.300 -0.121 0.000 1.418 305 I CB 0.728 38.617 38.000 -0.184 0.000 1.394 305 I HN 0.223 nan 8.210 nan 0.000 0.552 306 Q N 4.725 124.500 119.800 -0.042 0.000 2.314 306 Q HA 0.258 4.598 4.340 0.000 0.000 0.258 306 Q C -0.091 175.910 176.000 0.001 0.000 0.954 306 Q CA -0.049 55.743 55.803 -0.017 0.000 0.890 306 Q CB 1.185 29.917 28.738 -0.010 0.000 1.210 306 Q HN 0.747 nan 8.270 nan 0.000 0.410 307 T N -1.605 112.954 114.554 0.009 0.000 2.907 307 T HA 0.442 4.792 4.350 0.000 0.000 0.290 307 T C -0.529 174.189 174.700 0.030 0.000 1.066 307 T CA -1.102 61.014 62.100 0.027 0.000 1.012 307 T CB 1.497 70.376 68.868 0.019 0.000 1.184 307 T HN 0.567 nan 8.240 nan 0.000 0.522 308 D N -0.356 120.076 120.400 0.053 0.000 2.511 308 D HA 0.225 4.865 4.640 0.000 0.000 0.276 308 D C 0.696 177.012 176.300 0.028 0.000 1.220 308 D CA -0.504 53.528 54.000 0.053 0.000 1.077 308 D CB 0.053 40.914 40.800 0.101 0.000 1.126 308 D HN 0.594 nan 8.370 nan 0.000 0.583 309 D N -1.304 119.112 120.400 0.026 0.000 2.347 309 D HA -0.114 4.526 4.640 0.000 0.000 0.215 309 D C 0.895 177.184 176.300 -0.018 0.000 0.976 309 D CA 0.613 54.616 54.000 0.004 0.000 0.884 309 D CB -0.098 40.705 40.800 0.004 0.000 0.915 309 D HN 0.149 nan 8.370 nan 0.000 0.526 310 K N -0.283 120.097 120.400 -0.034 0.000 2.426 310 K HA 0.273 4.593 4.320 0.000 0.000 0.193 310 K C 1.546 178.011 176.600 -0.224 0.000 1.028 310 K CA 0.642 56.849 56.287 -0.135 0.000 1.047 310 K CB 0.431 32.800 32.500 -0.218 0.000 0.821 310 K HN 0.347 nan 8.250 nan 0.000 0.513 311 G N 1.296 110.004 108.800 -0.153 0.000 2.179 311 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 311 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 311 G C -0.388 174.437 174.900 -0.125 0.000 0.990 311 G CA -0.258 44.767 45.100 -0.125 0.000 0.646 311 G HN 0.485 nan 8.290 nan 0.000 0.517 312 H N -0.041 119.040 119.070 0.019 0.000 2.707 312 H HA 0.537 5.093 4.556 0.000 0.000 0.359 312 H C 1.048 176.387 175.328 0.018 0.000 1.113 312 H CA 0.064 56.124 56.048 0.020 0.000 1.422 312 H CB 0.887 30.657 29.762 0.012 0.000 1.443 312 H HN 0.271 nan 8.280 nan 0.000 0.591 313 I N 3.755 124.420 120.570 0.158 0.000 2.441 313 I HA 0.016 4.186 4.170 0.000 0.000 0.287 313 I C 0.006 176.170 176.117 0.077 0.000 1.049 313 I CA -0.209 61.147 61.300 0.093 0.000 1.381 313 I CB 0.571 38.621 38.000 0.084 0.000 1.409 313 I HN 0.354 nan 8.210 nan 0.000 0.523 314 I N 7.082 127.681 120.570 0.048 0.000 2.428 314 I HA 0.356 4.526 4.170 0.000 0.000 0.289 314 I C 0.225 176.357 176.117 0.025 0.000 1.019 314 I CA -0.240 61.076 61.300 0.027 0.000 1.351 314 I CB 1.153 39.163 38.000 0.017 0.000 1.412 314 I HN 0.302 nan 8.210 nan 0.000 0.513 315 V N 2.217 122.142 119.914 0.017 0.000 3.160 315 V HA 0.688 4.808 4.120 0.000 0.000 0.310 315 V C -0.661 175.449 176.094 0.026 0.000 1.181 315 V CA -0.957 61.368 62.300 0.042 0.000 1.047 315 V CB 2.085 33.948 31.823 0.067 0.000 1.068 315 V HN 0.736 nan 8.190 nan 0.000 0.441 316 D N 0.306 120.745 120.400 0.065 0.000 2.507 316 D HA 0.214 4.854 4.640 0.000 0.000 0.280 316 D C 1.049 177.359 176.300 0.017 0.000 1.219 316 D CA 0.174 54.208 54.000 0.056 0.000 1.085 316 D CB 0.357 41.235 40.800 0.130 0.000 1.134 316 D HN 0.821 nan 8.370 nan 0.000 0.583 317 E N -0.620 119.536 120.200 -0.073 0.000 2.338 317 E HA -0.138 4.212 4.350 0.000 0.000 0.197 317 E C 0.836 177.232 176.600 -0.340 0.000 1.007 317 E CA 0.751 56.999 56.400 -0.252 0.000 0.849 317 E CB -0.511 28.947 29.700 -0.404 0.000 0.774 317 E HN 0.478 nan 8.360 nan 0.000 0.506 318 F N 1.012 121.016 119.950 0.089 0.000 2.641 318 F HA 0.208 4.735 4.527 0.000 0.000 0.302 318 F C 0.410 176.286 175.800 0.127 0.000 1.098 318 F CA -0.324 57.733 58.000 0.094 0.000 1.318 318 F CB 0.585 39.633 39.000 0.080 0.000 1.035 318 F HN -0.184 nan 8.300 nan 0.000 0.551 319 Q N -1.136 118.819 119.800 0.258 0.000 2.429 319 Q HA -0.197 4.143 4.340 0.000 0.000 0.232 319 Q C -0.881 175.314 176.000 0.326 0.000 0.724 319 Q CA 0.428 56.384 55.803 0.255 0.000 1.287 319 Q CB -2.452 26.432 28.738 0.243 0.000 1.429 319 Q HN 0.407 nan 8.270 nan 0.000 0.721 320 N N 1.898 120.789 118.700 0.319 0.000 2.530 320 N HA 0.221 4.961 4.740 0.000 0.000 0.273 320 N C 0.849 176.423 175.510 0.108 0.000 1.173 320 N CA 0.780 53.979 53.050 0.249 0.000 0.967 320 N CB 1.029 39.642 38.487 0.210 0.000 1.109 320 N HN 0.369 nan 8.380 nan 0.000 0.453 321 T N -1.411 113.149 114.554 0.010 0.000 2.833 321 T HA 0.122 4.472 4.350 0.000 0.000 0.292 321 T C 1.295 175.977 174.700 -0.030 0.000 1.031 321 T CA -0.608 61.483 62.100 -0.016 0.000 0.937 321 T CB 0.349 69.182 68.868 -0.060 0.000 1.256 321 T HN 0.536 nan 8.240 nan 0.000 0.551 322 N N -0.553 118.123 118.700 -0.040 0.000 2.467 322 N HA 0.010 4.750 4.740 0.000 0.000 0.184 322 N C -0.021 175.454 175.510 -0.058 0.000 1.106 322 N CA 0.011 53.040 53.050 -0.035 0.000 0.892 322 N CB -0.333 38.136 38.487 -0.030 0.000 0.969 322 N HN 0.378 nan 8.380 nan 0.000 0.454 323 V N 1.442 121.299 119.914 -0.096 0.000 2.394 323 V HA 0.188 4.308 4.120 0.000 0.000 0.282 323 V C 0.424 176.435 176.094 -0.138 0.000 1.031 323 V CA -1.057 61.175 62.300 -0.114 0.000 0.881 323 V CB 1.517 33.250 31.823 -0.151 0.000 0.982 323 V HN 0.048 nan 8.190 nan 0.000 0.451 324 K N 3.064 123.404 120.400 -0.101 0.000 2.484 324 K HA 0.310 4.630 4.320 0.000 0.000 0.280 324 K C 1.228 177.746 176.600 -0.138 0.000 1.013 324 K CA 1.020 57.250 56.287 -0.095 0.000 1.029 324 K CB 0.293 32.767 32.500 -0.043 0.000 0.902 324 K HN 1.158 nan 8.250 nan 0.000 0.481 325 G N 2.753 111.436 108.800 -0.195 0.000 2.148 325 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 325 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 325 G C 0.029 174.694 174.900 -0.392 0.000 0.981 325 G CA -0.184 44.811 45.100 -0.176 0.000 0.670 325 G HN 0.565 nan 8.290 nan 0.000 0.528 326 I N 0.201 120.376 120.570 -0.659 0.000 2.418 326 I HA 0.551 4.721 4.170 0.000 0.000 0.287 326 I C -0.238 175.491 176.117 -0.647 0.000 1.008 326 I CA -1.117 59.907 61.300 -0.459 0.000 1.104 326 I CB 1.324 39.201 38.000 -0.205 0.000 1.264 326 I HN 0.040 nan 8.210 nan 0.000 0.438 327 Y N 4.154 124.546 120.300 0.154 0.000 2.630 327 Y HA 0.863 5.413 4.550 0.000 0.000 0.337 327 Y C 0.126 176.103 175.900 0.128 0.000 1.051 327 Y CA -1.170 57.016 58.100 0.143 0.000 1.121 327 Y CB 1.832 40.396 38.460 0.174 0.000 1.299 327 Y HN 0.563 nan 8.280 nan 0.000 0.498 328 A N 0.800 123.786 122.820 0.277 0.000 2.488 328 A HA 0.822 5.142 4.320 0.000 0.000 0.298 328 A C -1.437 176.253 177.584 0.178 0.000 1.044 328 A CA -0.577 51.574 52.037 0.190 0.000 0.693 328 A CB 1.227 20.309 19.000 0.136 0.000 1.272 328 A HN 1.150 nan 8.150 nan 0.000 0.402 329 V N -0.557 119.446 119.914 0.148 0.000 3.159 329 V HA 1.014 5.135 4.120 0.000 0.000 0.308 329 V C 0.444 176.605 176.094 0.111 0.000 1.190 329 V CA 0.270 62.652 62.300 0.138 0.000 1.037 329 V CB 0.976 32.879 31.823 0.134 0.000 1.060 329 V HN 2.972 nan 8.190 nan 0.000 0.437 330 G N 2.100 110.969 108.800 0.115 0.000 2.584 330 G HA2 -0.188 3.772 3.960 0.000 0.000 0.229 330 G HA3 -0.188 3.772 3.960 0.000 0.000 0.229 330 G C 0.007 174.963 174.900 0.093 0.000 1.320 330 G CA 0.621 45.778 45.100 0.095 0.000 0.891 330 G HN 1.092 nan 8.290 nan 0.000 0.573 331 D N -0.678 119.774 120.400 0.087 0.000 2.182 331 D HA -0.053 4.587 4.640 0.000 0.000 0.201 331 D C 2.457 178.835 176.300 0.130 0.000 0.986 331 D CA 1.396 55.455 54.000 0.098 0.000 0.847 331 D CB -0.216 40.642 40.800 0.096 0.000 0.942 331 D HN 0.533 nan 8.370 nan 0.000 0.467 332 V N -0.153 119.836 119.914 0.125 0.000 2.867 332 V HA -0.211 3.909 4.120 0.000 0.000 0.260 332 V C 1.796 178.013 176.094 0.205 0.000 1.099 332 V CA 1.260 63.655 62.300 0.158 0.000 1.122 332 V CB -0.251 31.640 31.823 0.114 0.000 0.708 332 V HN 0.325 nan 8.190 nan 0.000 0.490 333 C N 0.264 119.637 119.300 0.122 0.000 2.563 333 C HA 0.410 4.870 4.460 0.000 0.000 0.268 333 C C 2.091 177.006 174.990 -0.125 0.000 1.365 333 C CA 0.261 59.306 59.018 0.045 0.000 1.754 333 C CB -0.858 26.893 27.740 0.018 0.000 1.932 333 C HN 0.839 nan 8.230 nan 0.000 0.536 334 G N 1.512 110.222 108.800 -0.150 0.000 2.162 334 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 334 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 334 G C -0.016 174.704 174.900 -0.300 0.000 0.976 334 G CA 0.711 45.501 45.100 -0.518 0.000 0.655 334 G HN 0.725 nan 8.290 nan 0.000 0.533 335 K N -1.112 119.188 120.400 -0.166 0.000 2.270 335 K HA 0.771 5.091 4.320 0.000 0.000 0.255 335 K C 0.460 177.065 176.600 0.009 0.000 0.936 335 K CA -0.127 56.087 56.287 -0.123 0.000 0.809 335 K CB 2.054 34.420 32.500 -0.223 0.000 1.131 335 K HN 1.716 nan 8.250 nan 0.000 0.427 336 A N 3.669 126.509 122.820 0.034 0.000 2.183 336 A HA -0.125 4.195 4.320 0.000 0.000 0.278 336 A C -0.163 177.470 177.584 0.082 0.000 1.404 336 A CA 0.269 52.356 52.037 0.083 0.000 0.737 336 A CB -1.927 17.183 19.000 0.184 0.000 1.172 336 A HN 0.758 nan 8.150 nan 0.000 0.338 337 L N 1.680 122.946 121.223 0.072 0.000 2.376 337 L HA 0.361 4.702 4.340 0.000 0.000 0.250 337 L C 0.180 177.103 176.870 0.089 0.000 1.335 337 L CA 0.330 55.227 54.840 0.095 0.000 1.214 337 L CB -0.669 41.467 42.059 0.129 0.000 1.395 337 L HN 0.577 nan 8.230 nan 0.000 0.424 338 L N -0.016 121.243 121.223 0.059 0.000 2.434 338 L HA 0.335 4.675 4.340 0.000 0.000 0.260 338 L C 1.155 178.045 176.870 0.033 0.000 0.983 338 L CA -0.439 54.421 54.840 0.033 0.000 0.820 338 L CB 2.258 44.312 42.059 -0.009 0.000 1.361 338 L HN 0.039 nan 8.230 nan 0.000 0.410 339 T N 1.003 115.575 114.554 0.030 0.000 2.708 339 T HA -0.061 4.289 4.350 0.000 0.000 0.266 339 T C -1.144 173.562 174.700 0.010 0.000 1.037 339 T CA 1.768 63.880 62.100 0.019 0.000 1.146 339 T CB -0.440 68.438 68.868 0.017 0.000 0.865 339 T HN 0.456 nan 8.240 nan 0.000 0.435 340 P HA 0.035 nan 4.420 nan 0.000 0.220 340 P C 1.488 178.772 177.300 -0.026 0.000 1.148 340 P CA 0.496 63.591 63.100 -0.008 0.000 0.803 340 P CB -0.132 31.560 31.700 -0.013 0.000 0.782 341 V N 0.183 120.081 119.914 -0.027 0.000 2.379 341 V HA -0.191 3.929 4.120 0.000 0.000 0.245 341 V C 2.487 178.569 176.094 -0.020 0.000 1.044 341 V CA 2.068 64.334 62.300 -0.057 0.000 1.036 341 V CB -1.679 30.134 31.823 -0.017 0.000 0.664 341 V HN 0.090 nan 8.190 nan 0.000 0.453 342 A N 0.158 122.991 122.820 0.022 0.000 1.877 342 A HA -0.189 4.131 4.320 0.000 0.000 0.216 342 A C 2.191 179.791 177.584 0.026 0.000 1.186 342 A CA 1.999 54.059 52.037 0.039 0.000 0.620 342 A CB -0.550 18.473 19.000 0.038 0.000 0.822 342 A HN 0.489 nan 8.150 nan 0.000 0.443 343 I N -0.309 120.268 120.570 0.012 0.000 2.099 343 I HA -0.307 3.863 4.170 0.000 0.000 0.239 343 I C 3.027 179.151 176.117 0.012 0.000 1.066 343 I CA 1.251 62.560 61.300 0.015 0.000 1.324 343 I CB -0.426 37.582 38.000 0.013 0.000 1.037 343 I HN 0.362 nan 8.210 nan 0.000 0.401 344 A N 0.627 123.438 122.820 -0.015 0.000 1.902 344 A HA -0.186 4.134 4.320 0.000 0.000 0.217 344 A C 2.518 180.087 177.584 -0.025 0.000 1.181 344 A CA 1.990 54.008 52.037 -0.032 0.000 0.623 344 A CB -0.926 18.026 19.000 -0.080 0.000 0.818 344 A HN 0.463 nan 8.150 nan 0.000 0.443 345 A N -0.574 122.227 122.820 -0.031 0.000 1.902 345 A HA 0.130 4.450 4.320 0.000 0.000 0.217 345 A C 2.405 180.024 177.584 0.059 0.000 1.181 345 A CA 1.909 53.953 52.037 0.013 0.000 0.623 345 A CB -1.344 17.698 19.000 0.070 0.000 0.818 345 A HN 0.740 nan 8.150 nan 0.000 0.443 346 G N -0.735 108.102 108.800 0.063 0.000 2.408 346 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 346 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 346 G C 1.785 176.733 174.900 0.080 0.000 1.150 346 G CA 0.833 45.984 45.100 0.084 0.000 0.776 346 G HN 0.561 nan 8.290 nan 0.000 0.542 347 R N 0.110 120.654 120.500 0.073 0.000 2.062 347 R HA 0.045 4.385 4.340 0.000 0.000 0.229 347 R C 2.586 178.987 176.300 0.169 0.000 1.128 347 R CA 0.970 57.133 56.100 0.106 0.000 0.960 347 R CB -0.160 30.212 30.300 0.119 0.000 0.855 347 R HN 0.107 nan 8.270 nan 0.000 0.432 348 K N 0.842 121.315 120.400 0.121 0.000 2.103 348 K HA -0.152 4.168 4.320 0.000 0.000 0.207 348 K C 2.060 178.712 176.600 0.086 0.000 1.048 348 K CA 0.882 57.239 56.287 0.117 0.000 0.930 348 K CB -0.358 32.173 32.500 0.051 0.000 0.716 348 K HN 0.106 nan 8.250 nan 0.000 0.444 349 L N 1.040 122.286 121.223 0.039 0.000 2.056 349 L HA -0.049 4.291 4.340 0.000 0.000 0.207 349 L C 2.211 178.983 176.870 -0.164 0.000 1.078 349 L CA 1.844 56.652 54.840 -0.053 0.000 0.749 349 L CB -0.801 41.238 42.059 -0.033 0.000 0.901 349 L HN 0.117 nan 8.230 nan 0.000 0.433 350 A N -1.339 121.423 122.820 -0.097 0.000 1.902 350 A HA -0.249 4.071 4.320 0.000 0.000 0.217 350 A C 2.235 179.682 177.584 -0.228 0.000 1.181 350 A CA 1.756 53.700 52.037 -0.155 0.000 0.623 350 A CB -1.005 17.923 19.000 -0.120 0.000 0.818 350 A HN 0.678 nan 8.150 nan 0.000 0.443 351 H N -0.925 118.086 119.070 -0.098 0.000 2.353 351 H HA -0.114 4.443 4.556 0.000 0.000 0.300 351 H C 2.321 177.532 175.328 -0.194 0.000 1.090 351 H CA 1.829 57.812 56.048 -0.108 0.000 1.327 351 H CB -0.146 29.581 29.762 -0.059 0.000 1.383 351 H HN 0.557 nan 8.280 nan 0.000 0.508 352 R N 0.764 121.208 120.500 -0.092 0.000 2.073 352 R HA -0.098 4.242 4.340 0.000 0.000 0.234 352 R C 2.446 178.485 176.300 -0.435 0.000 1.134 352 R CA 1.107 57.093 56.100 -0.189 0.000 0.952 352 R CB -0.119 30.101 30.300 -0.134 0.000 0.850 352 R HN 0.207 nan 8.270 nan 0.000 0.433 353 L N -0.924 119.883 121.223 -0.693 0.000 2.095 353 L HA -0.045 4.295 4.340 0.000 0.000 0.204 353 L C 1.659 177.635 176.870 -1.490 0.000 1.080 353 L CA 1.037 55.148 54.840 -1.216 0.000 0.759 353 L CB -0.193 40.743 42.059 -1.872 0.000 0.914 353 L HN 0.182 nan 8.230 nan 0.000 0.439 354 F N -1.224 118.305 119.950 -0.702 0.000 2.720 354 F HA 0.110 4.637 4.527 0.000 0.000 0.301 354 F C 2.070 177.485 175.800 -0.641 0.000 1.103 354 F CA 0.066 57.662 58.000 -0.672 0.000 1.291 354 F CB 0.108 38.829 39.000 -0.466 0.000 1.086 354 F HN -0.016 nan 8.300 nan 0.000 0.592 355 E N -1.109 118.836 120.200 -0.426 0.000 2.526 355 E HA 0.044 4.394 4.350 0.000 0.000 0.208 355 E C -0.260 176.272 176.600 -0.115 0.000 0.997 355 E CA -0.033 56.271 56.400 -0.161 0.000 0.961 355 E CB 0.140 29.874 29.700 0.056 0.000 1.030 355 E HN 0.316 nan 8.360 nan 0.000 0.483 356 Y N -0.476 119.791 120.300 -0.054 0.000 4.079 356 Y HA -0.294 4.256 4.550 0.000 0.000 0.223 356 Y C -0.355 175.522 175.900 -0.039 0.000 1.155 356 Y CA 0.676 58.739 58.100 -0.062 0.000 1.805 356 Y CB -2.128 36.309 38.460 -0.038 0.000 1.571 356 Y HN 0.012 nan 8.280 nan 0.000 0.654 357 K N 1.932 122.337 120.400 0.009 0.000 2.183 357 K HA 0.114 4.434 4.320 0.000 0.000 0.272 357 K C 1.058 177.660 176.600 0.004 0.000 1.113 357 K CA 0.393 56.697 56.287 0.029 0.000 0.949 357 K CB 0.394 32.916 32.500 0.035 0.000 1.365 357 K HN 0.634 nan 8.250 nan 0.000 0.420 358 E N 1.673 121.873 120.200 -0.000 0.000 2.268 358 E HA -0.203 4.147 4.350 0.000 0.000 0.195 358 E C 0.665 177.259 176.600 -0.010 0.000 0.995 358 E CA 1.394 57.759 56.400 -0.058 0.000 0.836 358 E CB 0.092 29.745 29.700 -0.078 0.000 0.763 358 E HN 0.493 nan 8.360 nan 0.000 0.491 359 D N 0.858 121.309 120.400 0.086 0.000 2.340 359 D HA -0.029 4.612 4.640 0.000 0.000 0.217 359 D C 0.130 176.564 176.300 0.224 0.000 1.081 359 D CA -0.135 53.985 54.000 0.200 0.000 0.842 359 D CB 0.132 41.002 40.800 0.117 0.000 0.934 359 D HN 0.045 nan 8.370 nan 0.000 0.511 360 S N 0.607 116.409 115.700 0.171 0.000 2.430 360 S HA 0.314 4.784 4.470 0.000 0.000 0.282 360 S C -0.214 174.503 174.600 0.196 0.000 1.186 360 S CA -0.466 57.810 58.200 0.126 0.000 1.060 360 S CB -0.216 63.030 63.200 0.077 0.000 0.966 360 S HN 0.437 nan 8.310 nan 0.000 0.501 361 K N 2.954 123.417 120.400 0.105 0.000 2.607 361 K HA 0.512 4.832 4.320 0.000 0.000 0.287 361 K C -1.758 174.828 176.600 -0.024 0.000 0.996 361 K CA -1.160 55.158 56.287 0.051 0.000 0.876 361 K CB 0.444 32.900 32.500 -0.074 0.000 1.496 361 K HN 0.367 nan 8.250 nan 0.000 0.415 362 L N 1.719 122.910 121.223 -0.053 0.000 2.305 362 L HA 0.353 4.694 4.340 0.000 0.000 0.281 362 L C -0.813 175.964 176.870 -0.156 0.000 1.085 362 L CA 0.300 55.038 54.840 -0.170 0.000 0.813 362 L CB 1.070 42.917 42.059 -0.354 0.000 1.157 362 L HN 0.734 nan 8.230 nan 0.000 0.436 363 D N 3.132 123.442 120.400 -0.150 0.000 2.316 363 D HA 0.053 4.693 4.640 0.000 0.000 0.245 363 D C 0.054 176.281 176.300 -0.122 0.000 1.171 363 D CA 0.223 54.181 54.000 -0.069 0.000 0.856 363 D CB 0.463 41.231 40.800 -0.053 0.000 1.090 363 D HN 0.490 nan 8.370 nan 0.000 0.476 364 Y N 2.072 122.343 120.300 -0.050 0.000 2.529 364 Y HA 0.129 4.679 4.550 0.000 0.000 0.290 364 Y C 0.592 176.467 175.900 -0.041 0.000 1.177 364 Y CA -0.114 57.959 58.100 -0.045 0.000 1.305 364 Y CB -0.317 38.113 38.460 -0.050 0.000 1.047 364 Y HN 0.302 nan 8.280 nan 0.000 0.522 365 N N 0.084 118.825 118.700 0.068 0.000 2.495 365 N HA 0.131 4.871 4.740 0.000 0.000 0.280 365 N C -0.326 175.188 175.510 0.006 0.000 1.168 365 N CA -0.393 52.679 53.050 0.036 0.000 0.978 365 N CB 0.275 38.780 38.487 0.031 0.000 1.191 365 N HN 0.127 nan 8.380 nan 0.000 0.497 366 N N -0.503 118.200 118.700 0.005 0.000 2.735 366 N HA -0.188 4.552 4.740 0.000 0.000 0.248 366 N C -1.185 174.310 175.510 -0.025 0.000 1.083 366 N CA 0.063 53.110 53.050 -0.006 0.000 0.703 366 N CB -1.171 37.318 38.487 0.004 0.000 1.005 366 N HN 0.447 nan 8.380 nan 0.000 0.550 367 I N 1.562 122.112 120.570 -0.033 0.000 2.396 367 I HA 0.216 4.386 4.170 0.000 0.000 0.289 367 I C -1.619 174.466 176.117 -0.054 0.000 1.056 367 I CA -1.519 59.751 61.300 -0.050 0.000 1.365 367 I CB 0.546 38.517 38.000 -0.049 0.000 1.407 367 I HN -0.071 nan 8.210 nan 0.000 0.509 368 P HA 0.341 nan 4.420 nan 0.000 0.284 368 P C -1.039 176.218 177.300 -0.072 0.000 1.258 368 P CA -0.397 62.672 63.100 -0.052 0.000 0.824 368 P CB 1.336 33.018 31.700 -0.029 0.000 1.038 369 T N 0.339 114.840 114.554 -0.089 0.000 2.912 369 T HA 0.452 4.802 4.350 0.000 0.000 0.299 369 T C -0.599 174.028 174.700 -0.121 0.000 1.052 369 T CA -0.516 61.516 62.100 -0.115 0.000 0.996 369 T CB 1.490 70.278 68.868 -0.134 0.000 1.070 369 T HN 0.116 nan 8.240 nan 0.000 0.465 370 V N 2.530 122.322 119.914 -0.202 0.000 2.540 370 V HA 0.550 4.670 4.120 0.000 0.000 0.302 370 V C -0.547 175.267 176.094 -0.467 0.000 1.035 370 V CA -0.716 61.357 62.300 -0.378 0.000 0.873 370 V CB 2.055 33.523 31.823 -0.591 0.000 0.992 370 V HN 0.769 nan 8.190 nan 0.000 0.428 371 V N 5.231 124.894 119.914 -0.417 0.000 2.384 371 V HA 0.407 4.527 4.120 0.000 0.000 0.287 371 V C -0.360 175.436 176.094 -0.495 0.000 1.020 371 V CA -0.388 61.733 62.300 -0.297 0.000 0.850 371 V CB 1.390 33.142 31.823 -0.118 0.000 0.987 371 V HN 0.736 nan 8.190 nan 0.000 0.436 372 F N 3.880 123.667 119.950 -0.271 0.000 2.659 372 F HA 0.237 4.764 4.527 0.000 0.000 0.360 372 F C 1.412 177.048 175.800 -0.274 0.000 1.218 372 F CA -0.158 57.477 58.000 -0.608 0.000 1.317 372 F CB -0.203 38.179 39.000 -1.030 0.000 1.697 372 F HN 0.581 nan 8.300 nan 0.000 0.637 373 S N -0.697 114.969 115.700 -0.057 0.000 2.623 373 S HA 0.435 4.905 4.470 0.000 0.000 0.278 373 S C -0.402 174.182 174.600 -0.027 0.000 1.148 373 S CA -0.789 57.428 58.200 0.029 0.000 1.028 373 S CB 0.836 64.049 63.200 0.021 0.000 1.145 373 S HN 0.364 nan 8.310 nan 0.000 0.523 374 H N 1.298 120.494 119.070 0.211 0.000 2.860 374 H HA 0.449 5.005 4.556 0.000 0.000 0.312 374 H C -2.681 172.695 175.328 0.080 0.000 0.995 374 H CA -1.474 54.665 56.048 0.152 0.000 1.311 374 H CB 1.017 30.806 29.762 0.046 0.000 1.478 374 H HN 0.439 nan 8.280 nan 0.000 0.508 375 P HA 0.144 nan 4.420 nan 0.000 0.274 375 P C -2.540 174.825 177.300 0.109 0.000 1.256 375 P CA -1.583 61.608 63.100 0.151 0.000 0.795 375 P CB 0.202 31.972 31.700 0.116 0.000 1.038 376 P HA 0.265 nan 4.420 nan 0.000 0.274 376 P C -0.424 176.823 177.300 -0.089 0.000 1.246 376 P CA 0.169 63.234 63.100 -0.059 0.000 0.795 376 P CB 0.622 32.222 31.700 -0.168 0.000 1.006 377 I N 0.055 120.528 120.570 -0.162 0.000 2.530 377 I HA 0.575 4.745 4.170 0.000 0.000 0.297 377 I C 0.622 176.681 176.117 -0.096 0.000 1.011 377 I CA -0.450 60.804 61.300 -0.077 0.000 1.107 377 I CB 2.105 40.081 38.000 -0.040 0.000 1.285 377 I HN 0.342 nan 8.210 nan 0.000 0.436 378 G N 2.372 111.162 108.800 -0.018 0.000 2.590 378 G HA2 0.612 4.572 3.960 0.000 0.000 0.310 378 G HA3 0.612 4.572 3.960 0.000 0.000 0.310 378 G C -1.237 173.686 174.900 0.039 0.000 1.347 378 G CA -0.354 44.734 45.100 -0.020 0.000 0.963 378 G HN 0.467 nan 8.290 nan 0.000 0.494 379 T N -0.331 114.236 114.554 0.022 0.000 2.916 379 T HA 0.666 5.016 4.350 0.000 0.000 0.305 379 T C -1.613 173.050 174.700 -0.061 0.000 1.119 379 T CA -0.527 61.585 62.100 0.020 0.000 1.008 379 T CB 1.921 70.853 68.868 0.107 0.000 1.129 379 T HN 1.195 nan 8.240 nan 0.000 0.480 380 V N 3.948 123.790 119.914 -0.120 0.000 2.891 380 V HA 0.824 4.944 4.120 0.000 0.000 0.304 380 V C 0.244 176.278 176.094 -0.100 0.000 1.171 380 V CA 1.087 63.336 62.300 -0.086 0.000 0.943 380 V CB 1.042 32.841 31.823 -0.041 0.000 1.037 380 V HN 1.813 nan 8.190 nan 0.000 0.427 381 G N 4.814 113.588 108.800 -0.043 0.000 2.615 381 G HA2 -0.117 3.844 3.960 0.000 0.000 0.218 381 G HA3 -0.117 3.844 3.960 0.000 0.000 0.218 381 G C -0.793 174.136 174.900 0.050 0.000 1.339 381 G CA -0.266 44.829 45.100 -0.009 0.000 0.884 381 G HN 1.247 nan 8.290 nan 0.000 0.559 382 L N 1.480 122.756 121.223 0.088 0.000 2.395 382 L HA 0.506 4.846 4.340 0.000 0.000 0.269 382 L C 1.752 178.771 176.870 0.250 0.000 1.133 382 L CA -0.133 54.785 54.840 0.130 0.000 0.812 382 L CB 1.077 43.220 42.059 0.140 0.000 1.125 382 L HN 1.036 nan 8.230 nan 0.000 0.452 383 T N -2.351 112.269 114.554 0.111 0.000 2.788 383 T HA 0.046 4.396 4.350 0.000 0.000 0.287 383 T C 0.940 175.668 174.700 0.048 0.000 1.007 383 T CA -0.504 61.575 62.100 -0.036 0.000 1.005 383 T CB 1.264 70.037 68.868 -0.158 0.000 1.012 383 T HN 0.764 nan 8.240 nan 0.000 0.530 384 E N 0.185 120.385 120.200 0.001 0.000 2.085 384 E HA -0.228 4.122 4.350 0.000 0.000 0.194 384 E C 1.412 178.035 176.600 0.039 0.000 0.994 384 E CA 1.581 58.003 56.400 0.035 0.000 0.801 384 E CB -0.127 29.578 29.700 0.009 0.000 0.743 384 E HN 0.677 nan 8.360 nan 0.000 0.453 385 D N 0.358 120.766 120.400 0.013 0.000 2.117 385 D HA -0.148 4.492 4.640 0.000 0.000 0.198 385 D C 1.774 178.103 176.300 0.049 0.000 0.982 385 D CA 1.045 55.059 54.000 0.024 0.000 0.828 385 D CB -0.098 40.700 40.800 -0.003 0.000 0.967 385 D HN 0.351 nan 8.370 nan 0.000 0.464 386 E N 0.684 120.905 120.200 0.036 0.000 2.110 386 E HA -0.116 4.234 4.350 0.000 0.000 0.193 386 E C 2.070 178.738 176.600 0.113 0.000 0.988 386 E CA 0.921 57.349 56.400 0.048 0.000 0.804 386 E CB 0.014 29.726 29.700 0.020 0.000 0.745 386 E HN 0.171 nan 8.360 nan 0.000 0.458 387 A N 0.920 123.832 122.820 0.153 0.000 1.929 387 A HA -0.121 4.199 4.320 0.000 0.000 0.216 387 A C 2.140 179.884 177.584 0.267 0.000 1.176 387 A CA 0.790 52.998 52.037 0.284 0.000 0.628 387 A CB -0.436 18.715 19.000 0.252 0.000 0.816 387 A HN 0.127 nan 8.150 nan 0.000 0.444 388 I N -0.902 119.764 120.570 0.160 0.000 2.163 388 I HA -0.282 3.888 4.170 0.000 0.000 0.243 388 I C 2.579 178.762 176.117 0.111 0.000 1.085 388 I CA 1.723 63.097 61.300 0.123 0.000 1.347 388 I CB -0.379 37.669 38.000 0.080 0.000 1.044 388 I HN 0.556 nan 8.210 nan 0.000 0.408 389 H N 1.341 120.414 119.070 0.005 0.000 2.495 389 H HA -0.143 4.413 4.556 0.000 0.000 0.287 389 H C 2.025 177.300 175.328 -0.087 0.000 1.033 389 H CA 1.480 57.509 56.048 -0.031 0.000 1.307 389 H CB 0.261 30.001 29.762 -0.035 0.000 1.401 389 H HN 0.300 nan 8.280 nan 0.000 0.555 390 K N -0.637 119.717 120.400 -0.078 0.000 2.202 390 K HA -0.039 4.282 4.320 0.000 0.000 0.201 390 K C 0.933 177.206 176.600 -0.545 0.000 1.051 390 K CA 0.631 56.685 56.287 -0.388 0.000 0.977 390 K CB 0.278 32.446 32.500 -0.554 0.000 0.792 390 K HN 0.196 nan 8.250 nan 0.000 0.469 391 Y N -0.637 119.649 120.300 -0.024 0.000 2.444 391 Y HA 0.335 4.885 4.550 0.000 0.000 0.252 391 Y C 0.468 176.347 175.900 -0.035 0.000 1.091 391 Y CA 0.033 58.116 58.100 -0.027 0.000 1.276 391 Y CB 1.636 40.089 38.460 -0.011 0.000 1.170 391 Y HN 0.143 nan 8.280 nan 0.000 0.517 392 G N 0.762 109.623 108.800 0.101 0.000 2.784 392 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 392 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 392 G C 0.253 175.191 174.900 0.065 0.000 1.156 392 G CA -0.403 44.729 45.100 0.053 0.000 0.757 392 G HN 0.048 nan 8.290 nan 0.000 0.642 393 I N 1.157 121.749 120.570 0.037 0.000 2.335 393 I HA -0.188 3.982 4.170 0.000 0.000 0.251 393 I C 2.699 178.824 176.117 0.014 0.000 1.129 393 I CA 2.413 63.728 61.300 0.025 0.000 1.402 393 I CB -0.682 37.326 38.000 0.013 0.000 1.069 393 I HN 0.908 nan 8.210 nan 0.000 0.424 394 E N 0.633 120.842 120.200 0.014 0.000 2.347 394 E HA -0.150 4.200 4.350 0.000 0.000 0.196 394 E C 0.864 177.464 176.600 -0.001 0.000 1.008 394 E CA 0.722 57.124 56.400 0.003 0.000 0.852 394 E CB -0.280 29.422 29.700 0.003 0.000 0.783 394 E HN 0.498 nan 8.360 nan 0.000 0.505 395 N N 1.000 119.709 118.700 0.016 0.000 2.235 395 N HA 0.125 4.865 4.740 0.000 0.000 0.209 395 N C -0.785 174.697 175.510 -0.046 0.000 1.122 395 N CA 0.090 53.138 53.050 -0.003 0.000 0.845 395 N CB 1.624 40.134 38.487 0.038 0.000 1.004 395 N HN -0.022 nan 8.380 nan 0.000 0.499 396 V N 0.958 120.855 119.914 -0.028 0.000 2.540 396 V HA 0.352 4.472 4.120 0.000 0.000 0.302 396 V C -0.198 175.853 176.094 -0.071 0.000 1.035 396 V CA -0.810 61.461 62.300 -0.049 0.000 0.873 396 V CB 2.443 34.273 31.823 0.011 0.000 0.992 396 V HN 0.002 nan 8.190 nan 0.000 0.428 397 K N 2.984 123.323 120.400 -0.101 0.000 2.443 397 K HA 0.755 5.075 4.320 0.000 0.000 0.252 397 K C -0.496 175.980 176.600 -0.206 0.000 0.933 397 K CA -0.283 55.902 56.287 -0.170 0.000 0.792 397 K CB 2.136 34.531 32.500 -0.174 0.000 1.185 397 K HN 0.839 nan 8.250 nan 0.000 0.425 398 T N 0.102 114.492 114.554 -0.274 0.000 2.932 398 T HA 0.544 4.894 4.350 0.000 0.000 0.289 398 T C -0.968 173.493 174.700 -0.399 0.000 1.039 398 T CA -0.581 61.402 62.100 -0.195 0.000 1.024 398 T CB 0.686 69.511 68.868 -0.070 0.000 1.090 398 T HN 0.421 nan 8.240 nan 0.000 0.496 399 Y N 0.545 120.823 120.300 -0.037 0.000 2.477 399 Y HA 0.643 5.193 4.550 0.000 0.000 0.347 399 Y C 0.464 176.357 175.900 -0.012 0.000 0.981 399 Y CA -0.568 57.514 58.100 -0.030 0.000 1.033 399 Y CB 2.622 41.049 38.460 -0.055 0.000 1.245 399 Y HN 1.143 nan 8.280 nan 0.000 0.455 400 S N 0.632 116.427 115.700 0.158 0.000 2.607 400 S HA 0.864 5.334 4.470 0.000 0.000 0.273 400 S C -1.058 173.617 174.600 0.125 0.000 1.148 400 S CA -0.760 57.511 58.200 0.118 0.000 0.833 400 S CB 2.343 65.592 63.200 0.083 0.000 1.130 400 S HN 0.643 nan 8.310 nan 0.000 0.470 401 T N -0.051 114.587 114.554 0.140 0.000 2.868 401 T HA 0.747 5.097 4.350 0.000 0.000 0.306 401 T C -1.745 173.082 174.700 0.210 0.000 1.224 401 T CA -0.320 61.890 62.100 0.184 0.000 1.012 401 T CB 1.738 70.736 68.868 0.216 0.000 1.221 401 T HN 1.146 nan 8.240 nan 0.000 0.499 402 S N 2.313 118.157 115.700 0.239 0.000 2.575 402 S HA 0.854 5.324 4.470 0.000 0.000 0.278 402 S C -1.578 173.184 174.600 0.269 0.000 1.139 402 S CA -0.678 57.617 58.200 0.158 0.000 0.954 402 S CB 0.321 63.571 63.200 0.083 0.000 1.054 402 S HN 0.753 nan 8.310 nan 0.000 0.483 403 F N 0.023 120.016 119.950 0.071 0.000 2.741 403 F HA 0.665 5.192 4.527 0.000 0.000 0.313 403 F C -0.845 175.016 175.800 0.101 0.000 1.153 403 F CA -0.938 57.110 58.000 0.079 0.000 0.931 403 F CB 0.933 39.982 39.000 0.082 0.000 1.335 403 F HN 0.269 nan 8.300 nan 0.000 0.460 404 T N 3.120 117.835 114.554 0.268 0.000 2.733 404 T HA 0.466 4.816 4.350 0.000 0.000 0.294 404 T C -2.656 172.274 174.700 0.383 0.000 0.956 404 T CA -1.097 61.129 62.100 0.210 0.000 0.987 404 T CB 0.748 69.725 68.868 0.181 0.000 0.920 404 T HN 0.349 nan 8.240 nan 0.000 0.470 405 P HA 0.066 nan 4.420 nan 0.000 0.266 405 P C 1.056 178.570 177.300 0.356 0.000 1.195 405 P CA -0.285 63.072 63.100 0.428 0.000 0.768 405 P CB 0.511 32.409 31.700 0.330 0.000 0.838 406 M N 3.247 123.023 119.600 0.293 0.000 2.255 406 M HA -0.278 4.202 4.480 0.000 0.000 0.259 406 M C 1.691 178.096 176.300 0.175 0.000 1.071 406 M CA 1.793 57.212 55.300 0.197 0.000 1.074 406 M CB -0.668 32.021 32.600 0.148 0.000 1.384 406 M HN 0.364 nan 8.290 nan 0.000 0.415 407 Y N 0.301 120.652 120.300 0.086 0.000 2.241 407 Y HA -0.309 4.241 4.550 0.000 0.000 0.286 407 Y C 1.764 177.700 175.900 0.061 0.000 1.166 407 Y CA 2.132 60.252 58.100 0.033 0.000 1.203 407 Y CB -0.396 37.990 38.460 -0.123 0.000 0.977 407 Y HN 0.402 nan 8.280 nan 0.000 0.529 408 H N -0.789 118.353 119.070 0.121 0.000 2.539 408 H HA 0.337 4.893 4.556 0.000 0.000 0.269 408 H C 2.135 177.448 175.328 -0.025 0.000 0.980 408 H CA 0.504 56.574 56.048 0.036 0.000 1.152 408 H CB -0.126 29.735 29.762 0.166 0.000 1.407 408 H HN 0.495 nan 8.280 nan 0.000 0.564 409 A N 1.104 123.967 122.820 0.071 0.000 2.024 409 A HA -0.114 4.206 4.320 0.000 0.000 0.220 409 A C 2.124 179.673 177.584 -0.058 0.000 1.164 409 A CA 1.880 53.932 52.037 0.025 0.000 0.643 409 A CB -0.441 18.571 19.000 0.019 0.000 0.806 409 A HN 0.276 nan 8.150 nan 0.000 0.451 410 V N -2.958 116.852 119.914 -0.173 0.000 3.276 410 V HA 0.280 4.400 4.120 0.000 0.000 0.319 410 V C 0.449 176.377 176.094 -0.277 0.000 1.427 410 V CA 0.455 62.594 62.300 -0.267 0.000 1.102 410 V CB -0.872 30.689 31.823 -0.436 0.000 1.020 410 V HN 0.500 nan 8.190 nan 0.000 0.456 411 T N -2.914 111.555 114.554 -0.142 0.000 2.918 411 T HA 0.517 4.867 4.350 0.000 0.000 0.286 411 T C 0.480 175.193 174.700 0.022 0.000 1.026 411 T CA -0.520 61.559 62.100 -0.035 0.000 1.031 411 T CB 2.435 71.380 68.868 0.128 0.000 1.046 411 T HN 0.181 nan 8.240 nan 0.000 0.479 412 K N -0.148 120.272 120.400 0.033 0.000 2.186 412 K HA 0.110 4.430 4.320 0.000 0.000 0.202 412 K C 1.300 177.914 176.600 0.023 0.000 1.052 412 K CA 0.234 56.533 56.287 0.021 0.000 0.965 412 K CB 0.151 32.662 32.500 0.018 0.000 0.746 412 K HN 0.478 nan 8.250 nan 0.000 0.457 413 R N 1.701 122.239 120.500 0.063 0.000 2.490 413 R HA 0.069 4.409 4.340 0.000 0.000 0.280 413 R C -0.724 175.526 176.300 -0.083 0.000 1.077 413 R CA 0.142 56.266 56.100 0.040 0.000 1.065 413 R CB 0.524 30.910 30.300 0.143 0.000 1.003 413 R HN -0.194 nan 8.270 nan 0.000 0.470 414 K N 2.057 122.324 120.400 -0.221 0.000 2.477 414 K HA 0.370 4.690 4.320 0.000 0.000 0.255 414 K C -0.905 175.442 176.600 -0.423 0.000 0.952 414 K CA -0.731 55.243 56.287 -0.521 0.000 0.826 414 K CB 2.273 34.630 32.500 -0.239 0.000 1.331 414 K HN 0.876 nan 8.250 nan 0.000 0.437 415 T N -2.076 112.172 114.554 -0.510 0.000 2.883 415 T HA 0.557 4.907 4.350 0.000 0.000 0.296 415 T C -0.607 174.078 174.700 -0.026 0.000 1.117 415 T CA -0.879 61.162 62.100 -0.098 0.000 1.006 415 T CB 2.650 71.593 68.868 0.123 0.000 1.191 415 T HN 0.440 nan 8.240 nan 0.000 0.508 416 K N -0.525 119.863 120.400 -0.019 0.000 2.258 416 K HA 0.710 5.030 4.320 0.000 0.000 0.236 416 K C -1.381 175.134 176.600 -0.142 0.000 1.008 416 K CA -0.964 55.281 56.287 -0.069 0.000 0.869 416 K CB 2.002 34.464 32.500 -0.063 0.000 1.171 416 K HN 0.820 nan 8.250 nan 0.000 0.447 417 C N 3.120 122.201 119.300 -0.366 0.000 2.396 417 C HA 0.687 5.147 4.460 0.000 0.000 0.321 417 C C -1.081 173.666 174.990 -0.405 0.000 1.233 417 C CA -0.433 58.295 59.018 -0.483 0.000 1.440 417 C CB -0.049 27.125 27.740 -0.943 0.000 2.110 417 C HN 0.506 nan 8.230 nan 0.000 0.473 418 V N 5.067 124.888 119.914 -0.155 0.000 2.604 418 V HA 0.785 4.906 4.120 0.000 0.000 0.305 418 V C -0.619 175.492 176.094 0.028 0.000 1.043 418 V CA -0.632 61.647 62.300 -0.035 0.000 0.888 418 V CB 1.625 33.446 31.823 -0.002 0.000 0.995 418 V HN 0.947 nan 8.190 nan 0.000 0.429 419 M N 3.878 123.529 119.600 0.085 0.000 2.446 419 M HA 0.652 5.132 4.480 0.000 0.000 0.294 419 M C -0.944 175.408 176.300 0.087 0.000 1.158 419 M CA -0.523 54.830 55.300 0.087 0.000 0.899 419 M CB 2.873 35.541 32.600 0.113 0.000 1.687 419 M HN 0.874 nan 8.290 nan 0.000 0.455 420 K N 2.961 123.408 120.400 0.078 0.000 2.501 420 K HA 0.675 4.995 4.320 0.000 0.000 0.252 420 K C -1.937 174.689 176.600 0.043 0.000 0.934 420 K CA -0.568 55.775 56.287 0.093 0.000 0.797 420 K CB 2.483 35.071 32.500 0.146 0.000 1.270 420 K HN 0.847 nan 8.250 nan 0.000 0.431 421 M N 5.250 124.873 119.600 0.037 0.000 2.243 421 M HA 0.365 4.845 4.480 0.000 0.000 0.324 421 M C -1.596 174.721 176.300 0.029 0.000 1.031 421 M CA -0.875 54.402 55.300 -0.038 0.000 0.949 421 M CB 1.660 34.192 32.600 -0.114 0.000 1.615 421 M HN 0.393 nan 8.290 nan 0.000 0.430 422 V N 5.113 125.022 119.914 -0.009 0.000 2.333 422 V HA 0.360 4.480 4.120 0.000 0.000 0.274 422 V C -0.392 175.680 176.094 -0.036 0.000 1.028 422 V CA -0.574 61.735 62.300 0.014 0.000 0.851 422 V CB 0.677 32.546 31.823 0.076 0.000 1.000 422 V HN 0.962 nan 8.190 nan 0.000 0.456 423 C N 4.035 123.314 119.300 -0.036 0.000 2.397 423 C HA 0.957 5.417 4.460 0.000 0.000 0.343 423 C C 0.648 175.543 174.990 -0.159 0.000 1.188 423 C CA -0.593 58.378 59.018 -0.078 0.000 1.992 423 C CB 1.125 28.866 27.740 0.000 0.000 2.358 423 C HN 0.979 nan 8.230 nan 0.000 0.518 424 A N 2.486 125.151 122.820 -0.259 0.000 2.413 424 A HA 0.852 5.172 4.320 0.000 0.000 0.307 424 A C -0.402 176.996 177.584 -0.310 0.000 1.087 424 A CA -0.431 51.331 52.037 -0.458 0.000 0.750 424 A CB 0.492 18.818 19.000 -1.124 0.000 1.296 424 A HN 1.153 nan 8.150 nan 0.000 0.423 425 N N -0.172 118.379 118.700 -0.248 0.000 6.481 425 N HA -0.203 4.537 4.740 0.000 0.000 0.407 425 N C 0.726 176.190 175.510 -0.077 0.000 0.969 425 N CA 0.752 53.727 53.050 -0.124 0.000 1.867 425 N CB -0.084 38.340 38.487 -0.106 0.000 0.742 425 N HN 0.861 nan 8.380 nan 0.000 0.489 426 K N 1.471 121.845 120.400 -0.042 0.000 2.211 426 K HA -0.154 4.166 4.320 0.000 0.000 0.203 426 K C 1.036 177.626 176.600 -0.018 0.000 1.050 426 K CA 1.876 58.149 56.287 -0.023 0.000 0.945 426 K CB -0.052 32.441 32.500 -0.013 0.000 0.732 426 K HN 0.630 nan 8.250 nan 0.000 0.451 427 E N 1.062 121.247 120.200 -0.025 0.000 2.274 427 E HA -0.135 4.215 4.350 0.000 0.000 0.194 427 E C -0.400 176.184 176.600 -0.026 0.000 0.996 427 E CA 0.398 56.786 56.400 -0.019 0.000 0.840 427 E CB -0.364 29.324 29.700 -0.020 0.000 0.772 427 E HN 0.378 nan 8.360 nan 0.000 0.491 428 E N 1.203 121.377 120.200 -0.043 0.000 2.287 428 E HA -0.190 4.160 4.350 0.000 0.000 0.229 428 E C -0.410 176.150 176.600 -0.068 0.000 1.194 428 E CA 0.439 56.813 56.400 -0.044 0.000 0.704 428 E CB -1.413 28.290 29.700 0.004 0.000 1.216 428 E HN 0.230 nan 8.360 nan 0.000 0.381 429 K N 0.774 121.120 120.400 -0.090 0.000 2.412 429 K HA 0.165 4.485 4.320 0.000 0.000 0.281 429 K C -0.049 176.488 176.600 -0.105 0.000 1.027 429 K CA -0.213 56.025 56.287 -0.080 0.000 0.989 429 K CB 0.788 33.234 32.500 -0.090 0.000 0.935 429 K HN 0.015 nan 8.250 nan 0.000 0.475 430 V N 6.869 126.725 119.914 -0.098 0.000 2.397 430 V HA -0.014 4.106 4.120 0.000 0.000 0.262 430 V C 0.953 177.001 176.094 -0.075 0.000 1.047 430 V CA -0.068 62.144 62.300 -0.147 0.000 1.003 430 V CB 0.617 32.283 31.823 -0.262 0.000 1.037 430 V HN 0.779 nan 8.190 nan 0.000 0.480 431 V N 2.064 121.939 119.914 -0.066 0.000 3.643 431 V HA 0.663 4.783 4.120 0.000 0.000 0.280 431 V C 0.749 176.840 176.094 -0.004 0.000 1.351 431 V CA 0.635 62.934 62.300 -0.001 0.000 1.073 431 V CB 0.166 32.023 31.823 0.056 0.000 0.863 431 V HN 0.789 nan 8.190 nan 0.000 0.436 432 G N 0.129 108.887 108.800 -0.071 0.000 2.768 432 G HA2 0.693 4.653 3.960 0.000 0.000 0.297 432 G HA3 0.693 4.653 3.960 0.000 0.000 0.297 432 G C -1.625 173.060 174.900 -0.359 0.000 1.430 432 G CA -0.604 44.393 45.100 -0.172 0.000 1.030 432 G HN 0.160 nan 8.290 nan 0.000 0.553 433 I N 2.276 122.497 120.570 -0.582 0.000 2.499 433 I HA 0.441 4.612 4.170 0.000 0.000 0.288 433 I C -1.047 174.651 176.117 -0.698 0.000 1.048 433 I CA -0.913 60.096 61.300 -0.485 0.000 1.062 433 I CB 2.466 40.323 38.000 -0.239 0.000 1.238 433 I HN 0.418 nan 8.210 nan 0.000 0.426 434 H N 7.815 126.875 119.070 -0.017 0.000 2.759 434 H HA 0.699 5.255 4.556 0.000 0.000 0.354 434 H C -0.903 174.432 175.328 0.013 0.000 1.074 434 H CA -0.687 55.366 56.048 0.008 0.000 1.226 434 H CB 2.226 32.002 29.762 0.022 0.000 1.648 434 H HN 0.578 nan 8.280 nan 0.000 0.529 435 M N 1.025 120.696 119.600 0.117 0.000 2.578 435 M HA 0.503 4.983 4.480 0.000 0.000 0.276 435 M C -1.671 174.662 176.300 0.055 0.000 1.245 435 M CA -0.950 54.393 55.300 0.071 0.000 0.871 435 M CB 3.596 36.221 32.600 0.041 0.000 1.722 435 M HN 0.425 nan 8.290 nan 0.000 0.473 436 Q N 0.615 120.432 119.800 0.028 0.000 2.289 436 Q HA 0.793 5.133 4.340 0.000 0.000 0.270 436 Q C -1.285 174.712 176.000 -0.006 0.000 1.038 436 Q CA -0.228 55.582 55.803 0.011 0.000 0.812 436 Q CB 2.801 31.543 28.738 0.007 0.000 1.300 436 Q HN 1.221 nan 8.270 nan 0.000 0.427 437 G N 1.887 110.697 108.800 0.016 0.000 2.339 437 G HA2 0.147 4.107 3.960 0.000 0.000 0.302 437 G HA3 0.147 4.107 3.960 0.000 0.000 0.302 437 G C -1.580 173.368 174.900 0.080 0.000 1.425 437 G CA -1.103 44.009 45.100 0.020 0.000 0.899 437 G HN 0.606 nan 8.290 nan 0.000 0.619 438 L N 1.222 122.508 121.223 0.105 0.000 2.559 438 L HA 0.320 4.660 4.340 0.000 0.000 0.274 438 L C 1.793 178.744 176.870 0.136 0.000 1.205 438 L CA 1.811 56.731 54.840 0.134 0.000 0.907 438 L CB 0.482 42.608 42.059 0.112 0.000 1.153 438 L HN 2.004 nan 8.230 nan 0.000 0.490 439 G N 1.678 110.573 108.800 0.158 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 0.851 175.827 174.900 0.126 0.000 0.988 439 G CA 0.199 45.386 45.100 0.145 0.000 0.625 439 G HN 0.712 nan 8.290 nan 0.000 0.527 440 C N 2.111 121.473 119.300 0.103 0.000 2.419 440 C HA 0.047 4.507 4.460 0.000 0.000 0.283 440 C C 2.667 177.666 174.990 0.015 0.000 1.373 440 C CA 1.315 60.374 59.018 0.068 0.000 1.781 440 C CB -0.791 26.973 27.740 0.041 0.000 1.886 440 C HN 0.769 nan 8.230 nan 0.000 0.520 441 D N 1.035 121.429 120.400 -0.010 0.000 2.144 441 D HA -0.145 4.496 4.640 0.000 0.000 0.200 441 D C 1.557 177.866 176.300 0.014 0.000 0.978 441 D CA 1.276 55.219 54.000 -0.095 0.000 0.833 441 D CB -0.554 40.203 40.800 -0.073 0.000 0.961 441 D HN 0.438 nan 8.370 nan 0.000 0.470 442 E N -0.540 119.703 120.200 0.071 0.000 2.452 442 E HA 0.109 4.459 4.350 0.000 0.000 0.197 442 E C 1.870 178.505 176.600 0.060 0.000 1.022 442 E CA -0.133 56.308 56.400 0.070 0.000 0.890 442 E CB 0.238 29.987 29.700 0.081 0.000 0.918 442 E HN 0.381 nan 8.360 nan 0.000 0.496 443 M N 0.235 119.889 119.600 0.090 0.000 2.435 443 M HA -0.019 4.461 4.480 0.000 0.000 0.265 443 M C 1.930 178.344 176.300 0.190 0.000 1.104 443 M CA 0.447 55.833 55.300 0.145 0.000 1.140 443 M CB 0.213 32.941 32.600 0.214 0.000 1.372 443 M HN 0.090 nan 8.290 nan 0.000 0.456 444 L N 0.774 122.086 121.223 0.149 0.000 2.056 444 L HA -0.196 4.144 4.340 0.000 0.000 0.207 444 L C 2.285 179.219 176.870 0.106 0.000 1.078 444 L CA 1.918 56.858 54.840 0.168 0.000 0.749 444 L CB -0.735 41.367 42.059 0.073 0.000 0.901 444 L HN 0.336 nan 8.230 nan 0.000 0.433 445 Q N -0.359 119.459 119.800 0.030 0.000 2.062 445 Q HA -0.207 4.133 4.340 0.000 0.000 0.209 445 Q C 2.068 178.041 176.000 -0.046 0.000 0.996 445 Q CA 2.517 58.315 55.803 -0.008 0.000 0.859 445 Q CB -0.949 27.779 28.738 -0.018 0.000 0.920 445 Q HN 0.556 nan 8.270 nan 0.000 0.415 446 G N -1.514 107.206 108.800 -0.134 0.000 2.421 446 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 446 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 446 G C 1.047 175.811 174.900 -0.226 0.000 1.143 446 G CA 0.572 45.536 45.100 -0.226 0.000 0.784 446 G HN 0.419 nan 8.290 nan 0.000 0.541 447 F N 1.617 121.543 119.950 -0.040 0.000 2.293 447 F HA 0.070 4.597 4.527 0.000 0.000 0.300 447 F C 2.981 178.796 175.800 0.026 0.000 1.086 447 F CA 0.576 58.569 58.000 -0.012 0.000 1.375 447 F CB 0.017 39.059 39.000 0.070 0.000 1.045 447 F HN 0.224 nan 8.300 nan 0.000 0.516 448 A N 0.010 122.919 122.820 0.149 0.000 1.933 448 A HA -0.114 4.206 4.320 0.000 0.000 0.218 448 A C 2.305 179.916 177.584 0.046 0.000 1.175 448 A CA 1.698 53.783 52.037 0.080 0.000 0.628 448 A CB -1.103 17.919 19.000 0.036 0.000 0.814 448 A HN 0.182 nan 8.150 nan 0.000 0.444 449 V N -0.170 119.751 119.914 0.012 0.000 2.295 449 V HA -0.244 3.876 4.120 0.000 0.000 0.246 449 V C 3.059 179.159 176.094 0.010 0.000 1.049 449 V CA 1.950 64.244 62.300 -0.011 0.000 1.024 449 V CB -1.278 30.515 31.823 -0.049 0.000 0.648 449 V HN 0.605 nan 8.190 nan 0.000 0.447 450 A N -0.268 122.566 122.820 0.023 0.000 1.902 450 A HA -0.156 4.164 4.320 0.000 0.000 0.217 450 A C 2.391 180.057 177.584 0.136 0.000 1.181 450 A CA 2.077 54.149 52.037 0.057 0.000 0.623 450 A CB -0.690 18.317 19.000 0.012 0.000 0.818 450 A HN 0.333 nan 8.150 nan 0.000 0.443 451 V N 0.173 120.186 119.914 0.165 0.000 2.358 451 V HA -0.227 3.893 4.120 0.000 0.000 0.246 451 V C 2.563 178.702 176.094 0.075 0.000 1.047 451 V CA 2.386 64.768 62.300 0.136 0.000 1.035 451 V CB -0.597 31.294 31.823 0.114 0.000 0.658 451 V HN 0.614 nan 8.190 nan 0.000 0.452 452 K N 0.250 120.681 120.400 0.051 0.000 2.103 452 K HA -0.105 4.215 4.320 0.000 0.000 0.207 452 K C 1.903 178.519 176.600 0.026 0.000 1.048 452 K CA 1.790 58.092 56.287 0.026 0.000 0.930 452 K CB -0.370 32.135 32.500 0.008 0.000 0.716 452 K HN 0.411 nan 8.250 nan 0.000 0.444 453 M N -1.193 118.426 119.600 0.032 0.000 2.619 453 M HA 0.109 4.589 4.480 0.000 0.000 0.251 453 M C 0.601 176.924 176.300 0.038 0.000 1.106 453 M CA 0.897 56.213 55.300 0.027 0.000 1.086 453 M CB 0.357 32.969 32.600 0.021 0.000 1.465 453 M HN 0.412 nan 8.290 nan 0.000 0.506 454 G N 1.176 110.008 108.800 0.053 0.000 2.203 454 G HA2 -0.122 3.838 3.960 0.000 0.000 0.231 454 G HA3 -0.122 3.838 3.960 0.000 0.000 0.231 454 G C 0.037 174.978 174.900 0.069 0.000 1.058 454 G CA -0.085 45.047 45.100 0.053 0.000 0.781 454 G HN 0.673 nan 8.290 nan 0.000 0.496 455 A N -0.025 122.864 122.820 0.115 0.000 2.425 455 A HA 0.789 5.109 4.320 0.000 0.000 0.242 455 A C 1.090 178.747 177.584 0.121 0.000 1.077 455 A CA 1.207 53.342 52.037 0.163 0.000 0.781 455 A CB 0.353 19.560 19.000 0.345 0.000 1.020 455 A HN 1.931 nan 8.150 nan 0.000 0.494 456 T N -1.250 113.368 114.554 0.107 0.000 2.937 456 T HA 0.450 4.800 4.350 0.000 0.000 0.283 456 T C 0.886 175.606 174.700 0.034 0.000 1.012 456 T CA -0.110 62.009 62.100 0.032 0.000 0.997 456 T CB 1.162 70.042 68.868 0.020 0.000 1.136 456 T HN 0.608 nan 8.240 nan 0.000 0.551 457 K N 0.356 120.714 120.400 -0.070 0.000 2.148 457 K HA 0.094 4.414 4.320 0.000 0.000 0.204 457 K C 2.284 178.883 176.600 -0.003 0.000 1.050 457 K CA 1.536 57.743 56.287 -0.134 0.000 0.942 457 K CB -0.979 31.387 32.500 -0.223 0.000 0.724 457 K HN 0.679 nan 8.250 nan 0.000 0.446 458 A N 1.155 123.986 122.820 0.018 0.000 1.933 458 A HA -0.187 4.133 4.320 0.000 0.000 0.218 458 A C 1.669 179.303 177.584 0.082 0.000 1.175 458 A CA 1.923 53.980 52.037 0.034 0.000 0.628 458 A CB -0.604 18.409 19.000 0.021 0.000 0.814 458 A HN 0.448 nan 8.150 nan 0.000 0.444 459 D N -0.779 119.700 120.400 0.131 0.000 2.117 459 D HA -0.133 4.507 4.640 0.000 0.000 0.197 459 D C 1.621 178.025 176.300 0.174 0.000 0.987 459 D CA 1.181 55.264 54.000 0.138 0.000 0.829 459 D CB -0.369 40.523 40.800 0.154 0.000 0.961 459 D HN 0.438 nan 8.370 nan 0.000 0.460 460 F N 1.869 121.820 119.950 0.001 0.000 2.075 460 F HA -0.132 4.395 4.527 0.000 0.000 0.297 460 F C 2.220 178.017 175.800 -0.004 0.000 1.113 460 F CA 0.962 58.973 58.000 0.018 0.000 1.218 460 F CB -0.595 38.400 39.000 -0.009 0.000 0.984 460 F HN -0.130 nan 8.300 nan 0.000 0.472 461 D N -0.453 120.054 120.400 0.178 0.000 2.218 461 D HA -0.141 4.499 4.640 0.000 0.000 0.204 461 D C 1.489 177.813 176.300 0.040 0.000 0.976 461 D CA 0.920 54.960 54.000 0.067 0.000 0.853 461 D CB -0.483 40.321 40.800 0.006 0.000 0.939 461 D HN 0.240 nan 8.370 nan 0.000 0.481 462 N N 0.005 118.730 118.700 0.042 0.000 2.383 462 N HA -0.009 4.731 4.740 0.000 0.000 0.192 462 N C -0.325 175.188 175.510 0.005 0.000 1.141 462 N CA 0.293 53.354 53.050 0.018 0.000 0.851 462 N CB 0.475 38.971 38.487 0.016 0.000 0.976 462 N HN 0.028 nan 8.380 nan 0.000 0.465 463 T N 0.816 115.373 114.554 0.005 0.000 2.744 463 T HA 0.280 4.630 4.350 0.000 0.000 0.291 463 T C 0.503 175.200 174.700 -0.005 0.000 0.957 463 T CA -0.437 61.652 62.100 -0.019 0.000 1.002 463 T CB 2.160 70.994 68.868 -0.057 0.000 0.919 463 T HN -0.256 nan 8.240 nan 0.000 0.468 464 V N 3.411 123.319 119.914 -0.010 0.000 2.655 464 V HA 0.336 4.456 4.120 0.000 0.000 0.300 464 V C 0.980 177.077 176.094 0.005 0.000 1.044 464 V CA -0.466 61.832 62.300 -0.004 0.000 1.095 464 V CB 0.367 32.186 31.823 -0.007 0.000 0.952 464 V HN 1.088 nan 8.190 nan 0.000 0.485 465 A N 6.180 129.009 122.820 0.015 0.000 2.366 465 A HA 0.636 4.956 4.320 0.000 0.000 0.249 465 A C -0.255 177.358 177.584 0.049 0.000 1.084 465 A CA -0.336 51.723 52.037 0.037 0.000 0.794 465 A CB 0.133 19.151 19.000 0.030 0.000 1.034 465 A HN 0.747 nan 8.150 nan 0.000 0.491 466 I N 1.123 121.735 120.570 0.070 0.000 2.355 466 I HA 0.299 4.469 4.170 0.000 0.000 0.288 466 I C -0.374 175.823 176.117 0.134 0.000 0.999 466 I CA -0.125 61.222 61.300 0.077 0.000 1.163 466 I CB 1.230 39.258 38.000 0.047 0.000 1.316 466 I HN 0.802 nan 8.210 nan 0.000 0.454 467 H N 7.505 126.582 119.070 0.012 0.000 2.572 467 H HA 0.647 5.203 4.556 0.000 0.000 0.359 467 H C -2.596 172.742 175.328 0.016 0.000 1.134 467 H CA -1.833 54.222 56.048 0.012 0.000 1.187 467 H CB 1.829 31.594 29.762 0.004 0.000 1.597 467 H HN 0.298 nan 8.280 nan 0.000 0.524 468 P HA 0.330 nan 4.420 nan 0.000 0.301 468 P C -1.255 175.979 177.300 -0.111 0.000 1.348 468 P CA -0.625 62.160 63.100 -0.524 0.000 0.826 468 P CB 1.529 32.876 31.700 -0.588 0.000 0.945 469 T N -2.086 112.480 114.554 0.019 0.000 2.812 469 T HA 0.392 4.742 4.350 0.000 0.000 0.294 469 T C 0.759 175.535 174.700 0.126 0.000 1.159 469 T CA -0.507 61.639 62.100 0.076 0.000 1.008 469 T CB 1.139 70.059 68.868 0.086 0.000 1.289 469 T HN -0.036 nan 8.240 nan 0.000 0.514 470 S N 0.549 116.363 115.700 0.191 0.000 2.406 470 S HA -0.030 4.440 4.470 0.000 0.000 0.224 470 S C 2.340 177.093 174.600 0.255 0.000 1.030 470 S CA 1.161 59.545 58.200 0.306 0.000 0.958 470 S CB -0.550 62.884 63.200 0.390 0.000 0.811 470 S HN 0.929 nan 8.310 nan 0.000 0.489 471 S N 2.754 118.587 115.700 0.222 0.000 2.400 471 S HA -0.228 4.242 4.470 0.000 0.000 0.232 471 S C 1.743 176.487 174.600 0.240 0.000 1.025 471 S CA 1.364 59.725 58.200 0.268 0.000 0.993 471 S CB -0.707 62.660 63.200 0.278 0.000 0.808 471 S HN 0.805 nan 8.310 nan 0.000 0.478 472 E N 1.292 121.589 120.200 0.162 0.000 2.265 472 E HA -0.193 4.157 4.350 0.000 0.000 0.196 472 E C 1.567 178.212 176.600 0.074 0.000 0.996 472 E CA 1.131 57.603 56.400 0.120 0.000 0.832 472 E CB -0.352 29.409 29.700 0.101 0.000 0.756 472 E HN 0.461 nan 8.360 nan 0.000 0.491 473 E N 1.123 121.348 120.200 0.041 0.000 2.153 473 E HA -0.116 4.234 4.350 0.000 0.000 0.194 473 E C 2.168 178.785 176.600 0.028 0.000 0.988 473 E CA 0.685 57.078 56.400 -0.013 0.000 0.811 473 E CB -0.176 29.501 29.700 -0.038 0.000 0.746 473 E HN 0.455 nan 8.360 nan 0.000 0.466 474 L N 0.745 121.995 121.223 0.045 0.000 2.291 474 L HA -0.078 4.262 4.340 0.000 0.000 0.214 474 L C 2.107 179.042 176.870 0.108 0.000 1.120 474 L CA 0.679 55.510 54.840 -0.015 0.000 0.799 474 L CB -0.040 41.837 42.059 -0.303 0.000 0.925 474 L HN 0.048 nan 8.230 nan 0.000 0.446 475 V N -4.971 115.028 119.914 0.142 0.000 3.621 475 V HA 0.101 4.221 4.120 0.000 0.000 0.285 475 V C 1.270 177.403 176.094 0.065 0.000 1.346 475 V CA 0.707 63.106 62.300 0.165 0.000 1.104 475 V CB -0.252 31.662 31.823 0.150 0.000 0.913 475 V HN 0.424 nan 8.190 nan 0.000 0.432 476 T N -1.733 112.832 114.554 0.018 0.000 3.339 476 T HA 0.491 4.841 4.350 0.000 0.000 0.292 476 T C 0.050 174.723 174.700 -0.044 0.000 1.012 476 T CA -0.288 61.800 62.100 -0.020 0.000 0.937 476 T CB -0.380 68.472 68.868 -0.028 0.000 1.164 476 T HN 0.316 nan 8.240 nan 0.000 0.509 477 L N 1.692 122.870 121.223 -0.075 0.000 2.397 477 L HA 0.585 4.925 4.340 0.000 0.000 0.271 477 L C 0.749 177.535 176.870 -0.141 0.000 1.148 477 L CA -0.429 54.356 54.840 -0.092 0.000 0.825 477 L CB 0.652 42.630 42.059 -0.134 0.000 1.117 477 L HN 0.194 nan 8.230 nan 0.000 0.456 478 R N 0.000 120.497 120.500 -0.004 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.136 56.100 0.059 0.000 0.921 478 R CB 0.000 30.318 30.300 0.029 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535