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 3eoq_1_B DATA FIRST_RESID 2 DATA SEQUENCE FREAELRNGL RVIAEVVPGA RSVALGYFVK TGARDETKEE SGVSHFLEHX DATA SEQUENCE VFKGPEDXDA LAVNRAFDRX GAQYNAFTSE EATVYYGAVL PEFAYDLLGL DATA SEQUENCE FAKLLRPALR EEDFQTEKLV ILEEIARYQD RPGFXAYEWA RARFFQGHPL DATA SEQUENCE GNSVLGTRES ITALTREGXA AYHRRRYLPK NXVLAATGRV DFDRLLAEAE DATA SEQUENCE RLTEAWPEGE AERAYPPLTP AFGVEERPYE KARALYLVAL FPGVAYQEEA DATA SEQUENCE RFPGQVLAHL LGEEGSGRLH FALVDKGLAE VASFGLEEAD RAGTFHAYVQ DATA SEQUENCE ADPARKGEVL AVLQEELDRL GREGVGEEEV ERAKTPLATG LVFAGETPXQ DATA SEQUENCE RLFHLGXEYL YTGRYLSLEE VKARVQRVTS REVNALLERG FLEKGLYYLV DATA SEQUENCE LPHGA 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.541 175.800 -0.432 0.000 0.967 2 F CA 0.000 57.722 58.000 -0.463 0.000 1.383 2 F CB 0.000 38.524 39.000 -0.794 0.000 1.145 3 R N 3.962 123.658 120.500 -1.341 0.000 2.750 3 R HA 0.620 4.959 4.340 -0.000 0.000 0.281 3 R C -1.331 173.954 176.300 -1.691 0.000 0.972 3 R CA -0.840 54.390 56.100 -1.449 0.000 0.912 3 R CB 2.329 31.534 30.300 -1.825 0.000 1.187 3 R HN 0.845 nan 8.270 nan 0.000 0.464 4 E N 0.636 120.192 120.200 -1.072 0.000 2.343 4 E HA 0.797 5.147 4.350 -0.000 0.000 0.278 4 E C -1.607 174.945 176.600 -0.081 0.000 0.910 4 E CA -1.060 55.032 56.400 -0.514 0.000 0.757 4 E CB 2.280 31.792 29.700 -0.312 0.000 1.218 4 E HN 0.589 nan 8.360 nan 0.000 0.435 5 A N 1.933 124.834 122.820 0.134 0.000 2.588 5 A HA 0.677 4.996 4.320 -0.000 0.000 0.290 5 A C -1.555 176.077 177.584 0.079 0.000 1.136 5 A CA -0.762 51.358 52.037 0.139 0.000 0.681 5 A CB 2.129 21.259 19.000 0.216 0.000 1.282 5 A HN 0.696 nan 8.150 nan 0.000 0.421 6 E N 0.639 120.873 120.200 0.056 0.000 2.246 6 E HA 0.555 4.905 4.350 -0.000 0.000 0.266 6 E C -1.100 175.508 176.600 0.014 0.000 0.880 6 E CA -0.534 55.892 56.400 0.043 0.000 0.762 6 E CB 1.170 30.906 29.700 0.060 0.000 1.180 6 E HN 0.622 nan 8.360 nan 0.000 0.416 7 L N 3.689 124.909 121.223 -0.004 0.000 2.476 7 L HA 0.201 4.541 4.340 -0.000 0.000 0.264 7 L C 1.864 178.731 176.870 -0.006 0.000 1.224 7 L CA -0.026 54.799 54.840 -0.024 0.000 0.821 7 L CB 0.294 42.325 42.059 -0.047 0.000 1.101 7 L HN 0.680 nan 8.230 nan 0.000 0.488 8 R N 1.067 121.558 120.500 -0.015 0.000 2.117 8 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 8 R C 1.549 177.854 176.300 0.010 0.000 1.143 8 R CA 1.825 57.923 56.100 -0.003 0.000 0.968 8 R CB -0.417 29.877 30.300 -0.010 0.000 0.863 8 R HN 0.736 nan 8.270 nan 0.000 0.444 9 N N -0.352 118.355 118.700 0.011 0.000 2.521 9 N HA 0.000 4.740 4.740 -0.000 0.000 0.188 9 N C 0.935 176.477 175.510 0.055 0.000 1.146 9 N CA 1.042 54.114 53.050 0.037 0.000 0.893 9 N CB 0.442 38.958 38.487 0.048 0.000 0.975 9 N HN 0.315 nan 8.380 nan 0.000 0.451 10 G N -0.792 108.036 108.800 0.046 0.000 2.175 10 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 10 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 10 G C -0.306 174.639 174.900 0.075 0.000 0.982 10 G CA 0.118 45.253 45.100 0.058 0.000 0.641 10 G HN 0.481 nan 8.290 nan 0.000 0.527 11 L N 2.121 123.388 121.223 0.074 0.000 2.500 11 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 11 L C 0.941 177.849 176.870 0.063 0.000 1.149 11 L CA -0.225 54.669 54.840 0.089 0.000 0.897 11 L CB 0.143 42.251 42.059 0.082 0.000 1.178 11 L HN 0.262 nan 8.230 nan 0.000 0.473 12 R N 3.877 124.430 120.500 0.087 0.000 2.347 12 R HA 0.429 4.769 4.340 -0.000 0.000 0.304 12 R C -1.001 175.295 176.300 -0.007 0.000 1.072 12 R CA -0.376 55.768 56.100 0.074 0.000 0.980 12 R CB 0.785 31.195 30.300 0.185 0.000 0.986 12 R HN 0.478 nan 8.270 nan 0.000 0.448 13 V N 6.194 126.087 119.914 -0.035 0.000 2.378 13 V HA 0.389 4.509 4.120 -0.000 0.000 0.288 13 V C 0.111 176.179 176.094 -0.043 0.000 1.016 13 V CA -0.666 61.599 62.300 -0.059 0.000 0.840 13 V CB 1.080 32.849 31.823 -0.090 0.000 0.994 13 V HN 0.644 nan 8.190 nan 0.000 0.431 14 I N 2.193 122.671 120.570 -0.154 0.000 2.797 14 I HA 1.070 5.240 4.170 -0.000 0.000 0.307 14 I C -0.336 175.693 176.117 -0.146 0.000 1.033 14 I CA -0.824 60.306 61.300 -0.283 0.000 1.071 14 I CB 2.383 40.113 38.000 -0.451 0.000 1.255 14 I HN 0.597 nan 8.210 nan 0.000 0.445 15 A N 3.478 126.102 122.820 -0.328 0.000 2.574 15 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 15 A C -1.247 176.208 177.584 -0.215 0.000 1.062 15 A CA -0.647 51.307 52.037 -0.139 0.000 0.686 15 A CB 1.645 20.688 19.000 0.071 0.000 1.285 15 A HN 0.813 nan 8.150 nan 0.000 0.403 16 E N 1.197 121.388 120.200 -0.016 0.000 2.055 16 E HA 0.420 4.769 4.350 -0.000 0.000 0.274 16 E C -0.977 175.635 176.600 0.020 0.000 0.949 16 E CA -0.478 55.938 56.400 0.026 0.000 0.775 16 E CB 1.658 31.438 29.700 0.134 0.000 1.097 16 E HN 0.364 nan 8.360 nan 0.000 0.404 17 V N 4.564 124.465 119.914 -0.022 0.000 2.368 17 V HA 0.111 4.231 4.120 -0.000 0.000 0.266 17 V C -0.080 176.030 176.094 0.026 0.000 1.045 17 V CA -0.511 61.794 62.300 0.007 0.000 0.899 17 V CB 0.969 32.782 31.823 -0.016 0.000 1.006 17 V HN 0.393 nan 8.190 nan 0.000 0.470 18 V N 7.941 127.882 119.914 0.044 0.000 2.266 18 V HA 0.258 4.378 4.120 -0.000 0.000 0.271 18 V C -1.660 174.460 176.094 0.044 0.000 1.032 18 V CA -1.244 61.084 62.300 0.048 0.000 0.806 18 V CB 1.361 33.221 31.823 0.061 0.000 1.052 18 V HN 0.667 nan 8.190 nan 0.000 0.449 19 P HA -0.047 nan 4.420 nan 0.000 0.222 19 P C 1.613 178.934 177.300 0.035 0.000 1.147 19 P CA 1.084 64.205 63.100 0.035 0.000 0.790 19 P CB 0.340 32.058 31.700 0.030 0.000 0.780 20 G N -0.603 108.219 108.800 0.036 0.000 2.623 20 G HA2 0.144 4.104 3.960 -0.000 0.000 0.214 20 G HA3 0.144 4.104 3.960 -0.000 0.000 0.214 20 G C 0.695 175.619 174.900 0.039 0.000 1.138 20 G CA 0.338 45.458 45.100 0.035 0.000 0.794 20 G HN 0.419 nan 8.290 nan 0.000 0.535 21 A N -0.100 122.747 122.820 0.045 0.000 2.386 21 A HA 0.598 4.918 4.320 -0.000 0.000 0.246 21 A C 1.050 178.663 177.584 0.048 0.000 1.089 21 A CA -0.144 51.923 52.037 0.051 0.000 0.790 21 A CB 0.325 19.362 19.000 0.061 0.000 1.042 21 A HN 0.292 nan 8.150 nan 0.000 0.497 22 R N -0.434 120.098 120.500 0.053 0.000 2.543 22 R HA 0.215 4.555 4.340 -0.000 0.000 0.323 22 R C -0.174 176.164 176.300 0.063 0.000 1.002 22 R CA 0.688 56.819 56.100 0.052 0.000 1.106 22 R CB 0.452 30.780 30.300 0.048 0.000 1.280 22 R HN 0.828 nan 8.270 nan 0.000 0.549 23 S N -1.775 113.967 115.700 0.070 0.000 2.671 23 S HA 0.606 5.076 4.470 -0.000 0.000 0.277 23 S C -0.917 173.732 174.600 0.083 0.000 1.165 23 S CA -0.812 57.439 58.200 0.085 0.000 0.822 23 S CB 2.211 65.469 63.200 0.098 0.000 1.150 23 S HN -0.155 nan 8.310 nan 0.000 0.479 24 V N 1.023 120.994 119.914 0.094 0.000 2.483 24 V HA 0.809 4.929 4.120 -0.000 0.000 0.297 24 V C 0.052 176.230 176.094 0.140 0.000 1.027 24 V CA -0.347 62.008 62.300 0.092 0.000 0.855 24 V CB 1.185 33.029 31.823 0.036 0.000 0.995 24 V HN 1.279 nan 8.190 nan 0.000 0.424 25 A N 6.001 128.920 122.820 0.165 0.000 2.292 25 A HA 0.978 5.297 4.320 -0.000 0.000 0.319 25 A C -0.805 176.924 177.584 0.242 0.000 1.206 25 A CA -0.377 51.796 52.037 0.226 0.000 0.835 25 A CB 0.968 20.118 19.000 0.250 0.000 1.164 25 A HN 1.206 nan 8.150 nan 0.000 0.505 26 L N -0.044 121.358 121.223 0.298 0.000 2.415 26 L HA 1.068 5.408 4.340 -0.000 0.000 0.256 26 L C -0.218 176.855 176.870 0.338 0.000 1.010 26 L CA -0.250 54.756 54.840 0.277 0.000 0.826 26 L CB 1.745 43.920 42.059 0.192 0.000 1.405 26 L HN 1.096 nan 8.230 nan 0.000 0.410 27 G N -0.322 108.646 108.800 0.280 0.000 2.673 27 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 27 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 27 G C -2.346 172.657 174.900 0.172 0.000 1.450 27 G CA -0.632 44.586 45.100 0.197 0.000 0.837 27 G HN 0.570 nan 8.290 nan 0.000 0.505 28 Y N -0.059 120.285 120.300 0.073 0.000 2.328 28 Y HA 0.605 5.155 4.550 -0.000 0.000 0.337 28 Y C -0.290 175.667 175.900 0.096 0.000 1.008 28 Y CA -0.427 57.801 58.100 0.213 0.000 1.129 28 Y CB 1.725 40.310 38.460 0.208 0.000 1.185 28 Y HN 0.339 nan 8.280 nan 0.000 0.476 29 F N 2.680 122.739 119.950 0.182 0.000 2.444 29 F HA 0.576 5.103 4.527 -0.001 0.000 0.342 29 F C -0.600 175.218 175.800 0.030 0.000 1.121 29 F CA -1.162 56.880 58.000 0.070 0.000 0.997 29 F CB 1.354 40.350 39.000 -0.006 0.000 1.130 29 F HN 0.066 nan 8.300 nan 0.000 0.454 30 V N 3.288 123.247 119.914 0.076 0.000 2.417 30 V HA 0.249 4.368 4.120 -0.000 0.000 0.291 30 V C 0.115 176.159 176.094 -0.083 0.000 1.024 30 V CA -1.274 60.965 62.300 -0.103 0.000 0.861 30 V CB 1.629 33.177 31.823 -0.459 0.000 0.985 30 V HN 0.646 nan 8.190 nan 0.000 0.436 31 K N 2.984 123.325 120.400 -0.099 0.000 2.243 31 K HA 0.305 4.625 4.320 -0.000 0.000 0.232 31 K C -0.195 176.326 176.600 -0.132 0.000 1.237 31 K CA 0.261 56.467 56.287 -0.134 0.000 1.161 31 K CB -0.134 32.281 32.500 -0.141 0.000 1.505 31 K HN 0.817 nan 8.250 nan 0.000 0.271 32 T N 0.474 114.974 114.554 -0.089 0.000 3.097 32 T HA 0.627 4.977 4.350 -0.000 0.000 0.332 32 T C -0.916 173.820 174.700 0.061 0.000 1.269 32 T CA -0.335 61.756 62.100 -0.015 0.000 1.076 32 T CB 1.440 70.313 68.868 0.007 0.000 1.209 32 T HN 0.599 nan 8.240 nan 0.000 0.474 33 G N 1.087 109.934 108.800 0.079 0.000 2.650 33 G HA2 0.631 4.591 3.960 -0.000 0.000 0.310 33 G HA3 0.631 4.591 3.960 -0.000 0.000 0.310 33 G C 1.010 175.932 174.900 0.037 0.000 1.270 33 G CA 0.211 45.347 45.100 0.059 0.000 0.810 33 G HN 0.976 nan 8.290 nan 0.000 0.493 34 A N -0.026 122.777 122.820 -0.029 0.000 1.958 34 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 34 A C 2.239 179.789 177.584 -0.058 0.000 1.178 34 A CA 2.630 54.630 52.037 -0.062 0.000 0.642 34 A CB -0.621 18.319 19.000 -0.100 0.000 0.816 34 A HN 0.863 nan 8.150 nan 0.000 0.453 35 R N -0.874 119.587 120.500 -0.065 0.000 2.235 35 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 35 R C 0.183 176.431 176.300 -0.087 0.000 1.059 35 R CA 1.509 57.551 56.100 -0.095 0.000 0.997 35 R CB -0.337 29.896 30.300 -0.112 0.000 0.884 35 R HN 0.389 nan 8.270 nan 0.000 0.462 36 D N 0.946 121.332 120.400 -0.025 0.000 2.349 36 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 36 D C -0.406 175.960 176.300 0.110 0.000 1.063 36 D CA 0.224 54.230 54.000 0.009 0.000 0.847 36 D CB 0.367 41.181 40.800 0.024 0.000 0.933 36 D HN 0.436 nan 8.370 nan 0.000 0.513 37 E N 1.362 121.611 120.200 0.081 0.000 2.283 37 E HA 0.175 4.525 4.350 -0.000 0.000 0.278 37 E C 0.566 177.175 176.600 0.016 0.000 1.027 37 E CA -0.320 56.121 56.400 0.068 0.000 0.843 37 E CB 1.221 30.890 29.700 -0.052 0.000 1.062 37 E HN 0.014 nan 8.360 nan 0.000 0.401 38 T N -0.242 114.330 114.554 0.030 0.000 2.802 38 T HA 0.012 4.361 4.350 -0.000 0.000 0.305 38 T C 1.138 175.829 174.700 -0.015 0.000 1.053 38 T CA -0.446 61.655 62.100 0.002 0.000 1.058 38 T CB 1.110 69.986 68.868 0.013 0.000 0.988 38 T HN 0.549 nan 8.240 nan 0.000 0.539 39 K N 0.645 121.035 120.400 -0.017 0.000 2.044 39 K HA -0.215 4.104 4.320 -0.000 0.000 0.210 39 K C 2.136 178.728 176.600 -0.014 0.000 1.049 39 K CA 2.112 58.388 56.287 -0.018 0.000 0.927 39 K CB -0.281 32.211 32.500 -0.014 0.000 0.713 39 K HN 0.742 nan 8.250 nan 0.000 0.443 40 E N 0.443 120.638 120.200 -0.007 0.000 2.110 40 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 40 E C 1.211 177.809 176.600 -0.003 0.000 0.988 40 E CA 1.723 58.123 56.400 -0.001 0.000 0.804 40 E CB -0.032 29.671 29.700 0.004 0.000 0.745 40 E HN 0.619 nan 8.360 nan 0.000 0.458 41 E N 0.424 120.615 120.200 -0.016 0.000 2.419 41 E HA 0.110 4.460 4.350 -0.000 0.000 0.190 41 E C -0.080 176.474 176.600 -0.077 0.000 1.040 41 E CA -0.120 56.256 56.400 -0.041 0.000 0.900 41 E CB 0.330 29.997 29.700 -0.055 0.000 1.054 41 E HN -0.089 nan 8.360 nan 0.000 0.462 42 S N 0.564 116.231 115.700 -0.055 0.000 2.673 42 S HA 0.210 4.680 4.470 -0.000 0.000 0.308 42 S C 1.213 175.774 174.600 -0.065 0.000 1.246 42 S CA 1.183 59.343 58.200 -0.067 0.000 1.077 42 S CB -0.060 63.110 63.200 -0.050 0.000 0.814 42 S HN 0.723 nan 8.310 nan 0.000 0.503 43 G N 3.041 111.788 108.800 -0.088 0.000 2.176 43 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.232 43 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.232 43 G C 0.803 175.695 174.900 -0.012 0.000 0.986 43 G CA 0.269 45.336 45.100 -0.054 0.000 0.643 43 G HN 1.122 nan 8.290 nan 0.000 0.522 44 V N 1.595 121.438 119.914 -0.119 0.000 2.407 44 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 44 V C 2.918 178.889 176.094 -0.204 0.000 1.055 44 V CA 3.561 65.749 62.300 -0.186 0.000 1.049 44 V CB -0.089 31.485 31.823 -0.414 0.000 0.662 44 V HN 1.225 nan 8.190 nan 0.000 0.455 45 S N -1.012 114.528 115.700 -0.266 0.000 2.383 45 S HA -0.308 4.162 4.470 -0.000 0.000 0.227 45 S C 2.159 176.839 174.600 0.132 0.000 1.026 45 S CA 1.780 59.961 58.200 -0.032 0.000 0.981 45 S CB -0.903 62.336 63.200 0.065 0.000 0.818 45 S HN 0.862 nan 8.310 nan 0.000 0.472 46 H N -0.358 118.707 119.070 -0.008 0.000 2.363 46 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 46 H C 1.991 177.355 175.328 0.059 0.000 1.074 46 H CA 1.335 57.382 56.048 -0.001 0.000 1.354 46 H CB -0.507 29.183 29.762 -0.120 0.000 1.397 46 H HN 0.621 nan 8.280 nan 0.000 0.516 47 F N 0.742 120.520 119.950 -0.286 0.000 2.126 47 F HA -0.249 4.277 4.527 -0.000 0.000 0.299 47 F C 2.501 178.237 175.800 -0.106 0.000 1.096 47 F CA 0.618 58.436 58.000 -0.304 0.000 1.255 47 F CB 0.017 38.895 39.000 -0.203 0.000 0.997 47 F HN 0.219 nan 8.300 nan 0.000 0.479 48 L N 1.231 122.510 121.223 0.094 0.000 2.042 48 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 48 L C 2.363 179.361 176.870 0.214 0.000 1.076 48 L CA 2.108 56.983 54.840 0.059 0.000 0.749 48 L CB -1.194 40.897 42.059 0.054 0.000 0.893 48 L HN 0.278 nan 8.230 nan 0.000 0.432 49 E N -0.899 119.487 120.200 0.309 0.000 2.070 49 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 49 E C 0.695 177.633 176.600 0.564 0.000 1.004 49 E CA 0.916 57.606 56.400 0.484 0.000 0.805 49 E CB -0.308 29.592 29.700 0.334 0.000 0.744 49 E HN 0.675 nan 8.360 nan 0.000 0.451 53 F N 1.146 121.201 119.950 0.174 0.000 2.748 53 F HA 0.141 4.667 4.527 -0.001 0.000 0.299 53 F C 2.063 177.931 175.800 0.113 0.000 1.154 53 F CA 0.703 58.807 58.000 0.174 0.000 1.446 53 F CB 0.082 39.200 39.000 0.196 0.000 1.112 53 F HN 0.050 nan 8.300 nan 0.000 0.584 54 K N 0.531 121.044 120.400 0.188 0.000 2.366 54 K HA 0.225 4.545 4.320 -0.000 0.000 0.198 54 K C 1.051 177.687 176.600 0.060 0.000 1.044 54 K CA 0.867 57.227 56.287 0.122 0.000 0.973 54 K CB -0.585 31.982 32.500 0.111 0.000 0.767 54 K HN 0.321 nan 8.250 nan 0.000 0.475 55 G N 1.921 110.730 108.800 0.015 0.000 2.570 55 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 55 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 55 G C -3.062 171.799 174.900 -0.066 0.000 1.257 55 G CA -0.879 44.204 45.100 -0.028 0.000 0.846 55 G HN -0.123 nan 8.290 nan 0.000 0.627 56 P HA 0.243 nan 4.420 nan 0.000 0.289 56 P C 0.898 178.160 177.300 -0.063 0.000 1.299 56 P CA -0.198 62.849 63.100 -0.087 0.000 0.766 56 P CB 0.841 32.491 31.700 -0.083 0.000 1.226 57 E N 0.043 120.206 120.200 -0.061 0.000 2.108 57 E HA -0.219 4.131 4.350 -0.000 0.000 0.203 57 E C 0.235 176.813 176.600 -0.036 0.000 1.022 57 E CA 1.732 58.104 56.400 -0.047 0.000 0.823 57 E CB -0.418 29.255 29.700 -0.045 0.000 0.744 57 E HN 0.543 nan 8.360 nan 0.000 0.456 61 A N -0.437 122.421 122.820 0.064 0.000 1.940 61 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 61 A C 2.007 179.647 177.584 0.093 0.000 1.176 61 A CA 2.137 54.233 52.037 0.098 0.000 0.631 61 A CB -0.719 18.341 19.000 0.100 0.000 0.814 61 A HN 0.513 nan 8.150 nan 0.000 0.446 62 L N -0.433 120.828 121.223 0.063 0.000 2.072 62 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 62 L C 2.692 179.587 176.870 0.043 0.000 1.079 62 L CA 2.024 56.896 54.840 0.053 0.000 0.752 62 L CB -0.931 41.149 42.059 0.036 0.000 0.906 62 L HN 0.334 nan 8.230 nan 0.000 0.436 63 A N -1.196 121.639 122.820 0.025 0.000 1.940 63 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 63 A C 2.289 179.867 177.584 -0.011 0.000 1.176 63 A CA 1.972 54.009 52.037 -0.000 0.000 0.631 63 A CB -1.051 17.942 19.000 -0.013 0.000 0.814 63 A HN 0.301 nan 8.150 nan 0.000 0.446 64 V N 1.222 121.151 119.914 0.025 0.000 2.237 64 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 64 V C 2.317 178.488 176.094 0.129 0.000 1.046 64 V CA 2.179 64.506 62.300 0.045 0.000 1.007 64 V CB -0.930 30.982 31.823 0.148 0.000 0.638 64 V HN 0.612 nan 8.190 nan 0.000 0.445 65 N N 0.340 119.159 118.700 0.199 0.000 2.094 65 N HA -0.204 4.535 4.740 -0.000 0.000 0.191 65 N C 1.915 177.510 175.510 0.141 0.000 1.023 65 N CA 1.526 54.716 53.050 0.233 0.000 0.857 65 N CB -0.408 38.187 38.487 0.181 0.000 1.013 65 N HN 0.503 nan 8.380 nan 0.000 0.426 66 R N 0.690 121.226 120.500 0.061 0.000 2.115 66 R HA 0.075 4.415 4.340 -0.000 0.000 0.230 66 R C 2.257 178.533 176.300 -0.039 0.000 1.111 66 R CA 1.020 57.128 56.100 0.015 0.000 0.976 66 R CB -0.207 30.093 30.300 0.000 0.000 0.870 66 R HN 0.211 nan 8.270 nan 0.000 0.445 67 A N 0.571 123.330 122.820 -0.102 0.000 1.898 67 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 67 A C 1.886 179.291 177.584 -0.299 0.000 1.181 67 A CA 1.037 52.939 52.037 -0.225 0.000 0.620 67 A CB -0.555 18.248 19.000 -0.328 0.000 0.819 67 A HN 0.204 nan 8.150 nan 0.000 0.442 68 F N 0.528 120.327 119.950 -0.252 0.000 2.146 68 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 68 F C 2.136 177.831 175.800 -0.175 0.000 1.096 68 F CA 1.428 59.233 58.000 -0.325 0.000 1.275 68 F CB -0.144 38.472 39.000 -0.639 0.000 1.008 68 F HN 0.191 nan 8.300 nan 0.000 0.480 69 D N -0.122 120.336 120.400 0.097 0.000 2.144 69 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 69 D C 1.291 177.560 176.300 -0.051 0.000 0.984 69 D CA 0.783 54.808 54.000 0.043 0.000 0.834 69 D CB -0.285 40.544 40.800 0.050 0.000 0.955 69 D HN 0.144 nan 8.370 nan 0.000 0.465 73 A N 0.421 123.269 122.820 0.047 0.000 2.440 73 A HA 0.626 4.945 4.320 -0.000 0.000 0.251 73 A C 0.413 178.122 177.584 0.209 0.000 1.089 73 A CA 0.042 52.176 52.037 0.161 0.000 0.779 73 A CB 0.573 19.740 19.000 0.279 0.000 1.022 73 A HN 0.464 nan 8.150 nan 0.000 0.492 74 Q N 1.672 121.564 119.800 0.154 0.000 2.274 74 Q HA 0.556 4.896 4.340 -0.000 0.000 0.256 74 Q C -1.314 174.750 176.000 0.107 0.000 0.927 74 Q CA -0.354 55.490 55.803 0.068 0.000 0.939 74 Q CB 0.524 29.277 28.738 0.025 0.000 1.201 74 Q HN 0.783 nan 8.270 nan 0.000 0.426 75 Y N 1.425 121.595 120.300 -0.216 0.000 2.597 75 Y HA 0.776 5.325 4.550 -0.000 0.000 0.340 75 Y C -1.389 174.286 175.900 -0.374 0.000 1.097 75 Y CA -1.172 56.760 58.100 -0.280 0.000 1.037 75 Y CB 1.682 39.878 38.460 -0.440 0.000 1.305 75 Y HN 0.638 nan 8.280 nan 0.000 0.463 76 N N 0.278 118.762 118.700 -0.360 0.000 3.179 76 N HA 0.809 5.549 4.740 -0.000 0.000 0.250 76 N C -2.021 173.504 175.510 0.025 0.000 1.507 76 N CA -0.039 52.794 53.050 -0.362 0.000 0.883 76 N CB 2.234 40.475 38.487 -0.410 0.000 1.435 76 N HN 1.206 nan 8.380 nan 0.000 0.532 77 A N 0.104 123.028 122.820 0.173 0.000 2.556 77 A HA 0.781 5.101 4.320 -0.000 0.000 0.294 77 A C -2.007 175.805 177.584 0.379 0.000 1.091 77 A CA -0.509 51.743 52.037 0.359 0.000 0.704 77 A CB 1.017 20.271 19.000 0.422 0.000 1.300 77 A HN 0.508 nan 8.150 nan 0.000 0.406 78 F N 0.613 120.636 119.950 0.122 0.000 2.574 78 F HA 0.694 5.221 4.527 -0.000 0.000 0.313 78 F C -0.758 175.089 175.800 0.079 0.000 1.130 78 F CA 0.054 58.131 58.000 0.128 0.000 0.936 78 F CB 2.293 41.410 39.000 0.194 0.000 1.219 78 F HN 0.501 nan 8.300 nan 0.000 0.445 79 T N 4.381 118.585 114.554 -0.584 0.000 2.841 79 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 79 T C -0.652 173.562 174.700 -0.811 0.000 0.991 79 T CA -0.582 61.226 62.100 -0.486 0.000 0.966 79 T CB 1.508 70.344 68.868 -0.054 0.000 0.962 79 T HN 0.740 nan 8.240 nan 0.000 0.438 80 S N 2.050 117.411 115.700 -0.564 0.000 2.841 80 S HA 0.518 4.987 4.470 -0.000 0.000 0.318 80 S C 0.726 175.253 174.600 -0.122 0.000 1.127 80 S CA -0.809 57.198 58.200 -0.321 0.000 0.883 80 S CB 1.013 64.196 63.200 -0.028 0.000 1.271 80 S HN 0.453 nan 8.310 nan 0.000 0.567 81 E N 0.526 120.697 120.200 -0.050 0.000 2.333 81 E HA -0.013 4.337 4.350 -0.000 0.000 0.198 81 E C 0.951 177.542 176.600 -0.016 0.000 1.007 81 E CA 1.363 57.736 56.400 -0.044 0.000 0.845 81 E CB -0.070 29.603 29.700 -0.044 0.000 0.766 81 E HN 0.709 nan 8.360 nan 0.000 0.507 82 E N -1.631 118.586 120.200 0.028 0.000 2.633 82 E HA 0.367 4.716 4.350 -0.000 0.000 0.222 82 E C -0.412 176.161 176.600 -0.044 0.000 0.899 82 E CA 0.089 56.484 56.400 -0.008 0.000 1.292 82 E CB 1.434 31.161 29.700 0.045 0.000 1.257 82 E HN 0.082 nan 8.360 nan 0.000 0.626 83 A N 1.240 124.087 122.820 0.045 0.000 2.520 83 A HA 0.566 4.886 4.320 -0.000 0.000 0.298 83 A C -0.679 176.948 177.584 0.072 0.000 1.051 83 A CA -0.561 51.516 52.037 0.067 0.000 0.690 83 A CB 1.730 20.841 19.000 0.185 0.000 1.281 83 A HN -0.032 nan 8.150 nan 0.000 0.402 84 T N -0.179 114.398 114.554 0.038 0.000 2.848 84 T HA 0.675 5.025 4.350 -0.000 0.000 0.285 84 T C -1.054 173.586 174.700 -0.099 0.000 0.995 84 T CA -0.478 61.618 62.100 -0.006 0.000 0.970 84 T CB 0.922 69.821 68.868 0.052 0.000 0.976 84 T HN 1.044 nan 8.240 nan 0.000 0.441 85 V N 4.887 124.685 119.914 -0.194 0.000 2.656 85 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 85 V C -1.408 174.471 176.094 -0.358 0.000 1.051 85 V CA -0.990 61.095 62.300 -0.359 0.000 0.893 85 V CB 1.610 33.119 31.823 -0.523 0.000 0.999 85 V HN 0.944 nan 8.190 nan 0.000 0.426 86 Y N 5.067 125.371 120.300 0.005 0.000 2.326 86 Y HA 0.734 5.284 4.550 -0.000 0.000 0.331 86 Y C -0.270 175.480 175.900 -0.249 0.000 0.962 86 Y CA -0.732 57.392 58.100 0.040 0.000 1.167 86 Y CB 1.516 39.915 38.460 -0.102 0.000 1.148 86 Y HN 0.743 nan 8.280 nan 0.000 0.463 87 Y N 0.173 120.392 120.300 -0.135 0.000 2.638 87 Y HA 1.007 5.556 4.550 -0.000 0.000 0.335 87 Y C -0.410 175.758 175.900 0.446 0.000 1.155 87 Y CA -1.511 56.598 58.100 0.015 0.000 1.046 87 Y CB 1.885 40.373 38.460 0.048 0.000 1.303 87 Y HN 0.723 nan 8.280 nan 0.000 0.460 88 G N 0.083 109.153 108.800 0.449 0.000 2.495 88 G HA2 0.704 4.664 3.960 -0.000 0.000 0.294 88 G HA3 0.704 4.664 3.960 -0.000 0.000 0.294 88 G C -2.276 172.830 174.900 0.344 0.000 1.397 88 G CA -0.502 44.825 45.100 0.379 0.000 0.790 88 G HN 1.385 nan 8.290 nan 0.000 0.486 89 A N -0.972 122.003 122.820 0.260 0.000 2.486 89 A HA 1.000 5.320 4.320 -0.000 0.000 0.300 89 A C -0.483 177.212 177.584 0.186 0.000 1.048 89 A CA -0.109 52.054 52.037 0.211 0.000 0.696 89 A CB 1.720 20.821 19.000 0.168 0.000 1.278 89 A HN 2.323 nan 8.150 nan 0.000 0.405 90 V N -0.405 119.617 119.914 0.180 0.000 3.188 90 V HA 0.698 4.817 4.120 -0.000 0.000 0.305 90 V C -0.316 175.899 176.094 0.203 0.000 1.232 90 V CA -1.149 61.265 62.300 0.190 0.000 1.043 90 V CB 1.065 33.023 31.823 0.226 0.000 1.068 90 V HN 0.910 nan 8.190 nan 0.000 0.439 91 L N 1.761 123.147 121.223 0.271 0.000 2.499 91 L HA 0.188 4.528 4.340 -0.000 0.000 0.281 91 L C -1.359 175.599 176.870 0.147 0.000 1.234 91 L CA -0.820 54.150 54.840 0.217 0.000 0.839 91 L CB 0.537 42.757 42.059 0.268 0.000 1.104 91 L HN 0.538 nan 8.230 nan 0.000 0.500 92 P HA -0.181 nan 4.420 nan 0.000 0.219 92 P C 1.066 178.321 177.300 -0.075 0.000 1.146 92 P CA 0.936 64.032 63.100 -0.007 0.000 0.808 92 P CB 0.005 31.705 31.700 -0.000 0.000 0.779 93 E N -0.461 119.644 120.200 -0.158 0.000 2.409 93 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 93 E C 0.881 177.244 176.600 -0.396 0.000 1.024 93 E CA 1.056 57.273 56.400 -0.305 0.000 0.861 93 E CB -1.057 28.365 29.700 -0.463 0.000 0.788 93 E HN 0.349 nan 8.360 nan 0.000 0.521 94 F N 0.545 120.497 119.950 0.004 0.000 2.664 94 F HA 0.415 4.942 4.527 0.001 0.000 0.303 94 F C 2.263 178.032 175.800 -0.052 0.000 1.092 94 F CA -0.037 57.964 58.000 0.001 0.000 1.305 94 F CB 0.360 39.370 39.000 0.016 0.000 1.054 94 F HN 0.036 nan 8.300 nan 0.000 0.565 95 A N 0.007 122.783 122.820 -0.074 0.000 1.908 95 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 95 A C 1.633 179.049 177.584 -0.281 0.000 1.181 95 A CA 1.845 53.721 52.037 -0.268 0.000 0.627 95 A CB -1.007 17.638 19.000 -0.591 0.000 0.818 95 A HN 0.463 nan 8.150 nan 0.000 0.445 96 Y N 0.191 120.549 120.300 0.096 0.000 2.395 96 Y HA -0.055 4.495 4.550 -0.001 0.000 0.293 96 Y C 2.084 178.033 175.900 0.081 0.000 1.123 96 Y CA 0.642 58.785 58.100 0.072 0.000 1.227 96 Y CB -0.391 38.087 38.460 0.029 0.000 1.012 96 Y HN 0.259 nan 8.280 nan 0.000 0.552 97 D N 0.078 120.592 120.400 0.190 0.000 2.097 97 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 97 D C 2.186 178.514 176.300 0.047 0.000 0.984 97 D CA 0.923 54.997 54.000 0.123 0.000 0.826 97 D CB -0.453 40.451 40.800 0.172 0.000 0.973 97 D HN 0.235 nan 8.370 nan 0.000 0.460 98 L N 0.727 121.996 121.223 0.077 0.000 2.017 98 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 98 L C 2.223 179.220 176.870 0.212 0.000 1.073 98 L CA 1.268 56.152 54.840 0.074 0.000 0.745 98 L CB -0.786 41.385 42.059 0.186 0.000 0.894 98 L HN 0.008 nan 8.230 nan 0.000 0.432 99 L N -0.236 121.141 121.223 0.258 0.000 2.013 99 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 99 L C 2.274 179.354 176.870 0.350 0.000 1.073 99 L CA 2.346 57.400 54.840 0.356 0.000 0.753 99 L CB -1.374 40.831 42.059 0.243 0.000 0.890 99 L HN 0.341 nan 8.230 nan 0.000 0.432 100 G N -0.974 107.943 108.800 0.194 0.000 2.394 100 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.215 100 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.215 100 G C 1.536 176.460 174.900 0.039 0.000 1.165 100 G CA 0.740 45.910 45.100 0.115 0.000 0.784 100 G HN 0.399 nan 8.290 nan 0.000 0.535 101 L N 0.080 121.263 121.223 -0.067 0.000 1.970 101 L HA 0.049 4.389 4.340 -0.000 0.000 0.212 101 L C 2.613 179.378 176.870 -0.175 0.000 1.071 101 L CA 1.761 56.446 54.840 -0.257 0.000 0.751 101 L CB -0.858 40.843 42.059 -0.597 0.000 0.889 101 L HN 0.263 nan 8.230 nan 0.000 0.432 102 F N -0.371 119.572 119.950 -0.012 0.000 2.095 102 F HA -0.295 4.231 4.527 -0.000 0.000 0.298 102 F C 2.509 178.189 175.800 -0.199 0.000 1.104 102 F CA 1.161 59.156 58.000 -0.009 0.000 1.232 102 F CB -0.677 38.477 39.000 0.258 0.000 0.987 102 F HN 0.277 nan 8.300 nan 0.000 0.475 103 A N 0.223 123.091 122.820 0.079 0.000 1.892 103 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 103 A C 2.111 179.768 177.584 0.121 0.000 1.188 103 A CA 2.124 54.210 52.037 0.082 0.000 0.631 103 A CB -0.704 18.402 19.000 0.177 0.000 0.822 103 A HN 0.364 nan 8.150 nan 0.000 0.447 104 K N -0.444 119.980 120.400 0.041 0.000 2.057 104 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 104 K C 1.792 178.350 176.600 -0.070 0.000 1.049 104 K CA 1.442 57.725 56.287 -0.006 0.000 0.931 104 K CB -0.398 32.068 32.500 -0.056 0.000 0.714 104 K HN 0.502 nan 8.250 nan 0.000 0.440 105 L N 0.832 121.986 121.223 -0.115 0.000 2.275 105 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 105 L C 1.876 178.590 176.870 -0.260 0.000 1.119 105 L CA 0.723 55.450 54.840 -0.188 0.000 0.790 105 L CB -0.350 41.583 42.059 -0.210 0.000 0.919 105 L HN 0.181 nan 8.230 nan 0.000 0.443 106 L N -0.324 120.753 121.223 -0.244 0.000 2.650 106 L HA -0.016 4.324 4.340 -0.000 0.000 0.235 106 L C 0.861 177.545 176.870 -0.311 0.000 1.149 106 L CA 0.404 55.054 54.840 -0.316 0.000 0.887 106 L CB -0.171 41.668 42.059 -0.367 0.000 1.021 106 L HN 0.130 nan 8.230 nan 0.000 0.441 107 R N 0.742 121.097 120.500 -0.242 0.000 3.057 107 R HA 0.241 4.580 4.340 -0.000 0.000 0.291 107 R C -2.348 173.801 176.300 -0.252 0.000 1.394 107 R CA -1.646 54.302 56.100 -0.253 0.000 1.630 107 R CB 0.472 30.697 30.300 -0.126 0.000 1.268 107 R HN -0.048 nan 8.270 nan 0.000 0.621 108 P HA -0.005 nan 4.420 nan 0.000 0.269 108 P C 0.213 177.382 177.300 -0.218 0.000 1.209 108 P CA 0.178 63.123 63.100 -0.257 0.000 0.776 108 P CB 1.381 32.904 31.700 -0.295 0.000 0.876 109 A N 3.678 126.413 122.820 -0.143 0.000 1.970 109 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 109 A C 1.240 178.755 177.584 -0.115 0.000 1.170 109 A CA 0.335 52.303 52.037 -0.114 0.000 0.645 109 A CB -1.093 17.864 19.000 -0.072 0.000 0.816 109 A HN 0.645 nan 8.150 nan 0.000 0.447 110 L N -0.426 120.736 121.223 -0.101 0.000 3.795 110 L HA -0.232 4.108 4.340 -0.000 0.000 0.489 110 L C -0.026 176.807 176.870 -0.061 0.000 1.259 110 L CA -0.180 54.613 54.840 -0.079 0.000 0.765 110 L CB -1.725 40.238 42.059 -0.160 0.000 1.519 110 L HN 0.433 nan 8.230 nan 0.000 0.842 111 R N 0.625 121.117 120.500 -0.013 0.000 2.623 111 R HA 0.008 4.348 4.340 -0.000 0.000 0.271 111 R C 1.389 177.719 176.300 0.050 0.000 1.043 111 R CA -0.114 55.987 56.100 0.002 0.000 1.083 111 R CB 0.592 30.903 30.300 0.018 0.000 0.974 111 R HN 0.218 nan 8.270 nan 0.000 0.436 112 E N 2.437 122.651 120.200 0.024 0.000 2.085 112 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 112 E C 1.451 178.142 176.600 0.152 0.000 0.994 112 E CA 1.789 58.230 56.400 0.068 0.000 0.801 112 E CB 0.074 29.785 29.700 0.018 0.000 0.743 112 E HN 0.646 nan 8.360 nan 0.000 0.453 113 E N -0.243 120.016 120.200 0.098 0.000 2.051 113 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 113 E C 1.404 178.072 176.600 0.114 0.000 0.991 113 E CA 1.515 57.972 56.400 0.094 0.000 0.799 113 E CB -0.111 29.625 29.700 0.059 0.000 0.748 113 E HN 0.285 nan 8.360 nan 0.000 0.449 114 D N -0.023 120.448 120.400 0.118 0.000 2.123 114 D HA -0.168 4.471 4.640 -0.000 0.000 0.196 114 D C 1.664 178.075 176.300 0.186 0.000 0.992 114 D CA 0.795 54.873 54.000 0.130 0.000 0.833 114 D CB -0.504 40.365 40.800 0.115 0.000 0.954 114 D HN 0.211 nan 8.370 nan 0.000 0.455 115 F N 1.513 121.504 119.950 0.069 0.000 2.069 115 F HA -0.237 4.289 4.527 -0.000 0.000 0.298 115 F C 2.348 178.261 175.800 0.189 0.000 1.113 115 F CA 1.392 59.455 58.000 0.104 0.000 1.214 115 F CB 0.072 39.071 39.000 -0.000 0.000 0.978 115 F HN -0.159 nan 8.300 nan 0.000 0.474 116 Q N -0.215 119.721 119.800 0.227 0.000 2.079 116 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 116 Q C 2.268 178.284 176.000 0.027 0.000 0.974 116 Q CA 2.057 57.926 55.803 0.110 0.000 0.840 116 Q CB -1.199 27.624 28.738 0.142 0.000 0.898 116 Q HN 0.393 nan 8.270 nan 0.000 0.430 117 T N 1.326 115.910 114.554 0.051 0.000 2.684 117 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 117 T C 1.778 176.477 174.700 -0.003 0.000 1.036 117 T CA 1.725 63.841 62.100 0.027 0.000 1.148 117 T CB -0.109 68.788 68.868 0.048 0.000 0.863 117 T HN 0.226 nan 8.240 nan 0.000 0.436 118 E N 1.028 121.242 120.200 0.023 0.000 2.152 118 E HA -0.019 4.330 4.350 -0.000 0.000 0.192 118 E C 2.105 178.536 176.600 -0.282 0.000 0.983 118 E CA 0.965 57.365 56.400 -0.001 0.000 0.818 118 E CB -0.145 29.677 29.700 0.203 0.000 0.758 118 E HN 0.397 nan 8.360 nan 0.000 0.467 119 K N 0.009 120.211 120.400 -0.329 0.000 2.074 119 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 119 K C 1.964 178.351 176.600 -0.354 0.000 1.048 119 K CA 1.531 57.494 56.287 -0.540 0.000 0.926 119 K CB -0.203 32.120 32.500 -0.294 0.000 0.713 119 K HN 0.194 nan 8.250 nan 0.000 0.444 120 L N 0.299 121.408 121.223 -0.190 0.000 2.083 120 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 120 L C 2.341 179.138 176.870 -0.123 0.000 1.083 120 L CA 0.775 55.542 54.840 -0.121 0.000 0.752 120 L CB -0.377 41.646 42.059 -0.061 0.000 0.899 120 L HN 0.048 nan 8.230 nan 0.000 0.433 121 V N 0.008 119.847 119.914 -0.125 0.000 2.343 121 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 121 V C 2.440 178.448 176.094 -0.143 0.000 1.051 121 V CA 1.456 63.704 62.300 -0.086 0.000 1.036 121 V CB -0.410 31.404 31.823 -0.014 0.000 0.654 121 V HN 0.289 nan 8.190 nan 0.000 0.451 122 I N -0.280 120.103 120.570 -0.313 0.000 2.226 122 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 122 I C 2.409 178.384 176.117 -0.238 0.000 1.100 122 I CA 1.720 62.796 61.300 -0.374 0.000 1.374 122 I CB -1.083 36.478 38.000 -0.732 0.000 1.057 122 I HN 0.290 nan 8.210 nan 0.000 0.413 123 L N 0.363 121.454 121.223 -0.220 0.000 2.042 123 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 123 L C 2.600 179.428 176.870 -0.070 0.000 1.076 123 L CA 1.430 56.193 54.840 -0.128 0.000 0.749 123 L CB -0.604 41.391 42.059 -0.108 0.000 0.893 123 L HN 0.194 nan 8.230 nan 0.000 0.432 124 E N 0.517 120.681 120.200 -0.061 0.000 2.153 124 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 124 E C 2.011 178.611 176.600 0.001 0.000 0.988 124 E CA 1.352 57.739 56.400 -0.021 0.000 0.811 124 E CB -0.010 29.680 29.700 -0.017 0.000 0.746 124 E HN 0.404 nan 8.360 nan 0.000 0.466 125 E N -0.416 119.776 120.200 -0.013 0.000 2.150 125 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 125 E C 2.024 178.646 176.600 0.038 0.000 0.985 125 E CA 1.022 57.435 56.400 0.022 0.000 0.814 125 E CB -0.091 29.612 29.700 0.005 0.000 0.752 125 E HN 0.365 nan 8.360 nan 0.000 0.466 126 I N 0.775 121.338 120.570 -0.013 0.000 2.179 126 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 126 I C 2.561 178.729 176.117 0.086 0.000 1.088 126 I CA 1.050 62.354 61.300 0.007 0.000 1.357 126 I CB -0.336 37.641 38.000 -0.038 0.000 1.051 126 I HN 0.152 nan 8.210 nan 0.000 0.409 127 A N 0.918 123.773 122.820 0.059 0.000 1.883 127 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 127 A C 2.386 180.022 177.584 0.086 0.000 1.186 127 A CA 1.667 53.746 52.037 0.071 0.000 0.624 127 A CB -0.623 18.401 19.000 0.041 0.000 0.822 127 A HN 0.320 nan 8.150 nan 0.000 0.444 128 R N -2.434 118.117 120.500 0.085 0.000 2.096 128 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 128 R C 2.125 178.498 176.300 0.121 0.000 1.127 128 R CA 1.558 57.707 56.100 0.081 0.000 0.968 128 R CB -0.496 29.848 30.300 0.075 0.000 0.861 128 R HN 0.693 nan 8.270 nan 0.000 0.440 129 Y N 1.772 122.102 120.300 0.051 0.000 2.207 129 Y HA -0.250 4.299 4.550 -0.000 0.000 0.287 129 Y C 2.064 178.010 175.900 0.076 0.000 1.156 129 Y CA 1.658 59.819 58.100 0.101 0.000 1.182 129 Y CB 0.148 38.632 38.460 0.040 0.000 0.979 129 Y HN 0.088 nan 8.280 nan 0.000 0.521 130 Q N -0.570 119.343 119.800 0.188 0.000 2.436 130 Q HA -0.136 4.203 4.340 -0.000 0.000 0.209 130 Q C 0.936 177.014 176.000 0.129 0.000 0.965 130 Q CA 0.846 56.744 55.803 0.159 0.000 0.910 130 Q CB 0.102 28.969 28.738 0.215 0.000 0.980 130 Q HN 0.478 nan 8.270 nan 0.000 0.491 131 D N 0.139 120.558 120.400 0.032 0.000 2.347 131 D HA -0.030 4.610 4.640 -0.000 0.000 0.215 131 D C 0.141 176.364 176.300 -0.128 0.000 0.976 131 D CA 0.561 54.538 54.000 -0.039 0.000 0.884 131 D CB 0.317 41.090 40.800 -0.045 0.000 0.915 131 D HN -0.046 nan 8.370 nan 0.000 0.526 132 R N 1.540 121.912 120.500 -0.214 0.000 2.287 132 R HA 0.161 4.501 4.340 -0.000 0.000 0.327 132 R C -1.702 174.340 176.300 -0.429 0.000 1.109 132 R CA -1.493 54.345 56.100 -0.436 0.000 1.013 132 R CB 0.815 30.646 30.300 -0.782 0.000 1.126 132 R HN 0.082 nan 8.270 nan 0.000 0.503 133 P HA -0.075 nan 4.420 nan 0.000 0.223 133 P C 1.220 178.112 177.300 -0.679 0.000 1.151 133 P CA 0.795 63.635 63.100 -0.433 0.000 0.787 133 P CB 0.369 31.841 31.700 -0.380 0.000 0.788 134 G N -0.396 107.893 108.800 -0.851 0.000 2.402 134 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 134 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 134 G C 0.837 175.750 174.900 0.022 0.000 1.162 134 G CA 0.009 44.986 45.100 -0.205 0.000 0.777 134 G HN 0.224 nan 8.290 nan 0.000 0.539 138 Y N 1.332 121.587 120.300 -0.074 0.000 2.163 138 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 138 Y C 2.347 178.172 175.900 -0.126 0.000 1.136 138 Y CA 2.418 60.474 58.100 -0.073 0.000 1.147 138 Y CB 0.111 38.532 38.460 -0.065 0.000 0.987 138 Y HN 0.520 nan 8.280 nan 0.000 0.509 139 E N -0.299 119.773 120.200 -0.214 0.000 2.058 139 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 139 E C 1.843 178.329 176.600 -0.190 0.000 0.997 139 E CA 1.714 57.966 56.400 -0.247 0.000 0.801 139 E CB -0.405 29.183 29.700 -0.187 0.000 0.746 139 E HN 0.568 nan 8.360 nan 0.000 0.450 140 W N 0.306 121.424 121.300 -0.304 0.000 2.388 140 W HA 0.035 4.695 4.660 -0.000 0.000 0.294 140 W C 2.444 178.512 176.519 -0.751 0.000 1.212 140 W CA 0.771 57.815 57.345 -0.502 0.000 1.271 140 W CB -1.213 27.892 29.460 -0.592 0.000 1.126 140 W HN 0.199 nan 8.180 nan 0.000 0.535 141 A N 0.888 123.362 122.820 -0.576 0.000 1.865 141 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 141 A C 2.179 179.658 177.584 -0.176 0.000 1.191 141 A CA 2.061 53.861 52.037 -0.395 0.000 0.623 141 A CB -0.895 17.999 19.000 -0.177 0.000 0.826 141 A HN 0.240 nan 8.150 nan 0.000 0.444 142 R N -0.664 119.706 120.500 -0.217 0.000 2.080 142 R HA -0.139 4.200 4.340 -0.000 0.000 0.236 142 R C 2.565 178.975 176.300 0.183 0.000 1.137 142 R CA 1.336 57.434 56.100 -0.003 0.000 0.943 142 R CB -0.640 29.583 30.300 -0.129 0.000 0.846 142 R HN 0.526 nan 8.270 nan 0.000 0.431 143 A N 1.358 124.215 122.820 0.062 0.000 1.884 143 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 143 A C 2.171 179.805 177.584 0.084 0.000 1.197 143 A CA 2.151 54.237 52.037 0.082 0.000 0.637 143 A CB -0.542 18.494 19.000 0.061 0.000 0.827 143 A HN 0.212 nan 8.150 nan 0.000 0.450 144 R N -1.362 119.166 120.500 0.046 0.000 2.075 144 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 144 R C 1.873 178.188 176.300 0.025 0.000 1.126 144 R CA 1.774 57.906 56.100 0.053 0.000 0.963 144 R CB -0.855 29.512 30.300 0.112 0.000 0.858 144 R HN 0.520 nan 8.270 nan 0.000 0.435 145 F N -0.285 119.583 119.950 -0.138 0.000 2.069 145 F HA -0.171 4.355 4.527 -0.000 0.000 0.298 145 F C 1.433 177.033 175.800 -0.333 0.000 1.113 145 F CA 1.692 59.511 58.000 -0.301 0.000 1.214 145 F CB -0.255 38.469 39.000 -0.459 0.000 0.978 145 F HN 0.029 nan 8.300 nan 0.000 0.474 146 F N 0.234 120.129 119.950 -0.091 0.000 2.407 146 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 146 F C 1.305 177.029 175.800 -0.127 0.000 1.097 146 F CA 1.186 59.099 58.000 -0.145 0.000 1.422 146 F CB -0.773 38.254 39.000 0.045 0.000 1.067 146 F HN 0.052 nan 8.300 nan 0.000 0.539 147 Q N 0.004 119.829 119.800 0.042 0.000 2.460 147 Q HA -0.243 4.097 4.340 -0.000 0.000 0.311 147 Q C 1.181 177.208 176.000 0.045 0.000 1.396 147 Q CA 0.352 56.152 55.803 -0.005 0.000 0.838 147 Q CB -1.511 27.167 28.738 -0.101 0.000 1.140 147 Q HN 0.748 nan 8.270 nan 0.000 0.415 148 G N -0.537 108.308 108.800 0.076 0.000 2.284 148 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.230 148 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.230 148 G C -0.033 174.907 174.900 0.067 0.000 1.021 148 G CA 0.198 45.330 45.100 0.052 0.000 0.619 148 G HN 0.665 nan 8.290 nan 0.000 0.510 149 H N 3.714 122.809 119.070 0.041 0.000 3.094 149 H HA 0.133 4.689 4.556 -0.000 0.000 0.320 149 H C -0.599 174.688 175.328 -0.069 0.000 1.000 149 H CA 0.046 56.109 56.048 0.025 0.000 1.413 149 H CB 1.409 31.248 29.762 0.129 0.000 1.405 149 H HN 0.189 nan 8.280 nan 0.000 0.586 150 P HA -0.194 nan 4.420 nan 0.000 0.220 150 P C 1.680 178.884 177.300 -0.159 0.000 1.144 150 P CA 0.399 63.376 63.100 -0.205 0.000 0.800 150 P CB 0.288 31.822 31.700 -0.276 0.000 0.772 151 L N -0.134 121.036 121.223 -0.088 0.000 2.456 151 L HA 0.049 4.389 4.340 -0.000 0.000 0.224 151 L C 2.149 178.588 176.870 -0.718 0.000 1.148 151 L CA 1.417 56.005 54.840 -0.420 0.000 0.825 151 L CB -1.731 39.950 42.059 -0.629 0.000 0.937 151 L HN -0.021 nan 8.230 nan 0.000 0.450 152 G N -1.437 107.075 108.800 -0.481 0.000 3.141 152 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.218 152 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.218 152 G C 0.582 175.423 174.900 -0.099 0.000 1.170 152 G CA -0.413 44.581 45.100 -0.177 0.000 0.769 152 G HN 0.425 nan 8.290 nan 0.000 0.546 153 N N 1.012 119.635 118.700 -0.129 0.000 2.518 153 N HA 0.278 5.018 4.740 -0.000 0.000 0.266 153 N C 0.409 175.851 175.510 -0.113 0.000 1.196 153 N CA -0.083 52.908 53.050 -0.098 0.000 0.947 153 N CB 0.806 39.235 38.487 -0.098 0.000 1.098 153 N HN 0.238 nan 8.380 nan 0.000 0.450 154 S N 0.617 116.253 115.700 -0.107 0.000 2.584 154 S HA 0.165 4.635 4.470 -0.000 0.000 0.273 154 S C 1.122 175.617 174.600 -0.175 0.000 1.311 154 S CA -0.928 57.184 58.200 -0.147 0.000 1.034 154 S CB 1.478 64.594 63.200 -0.141 0.000 0.939 154 S HN 0.279 nan 8.310 nan 0.000 0.513 155 V N 3.044 122.815 119.914 -0.239 0.000 2.379 155 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 155 V C 2.282 178.203 176.094 -0.288 0.000 1.044 155 V CA 1.496 63.636 62.300 -0.266 0.000 1.036 155 V CB -0.908 30.709 31.823 -0.343 0.000 0.664 155 V HN 0.872 nan 8.190 nan 0.000 0.453 156 L N -0.176 120.820 121.223 -0.378 0.000 2.217 156 L HA 0.216 4.556 4.340 -0.000 0.000 0.211 156 L C 1.372 178.134 176.870 -0.179 0.000 1.107 156 L CA 0.905 55.551 54.840 -0.325 0.000 0.783 156 L CB -0.972 40.826 42.059 -0.434 0.000 0.919 156 L HN 0.590 nan 8.230 nan 0.000 0.442 157 G N 0.278 108.984 108.800 -0.158 0.000 2.782 157 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.228 157 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.228 157 G C -0.016 174.834 174.900 -0.083 0.000 1.372 157 G CA -0.250 44.791 45.100 -0.099 0.000 0.862 157 G HN 0.322 nan 8.290 nan 0.000 0.547 158 T N -2.582 111.944 114.554 -0.046 0.000 2.927 158 T HA 0.628 4.978 4.350 -0.000 0.000 0.281 158 T C 1.516 176.201 174.700 -0.024 0.000 0.998 158 T CA 0.491 62.577 62.100 -0.023 0.000 1.019 158 T CB 1.908 70.776 68.868 -0.001 0.000 1.061 158 T HN 1.001 nan 8.240 nan 0.000 0.518 159 R N 0.278 120.772 120.500 -0.010 0.000 2.117 159 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 159 R C 2.154 178.451 176.300 -0.005 0.000 1.143 159 R CA 2.029 58.122 56.100 -0.012 0.000 0.968 159 R CB -0.260 30.044 30.300 0.007 0.000 0.863 159 R HN 0.920 nan 8.270 nan 0.000 0.444 160 E N -0.213 119.990 120.200 0.005 0.000 2.072 160 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 160 E C 1.893 178.502 176.600 0.014 0.000 0.982 160 E CA 1.434 57.841 56.400 0.012 0.000 0.803 160 E CB 0.052 29.760 29.700 0.014 0.000 0.755 160 E HN 0.487 nan 8.360 nan 0.000 0.453 161 S N 0.631 116.336 115.700 0.008 0.000 2.368 161 S HA -0.112 4.357 4.470 -0.000 0.000 0.224 161 S C 2.040 176.661 174.600 0.035 0.000 1.029 161 S CA 0.738 58.946 58.200 0.014 0.000 0.988 161 S CB -0.272 62.927 63.200 -0.002 0.000 0.838 161 S HN 0.195 nan 8.310 nan 0.000 0.462 162 I N 2.584 123.164 120.570 0.017 0.000 2.252 162 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 162 I C 2.591 178.736 176.117 0.046 0.000 1.102 162 I CA 1.414 62.731 61.300 0.027 0.000 1.385 162 I CB -2.145 35.802 38.000 -0.089 0.000 1.064 162 I HN 0.357 nan 8.210 nan 0.000 0.414 163 T N 1.517 116.083 114.554 0.020 0.000 2.720 163 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 163 T C 1.943 176.687 174.700 0.073 0.000 1.037 163 T CA 1.656 63.776 62.100 0.033 0.000 1.144 163 T CB -0.250 68.629 68.868 0.019 0.000 0.864 163 T HN 0.458 nan 8.240 nan 0.000 0.444 164 A N 0.444 123.306 122.820 0.069 0.000 2.067 164 A HA 0.283 4.603 4.320 -0.000 0.000 0.217 164 A C 1.007 178.657 177.584 0.109 0.000 1.156 164 A CA -0.004 52.078 52.037 0.075 0.000 0.683 164 A CB -0.439 18.590 19.000 0.048 0.000 0.808 164 A HN 0.404 nan 8.150 nan 0.000 0.455 165 L N 2.189 123.504 121.223 0.154 0.000 2.499 165 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 165 L C 0.772 177.824 176.870 0.304 0.000 1.195 165 L CA 0.802 55.765 54.840 0.205 0.000 0.882 165 L CB 0.371 42.585 42.059 0.258 0.000 1.133 165 L HN 0.400 nan 8.230 nan 0.000 0.483 166 T N 1.643 116.273 114.554 0.126 0.000 2.944 166 T HA 0.407 4.756 4.350 -0.000 0.000 0.284 166 T C 1.131 175.586 174.700 -0.408 0.000 1.010 166 T CA -0.341 61.714 62.100 -0.075 0.000 1.025 166 T CB 1.059 69.865 68.868 -0.103 0.000 1.079 166 T HN 0.738 nan 8.240 nan 0.000 0.516 167 R N 0.521 120.415 120.500 -1.010 0.000 2.189 167 R HA -0.032 4.307 4.340 -0.000 0.000 0.223 167 R C 1.305 177.340 176.300 -0.442 0.000 1.092 167 R CA 1.125 56.608 56.100 -1.029 0.000 0.989 167 R CB -0.473 29.123 30.300 -1.173 0.000 0.876 167 R HN 0.627 nan 8.270 nan 0.000 0.457 168 E N 1.418 121.434 120.200 -0.308 0.000 2.047 168 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 168 E C 1.238 177.768 176.600 -0.117 0.000 0.987 168 E CA 1.321 57.615 56.400 -0.176 0.000 0.799 168 E CB -0.417 29.205 29.700 -0.130 0.000 0.752 168 E HN 0.522 nan 8.360 nan 0.000 0.449 172 A N -0.512 122.310 122.820 0.003 0.000 1.892 172 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 172 A C 1.981 179.593 177.584 0.046 0.000 1.188 172 A CA 2.226 54.273 52.037 0.017 0.000 0.631 172 A CB -0.992 18.015 19.000 0.013 0.000 0.822 172 A HN 1.297 nan 8.150 nan 0.000 0.447 173 Y N -0.334 119.949 120.300 -0.028 0.000 2.181 173 Y HA -0.258 4.291 4.550 -0.000 0.000 0.288 173 Y C 2.507 178.400 175.900 -0.010 0.000 1.146 173 Y CA 2.291 60.383 58.100 -0.014 0.000 1.164 173 Y CB -0.475 37.981 38.460 -0.007 0.000 0.982 173 Y HN 0.618 nan 8.280 nan 0.000 0.515 174 H N 0.468 119.517 119.070 -0.035 0.000 2.319 174 H HA -0.215 4.341 4.556 -0.000 0.000 0.299 174 H C 2.350 177.572 175.328 -0.177 0.000 1.092 174 H CA 1.996 57.908 56.048 -0.225 0.000 1.302 174 H CB -0.126 29.428 29.762 -0.347 0.000 1.373 174 H HN 0.312 nan 8.280 nan 0.000 0.497 175 R N 1.208 121.629 120.500 -0.131 0.000 2.083 175 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 175 R C 2.765 178.954 176.300 -0.186 0.000 1.137 175 R CA 2.227 58.243 56.100 -0.140 0.000 0.951 175 R CB -0.359 29.919 30.300 -0.038 0.000 0.851 175 R HN 0.537 nan 8.270 nan 0.000 0.434 176 R N -1.064 119.324 120.500 -0.186 0.000 2.299 176 R HA 0.137 4.477 4.340 -0.000 0.000 0.197 176 R C 1.495 177.658 176.300 -0.229 0.000 0.971 176 R CA 0.594 56.587 56.100 -0.179 0.000 1.030 176 R CB 0.123 30.334 30.300 -0.148 0.000 0.932 176 R HN 0.072 nan 8.270 nan 0.000 0.477 177 R N -0.458 119.863 120.500 -0.299 0.000 2.194 177 R HA 0.109 4.449 4.340 -0.000 0.000 0.194 177 R C -0.104 176.098 176.300 -0.163 0.000 0.985 177 R CA 0.369 56.304 56.100 -0.275 0.000 1.104 177 R CB 0.135 30.137 30.300 -0.496 0.000 1.092 177 R HN 0.156 nan 8.270 nan 0.000 0.555 178 Y N 2.054 122.077 120.300 -0.462 0.000 2.667 178 Y HA 0.309 4.858 4.550 -0.000 0.000 0.340 178 Y C 0.084 175.763 175.900 -0.369 0.000 1.303 178 Y CA -0.030 57.796 58.100 -0.456 0.000 1.769 178 Y CB -0.370 37.623 38.460 -0.779 0.000 1.804 178 Y HN -0.178 nan 8.280 nan 0.000 0.451 179 L N 2.921 124.076 121.223 -0.114 0.000 2.346 179 L HA 0.407 4.747 4.340 -0.000 0.000 0.274 179 L C -1.490 175.425 176.870 0.076 0.000 1.007 179 L CA -2.185 52.641 54.840 -0.024 0.000 0.818 179 L CB 2.129 44.169 42.059 -0.032 0.000 1.284 179 L HN 0.105 nan 8.230 nan 0.000 0.424 180 P HA -0.198 nan 4.420 nan 0.000 0.216 180 P C 0.959 178.346 177.300 0.145 0.000 1.157 180 P CA 1.497 64.747 63.100 0.250 0.000 0.880 180 P CB 0.200 32.046 31.700 0.244 0.000 0.791 181 K N -1.688 118.768 120.400 0.094 0.000 2.360 181 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 181 K C 1.024 177.651 176.600 0.045 0.000 1.046 181 K CA 0.466 56.792 56.287 0.064 0.000 0.945 181 K CB -0.302 32.225 32.500 0.044 0.000 0.750 181 K HN 0.170 nan 8.250 nan 0.000 0.464 185 L N 4.731 125.968 121.223 0.023 0.000 2.264 185 L HA 0.975 5.315 4.340 -0.000 0.000 0.289 185 L C 0.130 176.944 176.870 -0.094 0.000 1.044 185 L CA 0.323 55.096 54.840 -0.111 0.000 0.807 185 L CB 1.108 42.998 42.059 -0.282 0.000 1.192 185 L HN 0.953 nan 8.230 nan 0.000 0.425 186 A N 4.314 127.125 122.820 -0.015 0.000 2.401 186 A HA 1.009 5.328 4.320 -0.000 0.000 0.310 186 A C -1.037 176.593 177.584 0.077 0.000 1.075 186 A CA -0.037 51.988 52.037 -0.020 0.000 0.746 186 A CB 1.588 20.499 19.000 -0.148 0.000 1.277 186 A HN 1.266 nan 8.150 nan 0.000 0.425 187 A N 0.366 123.227 122.820 0.068 0.000 2.572 187 A HA 0.918 5.237 4.320 -0.000 0.000 0.295 187 A C -0.556 177.093 177.584 0.109 0.000 1.072 187 A CA -0.219 51.880 52.037 0.103 0.000 0.691 187 A CB 1.738 20.781 19.000 0.071 0.000 1.291 187 A HN 1.564 nan 8.150 nan 0.000 0.404 188 T N -0.382 114.250 114.554 0.128 0.000 2.993 188 T HA 0.727 5.077 4.350 -0.000 0.000 0.312 188 T C 0.054 174.820 174.700 0.110 0.000 1.115 188 T CA 1.167 63.342 62.100 0.124 0.000 1.027 188 T CB 1.036 69.999 68.868 0.158 0.000 1.116 188 T HN 2.769 nan 8.240 nan 0.000 0.464 189 G N 3.072 111.927 108.800 0.091 0.000 2.341 189 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.196 189 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.196 189 G C -0.598 174.339 174.900 0.062 0.000 1.231 189 G CA -0.382 44.766 45.100 0.079 0.000 1.155 189 G HN 0.840 nan 8.290 nan 0.000 0.529 190 R N 0.149 120.681 120.500 0.054 0.000 3.710 190 R HA 0.506 4.846 4.340 -0.000 0.000 0.201 190 R C -0.232 176.090 176.300 0.038 0.000 1.641 190 R CA 0.068 56.194 56.100 0.045 0.000 1.390 190 R CB -0.292 30.032 30.300 0.040 0.000 1.341 190 R HN 0.699 nan 8.270 nan 0.000 0.728 191 V N 2.081 122.026 119.914 0.051 0.000 2.769 191 V HA 0.239 4.359 4.120 -0.000 0.000 0.312 191 V C -0.977 175.186 176.094 0.114 0.000 1.061 191 V CA -0.924 61.411 62.300 0.058 0.000 0.931 191 V CB 2.088 33.932 31.823 0.035 0.000 1.010 191 V HN 0.489 nan 8.190 nan 0.000 0.433 192 D N 4.482 124.983 120.400 0.169 0.000 2.411 192 D HA 0.094 4.734 4.640 -0.000 0.000 0.225 192 D C 0.689 177.093 176.300 0.174 0.000 1.156 192 D CA -0.125 53.977 54.000 0.170 0.000 0.874 192 D CB 0.832 41.739 40.800 0.179 0.000 1.034 192 D HN 0.537 nan 8.370 nan 0.000 0.502 193 F N 3.568 123.527 119.950 0.014 0.000 2.095 193 F HA -0.245 4.282 4.527 -0.001 0.000 0.298 193 F C 1.663 177.451 175.800 -0.021 0.000 1.104 193 F CA 1.525 59.510 58.000 -0.024 0.000 1.232 193 F CB 0.417 39.368 39.000 -0.082 0.000 0.987 193 F HN 0.328 nan 8.300 nan 0.000 0.475 194 D N -0.199 120.192 120.400 -0.015 0.000 2.144 194 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 194 D C 2.301 178.502 176.300 -0.165 0.000 0.984 194 D CA 1.109 55.039 54.000 -0.117 0.000 0.834 194 D CB -0.424 40.369 40.800 -0.011 0.000 0.955 194 D HN 0.317 nan 8.370 nan 0.000 0.465 195 R N 0.313 120.749 120.500 -0.107 0.000 2.066 195 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 195 R C 2.402 178.628 176.300 -0.124 0.000 1.131 195 R CA 0.712 56.713 56.100 -0.165 0.000 0.955 195 R CB -0.441 29.736 30.300 -0.205 0.000 0.851 195 R HN 0.081 nan 8.270 nan 0.000 0.432 196 L N 0.842 122.084 121.223 0.032 0.000 2.021 196 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 196 L C 1.991 178.749 176.870 -0.186 0.000 1.074 196 L CA 1.732 56.589 54.840 0.028 0.000 0.760 196 L CB -0.688 41.335 42.059 -0.060 0.000 0.889 196 L HN 0.259 nan 8.230 nan 0.000 0.433 197 L N -0.261 120.723 121.223 -0.399 0.000 2.017 197 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 197 L C 2.603 179.333 176.870 -0.233 0.000 1.073 197 L CA 2.129 56.725 54.840 -0.406 0.000 0.745 197 L CB -1.273 40.451 42.059 -0.559 0.000 0.894 197 L HN 0.375 nan 8.230 nan 0.000 0.432 198 A N -1.249 121.451 122.820 -0.200 0.000 1.902 198 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 198 A C 2.254 179.756 177.584 -0.135 0.000 1.181 198 A CA 1.694 53.640 52.037 -0.153 0.000 0.623 198 A CB -0.600 18.312 19.000 -0.146 0.000 0.818 198 A HN 0.441 nan 8.150 nan 0.000 0.443 199 E N 0.129 120.251 120.200 -0.131 0.000 2.110 199 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 199 E C 2.048 178.608 176.600 -0.066 0.000 0.988 199 E CA 1.440 57.792 56.400 -0.081 0.000 0.804 199 E CB -0.445 29.243 29.700 -0.021 0.000 0.745 199 E HN 0.492 nan 8.360 nan 0.000 0.458 200 A N 0.272 123.039 122.820 -0.089 0.000 1.930 200 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 200 A C 2.152 179.632 177.584 -0.173 0.000 1.175 200 A CA 1.677 53.646 52.037 -0.113 0.000 0.627 200 A CB -0.573 18.349 19.000 -0.129 0.000 0.815 200 A HN 0.341 nan 8.150 nan 0.000 0.443 201 E N -0.086 120.022 120.200 -0.154 0.000 2.051 201 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 201 E C 2.240 178.750 176.600 -0.151 0.000 0.991 201 E CA 1.540 57.852 56.400 -0.147 0.000 0.799 201 E CB -0.158 29.472 29.700 -0.118 0.000 0.748 201 E HN 0.576 nan 8.360 nan 0.000 0.449 202 R N -0.030 120.393 120.500 -0.128 0.000 2.073 202 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 202 R C 2.340 178.561 176.300 -0.132 0.000 1.120 202 R CA 1.194 57.229 56.100 -0.109 0.000 0.967 202 R CB -0.169 30.081 30.300 -0.084 0.000 0.862 202 R HN 0.273 nan 8.270 nan 0.000 0.436 203 L N 0.181 121.313 121.223 -0.152 0.000 2.217 203 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 203 L C 1.948 178.592 176.870 -0.377 0.000 1.107 203 L CA 1.539 56.282 54.840 -0.162 0.000 0.783 203 L CB -0.182 41.833 42.059 -0.074 0.000 0.919 203 L HN 0.362 nan 8.230 nan 0.000 0.442 204 T N -4.167 110.020 114.554 -0.612 0.000 3.134 204 T HA 0.023 4.372 4.350 -0.000 0.000 0.260 204 T C 1.363 175.696 174.700 -0.611 0.000 1.027 204 T CA 0.003 61.345 62.100 -1.263 0.000 0.913 204 T CB 0.034 68.082 68.868 -1.367 0.000 1.046 204 T HN 0.474 nan 8.240 nan 0.000 0.553 205 E N 1.643 121.670 120.200 -0.288 0.000 2.153 205 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 205 E C 1.981 178.575 176.600 -0.009 0.000 0.988 205 E CA 1.107 57.437 56.400 -0.116 0.000 0.811 205 E CB -0.408 29.244 29.700 -0.080 0.000 0.746 205 E HN 0.586 nan 8.360 nan 0.000 0.466 206 A N 0.471 123.325 122.820 0.056 0.000 2.251 206 A HA 0.069 4.389 4.320 -0.000 0.000 0.209 206 A C -0.066 177.700 177.584 0.304 0.000 1.187 206 A CA -0.394 51.738 52.037 0.158 0.000 0.823 206 A CB -0.404 18.685 19.000 0.149 0.000 0.846 206 A HN 0.254 nan 8.150 nan 0.000 0.486 207 W N 1.502 122.813 121.300 0.019 0.000 2.170 207 W HA 0.363 5.023 4.660 0.000 0.000 0.342 207 W C -2.070 174.461 176.519 0.019 0.000 1.294 207 W CA -2.269 55.093 57.345 0.027 0.000 1.246 207 W CB -0.423 29.060 29.460 0.038 0.000 1.156 207 W HN 0.109 nan 8.180 nan 0.000 0.572 208 P HA 0.062 nan 4.420 nan 0.000 0.272 208 P C -0.302 177.059 177.300 0.102 0.000 1.230 208 P CA -0.062 63.101 63.100 0.104 0.000 0.788 208 P CB 0.882 32.605 31.700 0.039 0.000 0.949 209 E N -0.313 119.926 120.200 0.065 0.000 2.369 209 E HA 0.545 4.895 4.350 -0.000 0.000 0.255 209 E C 0.230 176.847 176.600 0.028 0.000 1.172 209 E CA -0.170 56.260 56.400 0.050 0.000 0.932 209 E CB 0.475 30.197 29.700 0.036 0.000 1.040 209 E HN 0.751 nan 8.360 nan 0.000 0.454 210 G N 0.901 109.714 108.800 0.022 0.000 2.317 210 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.445 210 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.445 210 G C -1.372 173.529 174.900 0.002 0.000 1.486 210 G CA -0.875 44.228 45.100 0.004 0.000 0.991 210 G HN 0.302 nan 8.290 nan 0.000 0.660 211 E N -0.606 119.590 120.200 -0.008 0.000 2.212 211 E HA 0.771 5.121 4.350 -0.000 0.000 0.270 211 E C -0.035 176.546 176.600 -0.032 0.000 0.956 211 E CA -0.239 56.154 56.400 -0.012 0.000 0.825 211 E CB 2.039 31.737 29.700 -0.004 0.000 1.167 211 E HN 1.183 nan 8.360 nan 0.000 0.400 212 A N 2.567 125.363 122.820 -0.040 0.000 2.355 212 A HA 0.545 4.865 4.320 -0.000 0.000 0.317 212 A C -0.500 177.052 177.584 -0.054 0.000 1.094 212 A CA -0.576 51.422 52.037 -0.065 0.000 0.764 212 A CB 1.005 19.948 19.000 -0.095 0.000 1.230 212 A HN 0.546 nan 8.150 nan 0.000 0.448 213 E N 0.573 120.737 120.200 -0.061 0.000 2.207 213 E HA 0.491 4.841 4.350 -0.000 0.000 0.270 213 E C -0.464 176.071 176.600 -0.108 0.000 0.927 213 E CA -0.760 55.608 56.400 -0.052 0.000 0.799 213 E CB 2.220 31.899 29.700 -0.034 0.000 1.172 213 E HN 0.614 nan 8.360 nan 0.000 0.404 214 R N 1.079 121.489 120.500 -0.149 0.000 2.532 214 R HA 0.584 4.924 4.340 -0.000 0.000 0.295 214 R C -1.113 174.892 176.300 -0.492 0.000 0.968 214 R CA -0.431 55.460 56.100 -0.348 0.000 0.916 214 R CB 1.284 31.294 30.300 -0.483 0.000 1.124 214 R HN 0.546 nan 8.270 nan 0.000 0.463 215 A N 3.545 126.091 122.820 -0.456 0.000 2.363 215 A HA 0.324 4.644 4.320 -0.000 0.000 0.270 215 A C -1.342 175.924 177.584 -0.529 0.000 1.121 215 A CA -0.217 51.604 52.037 -0.360 0.000 0.800 215 A CB 0.191 19.057 19.000 -0.223 0.000 1.052 215 A HN 0.786 nan 8.150 nan 0.000 0.493 216 Y N 3.039 123.316 120.300 -0.037 0.000 2.511 216 Y HA 0.284 4.834 4.550 -0.000 0.000 0.356 216 Y C -1.817 174.097 175.900 0.024 0.000 1.002 216 Y CA -2.035 56.070 58.100 0.009 0.000 1.127 216 Y CB 0.222 38.704 38.460 0.037 0.000 1.137 216 Y HN 0.586 nan 8.280 nan 0.000 0.652 217 P HA 0.226 nan 4.420 nan 0.000 0.272 217 P C -2.656 174.764 177.300 0.200 0.000 1.240 217 P CA -1.360 61.783 63.100 0.072 0.000 0.791 217 P CB 0.417 32.090 31.700 -0.045 0.000 0.978 218 P HA 0.124 nan 4.420 nan 0.000 0.271 218 P C -0.576 176.857 177.300 0.222 0.000 1.216 218 P CA -0.334 62.868 63.100 0.169 0.000 0.771 218 P CB 0.183 31.945 31.700 0.103 0.000 0.864 219 L N 3.379 124.705 121.223 0.172 0.000 2.283 219 L HA 0.358 4.698 4.340 -0.000 0.000 0.287 219 L C 0.082 176.950 176.870 -0.004 0.000 1.073 219 L CA 0.640 55.518 54.840 0.063 0.000 0.822 219 L CB -0.007 42.022 42.059 -0.051 0.000 1.186 219 L HN 0.312 nan 8.230 nan 0.000 0.436 220 T N 7.189 121.710 114.554 -0.056 0.000 3.327 220 T HA 0.470 4.819 4.350 -0.000 0.000 0.373 220 T C -2.519 171.988 174.700 -0.322 0.000 1.589 220 T CA -1.377 60.648 62.100 -0.124 0.000 1.497 220 T CB 0.070 68.905 68.868 -0.054 0.000 1.032 220 T HN 0.523 nan 8.240 nan 0.000 0.640 221 P HA 0.424 nan 4.420 nan 0.000 0.272 221 P C -0.725 175.914 177.300 -1.102 0.000 1.230 221 P CA -0.414 62.032 63.100 -1.090 0.000 0.788 221 P CB 0.698 31.455 31.700 -1.572 0.000 0.949 222 A N 2.037 124.286 122.820 -0.952 0.000 2.306 222 A HA 0.684 5.004 4.320 -0.000 0.000 0.314 222 A C -0.577 176.618 177.584 -0.648 0.000 1.164 222 A CA -0.495 51.161 52.037 -0.635 0.000 0.822 222 A CB -0.007 18.826 19.000 -0.278 0.000 1.130 222 A HN 0.439 nan 8.150 nan 0.000 0.496 223 F N 0.706 120.676 119.950 0.034 0.000 2.594 223 F HA 0.804 5.331 4.527 -0.000 0.000 0.335 223 F C 0.968 176.836 175.800 0.113 0.000 1.058 223 F CA 0.351 58.412 58.000 0.101 0.000 0.981 223 F CB 2.290 41.358 39.000 0.113 0.000 1.289 223 F HN 1.090 nan 8.300 nan 0.000 0.490 224 G N -0.332 108.694 108.800 0.376 0.000 2.293 224 G HA2 0.255 4.215 3.960 -0.000 0.000 0.282 224 G HA3 0.255 4.215 3.960 -0.000 0.000 0.282 224 G C -2.390 172.673 174.900 0.273 0.000 1.299 224 G CA -0.949 44.309 45.100 0.264 0.000 1.018 224 G HN 0.667 nan 8.290 nan 0.000 0.478 225 V N 0.830 120.845 119.914 0.167 0.000 2.483 225 V HA 0.736 4.855 4.120 -0.000 0.000 0.297 225 V C -0.124 175.996 176.094 0.043 0.000 1.027 225 V CA -0.345 62.033 62.300 0.130 0.000 0.855 225 V CB 1.505 33.358 31.823 0.050 0.000 0.995 225 V HN 0.951 nan 8.190 nan 0.000 0.424 226 E N 3.137 123.324 120.200 -0.021 0.000 2.293 226 E HA 0.590 4.939 4.350 -0.000 0.000 0.270 226 E C -1.166 175.221 176.600 -0.355 0.000 0.879 226 E CA -0.620 55.673 56.400 -0.179 0.000 0.756 226 E CB 2.311 31.897 29.700 -0.191 0.000 1.208 226 E HN 0.752 nan 8.360 nan 0.000 0.428 227 E N 2.070 122.103 120.200 -0.279 0.000 2.195 227 E HA 0.442 4.792 4.350 -0.000 0.000 0.271 227 E C -0.964 175.488 176.600 -0.247 0.000 0.923 227 E CA -0.942 55.314 56.400 -0.241 0.000 0.790 227 E CB 1.864 31.497 29.700 -0.111 0.000 1.155 227 E HN 0.195 nan 8.360 nan 0.000 0.402 228 R N 3.434 123.824 120.500 -0.183 0.000 2.507 228 R HA 0.331 4.671 4.340 -0.000 0.000 0.298 228 R C -2.892 173.400 176.300 -0.014 0.000 1.087 228 R CA -1.900 54.135 56.100 -0.107 0.000 0.917 228 R CB 0.913 31.176 30.300 -0.062 0.000 1.173 228 R HN 0.225 nan 8.270 nan 0.000 0.472 229 P HA 0.131 nan 4.420 nan 0.000 0.271 229 P C -1.690 175.510 177.300 -0.168 0.000 1.218 229 P CA -0.076 62.893 63.100 -0.220 0.000 0.780 229 P CB 0.410 31.841 31.700 -0.448 0.000 0.901 230 Y N 0.948 121.090 120.300 -0.265 0.000 2.399 230 Y HA 0.190 4.740 4.550 -0.000 0.000 0.327 230 Y C 0.787 176.725 175.900 0.064 0.000 1.111 230 Y CA -0.954 57.145 58.100 -0.001 0.000 1.047 230 Y CB 1.457 40.056 38.460 0.230 0.000 1.259 230 Y HN 0.309 nan 8.280 nan 0.000 0.434 231 E N 2.179 122.365 120.200 -0.023 0.000 2.153 231 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 231 E C 1.178 177.654 176.600 -0.208 0.000 0.988 231 E CA 1.283 57.682 56.400 -0.003 0.000 0.811 231 E CB 0.184 29.903 29.700 0.033 0.000 0.746 231 E HN 0.358 nan 8.360 nan 0.000 0.466 232 K N 0.374 120.414 120.400 -0.601 0.000 2.365 232 K HA 0.124 4.444 4.320 -0.000 0.000 0.199 232 K C 0.100 176.590 176.600 -0.182 0.000 1.045 232 K CA 0.527 56.538 56.287 -0.460 0.000 0.962 232 K CB 0.020 32.094 32.500 -0.710 0.000 0.759 232 K HN 0.108 nan 8.250 nan 0.000 0.469 233 A N 0.826 123.614 122.820 -0.053 0.000 2.347 233 A HA 0.248 4.567 4.320 -0.000 0.000 0.287 233 A C 0.202 177.877 177.584 0.151 0.000 1.199 233 A CA -0.240 51.893 52.037 0.161 0.000 0.851 233 A CB 0.207 19.388 19.000 0.302 0.000 1.118 233 A HN 0.221 nan 8.150 nan 0.000 0.525 234 R N 1.216 121.830 120.500 0.190 0.000 2.468 234 R HA 0.446 4.786 4.340 -0.000 0.000 0.280 234 R C 0.198 176.553 176.300 0.093 0.000 0.963 234 R CA 0.737 56.906 56.100 0.115 0.000 1.083 234 R CB 0.531 30.877 30.300 0.076 0.000 1.200 234 R HN 0.810 nan 8.270 nan 0.000 0.541 235 A N 0.262 123.156 122.820 0.124 0.000 2.581 235 A HA 0.403 4.723 4.320 -0.000 0.000 0.290 235 A C -1.930 175.573 177.584 -0.135 0.000 1.119 235 A CA -0.831 51.147 52.037 -0.098 0.000 0.670 235 A CB 0.781 19.587 19.000 -0.323 0.000 1.280 235 A HN 0.117 nan 8.150 nan 0.000 0.425 236 L N 0.657 121.740 121.223 -0.234 0.000 2.319 236 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 236 L C -1.607 175.012 176.870 -0.419 0.000 1.099 236 L CA 0.284 55.022 54.840 -0.171 0.000 0.828 236 L CB -0.252 41.743 42.059 -0.107 0.000 1.150 236 L HN 0.467 nan 8.230 nan 0.000 0.442 237 Y N 6.198 126.492 120.300 -0.011 0.000 2.388 237 Y HA 0.514 5.064 4.550 -0.000 0.000 0.328 237 Y C -0.486 175.400 175.900 -0.024 0.000 0.963 237 Y CA -0.738 57.317 58.100 -0.074 0.000 1.240 237 Y CB 1.473 39.947 38.460 0.023 0.000 1.118 237 Y HN 0.551 nan 8.280 nan 0.000 0.484 238 L N 4.789 125.997 121.223 -0.024 0.000 2.296 238 L HA 0.806 5.146 4.340 -0.000 0.000 0.286 238 L C -1.259 175.671 176.870 0.100 0.000 1.023 238 L CA -0.802 54.087 54.840 0.082 0.000 0.812 238 L CB 1.313 43.417 42.059 0.075 0.000 1.223 238 L HN 0.341 nan 8.230 nan 0.000 0.421 239 V N 4.691 124.744 119.914 0.230 0.000 2.540 239 V HA 0.897 5.017 4.120 -0.000 0.000 0.302 239 V C -0.097 176.085 176.094 0.148 0.000 1.035 239 V CA -0.338 62.117 62.300 0.257 0.000 0.873 239 V CB 1.465 33.487 31.823 0.333 0.000 0.992 239 V HN 1.015 nan 8.190 nan 0.000 0.428 240 A N 5.659 128.498 122.820 0.031 0.000 2.355 240 A HA 0.935 5.255 4.320 -0.000 0.000 0.317 240 A C -1.151 176.128 177.584 -0.509 0.000 1.094 240 A CA -0.533 51.274 52.037 -0.383 0.000 0.764 240 A CB 1.139 19.781 19.000 -0.597 0.000 1.230 240 A HN 0.770 nan 8.150 nan 0.000 0.448 241 L N 1.611 122.332 121.223 -0.835 0.000 2.346 241 L HA 0.725 5.065 4.340 -0.000 0.000 0.276 241 L C -1.335 174.871 176.870 -1.107 0.000 1.006 241 L CA -0.345 53.955 54.840 -0.899 0.000 0.817 241 L CB 1.815 43.183 42.059 -1.152 0.000 1.272 241 L HN 0.724 nan 8.230 nan 0.000 0.421 242 F N 1.579 121.359 119.950 -0.283 0.000 2.588 242 F HA 0.491 5.018 4.527 -0.000 0.000 0.310 242 F C -2.270 173.715 175.800 0.307 0.000 1.082 242 F CA -2.456 55.633 58.000 0.148 0.000 0.929 242 F CB 1.594 40.744 39.000 0.250 0.000 1.254 242 F HN 0.211 nan 8.300 nan 0.000 0.455 243 P HA 0.165 nan 4.420 nan 0.000 0.264 243 P C -0.153 177.561 177.300 0.689 0.000 1.183 243 P CA 0.289 63.804 63.100 0.692 0.000 0.763 243 P CB 0.623 32.711 31.700 0.645 0.000 0.807 244 G N 1.376 110.392 108.800 0.360 0.000 3.217 244 G HA2 0.670 4.630 3.960 -0.000 0.000 0.213 244 G HA3 0.670 4.630 3.960 -0.000 0.000 0.213 244 G C -0.842 173.987 174.900 -0.118 0.000 1.294 244 G CA -0.561 44.479 45.100 -0.101 0.000 0.987 244 G HN 0.485 nan 8.290 nan 0.000 0.584 245 V N -2.805 116.897 119.914 -0.353 0.000 2.914 245 V HA 0.903 5.023 4.120 -0.000 0.000 0.314 245 V C 0.261 176.269 176.094 -0.143 0.000 1.084 245 V CA -0.611 61.571 62.300 -0.196 0.000 0.963 245 V CB 1.127 32.784 31.823 -0.277 0.000 1.025 245 V HN 1.417 nan 8.190 nan 0.000 0.432 246 A N 1.709 124.505 122.820 -0.039 0.000 2.257 246 A HA 0.635 4.955 4.320 -0.000 0.000 0.289 246 A C 0.431 177.999 177.584 -0.027 0.000 1.095 246 A CA -0.419 51.636 52.037 0.030 0.000 0.836 246 A CB 0.113 19.173 19.000 0.100 0.000 1.111 246 A HN 0.997 nan 8.150 nan 0.000 0.497 247 Y N -0.491 119.732 120.300 -0.128 0.000 2.241 247 Y HA -0.263 4.286 4.550 -0.000 0.000 0.286 247 Y C 2.421 178.245 175.900 -0.127 0.000 1.166 247 Y CA 2.364 60.345 58.100 -0.198 0.000 1.203 247 Y CB -0.006 38.303 38.460 -0.252 0.000 0.977 247 Y HN 0.736 nan 8.280 nan 0.000 0.529 248 Q N 0.152 120.017 119.800 0.108 0.000 2.435 248 Q HA -0.029 4.310 4.340 -0.000 0.000 0.207 248 Q C -0.213 175.804 176.000 0.028 0.000 0.956 248 Q CA 0.640 56.479 55.803 0.060 0.000 0.917 248 Q CB 0.152 28.922 28.738 0.052 0.000 0.997 248 Q HN 0.408 nan 8.270 nan 0.000 0.497 249 E N 0.102 120.298 120.200 -0.006 0.000 2.175 249 E HA 0.076 4.426 4.350 -0.000 0.000 0.278 249 E C -0.040 176.548 176.600 -0.019 0.000 0.969 249 E CA -0.252 56.150 56.400 0.004 0.000 0.796 249 E CB 1.143 30.848 29.700 0.008 0.000 1.104 249 E HN 0.154 nan 8.360 nan 0.000 0.395 250 E N 2.472 122.719 120.200 0.078 0.000 2.265 250 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 250 E C 1.620 178.317 176.600 0.162 0.000 0.996 250 E CA 0.717 57.239 56.400 0.204 0.000 0.832 250 E CB 0.069 29.891 29.700 0.203 0.000 0.756 250 E HN 0.647 nan 8.360 nan 0.000 0.491 251 A N 1.626 124.480 122.820 0.057 0.000 2.076 251 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 251 A C 1.987 179.521 177.584 -0.084 0.000 1.160 251 A CA 1.504 53.556 52.037 0.025 0.000 0.653 251 A CB -0.595 18.425 19.000 0.034 0.000 0.801 251 A HN 0.337 nan 8.150 nan 0.000 0.455 252 R N -1.605 118.746 120.500 -0.249 0.000 2.152 252 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 252 R C 1.429 177.486 176.300 -0.404 0.000 1.117 252 R CA 1.707 57.556 56.100 -0.418 0.000 0.981 252 R CB -0.725 29.206 30.300 -0.616 0.000 0.870 252 R HN 0.409 nan 8.270 nan 0.000 0.451 253 F N 2.115 122.031 119.950 -0.056 0.000 2.074 253 F HA 0.065 4.592 4.527 -0.000 0.000 0.293 253 F C -0.430 175.355 175.800 -0.025 0.000 1.116 253 F CA 0.374 58.345 58.000 -0.049 0.000 1.212 253 F CB -1.554 37.416 39.000 -0.050 0.000 0.998 253 F HN 0.012 nan 8.300 nan 0.000 0.471 254 P HA -0.070 nan 4.420 nan 0.000 0.222 254 P C 1.781 179.133 177.300 0.086 0.000 1.147 254 P CA 1.860 65.018 63.100 0.098 0.000 0.790 254 P CB -0.383 31.369 31.700 0.087 0.000 0.780 255 G N 0.533 109.377 108.800 0.073 0.000 2.446 255 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 255 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 255 G C 1.700 176.727 174.900 0.210 0.000 1.168 255 G CA 0.590 45.784 45.100 0.158 0.000 0.771 255 G HN 0.203 nan 8.290 nan 0.000 0.551 256 Q N 0.079 119.933 119.800 0.091 0.000 2.119 256 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 256 Q C 2.998 179.111 176.000 0.188 0.000 0.972 256 Q CA 0.763 56.651 55.803 0.142 0.000 0.847 256 Q CB -0.607 28.144 28.738 0.022 0.000 0.903 256 Q HN 0.410 nan 8.270 nan 0.000 0.433 257 V N 1.330 121.302 119.914 0.097 0.000 2.295 257 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 257 V C 2.371 178.525 176.094 0.101 0.000 1.049 257 V CA 1.516 63.859 62.300 0.072 0.000 1.024 257 V CB -0.728 31.117 31.823 0.036 0.000 0.648 257 V HN 0.243 nan 8.190 nan 0.000 0.447 258 L N 1.076 122.348 121.223 0.082 0.000 1.989 258 L HA -0.163 4.176 4.340 -0.000 0.000 0.211 258 L C 2.500 179.387 176.870 0.029 0.000 1.071 258 L CA 2.574 57.420 54.840 0.010 0.000 0.749 258 L CB -1.186 40.850 42.059 -0.039 0.000 0.890 258 L HN 0.236 nan 8.230 nan 0.000 0.431 259 A N -1.367 121.584 122.820 0.218 0.000 1.892 259 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 259 A C 2.174 179.852 177.584 0.158 0.000 1.188 259 A CA 2.226 54.463 52.037 0.333 0.000 0.631 259 A CB -1.150 18.095 19.000 0.408 0.000 0.822 259 A HN 0.710 nan 8.150 nan 0.000 0.447 260 H N -1.025 118.096 119.070 0.085 0.000 2.389 260 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 260 H C 1.916 177.258 175.328 0.022 0.000 1.081 260 H CA 1.367 57.446 56.048 0.052 0.000 1.345 260 H CB -0.243 29.540 29.762 0.035 0.000 1.393 260 H HN 0.439 nan 8.280 nan 0.000 0.520 261 L N -0.156 121.129 121.223 0.104 0.000 2.043 261 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 261 L C 1.788 178.642 176.870 -0.027 0.000 1.075 261 L CA 1.357 56.212 54.840 0.026 0.000 0.752 261 L CB -0.213 41.837 42.059 -0.015 0.000 0.891 261 L HN 0.259 nan 8.230 nan 0.000 0.432 262 L N -1.068 120.088 121.223 -0.112 0.000 2.072 262 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 262 L C 2.216 179.056 176.870 -0.051 0.000 1.079 262 L CA 1.281 56.000 54.840 -0.202 0.000 0.752 262 L CB -0.558 41.120 42.059 -0.635 0.000 0.906 262 L HN 0.401 nan 8.230 nan 0.000 0.436 263 G N -1.802 107.005 108.800 0.012 0.000 3.044 263 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.223 263 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.223 263 G C 0.247 175.148 174.900 0.002 0.000 1.123 263 G CA -0.295 44.838 45.100 0.055 0.000 0.765 263 G HN 0.105 nan 8.290 nan 0.000 0.546 264 E N 1.692 121.884 120.200 -0.013 0.000 2.558 264 E HA 0.023 4.373 4.350 -0.000 0.000 0.255 264 E C 0.491 177.075 176.600 -0.025 0.000 0.968 264 E CA -0.081 56.314 56.400 -0.009 0.000 0.939 264 E CB 0.233 29.960 29.700 0.046 0.000 0.921 264 E HN 0.404 nan 8.360 nan 0.000 0.477 265 E N 3.190 123.366 120.200 -0.039 0.000 2.417 265 E HA 0.089 4.439 4.350 -0.000 0.000 0.261 265 E C 0.765 177.235 176.600 -0.217 0.000 1.000 265 E CA 0.785 57.139 56.400 -0.077 0.000 0.919 265 E CB 0.029 29.705 29.700 -0.041 0.000 0.955 265 E HN 0.822 nan 8.360 nan 0.000 0.455 266 G N 3.082 111.573 108.800 -0.515 0.000 2.184 266 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 266 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 266 G C 0.670 175.064 174.900 -0.843 0.000 0.975 266 G CA 0.978 45.456 45.100 -1.036 0.000 0.642 266 G HN 0.908 nan 8.290 nan 0.000 0.536 267 S N -1.788 113.683 115.700 -0.382 0.000 2.560 267 S HA 0.534 5.004 4.470 -0.000 0.000 0.281 267 S C 1.354 176.061 174.600 0.180 0.000 1.075 267 S CA 1.014 59.206 58.200 -0.014 0.000 1.295 267 S CB 0.163 63.389 63.200 0.043 0.000 1.156 267 S HN 1.638 nan 8.310 nan 0.000 0.627 268 G N 1.452 110.305 108.800 0.088 0.000 2.653 268 G HA2 0.401 4.360 3.960 -0.000 0.000 0.265 268 G HA3 0.401 4.360 3.960 -0.000 0.000 0.265 268 G C 0.536 175.555 174.900 0.199 0.000 1.237 268 G CA -0.663 44.510 45.100 0.122 0.000 0.946 268 G HN 0.283 nan 8.290 nan 0.000 0.522 269 R N -0.758 119.815 120.500 0.121 0.000 2.115 269 R HA 0.008 4.348 4.340 -0.000 0.000 0.230 269 R C 2.470 178.837 176.300 0.112 0.000 1.111 269 R CA 0.656 56.830 56.100 0.124 0.000 0.976 269 R CB -0.309 29.994 30.300 0.005 0.000 0.870 269 R HN 0.423 nan 8.270 nan 0.000 0.445 270 L N -0.341 120.922 121.223 0.067 0.000 2.217 270 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 270 L C 2.671 179.566 176.870 0.042 0.000 1.107 270 L CA 0.893 55.768 54.840 0.058 0.000 0.783 270 L CB -0.700 41.406 42.059 0.078 0.000 0.919 270 L HN 0.349 nan 8.230 nan 0.000 0.442 271 H N 0.593 119.632 119.070 -0.052 0.000 2.290 271 H HA -0.210 4.346 4.556 -0.000 0.000 0.298 271 H C 2.188 177.368 175.328 -0.246 0.000 1.087 271 H CA 2.221 58.152 56.048 -0.195 0.000 1.291 271 H CB -0.044 29.501 29.762 -0.361 0.000 1.369 271 H HN 0.220 nan 8.280 nan 0.000 0.492 272 F N 0.582 120.513 119.950 -0.033 0.000 2.259 272 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 272 F C 2.921 178.664 175.800 -0.094 0.000 1.088 272 F CA 0.854 58.803 58.000 -0.086 0.000 1.358 272 F CB -0.456 38.553 39.000 0.014 0.000 1.040 272 F HN 0.234 nan 8.300 nan 0.000 0.505 273 A N -0.572 122.303 122.820 0.091 0.000 1.968 273 A HA 0.062 4.381 4.320 -0.000 0.000 0.217 273 A C 1.986 179.564 177.584 -0.010 0.000 1.169 273 A CA 1.342 53.404 52.037 0.041 0.000 0.638 273 A CB -0.429 18.594 19.000 0.038 0.000 0.812 273 A HN 0.396 nan 8.150 nan 0.000 0.446 274 L N -2.382 118.810 121.223 -0.052 0.000 2.738 274 L HA 0.097 4.436 4.340 -0.000 0.000 0.175 274 L C 2.259 179.053 176.870 -0.127 0.000 1.125 274 L CA 0.279 55.081 54.840 -0.064 0.000 0.857 274 L CB -0.259 41.784 42.059 -0.027 0.000 1.300 274 L HN 0.099 nan 8.230 nan 0.000 0.499 275 V N 0.242 120.029 119.914 -0.212 0.000 2.307 275 V HA -0.276 3.843 4.120 -0.000 0.000 0.245 275 V C 1.959 177.848 176.094 -0.342 0.000 1.045 275 V CA 2.295 64.443 62.300 -0.254 0.000 1.024 275 V CB -0.428 31.267 31.823 -0.213 0.000 0.651 275 V HN 0.478 nan 8.190 nan 0.000 0.449 276 D N -0.093 119.956 120.400 -0.586 0.000 2.263 276 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 276 D C 2.029 178.247 176.300 -0.135 0.000 0.971 276 D CA 1.049 54.821 54.000 -0.379 0.000 0.867 276 D CB -0.067 40.500 40.800 -0.389 0.000 0.929 276 D HN 0.331 nan 8.370 nan 0.000 0.492 277 K N -1.103 119.231 120.400 -0.111 0.000 2.444 277 K HA 0.182 4.502 4.320 -0.000 0.000 0.193 277 K C 1.145 177.716 176.600 -0.049 0.000 1.024 277 K CA 0.502 56.758 56.287 -0.051 0.000 1.077 277 K CB 0.511 32.992 32.500 -0.033 0.000 0.833 277 K HN 0.214 nan 8.250 nan 0.000 0.517 278 G N 1.182 109.942 108.800 -0.066 0.000 2.148 278 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.254 278 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.254 278 G C 0.613 175.484 174.900 -0.048 0.000 0.981 278 G CA 0.057 45.127 45.100 -0.051 0.000 0.670 278 G HN 0.173 nan 8.290 nan 0.000 0.528 279 L N 0.158 121.349 121.223 -0.053 0.000 2.240 279 L HA 0.626 4.966 4.340 -0.000 0.000 0.211 279 L C 1.730 178.568 176.870 -0.054 0.000 1.106 279 L CA 2.269 57.081 54.840 -0.046 0.000 0.793 279 L CB -0.220 41.816 42.059 -0.039 0.000 0.927 279 L HN 0.884 nan 8.230 nan 0.000 0.446 280 A N -1.846 120.937 122.820 -0.062 0.000 2.587 280 A HA 0.608 4.927 4.320 -0.000 0.000 0.293 280 A C 0.279 177.828 177.584 -0.058 0.000 1.087 280 A CA -0.462 51.536 52.037 -0.066 0.000 0.692 280 A CB 0.935 19.901 19.000 -0.058 0.000 1.291 280 A HN 0.065 nan 8.150 nan 0.000 0.407 281 E N -0.526 119.641 120.200 -0.056 0.000 2.364 281 E HA 0.299 4.649 4.350 -0.000 0.000 0.196 281 E C -0.311 176.293 176.600 0.006 0.000 0.990 281 E CA 0.793 57.176 56.400 -0.030 0.000 0.886 281 E CB 0.754 30.433 29.700 -0.035 0.000 0.866 281 E HN 0.357 nan 8.360 nan 0.000 0.493 282 V N 0.360 120.282 119.914 0.013 0.000 2.733 282 V HA 0.771 4.891 4.120 -0.000 0.000 0.306 282 V C -1.151 174.994 176.094 0.085 0.000 1.084 282 V CA -0.978 61.372 62.300 0.084 0.000 0.905 282 V CB 1.876 33.805 31.823 0.176 0.000 1.010 282 V HN 0.063 nan 8.190 nan 0.000 0.424 283 A N 2.887 125.781 122.820 0.123 0.000 2.427 283 A HA 0.938 5.257 4.320 -0.000 0.000 0.298 283 A C -0.743 176.947 177.584 0.177 0.000 1.036 283 A CA -0.475 51.645 52.037 0.137 0.000 0.701 283 A CB 2.211 21.261 19.000 0.084 0.000 1.250 283 A HN 0.735 nan 8.150 nan 0.000 0.412 284 S N 0.367 116.206 115.700 0.231 0.000 2.556 284 S HA 0.850 5.320 4.470 -0.000 0.000 0.271 284 S C -1.890 172.834 174.600 0.207 0.000 1.135 284 S CA -0.309 58.013 58.200 0.203 0.000 0.858 284 S CB 1.169 64.504 63.200 0.226 0.000 1.114 284 S HN 1.008 nan 8.310 nan 0.000 0.468 285 F N 1.024 120.919 119.950 -0.093 0.000 2.596 285 F HA 0.700 5.227 4.527 -0.000 0.000 0.311 285 F C -0.017 175.581 175.800 -0.336 0.000 1.116 285 F CA 0.027 57.892 58.000 -0.226 0.000 0.957 285 F CB 1.877 40.803 39.000 -0.122 0.000 1.250 285 F HN 0.722 nan 8.300 nan 0.000 0.444 286 G N 3.759 112.099 108.800 -0.766 0.000 2.672 286 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 286 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 286 G C -2.653 172.135 174.900 -0.187 0.000 1.375 286 G CA -0.875 44.007 45.100 -0.363 0.000 0.890 286 G HN 0.699 nan 8.290 nan 0.000 0.476 287 L N -0.140 121.079 121.223 -0.007 0.000 2.313 287 L HA 0.805 5.145 4.340 -0.000 0.000 0.283 287 L C -0.842 175.951 176.870 -0.128 0.000 1.013 287 L CA -0.885 53.855 54.840 -0.168 0.000 0.816 287 L CB 1.716 43.605 42.059 -0.283 0.000 1.236 287 L HN 0.397 nan 8.230 nan 0.000 0.419 288 E N 3.217 123.351 120.200 -0.110 0.000 2.121 288 E HA 0.357 4.707 4.350 -0.000 0.000 0.255 288 E C -0.911 175.648 176.600 -0.068 0.000 0.906 288 E CA -0.346 56.039 56.400 -0.025 0.000 0.745 288 E CB 0.737 30.501 29.700 0.107 0.000 1.155 288 E HN 0.547 nan 8.360 nan 0.000 0.424 289 E N 1.355 121.455 120.200 -0.167 0.000 2.398 289 E HA 0.461 4.810 4.350 -0.000 0.000 0.263 289 E C -0.237 176.439 176.600 0.127 0.000 1.046 289 E CA -0.041 56.261 56.400 -0.163 0.000 0.908 289 E CB 0.852 30.239 29.700 -0.521 0.000 0.963 289 E HN 0.495 nan 8.360 nan 0.000 0.431 290 A N 1.688 124.660 122.820 0.254 0.000 2.504 290 A HA 0.440 4.760 4.320 -0.000 0.000 0.285 290 A C -1.081 176.791 177.584 0.479 0.000 1.261 290 A CA -0.787 51.493 52.037 0.404 0.000 0.741 290 A CB 1.005 20.182 19.000 0.295 0.000 1.327 290 A HN 0.542 nan 8.150 nan 0.000 0.441 291 D N 0.532 121.247 120.400 0.524 0.000 2.359 291 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 291 D C 0.459 176.961 176.300 0.337 0.000 1.264 291 D CA 0.596 54.854 54.000 0.431 0.000 0.911 291 D CB -0.518 40.426 40.800 0.241 0.000 1.056 291 D HN 0.510 nan 8.370 nan 0.000 0.499 292 R N 0.781 121.419 120.500 0.230 0.000 3.875 292 R HA -0.179 4.161 4.340 -0.000 0.000 0.321 292 R C -0.383 176.025 176.300 0.179 0.000 1.196 292 R CA 0.985 57.164 56.100 0.131 0.000 0.868 292 R CB -1.783 28.494 30.300 -0.038 0.000 1.333 292 R HN 0.464 nan 8.270 nan 0.000 0.522 293 A N -1.392 121.552 122.820 0.206 0.000 2.564 293 A HA 0.863 5.183 4.320 -0.000 0.000 0.291 293 A C -0.576 177.115 177.584 0.178 0.000 1.102 293 A CA -0.146 52.007 52.037 0.194 0.000 0.660 293 A CB 1.741 20.863 19.000 0.203 0.000 1.283 293 A HN 0.441 nan 8.150 nan 0.000 0.430 294 G N -1.099 107.801 108.800 0.167 0.000 2.547 294 G HA2 0.791 4.751 3.960 -0.000 0.000 0.291 294 G HA3 0.791 4.751 3.960 -0.000 0.000 0.291 294 G C -0.920 174.038 174.900 0.096 0.000 1.471 294 G CA 0.438 45.587 45.100 0.082 0.000 0.798 294 G HN 1.903 nan 8.290 nan 0.000 0.504 295 T N -1.737 112.821 114.554 0.006 0.000 2.900 295 T HA 0.737 5.086 4.350 -0.000 0.000 0.303 295 T C -0.964 173.648 174.700 -0.147 0.000 1.142 295 T CA -0.737 61.357 62.100 -0.010 0.000 1.007 295 T CB 1.735 70.591 68.868 -0.021 0.000 1.156 295 T HN 0.362 nan 8.240 nan 0.000 0.490 296 F N 2.089 122.067 119.950 0.047 0.000 2.403 296 F HA 0.621 5.148 4.527 -0.000 0.000 0.326 296 F C 1.118 176.852 175.800 -0.110 0.000 1.081 296 F CA -0.385 57.574 58.000 -0.068 0.000 1.041 296 F CB 1.269 40.298 39.000 0.049 0.000 1.234 296 F HN 0.846 nan 8.300 nan 0.000 0.503 297 H N 0.171 119.052 119.070 -0.316 0.000 2.996 297 H HA 0.789 5.345 4.556 -0.000 0.000 0.368 297 H C -1.952 173.040 175.328 -0.560 0.000 1.185 297 H CA -1.312 54.567 56.048 -0.282 0.000 1.160 297 H CB 1.148 30.858 29.762 -0.085 0.000 1.820 297 H HN 0.763 nan 8.280 nan 0.000 0.547 298 A N 2.641 125.437 122.820 -0.040 0.000 2.325 298 A HA 0.549 4.869 4.320 -0.000 0.000 0.333 298 A C -1.829 175.980 177.584 0.374 0.000 1.155 298 A CA -0.757 51.388 52.037 0.181 0.000 0.814 298 A CB 1.167 20.434 19.000 0.445 0.000 1.206 298 A HN 0.693 nan 8.150 nan 0.000 0.482 299 Y N 1.378 121.812 120.300 0.224 0.000 2.386 299 Y HA 0.562 5.112 4.550 -0.000 0.000 0.334 299 Y C -1.422 174.573 175.900 0.158 0.000 1.002 299 Y CA -0.650 57.569 58.100 0.198 0.000 1.068 299 Y CB 1.935 40.497 38.460 0.170 0.000 1.203 299 Y HN 0.479 nan 8.280 nan 0.000 0.443 300 V N 6.687 126.380 119.914 -0.370 0.000 2.525 300 V HA 0.324 4.444 4.120 -0.000 0.000 0.299 300 V C -0.790 174.998 176.094 -0.510 0.000 1.034 300 V CA -0.781 61.344 62.300 -0.293 0.000 0.863 300 V CB 1.628 33.403 31.823 -0.079 0.000 0.999 300 V HN 0.775 nan 8.190 nan 0.000 0.423 301 Q N 3.204 122.758 119.800 -0.409 0.000 2.303 301 Q HA 0.770 5.110 4.340 -0.000 0.000 0.257 301 Q C -0.527 175.309 176.000 -0.273 0.000 0.941 301 Q CA -0.202 55.348 55.803 -0.422 0.000 0.931 301 Q CB 1.691 30.257 28.738 -0.286 0.000 1.215 301 Q HN 0.971 nan 8.270 nan 0.000 0.437 302 A N 3.464 126.108 122.820 -0.293 0.000 2.567 302 A HA 0.350 4.670 4.320 -0.000 0.000 0.289 302 A C -1.430 176.054 177.584 -0.165 0.000 1.177 302 A CA -0.783 51.148 52.037 -0.177 0.000 0.694 302 A CB 1.408 20.335 19.000 -0.121 0.000 1.292 302 A HN 0.779 nan 8.150 nan 0.000 0.425 303 D N 0.685 121.022 120.400 -0.104 0.000 2.383 303 D HA 0.216 4.856 4.640 -0.000 0.000 0.252 303 D C -1.375 174.887 176.300 -0.064 0.000 1.166 303 D CA -1.261 52.694 54.000 -0.077 0.000 0.879 303 D CB 1.244 42.013 40.800 -0.052 0.000 1.164 303 D HN 0.140 nan 8.370 nan 0.000 0.462 304 P HA -0.103 nan 4.420 nan 0.000 0.222 304 P C 0.873 178.161 177.300 -0.019 0.000 1.147 304 P CA 0.657 63.739 63.100 -0.029 0.000 0.790 304 P CB 0.123 31.817 31.700 -0.009 0.000 0.780 305 A N 0.191 122.999 122.820 -0.019 0.000 2.172 305 A HA -0.084 4.235 4.320 -0.000 0.000 0.216 305 A C 1.934 179.507 177.584 -0.018 0.000 1.154 305 A CA 0.890 52.918 52.037 -0.014 0.000 0.701 305 A CB -0.574 18.418 19.000 -0.013 0.000 0.789 305 A HN 0.062 nan 8.150 nan 0.000 0.465 306 R N -0.137 120.349 120.500 -0.025 0.000 2.468 306 R HA 0.062 4.402 4.340 -0.000 0.000 0.280 306 R C 1.377 177.662 176.300 -0.025 0.000 0.963 306 R CA 0.657 56.742 56.100 -0.025 0.000 1.083 306 R CB -0.171 30.111 30.300 -0.031 0.000 1.200 306 R HN 0.836 nan 8.270 nan 0.000 0.541 307 K N 0.397 120.784 120.400 -0.022 0.000 2.074 307 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 307 K C 1.859 178.449 176.600 -0.018 0.000 1.048 307 K CA 1.945 58.220 56.287 -0.019 0.000 0.926 307 K CB -0.517 31.975 32.500 -0.014 0.000 0.713 307 K HN 0.082 nan 8.250 nan 0.000 0.444 308 G N 0.931 109.719 108.800 -0.019 0.000 2.408 308 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.217 308 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.217 308 G C 1.425 176.310 174.900 -0.024 0.000 1.150 308 G CA 0.727 45.813 45.100 -0.023 0.000 0.776 308 G HN 0.560 nan 8.290 nan 0.000 0.542 309 E N -0.080 120.108 120.200 -0.020 0.000 2.047 309 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 309 E C 2.670 179.261 176.600 -0.015 0.000 0.987 309 E CA 0.928 57.316 56.400 -0.019 0.000 0.799 309 E CB -0.034 29.655 29.700 -0.018 0.000 0.752 309 E HN 0.224 nan 8.360 nan 0.000 0.449 310 V N 1.394 121.300 119.914 -0.014 0.000 2.233 310 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 310 V C 2.470 178.571 176.094 0.012 0.000 1.050 310 V CA 1.694 63.992 62.300 -0.004 0.000 1.010 310 V CB -0.659 31.157 31.823 -0.012 0.000 0.637 310 V HN 0.354 nan 8.190 nan 0.000 0.444 311 L N 0.904 122.128 121.223 0.002 0.000 2.013 311 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 311 L C 2.446 179.285 176.870 -0.051 0.000 1.073 311 L CA 2.612 57.441 54.840 -0.018 0.000 0.753 311 L CB -1.139 40.887 42.059 -0.055 0.000 0.890 311 L HN 0.263 nan 8.230 nan 0.000 0.432 312 A N -1.460 121.332 122.820 -0.047 0.000 1.902 312 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 312 A C 2.275 179.847 177.584 -0.020 0.000 1.181 312 A CA 1.967 53.977 52.037 -0.046 0.000 0.623 312 A CB -1.091 17.887 19.000 -0.037 0.000 0.818 312 A HN 0.324 nan 8.150 nan 0.000 0.443 313 V N -0.160 119.751 119.914 -0.004 0.000 2.295 313 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 313 V C 2.484 178.597 176.094 0.032 0.000 1.049 313 V CA 1.980 64.285 62.300 0.008 0.000 1.024 313 V CB -0.874 30.953 31.823 0.007 0.000 0.648 313 V HN 0.593 nan 8.190 nan 0.000 0.447 314 L N 0.213 121.475 121.223 0.064 0.000 1.990 314 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 314 L C 2.514 179.474 176.870 0.149 0.000 1.072 314 L CA 2.085 57.008 54.840 0.137 0.000 0.755 314 L CB -0.978 41.223 42.059 0.236 0.000 0.889 314 L HN 0.378 nan 8.230 nan 0.000 0.432 315 Q N -0.736 119.122 119.800 0.096 0.000 2.096 315 Q HA -0.262 4.077 4.340 -0.000 0.000 0.204 315 Q C 2.165 178.188 176.000 0.038 0.000 0.982 315 Q CA 2.140 57.980 55.803 0.063 0.000 0.850 315 Q CB -0.234 28.444 28.738 -0.101 0.000 0.901 315 Q HN 0.651 nan 8.270 nan 0.000 0.422 316 E N 0.168 120.374 120.200 0.010 0.000 2.106 316 E HA -0.164 4.185 4.350 -0.000 0.000 0.192 316 E C 1.996 178.591 176.600 -0.009 0.000 0.984 316 E CA 0.589 56.987 56.400 -0.003 0.000 0.806 316 E CB 0.162 29.856 29.700 -0.010 0.000 0.750 316 E HN 0.251 nan 8.360 nan 0.000 0.458 317 E N 0.558 120.755 120.200 -0.005 0.000 2.077 317 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 317 E C 2.207 178.766 176.600 -0.069 0.000 0.989 317 E CA 0.804 57.185 56.400 -0.031 0.000 0.800 317 E CB -0.092 29.594 29.700 -0.022 0.000 0.746 317 E HN 0.333 nan 8.360 nan 0.000 0.452 318 L N 0.298 121.487 121.223 -0.057 0.000 2.072 318 L HA -0.155 4.184 4.340 -0.000 0.000 0.205 318 L C 2.285 179.103 176.870 -0.085 0.000 1.079 318 L CA 1.246 56.017 54.840 -0.116 0.000 0.752 318 L CB -0.368 41.637 42.059 -0.091 0.000 0.906 318 L HN 0.053 nan 8.230 nan 0.000 0.436 319 D N 0.014 120.393 120.400 -0.034 0.000 2.117 319 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 319 D C 2.356 178.631 176.300 -0.042 0.000 0.987 319 D CA 0.956 54.939 54.000 -0.029 0.000 0.829 319 D CB 0.143 40.936 40.800 -0.011 0.000 0.961 319 D HN 0.045 nan 8.370 nan 0.000 0.460 320 R N -0.314 120.159 120.500 -0.044 0.000 2.073 320 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 320 R C 2.200 178.463 176.300 -0.061 0.000 1.134 320 R CA 0.979 57.051 56.100 -0.046 0.000 0.952 320 R CB -0.428 29.846 30.300 -0.043 0.000 0.850 320 R HN 0.223 nan 8.270 nan 0.000 0.433 321 L N 0.485 121.657 121.223 -0.086 0.000 2.042 321 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 321 L C 2.186 179.001 176.870 -0.091 0.000 1.076 321 L CA 2.389 57.165 54.840 -0.107 0.000 0.749 321 L CB -1.017 40.941 42.059 -0.169 0.000 0.893 321 L HN 0.352 nan 8.230 nan 0.000 0.432 322 G N -1.348 107.402 108.800 -0.084 0.000 2.408 322 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 322 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 322 G C 1.835 176.708 174.900 -0.045 0.000 1.150 322 G CA 0.735 45.797 45.100 -0.063 0.000 0.776 322 G HN 0.397 nan 8.290 nan 0.000 0.542 323 R N 0.216 120.691 120.500 -0.042 0.000 2.062 323 R HA 0.068 4.408 4.340 -0.000 0.000 0.226 323 R C 2.379 178.660 176.300 -0.032 0.000 1.125 323 R CA 1.589 57.669 56.100 -0.032 0.000 0.966 323 R CB -0.227 30.056 30.300 -0.029 0.000 0.861 323 R HN 0.466 nan 8.270 nan 0.000 0.433 324 E N -0.653 119.525 120.200 -0.037 0.000 2.251 324 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 324 E C 0.468 177.046 176.600 -0.037 0.000 0.964 324 E CA 0.654 57.033 56.400 -0.034 0.000 0.868 324 E CB 0.394 30.072 29.700 -0.036 0.000 0.828 324 E HN 0.423 nan 8.360 nan 0.000 0.481 325 G N 0.544 109.317 108.800 -0.045 0.000 2.642 325 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.231 325 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.231 325 G C -0.158 174.714 174.900 -0.048 0.000 1.338 325 G CA -0.110 44.962 45.100 -0.046 0.000 0.883 325 G HN 0.831 nan 8.290 nan 0.000 0.570 326 V N -2.067 117.822 119.914 -0.042 0.000 2.960 326 V HA 1.023 5.143 4.120 -0.000 0.000 0.315 326 V C 0.725 176.801 176.094 -0.030 0.000 1.087 326 V CA 0.420 62.696 62.300 -0.039 0.000 0.982 326 V CB 1.543 33.341 31.823 -0.042 0.000 1.039 326 V HN 2.428 nan 8.190 nan 0.000 0.437 327 G N 0.796 109.579 108.800 -0.028 0.000 2.537 327 G HA2 0.524 4.484 3.960 -0.000 0.000 0.323 327 G HA3 0.524 4.484 3.960 -0.000 0.000 0.323 327 G C 0.039 174.927 174.900 -0.021 0.000 1.207 327 G CA -0.175 44.911 45.100 -0.024 0.000 0.976 327 G HN 0.914 nan 8.290 nan 0.000 0.487 328 E N -0.284 119.905 120.200 -0.018 0.000 2.110 328 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 328 E C 2.186 178.776 176.600 -0.017 0.000 0.988 328 E CA 1.708 58.098 56.400 -0.017 0.000 0.804 328 E CB 0.103 29.794 29.700 -0.016 0.000 0.745 328 E HN 0.681 nan 8.360 nan 0.000 0.458 329 E N 0.010 120.199 120.200 -0.019 0.000 2.047 329 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 329 E C 2.081 178.670 176.600 -0.017 0.000 0.987 329 E CA 1.078 57.467 56.400 -0.019 0.000 0.799 329 E CB -0.132 29.555 29.700 -0.021 0.000 0.752 329 E HN 0.340 nan 8.360 nan 0.000 0.449 330 E N 0.770 120.958 120.200 -0.019 0.000 2.077 330 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 330 E C 2.164 178.759 176.600 -0.008 0.000 0.989 330 E CA 0.938 57.329 56.400 -0.015 0.000 0.800 330 E CB 0.178 29.865 29.700 -0.022 0.000 0.746 330 E HN 0.033 nan 8.360 nan 0.000 0.452 331 V N 1.686 121.593 119.914 -0.012 0.000 2.332 331 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 331 V C 2.340 178.428 176.094 -0.009 0.000 1.055 331 V CA 1.900 64.195 62.300 -0.009 0.000 1.038 331 V CB -0.457 31.360 31.823 -0.011 0.000 0.651 331 V HN 0.271 nan 8.190 nan 0.000 0.450 332 E N 0.203 120.395 120.200 -0.013 0.000 2.051 332 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 332 E C 2.390 178.982 176.600 -0.014 0.000 0.991 332 E CA 1.196 57.586 56.400 -0.017 0.000 0.799 332 E CB -0.381 29.308 29.700 -0.018 0.000 0.748 332 E HN 0.570 nan 8.360 nan 0.000 0.449 333 R N 0.500 120.996 120.500 -0.006 0.000 2.103 333 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 333 R C 2.292 178.598 176.300 0.011 0.000 1.142 333 R CA 1.437 57.539 56.100 0.003 0.000 0.960 333 R CB -0.427 29.880 30.300 0.011 0.000 0.858 333 R HN 0.121 nan 8.270 nan 0.000 0.439 334 A N 1.237 124.065 122.820 0.014 0.000 1.969 334 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 334 A C 1.907 179.491 177.584 0.001 0.000 1.169 334 A CA 1.222 53.277 52.037 0.030 0.000 0.635 334 A CB -0.134 18.888 19.000 0.038 0.000 0.810 334 A HN 0.192 nan 8.150 nan 0.000 0.445 335 K N -0.895 119.491 120.400 -0.023 0.000 2.167 335 K HA -0.029 4.290 4.320 -0.000 0.000 0.203 335 K C 2.034 178.591 176.600 -0.073 0.000 1.052 335 K CA 1.437 57.691 56.287 -0.055 0.000 0.956 335 K CB -0.214 32.259 32.500 -0.045 0.000 0.735 335 K HN 0.439 nan 8.250 nan 0.000 0.451 336 T N 1.572 116.094 114.554 -0.053 0.000 2.652 336 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 336 T C -1.091 173.559 174.700 -0.083 0.000 1.039 336 T CA 1.370 63.432 62.100 -0.063 0.000 1.153 336 T CB -0.911 67.933 68.868 -0.040 0.000 0.863 336 T HN 0.136 nan 8.240 nan 0.000 0.428 337 P HA 0.027 nan 4.420 nan 0.000 0.219 337 P C 1.585 178.824 177.300 -0.101 0.000 1.150 337 P CA 0.451 63.519 63.100 -0.053 0.000 0.814 337 P CB -0.134 31.575 31.700 0.015 0.000 0.787 338 L N -0.003 121.131 121.223 -0.148 0.000 2.027 338 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 338 L C 2.258 179.008 176.870 -0.200 0.000 1.074 338 L CA 2.075 56.757 54.840 -0.263 0.000 0.745 338 L CB -1.572 40.238 42.059 -0.416 0.000 0.898 338 L HN -0.113 nan 8.230 nan 0.000 0.433 339 A N -1.535 121.184 122.820 -0.168 0.000 1.930 339 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 339 A C 2.442 179.895 177.584 -0.218 0.000 1.175 339 A CA 2.214 54.154 52.037 -0.161 0.000 0.627 339 A CB -1.304 17.618 19.000 -0.131 0.000 0.815 339 A HN 0.588 nan 8.150 nan 0.000 0.443 340 T N -1.374 113.018 114.554 -0.271 0.000 2.857 340 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 340 T C 1.914 176.224 174.700 -0.649 0.000 1.048 340 T CA 1.911 63.717 62.100 -0.490 0.000 1.139 340 T CB -0.705 67.850 68.868 -0.520 0.000 0.874 340 T HN 0.415 nan 8.240 nan 0.000 0.455 341 G N 1.271 109.865 108.800 -0.343 0.000 2.450 341 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 341 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 341 G C 1.566 176.410 174.900 -0.092 0.000 1.130 341 G CA 0.895 45.911 45.100 -0.139 0.000 0.760 341 G HN 0.559 nan 8.290 nan 0.000 0.557 342 L N -0.100 121.037 121.223 -0.143 0.000 2.179 342 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 342 L C 2.917 179.728 176.870 -0.099 0.000 1.096 342 L CA 0.098 54.872 54.840 -0.111 0.000 0.779 342 L CB -0.287 41.697 42.059 -0.124 0.000 0.922 342 L HN 0.078 nan 8.230 nan 0.000 0.443 343 V N -0.270 119.554 119.914 -0.151 0.000 2.295 343 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 343 V C 2.268 178.401 176.094 0.065 0.000 1.049 343 V CA 1.939 64.185 62.300 -0.091 0.000 1.024 343 V CB -0.518 31.213 31.823 -0.153 0.000 0.648 343 V HN 0.291 nan 8.190 nan 0.000 0.447 344 F N 0.342 120.285 119.950 -0.013 0.000 2.126 344 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 344 F C 2.536 178.339 175.800 0.004 0.000 1.096 344 F CA 0.899 58.898 58.000 -0.002 0.000 1.255 344 F CB -0.464 38.536 39.000 -0.000 0.000 0.997 344 F HN 0.187 nan 8.300 nan 0.000 0.479 345 A N 0.446 123.377 122.820 0.185 0.000 1.933 345 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 345 A C 2.369 180.003 177.584 0.084 0.000 1.175 345 A CA 1.698 53.798 52.037 0.106 0.000 0.628 345 A CB -1.502 17.532 19.000 0.057 0.000 0.814 345 A HN 0.408 nan 8.150 nan 0.000 0.444 346 G N -0.949 107.885 108.800 0.057 0.000 2.559 346 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 346 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 346 G C 1.233 176.183 174.900 0.084 0.000 1.126 346 G CA 0.826 45.956 45.100 0.050 0.000 0.778 346 G HN 0.678 nan 8.290 nan 0.000 0.543 347 E N -0.488 119.776 120.200 0.107 0.000 2.415 347 E HA 0.034 4.383 4.350 -0.000 0.000 0.197 347 E C 0.822 177.477 176.600 0.090 0.000 1.007 347 E CA 0.211 56.673 56.400 0.102 0.000 0.890 347 E CB 0.501 30.275 29.700 0.122 0.000 0.891 347 E HN 0.309 nan 8.360 nan 0.000 0.496 348 T N 1.134 115.746 114.554 0.097 0.000 2.832 348 T HA 0.312 4.662 4.350 -0.000 0.000 0.313 348 T C -2.642 172.130 174.700 0.121 0.000 1.035 348 T CA -2.690 59.465 62.100 0.092 0.000 0.950 348 T CB 1.086 69.998 68.868 0.074 0.000 0.984 348 T HN -0.286 nan 8.240 nan 0.000 0.486 352 R N 1.224 121.853 120.500 0.216 0.000 2.083 352 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 352 R C 2.168 178.638 176.300 0.284 0.000 1.137 352 R CA 1.752 57.981 56.100 0.215 0.000 0.951 352 R CB -0.139 30.264 30.300 0.171 0.000 0.851 352 R HN 0.208 nan 8.270 nan 0.000 0.434 353 L N 0.128 121.534 121.223 0.304 0.000 2.017 353 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 353 L C 2.046 179.151 176.870 0.391 0.000 1.073 353 L CA 1.768 56.808 54.840 0.333 0.000 0.745 353 L CB -0.672 41.615 42.059 0.380 0.000 0.894 353 L HN 0.225 nan 8.230 nan 0.000 0.432 354 F N -0.420 119.679 119.950 0.248 0.000 2.126 354 F HA -0.285 4.242 4.527 -0.001 0.000 0.299 354 F C 2.705 178.631 175.800 0.209 0.000 1.096 354 F CA 2.130 60.247 58.000 0.194 0.000 1.255 354 F CB -0.450 38.493 39.000 -0.094 0.000 0.997 354 F HN 0.391 nan 8.300 nan 0.000 0.479 355 H N 0.251 119.474 119.070 0.255 0.000 2.389 355 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 355 H C 2.209 177.561 175.328 0.039 0.000 1.081 355 H CA 1.771 57.898 56.048 0.132 0.000 1.345 355 H CB -0.516 29.335 29.762 0.148 0.000 1.393 355 H HN 0.447 nan 8.280 nan 0.000 0.520 356 L N 1.468 122.803 121.223 0.188 0.000 1.989 356 L HA 0.048 4.388 4.340 -0.000 0.000 0.211 356 L C 1.526 178.297 176.870 -0.166 0.000 1.071 356 L CA 1.762 56.670 54.840 0.113 0.000 0.749 356 L CB -1.086 41.093 42.059 0.200 0.000 0.890 356 L HN 0.268 nan 8.230 nan 0.000 0.431 360 Y N 0.846 121.083 120.300 -0.106 0.000 2.200 360 Y HA 0.035 4.585 4.550 -0.000 0.000 0.290 360 Y C 2.019 177.885 175.900 -0.057 0.000 1.137 360 Y CA 1.954 60.022 58.100 -0.053 0.000 1.163 360 Y CB 0.038 38.471 38.460 -0.045 0.000 0.988 360 Y HN 0.253 nan 8.280 nan 0.000 0.518 361 L N -0.858 120.399 121.223 0.056 0.000 2.012 361 L HA -0.274 4.065 4.340 -0.000 0.000 0.210 361 L C 1.860 178.663 176.870 -0.111 0.000 1.073 361 L CA 1.958 56.790 54.840 -0.014 0.000 0.748 361 L CB -0.841 41.202 42.059 -0.026 0.000 0.891 361 L HN 0.273 nan 8.230 nan 0.000 0.431 362 Y N -0.987 119.171 120.300 -0.238 0.000 2.184 362 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 362 Y C 2.545 178.339 175.900 -0.176 0.000 1.129 362 Y CA 1.799 59.734 58.100 -0.274 0.000 1.144 362 Y CB -0.394 37.721 38.460 -0.576 0.000 0.995 362 Y HN 0.363 nan 8.280 nan 0.000 0.513 363 T N -4.556 109.994 114.554 -0.007 0.000 3.023 363 T HA 0.321 4.671 4.350 -0.000 0.000 0.253 363 T C 1.598 176.188 174.700 -0.183 0.000 1.038 363 T CA 0.380 62.447 62.100 -0.055 0.000 0.962 363 T CB 0.186 69.044 68.868 -0.017 0.000 1.018 363 T HN 0.433 nan 8.240 nan 0.000 0.521 364 G N 2.634 111.225 108.800 -0.349 0.000 2.179 364 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.257 364 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.257 364 G C 0.004 174.421 174.900 -0.805 0.000 1.010 364 G CA 0.431 45.165 45.100 -0.610 0.000 0.736 364 G HN 1.054 nan 8.290 nan 0.000 0.513 365 R N -2.247 117.847 120.500 -0.676 0.000 2.710 365 R HA 0.628 4.968 4.340 -0.000 0.000 0.270 365 R C -1.044 175.260 176.300 0.006 0.000 1.021 365 R CA -1.249 54.684 56.100 -0.277 0.000 0.889 365 R CB 1.010 31.243 30.300 -0.111 0.000 1.243 365 R HN 0.390 nan 8.270 nan 0.000 0.464 366 Y N 2.003 122.254 120.300 -0.082 0.000 2.316 366 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 366 Y C -1.330 174.450 175.900 -0.201 0.000 1.083 366 Y CA -0.956 56.975 58.100 -0.280 0.000 1.206 366 Y CB 1.122 38.919 38.460 -1.104 0.000 1.195 366 Y HN 0.573 nan 8.280 nan 0.000 0.497 367 L N 6.153 127.040 121.223 -0.559 0.000 2.446 367 L HA 0.381 4.721 4.340 -0.000 0.000 0.268 367 L C -0.441 176.016 176.870 -0.688 0.000 0.975 367 L CA -0.379 54.111 54.840 -0.583 0.000 0.848 367 L CB 1.594 43.557 42.059 -0.160 0.000 1.225 367 L HN 0.789 nan 8.230 nan 0.000 0.410 368 S N 3.342 118.462 115.700 -0.967 0.000 2.568 368 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 368 S C 1.485 175.960 174.600 -0.209 0.000 1.338 368 S CA -0.469 57.437 58.200 -0.490 0.000 1.045 368 S CB 0.560 63.607 63.200 -0.255 0.000 0.873 368 S HN 0.652 nan 8.310 nan 0.000 0.516 369 L N 0.984 122.109 121.223 -0.164 0.000 2.129 369 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 369 L C 2.609 179.392 176.870 -0.144 0.000 1.087 369 L CA 1.661 56.360 54.840 -0.235 0.000 0.757 369 L CB -0.646 41.268 42.059 -0.242 0.000 0.896 369 L HN 0.717 nan 8.230 nan 0.000 0.434 370 E N -0.213 119.927 120.200 -0.100 0.000 2.077 370 E HA -0.266 4.083 4.350 -0.000 0.000 0.193 370 E C 2.035 178.570 176.600 -0.107 0.000 0.989 370 E CA 1.299 57.649 56.400 -0.082 0.000 0.800 370 E CB -0.082 29.591 29.700 -0.044 0.000 0.746 370 E HN 0.432 nan 8.360 nan 0.000 0.452 371 E N 0.103 120.222 120.200 -0.135 0.000 2.072 371 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 371 E C 1.915 178.405 176.600 -0.184 0.000 0.985 371 E CA 0.966 57.270 56.400 -0.160 0.000 0.801 371 E CB 0.159 29.747 29.700 -0.187 0.000 0.750 371 E HN 0.066 nan 8.360 nan 0.000 0.452 372 V N 1.836 121.670 119.914 -0.133 0.000 2.287 372 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 372 V C 2.545 178.581 176.094 -0.096 0.000 1.053 372 V CA 2.144 64.408 62.300 -0.061 0.000 1.027 372 V CB -0.593 31.258 31.823 0.045 0.000 0.646 372 V HN 0.293 nan 8.190 nan 0.000 0.447 373 K N 0.344 120.680 120.400 -0.108 0.000 2.002 373 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 373 K C 2.259 178.788 176.600 -0.119 0.000 1.048 373 K CA 1.723 57.946 56.287 -0.107 0.000 0.930 373 K CB -0.403 32.032 32.500 -0.108 0.000 0.714 373 K HN 0.398 nan 8.250 nan 0.000 0.438 374 A N 1.614 124.358 122.820 -0.128 0.000 1.917 374 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 374 A C 2.136 179.618 177.584 -0.171 0.000 1.182 374 A CA 2.002 53.961 52.037 -0.131 0.000 0.633 374 A CB -0.575 18.352 19.000 -0.121 0.000 0.819 374 A HN 0.379 nan 8.150 nan 0.000 0.448 375 R N -0.314 120.030 120.500 -0.259 0.000 2.075 375 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 375 R C 1.830 177.974 176.300 -0.261 0.000 1.126 375 R CA 1.887 57.757 56.100 -0.384 0.000 0.963 375 R CB -1.109 28.695 30.300 -0.827 0.000 0.858 375 R HN 0.238 nan 8.270 nan 0.000 0.435 376 V N 1.096 120.918 119.914 -0.154 0.000 2.332 376 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 376 V C 2.224 178.283 176.094 -0.058 0.000 1.055 376 V CA 2.160 64.439 62.300 -0.035 0.000 1.038 376 V CB -0.496 31.323 31.823 -0.008 0.000 0.651 376 V HN 0.462 nan 8.190 nan 0.000 0.450 377 Q N -0.676 119.075 119.800 -0.082 0.000 2.224 377 Q HA -0.141 4.198 4.340 -0.000 0.000 0.203 377 Q C 2.313 178.274 176.000 -0.064 0.000 0.970 377 Q CA 0.979 56.739 55.803 -0.071 0.000 0.865 377 Q CB -0.146 28.547 28.738 -0.076 0.000 0.922 377 Q HN 0.584 nan 8.270 nan 0.000 0.445 378 R N 0.182 120.635 120.500 -0.078 0.000 2.276 378 R HA 0.054 4.393 4.340 -0.000 0.000 0.203 378 R C 0.321 176.594 176.300 -0.046 0.000 1.017 378 R CA -0.013 56.046 56.100 -0.068 0.000 1.010 378 R CB 0.122 30.367 30.300 -0.091 0.000 0.900 378 R HN 0.019 nan 8.270 nan 0.000 0.469 379 V N 2.629 122.522 119.914 -0.035 0.000 2.617 379 V HA -0.058 4.062 4.120 -0.000 0.000 0.304 379 V C 0.883 176.972 176.094 -0.009 0.000 1.040 379 V CA 0.562 62.859 62.300 -0.006 0.000 1.149 379 V CB 0.917 32.751 31.823 0.017 0.000 0.914 379 V HN 0.340 nan 8.190 nan 0.000 0.487 380 T N 0.732 115.285 114.554 -0.002 0.000 2.940 380 T HA 0.355 4.705 4.350 -0.000 0.000 0.288 380 T C 1.257 175.957 174.700 -0.001 0.000 1.033 380 T CA -0.027 62.070 62.100 -0.005 0.000 1.033 380 T CB 1.682 70.546 68.868 -0.006 0.000 1.079 380 T HN 0.732 nan 8.240 nan 0.000 0.496 381 S N 1.201 116.897 115.700 -0.006 0.000 2.400 381 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 381 S C 2.029 176.628 174.600 -0.002 0.000 1.025 381 S CA 1.083 59.279 58.200 -0.007 0.000 0.993 381 S CB -0.716 62.477 63.200 -0.012 0.000 0.808 381 S HN 0.840 nan 8.310 nan 0.000 0.478 382 R N 1.563 122.063 120.500 0.000 0.000 2.096 382 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 382 R C 2.179 178.488 176.300 0.015 0.000 1.127 382 R CA 1.853 57.956 56.100 0.005 0.000 0.968 382 R CB -0.571 29.732 30.300 0.004 0.000 0.861 382 R HN 0.645 nan 8.270 nan 0.000 0.440 383 E N -0.569 119.643 120.200 0.019 0.000 2.051 383 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 383 E C 1.917 178.542 176.600 0.042 0.000 0.991 383 E CA 1.640 58.061 56.400 0.035 0.000 0.799 383 E CB -0.002 29.720 29.700 0.036 0.000 0.748 383 E HN 0.155 nan 8.360 nan 0.000 0.449 384 V N 2.130 122.061 119.914 0.028 0.000 2.295 384 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 384 V C 1.878 177.981 176.094 0.016 0.000 1.049 384 V CA 1.689 64.001 62.300 0.020 0.000 1.024 384 V CB -0.511 31.313 31.823 0.001 0.000 0.648 384 V HN 0.280 nan 8.190 nan 0.000 0.447 385 N N 0.514 119.219 118.700 0.008 0.000 2.166 385 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 385 N C 1.870 177.394 175.510 0.025 0.000 1.019 385 N CA 1.615 54.668 53.050 0.005 0.000 0.856 385 N CB -0.422 38.063 38.487 -0.003 0.000 0.993 385 N HN 0.506 nan 8.380 nan 0.000 0.426 386 A N 1.256 124.099 122.820 0.038 0.000 1.930 386 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 386 A C 2.346 179.988 177.584 0.096 0.000 1.175 386 A CA 0.694 52.764 52.037 0.055 0.000 0.627 386 A CB -0.693 18.339 19.000 0.054 0.000 0.815 386 A HN 0.258 nan 8.150 nan 0.000 0.443 387 L N -0.474 120.823 121.223 0.123 0.000 2.012 387 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 387 L C 2.474 179.494 176.870 0.250 0.000 1.073 387 L CA 1.459 56.432 54.840 0.222 0.000 0.748 387 L CB -0.257 41.898 42.059 0.161 0.000 0.891 387 L HN 0.425 nan 8.230 nan 0.000 0.431 388 L N -0.569 120.722 121.223 0.114 0.000 2.083 388 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 388 L C 2.343 179.237 176.870 0.041 0.000 1.083 388 L CA 1.373 56.248 54.840 0.058 0.000 0.752 388 L CB -0.535 41.513 42.059 -0.018 0.000 0.899 388 L HN 0.305 nan 8.230 nan 0.000 0.433 389 E N -0.185 120.036 120.200 0.034 0.000 2.333 389 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 389 E C 2.093 178.685 176.600 -0.014 0.000 1.007 389 E CA 0.545 56.949 56.400 0.007 0.000 0.845 389 E CB 0.027 29.733 29.700 0.011 0.000 0.766 389 E HN 0.408 nan 8.360 nan 0.000 0.507 390 R N -0.682 119.814 120.500 -0.007 0.000 2.275 390 R HA 0.038 4.378 4.340 -0.000 0.000 0.199 390 R C 1.164 177.300 176.300 -0.273 0.000 0.989 390 R CA 0.578 56.597 56.100 -0.134 0.000 1.016 390 R CB 0.350 30.565 30.300 -0.142 0.000 0.918 390 R HN 0.227 nan 8.270 nan 0.000 0.473 391 G N 0.110 108.821 108.800 -0.148 0.000 2.132 391 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 391 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 391 G C 0.556 175.400 174.900 -0.093 0.000 0.989 391 G CA -0.065 44.962 45.100 -0.122 0.000 0.676 391 G HN 0.302 nan 8.290 nan 0.000 0.522 392 F N 0.103 120.083 119.950 0.049 0.000 2.147 392 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 392 F C 2.521 178.370 175.800 0.082 0.000 1.084 392 F CA 1.967 60.042 58.000 0.125 0.000 1.268 392 F CB -0.097 39.014 39.000 0.186 0.000 1.009 392 F HN 0.302 nan 8.300 nan 0.000 0.486 393 L N -0.993 120.270 121.223 0.068 0.000 2.640 393 L HA 0.100 4.440 4.340 -0.000 0.000 0.230 393 L C 1.526 178.389 176.870 -0.012 0.000 1.123 393 L CA 0.176 54.914 54.840 -0.169 0.000 0.900 393 L CB -0.320 41.469 42.059 -0.449 0.000 1.146 393 L HN 0.120 nan 8.230 nan 0.000 0.484 394 E N 0.966 121.181 120.200 0.025 0.000 2.347 394 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 394 E C 0.213 176.830 176.600 0.028 0.000 1.008 394 E CA 0.745 57.155 56.400 0.017 0.000 0.852 394 E CB 0.378 30.057 29.700 -0.035 0.000 0.783 394 E HN 0.267 nan 8.360 nan 0.000 0.505 395 K N 0.300 120.702 120.400 0.005 0.000 2.668 395 K HA 0.373 4.693 4.320 -0.000 0.000 0.246 395 K C -0.706 175.842 176.600 -0.087 0.000 0.976 395 K CA -0.328 55.779 56.287 -0.300 0.000 0.902 395 K CB 1.985 33.848 32.500 -1.062 0.000 1.172 395 K HN 0.001 nan 8.250 nan 0.000 0.452 396 G N 1.548 110.469 108.800 0.203 0.000 2.630 396 G HA2 0.588 4.548 3.960 -0.000 0.000 0.296 396 G HA3 0.588 4.548 3.960 -0.000 0.000 0.296 396 G C -1.771 173.213 174.900 0.140 0.000 1.285 396 G CA -0.695 44.362 45.100 -0.071 0.000 0.958 396 G HN 0.367 nan 8.290 nan 0.000 0.479 397 L N 0.697 121.873 121.223 -0.079 0.000 2.276 397 L HA 0.605 4.945 4.340 -0.000 0.000 0.286 397 L C -1.408 175.382 176.870 -0.133 0.000 1.024 397 L CA -0.870 54.019 54.840 0.082 0.000 0.826 397 L CB 0.408 42.592 42.059 0.208 0.000 1.211 397 L HN 0.433 nan 8.230 nan 0.000 0.422 398 Y N 5.019 125.366 120.300 0.078 0.000 2.367 398 Y HA 0.357 4.906 4.550 -0.000 0.000 0.342 398 Y C -0.835 175.151 175.900 0.144 0.000 0.979 398 Y CA -0.098 58.056 58.100 0.091 0.000 1.161 398 Y CB 0.864 39.374 38.460 0.083 0.000 1.155 398 Y HN 0.487 nan 8.280 nan 0.000 0.503 399 Y N 4.157 124.556 120.300 0.166 0.000 2.328 399 Y HA 0.578 5.128 4.550 -0.000 0.000 0.333 399 Y C -1.563 174.438 175.900 0.168 0.000 0.958 399 Y CA -1.139 57.055 58.100 0.157 0.000 1.167 399 Y CB 0.756 39.303 38.460 0.145 0.000 1.151 399 Y HN 0.504 nan 8.280 nan 0.000 0.470 400 L N 6.617 127.830 121.223 -0.017 0.000 2.298 400 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 400 L C -0.810 176.118 176.870 0.097 0.000 1.013 400 L CA -0.561 54.324 54.840 0.075 0.000 0.824 400 L CB 1.511 43.584 42.059 0.023 0.000 1.221 400 L HN 0.347 nan 8.230 nan 0.000 0.418 401 V N 5.452 125.521 119.914 0.259 0.000 2.394 401 V HA 0.571 4.691 4.120 -0.000 0.000 0.282 401 V C 0.016 176.271 176.094 0.269 0.000 1.031 401 V CA -0.396 62.097 62.300 0.321 0.000 0.881 401 V CB 1.495 33.582 31.823 0.439 0.000 0.982 401 V HN 0.519 nan 8.190 nan 0.000 0.451 402 L N 6.128 127.468 121.223 0.195 0.000 2.359 402 L HA 0.636 4.976 4.340 -0.000 0.000 0.256 402 L C -2.629 174.310 176.870 0.117 0.000 1.026 402 L CA -2.064 52.856 54.840 0.133 0.000 0.828 402 L CB 2.368 44.462 42.059 0.058 0.000 1.406 402 L HN 0.364 nan 8.230 nan 0.000 0.413 403 P HA 0.048 nan 4.420 nan 0.000 0.270 403 P C -0.999 176.324 177.300 0.039 0.000 1.223 403 P CA -0.162 62.984 63.100 0.076 0.000 0.785 403 P CB 0.206 31.953 31.700 0.078 0.000 0.923 404 H N 0.337 119.454 119.070 0.077 0.000 3.004 404 H HA 0.270 4.826 4.556 -0.000 0.000 0.316 404 H C 1.597 176.949 175.328 0.040 0.000 1.014 404 H CA 2.105 58.188 56.048 0.058 0.000 1.454 404 H CB -0.223 29.568 29.762 0.047 0.000 1.472 404 H HN 0.748 nan 8.280 nan 0.000 0.571 405 G N 1.918 110.814 108.800 0.161 0.000 2.604 405 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.205 405 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.205 405 G C 0.680 175.614 174.900 0.056 0.000 1.186 405 G CA -0.151 45.005 45.100 0.094 0.000 0.753 405 G HN 0.888 nan 8.290 nan 0.000 0.526 406 A N 0.000 122.848 122.820 0.047 0.000 2.254 406 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 406 A CA 0.000 52.053 52.037 0.027 0.000 0.836 406 A CB 0.000 19.015 19.000 0.025 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486