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 2jag_1_A DATA FIRST_RESID 22 DATA SEQUENCE AVRENALLSS SLWVNVALAG IAILVFVYMG RTIRPGRPRL IWGATLMIPL DATA SEQUENCE VSISSYLGLL SGLTVGMIEM PAGHALAGEM VRSQWGRYLT WALSTPMILL DATA SEQUENCE ALGLLADVDL GSLFTVIAAD IGMCVTGLAA AMTTSALLFR WAFYAISCAF DATA SEQUENCE FVVVLSALVT DWAASASSAG TAEIFDTLRV LVVVLWLGYP IVWAVGVEGL DATA SEQUENCE ALVQSVGATS WAYSVLDVFA KYVFAFILLR WVANNERTVA VA 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.578 177.584 -0.010 0.000 1.274 22 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 22 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 23 V N -0.405 119.508 119.914 -0.002 0.000 3.070 23 V HA 0.273 4.394 4.120 0.000 0.000 0.359 23 V C 0.620 176.720 176.094 0.011 0.000 1.438 23 V CA 0.857 63.160 62.300 0.007 0.000 1.571 23 V CB -1.755 30.072 31.823 0.007 0.000 1.246 23 V HN 0.743 nan 8.190 nan 0.000 0.463 24 R N 1.323 121.829 120.500 0.010 0.000 2.449 24 R HA 0.166 4.506 4.340 0.000 0.000 0.296 24 R C 0.424 176.743 176.300 0.033 0.000 1.047 24 R CA 0.228 56.339 56.100 0.017 0.000 1.018 24 R CB 0.491 30.795 30.300 0.008 0.000 0.962 24 R HN 0.687 nan 8.270 nan 0.000 0.428 25 E N 2.210 122.431 120.200 0.035 0.000 2.630 25 E HA 0.017 4.367 4.350 0.000 0.000 0.218 25 E C -0.515 176.115 176.600 0.050 0.000 0.977 25 E CA -0.213 56.212 56.400 0.041 0.000 1.038 25 E CB 0.462 30.181 29.700 0.032 0.000 1.051 25 E HN 0.491 nan 8.360 nan 0.000 0.487 26 N N 1.258 119.989 118.700 0.052 0.000 2.405 26 N HA 0.072 4.812 4.740 0.000 0.000 0.260 26 N C 0.576 176.139 175.510 0.090 0.000 1.152 26 N CA 0.137 53.226 53.050 0.065 0.000 0.948 26 N CB 1.326 39.849 38.487 0.059 0.000 1.111 26 N HN 0.075 nan 8.380 nan 0.000 0.485 27 A N 4.348 127.228 122.820 0.100 0.000 1.930 27 A HA -0.143 4.177 4.320 0.000 0.000 0.217 27 A C 1.949 179.647 177.584 0.190 0.000 1.175 27 A CA 0.701 52.816 52.037 0.130 0.000 0.627 27 A CB -0.341 18.724 19.000 0.108 0.000 0.815 27 A HN 0.658 nan 8.150 nan 0.000 0.443 28 L N -0.751 120.589 121.223 0.195 0.000 2.012 28 L HA -0.138 4.202 4.340 0.000 0.000 0.210 28 L C 2.254 179.319 176.870 0.324 0.000 1.073 28 L CA 2.068 57.095 54.840 0.312 0.000 0.748 28 L CB -0.595 41.601 42.059 0.228 0.000 0.891 28 L HN 0.355 nan 8.230 nan 0.000 0.431 29 L N -1.211 120.111 121.223 0.165 0.000 2.005 29 L HA -0.141 4.200 4.340 0.000 0.000 0.207 29 L C 2.527 179.396 176.870 -0.001 0.000 1.072 29 L CA 2.042 56.917 54.840 0.059 0.000 0.744 29 L CB -0.874 41.207 42.059 0.037 0.000 0.895 29 L HN 0.293 nan 8.230 nan 0.000 0.433 30 S N -0.425 115.312 115.700 0.062 0.000 2.359 30 S HA -0.214 4.256 4.470 0.000 0.000 0.224 30 S C 2.071 176.749 174.600 0.129 0.000 1.035 30 S CA 1.581 59.834 58.200 0.089 0.000 1.018 30 S CB -0.643 62.672 63.200 0.191 0.000 0.876 30 S HN 0.775 nan 8.310 nan 0.000 0.448 31 S N 2.201 118.011 115.700 0.183 0.000 2.399 31 S HA -0.124 4.346 4.470 0.000 0.000 0.231 31 S C 1.969 176.497 174.600 -0.119 0.000 1.022 31 S CA 1.356 59.688 58.200 0.221 0.000 0.983 31 S CB -0.787 62.665 63.200 0.420 0.000 0.803 31 S HN 0.629 nan 8.310 nan 0.000 0.480 32 S N 1.759 117.115 115.700 -0.574 0.000 2.474 32 S HA 0.101 4.572 4.470 0.000 0.000 0.235 32 S C 1.710 175.924 174.600 -0.643 0.000 0.997 32 S CA 0.839 58.195 58.200 -1.407 0.000 0.949 32 S CB -0.692 61.605 63.200 -1.505 0.000 0.766 32 S HN 0.591 nan 8.310 nan 0.000 0.517 33 L N -1.768 119.251 121.223 -0.340 0.000 2.269 33 L HA 0.292 4.632 4.340 0.000 0.000 0.200 33 L C 2.477 179.166 176.870 -0.301 0.000 1.069 33 L CA 0.473 55.179 54.840 -0.224 0.000 0.804 33 L CB -0.640 41.271 42.059 -0.246 0.000 0.987 33 L HN 0.303 nan 8.230 nan 0.000 0.468 34 W N -0.051 121.155 121.300 -0.157 0.000 2.363 34 W HA -0.171 4.489 4.660 0.000 0.000 0.296 34 W C 2.559 178.973 176.519 -0.174 0.000 1.212 34 W CA 0.835 58.101 57.345 -0.132 0.000 1.260 34 W CB -0.284 29.133 29.460 -0.073 0.000 1.131 34 W HN -0.085 nan 8.180 nan 0.000 0.530 35 V N 1.472 121.403 119.914 0.027 0.000 2.332 35 V HA -0.325 3.795 4.120 0.000 0.000 0.248 35 V C 1.788 177.801 176.094 -0.134 0.000 1.055 35 V CA 2.413 64.700 62.300 -0.021 0.000 1.038 35 V CB -0.463 31.355 31.823 -0.008 0.000 0.651 35 V HN 0.161 nan 8.190 nan 0.000 0.450 36 N N -0.513 117.977 118.700 -0.351 0.000 2.446 36 N HA -0.000 4.740 4.740 0.000 0.000 0.179 36 N C 1.523 176.790 175.510 -0.405 0.000 1.054 36 N CA 1.210 53.983 53.050 -0.461 0.000 0.905 36 N CB 0.162 38.069 38.487 -0.966 0.000 0.973 36 N HN 0.442 nan 8.380 nan 0.000 0.448 37 V N 0.983 120.722 119.914 -0.293 0.000 2.358 37 V HA -0.133 3.987 4.120 0.000 0.000 0.246 37 V C 2.305 178.348 176.094 -0.085 0.000 1.047 37 V CA 1.747 63.977 62.300 -0.118 0.000 1.035 37 V CB -0.704 31.138 31.823 0.032 0.000 0.658 37 V HN 0.253 nan 8.190 nan 0.000 0.452 38 A N -0.212 122.573 122.820 -0.058 0.000 1.873 38 A HA -0.112 4.208 4.320 0.000 0.000 0.215 38 A C 2.188 179.673 177.584 -0.164 0.000 1.186 38 A CA 1.608 53.601 52.037 -0.073 0.000 0.616 38 A CB -0.518 18.461 19.000 -0.035 0.000 0.823 38 A HN 0.474 nan 8.150 nan 0.000 0.442 39 L N -0.735 120.362 121.223 -0.211 0.000 2.046 39 L HA -0.187 4.153 4.340 0.000 0.000 0.208 39 L C 3.088 179.587 176.870 -0.619 0.000 1.077 39 L CA 1.067 55.708 54.840 -0.332 0.000 0.747 39 L CB -0.594 41.322 42.059 -0.237 0.000 0.896 39 L HN 0.446 nan 8.230 nan 0.000 0.432 40 A N 0.359 122.780 122.820 -0.664 0.000 1.933 40 A HA -0.108 4.212 4.320 0.000 0.000 0.218 40 A C 2.404 179.762 177.584 -0.377 0.000 1.175 40 A CA 1.675 53.297 52.037 -0.691 0.000 0.628 40 A CB -1.161 17.680 19.000 -0.266 0.000 0.814 40 A HN 0.441 nan 8.150 nan 0.000 0.444 41 G N 0.010 108.661 108.800 -0.248 0.000 2.418 41 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 41 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 41 G C 1.512 176.295 174.900 -0.195 0.000 1.158 41 G CA 1.077 46.079 45.100 -0.164 0.000 0.771 41 G HN 0.477 nan 8.290 nan 0.000 0.545 42 I N 1.331 121.760 120.570 -0.236 0.000 2.286 42 I HA -0.162 4.008 4.170 0.000 0.000 0.248 42 I C 3.293 179.218 176.117 -0.321 0.000 1.115 42 I CA 0.843 62.006 61.300 -0.229 0.000 1.392 42 I CB -0.247 37.625 38.000 -0.213 0.000 1.065 42 I HN 0.250 nan 8.210 nan 0.000 0.418 43 A N 1.413 123.948 122.820 -0.474 0.000 1.883 43 A HA -0.205 4.115 4.320 0.000 0.000 0.217 43 A C 2.294 179.378 177.584 -0.834 0.000 1.186 43 A CA 1.603 53.173 52.037 -0.778 0.000 0.624 43 A CB -0.876 17.662 19.000 -0.770 0.000 0.822 43 A HN 0.364 nan 8.150 nan 0.000 0.444 44 I N -0.173 120.157 120.570 -0.399 0.000 2.151 44 I HA -0.308 3.862 4.170 0.000 0.000 0.243 44 I C 2.420 178.511 176.117 -0.043 0.000 1.080 44 I CA 1.378 62.595 61.300 -0.139 0.000 1.339 44 I CB -0.401 37.565 38.000 -0.058 0.000 1.039 44 I HN 0.324 nan 8.210 nan 0.000 0.409 45 L N -0.260 120.919 121.223 -0.074 0.000 2.017 45 L HA -0.184 4.156 4.340 0.000 0.000 0.208 45 L C 2.631 179.557 176.870 0.094 0.000 1.073 45 L CA 1.023 55.872 54.840 0.015 0.000 0.745 45 L CB -0.752 41.286 42.059 -0.035 0.000 0.894 45 L HN 0.094 nan 8.230 nan 0.000 0.432 46 V N -0.268 119.646 119.914 0.000 0.000 2.332 46 V HA -0.285 3.835 4.120 0.000 0.000 0.248 46 V C 2.412 178.772 176.094 0.444 0.000 1.055 46 V CA 1.833 64.229 62.300 0.159 0.000 1.038 46 V CB -0.624 31.211 31.823 0.020 0.000 0.651 46 V HN 0.202 nan 8.190 nan 0.000 0.450 47 F N -0.172 119.954 119.950 0.292 0.000 2.113 47 F HA -0.082 4.445 4.527 0.000 0.000 0.297 47 F C 2.418 178.528 175.800 0.517 0.000 1.103 47 F CA 0.686 58.903 58.000 0.361 0.000 1.248 47 F CB -1.554 37.595 39.000 0.249 0.000 0.999 47 F HN -0.036 nan 8.300 nan 0.000 0.475 48 V N -0.454 119.818 119.914 0.597 0.000 2.332 48 V HA -0.340 3.780 4.120 0.000 0.000 0.248 48 V C 2.212 178.634 176.094 0.546 0.000 1.055 48 V CA 2.035 64.716 62.300 0.634 0.000 1.038 48 V CB -0.973 31.077 31.823 0.378 0.000 0.651 48 V HN 0.372 nan 8.190 nan 0.000 0.450 49 Y N 0.358 120.832 120.300 0.291 0.000 2.145 49 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 49 Y C 2.444 178.429 175.900 0.143 0.000 1.145 49 Y CA 1.893 60.099 58.100 0.177 0.000 1.148 49 Y CB -0.378 38.167 38.460 0.141 0.000 0.981 49 Y HN 0.177 nan 8.280 nan 0.000 0.507 50 M N -0.529 119.153 119.600 0.137 0.000 2.267 50 M HA -0.138 4.342 4.480 0.000 0.000 0.263 50 M C 1.966 178.144 176.300 -0.202 0.000 1.063 50 M CA 1.612 56.890 55.300 -0.037 0.000 1.090 50 M CB -0.531 32.202 32.600 0.222 0.000 1.392 50 M HN 0.449 nan 8.290 nan 0.000 0.422 51 G N 0.275 108.934 108.800 -0.234 0.000 3.088 51 G HA2 -0.024 3.936 3.960 0.000 0.000 0.212 51 G HA3 -0.024 3.936 3.960 0.000 0.000 0.212 51 G C 1.350 175.760 174.900 -0.816 0.000 1.173 51 G CA -0.214 44.276 45.100 -1.016 0.000 0.779 51 G HN 0.522 nan 8.290 nan 0.000 0.540 52 R N 0.621 120.861 120.500 -0.432 0.000 2.112 52 R HA -0.130 4.211 4.340 0.000 0.000 0.242 52 R C 1.232 177.351 176.300 -0.301 0.000 1.137 52 R CA 1.919 57.839 56.100 -0.300 0.000 0.944 52 R CB -1.390 28.759 30.300 -0.252 0.000 0.857 52 R HN 0.257 nan 8.270 nan 0.000 0.435 53 T N -0.780 113.589 114.554 -0.308 0.000 3.255 53 T HA 0.446 4.796 4.350 0.000 0.000 0.243 53 T C -0.007 174.537 174.700 -0.260 0.000 1.057 53 T CA -0.789 61.167 62.100 -0.241 0.000 1.121 53 T CB 0.115 68.872 68.868 -0.185 0.000 1.104 53 T HN 0.026 nan 8.240 nan 0.000 0.571 54 I N 3.558 123.923 120.570 -0.342 0.000 2.331 54 I HA 0.347 4.517 4.170 0.000 0.000 0.292 54 I C 0.958 176.952 176.117 -0.204 0.000 0.998 54 I CA -0.917 60.200 61.300 -0.306 0.000 1.267 54 I CB 1.134 38.862 38.000 -0.453 0.000 1.386 54 I HN 0.557 nan 8.210 nan 0.000 0.476 55 R N 7.848 128.264 120.500 -0.140 0.000 2.643 55 R HA 0.384 4.724 4.340 0.000 0.000 0.270 55 R C -2.494 173.769 176.300 -0.062 0.000 1.061 55 R CA -1.232 54.812 56.100 -0.093 0.000 1.107 55 R CB -0.337 29.917 30.300 -0.077 0.000 0.999 55 R HN 0.328 nan 8.270 nan 0.000 0.460 56 P HA 0.097 nan 4.420 nan 0.000 0.271 56 P C 0.455 177.753 177.300 -0.003 0.000 1.233 56 P CA 0.678 63.772 63.100 -0.010 0.000 0.789 56 P CB 0.634 32.330 31.700 -0.007 0.000 0.951 57 G N 1.209 110.017 108.800 0.014 0.000 2.445 57 G HA2 -0.209 3.751 3.960 0.000 0.000 0.212 57 G HA3 -0.209 3.751 3.960 0.000 0.000 0.212 57 G C 1.014 175.929 174.900 0.024 0.000 1.217 57 G CA -0.211 44.896 45.100 0.012 0.000 1.002 57 G HN 0.423 nan 8.290 nan 0.000 0.574 58 R N 1.235 121.745 120.500 0.017 0.000 2.094 58 R HA -0.097 4.243 4.340 0.000 0.000 0.239 58 R C 0.088 176.416 176.300 0.048 0.000 1.137 58 R CA 2.446 58.563 56.100 0.027 0.000 0.943 58 R CB -1.792 28.520 30.300 0.020 0.000 0.850 58 R HN 0.406 nan 8.270 nan 0.000 0.433 59 P HA -0.171 nan 4.420 nan 0.000 0.212 59 P C 1.375 178.730 177.300 0.092 0.000 1.178 59 P CA 1.338 64.463 63.100 0.043 0.000 0.915 59 P CB -0.259 31.432 31.700 -0.014 0.000 0.788 60 R N -0.523 120.024 120.500 0.079 0.000 2.117 60 R HA -0.195 4.145 4.340 0.000 0.000 0.243 60 R C 2.124 178.583 176.300 0.266 0.000 1.143 60 R CA 1.465 57.669 56.100 0.174 0.000 0.968 60 R CB -1.074 29.294 30.300 0.113 0.000 0.863 60 R HN 0.072 nan 8.270 nan 0.000 0.444 61 L N 1.083 122.399 121.223 0.155 0.000 1.994 61 L HA -0.112 4.228 4.340 0.000 0.000 0.208 61 L C 2.133 179.078 176.870 0.124 0.000 1.071 61 L CA 1.695 56.607 54.840 0.120 0.000 0.745 61 L CB -0.393 41.708 42.059 0.069 0.000 0.892 61 L HN 0.237 nan 8.230 nan 0.000 0.431 62 I N -1.787 118.858 120.570 0.125 0.000 2.335 62 I HA -0.328 3.842 4.170 0.000 0.000 0.251 62 I C 2.233 178.441 176.117 0.152 0.000 1.129 62 I CA 1.465 62.835 61.300 0.117 0.000 1.402 62 I CB -0.503 37.563 38.000 0.109 0.000 1.069 62 I HN 0.545 nan 8.210 nan 0.000 0.424 63 W N 1.977 123.277 121.300 0.001 0.000 2.363 63 W HA -0.095 4.565 4.660 -0.000 0.000 0.296 63 W C 2.322 178.854 176.519 0.023 0.000 1.212 63 W CA 1.531 58.872 57.345 -0.007 0.000 1.260 63 W CB -0.736 28.723 29.460 -0.002 0.000 1.131 63 W HN 0.038 nan 8.180 nan 0.000 0.530 64 G N 0.272 109.055 108.800 -0.027 0.000 2.404 64 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 64 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 64 G C 1.660 176.481 174.900 -0.132 0.000 1.174 64 G CA 1.565 46.544 45.100 -0.203 0.000 0.780 64 G HN 0.439 nan 8.290 nan 0.000 0.537 65 A N 0.220 123.026 122.820 -0.025 0.000 1.978 65 A HA -0.022 4.298 4.320 0.000 0.000 0.220 65 A C 2.501 180.101 177.584 0.027 0.000 1.170 65 A CA 2.460 54.509 52.037 0.020 0.000 0.636 65 A CB -0.800 18.237 19.000 0.063 0.000 0.810 65 A HN 0.314 nan 8.150 nan 0.000 0.448 66 T N 0.301 114.846 114.554 -0.016 0.000 2.857 66 T HA -0.001 4.349 4.350 0.000 0.000 0.266 66 T C 1.750 176.446 174.700 -0.005 0.000 1.048 66 T CA 1.245 63.330 62.100 -0.025 0.000 1.139 66 T CB -0.321 68.465 68.868 -0.136 0.000 0.874 66 T HN 0.386 nan 8.240 nan 0.000 0.455 67 L N 0.562 121.717 121.223 -0.113 0.000 2.131 67 L HA -0.041 4.299 4.340 0.000 0.000 0.210 67 L C 2.663 179.565 176.870 0.054 0.000 1.092 67 L CA 0.785 55.612 54.840 -0.022 0.000 0.759 67 L CB -0.583 41.304 42.059 -0.287 0.000 0.903 67 L HN 0.262 nan 8.230 nan 0.000 0.435 68 M N -0.568 119.044 119.600 0.020 0.000 2.279 68 M HA -0.164 4.316 4.480 0.000 0.000 0.264 68 M C 2.300 178.665 176.300 0.109 0.000 1.062 68 M CA 1.654 56.984 55.300 0.049 0.000 1.099 68 M CB -0.629 31.992 32.600 0.034 0.000 1.394 68 M HN 0.265 nan 8.290 nan 0.000 0.426 69 I N 0.889 121.558 120.570 0.164 0.000 2.113 69 I HA -0.238 3.932 4.170 0.000 0.000 0.238 69 I C -0.387 175.891 176.117 0.267 0.000 1.070 69 I CA 1.672 63.102 61.300 0.216 0.000 1.332 69 I CB -1.954 36.215 38.000 0.282 0.000 1.044 69 I HN 0.154 nan 8.210 nan 0.000 0.402 70 P HA -0.105 nan 4.420 nan 0.000 0.222 70 P C 1.971 179.376 177.300 0.175 0.000 1.153 70 P CA 1.350 64.636 63.100 0.310 0.000 0.798 70 P CB 0.065 31.899 31.700 0.224 0.000 0.796 71 L N -0.597 120.703 121.223 0.128 0.000 2.027 71 L HA -0.121 4.219 4.340 0.000 0.000 0.206 71 L C 2.726 179.640 176.870 0.074 0.000 1.074 71 L CA 1.278 56.163 54.840 0.075 0.000 0.745 71 L CB -0.996 41.092 42.059 0.048 0.000 0.898 71 L HN -0.173 nan 8.230 nan 0.000 0.433 72 V N -1.254 118.712 119.914 0.085 0.000 2.358 72 V HA -0.292 3.828 4.120 0.000 0.000 0.246 72 V C 2.668 178.810 176.094 0.079 0.000 1.047 72 V CA 1.944 64.281 62.300 0.062 0.000 1.035 72 V CB -0.358 31.501 31.823 0.061 0.000 0.658 72 V HN 0.450 nan 8.190 nan 0.000 0.452 73 S N -0.331 115.463 115.700 0.156 0.000 2.359 73 S HA -0.193 4.277 4.470 0.000 0.000 0.224 73 S C 1.951 176.711 174.600 0.267 0.000 1.035 73 S CA 1.870 60.215 58.200 0.242 0.000 1.018 73 S CB -0.376 63.074 63.200 0.416 0.000 0.876 73 S HN 0.506 nan 8.310 nan 0.000 0.448 74 I N 1.053 121.735 120.570 0.187 0.000 2.208 74 I HA -0.168 4.002 4.170 0.000 0.000 0.245 74 I C 2.523 178.681 176.117 0.068 0.000 1.097 74 I CA 1.289 62.666 61.300 0.127 0.000 1.363 74 I CB -0.493 37.538 38.000 0.052 0.000 1.051 74 I HN 0.310 nan 8.210 nan 0.000 0.413 75 S N 0.021 115.737 115.700 0.026 0.000 2.370 75 S HA -0.222 4.248 4.470 0.000 0.000 0.226 75 S C 2.150 176.693 174.600 -0.096 0.000 1.033 75 S CA 1.801 59.982 58.200 -0.033 0.000 1.011 75 S CB -0.335 62.845 63.200 -0.033 0.000 0.852 75 S HN 0.476 nan 8.310 nan 0.000 0.457 76 S N 0.155 115.787 115.700 -0.114 0.000 2.356 76 S HA -0.107 4.363 4.470 0.000 0.000 0.223 76 S C 1.684 176.056 174.600 -0.381 0.000 1.032 76 S CA 1.057 59.087 58.200 -0.283 0.000 1.005 76 S CB -0.472 62.523 63.200 -0.342 0.000 0.867 76 S HN 0.574 nan 8.310 nan 0.000 0.449 77 Y N 1.539 121.725 120.300 -0.190 0.000 2.352 77 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 77 Y C 2.074 177.790 175.900 -0.306 0.000 1.136 77 Y CA 0.801 58.753 58.100 -0.247 0.000 1.227 77 Y CB -0.223 38.117 38.460 -0.200 0.000 0.991 77 Y HN 0.241 nan 8.280 nan 0.000 0.545 78 L N -1.406 119.740 121.223 -0.129 0.000 2.072 78 L HA -0.118 4.222 4.340 0.000 0.000 0.205 78 L C 2.665 179.400 176.870 -0.224 0.000 1.079 78 L CA 1.190 55.923 54.840 -0.179 0.000 0.752 78 L CB -1.044 40.948 42.059 -0.111 0.000 0.906 78 L HN 0.288 nan 8.230 nan 0.000 0.436 79 G N 0.278 108.928 108.800 -0.250 0.000 2.440 79 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 79 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 79 G C 1.616 176.294 174.900 -0.369 0.000 1.154 79 G CA 0.614 45.530 45.100 -0.307 0.000 0.767 79 G HN 0.215 nan 8.290 nan 0.000 0.552 80 L N -0.306 120.674 121.223 -0.404 0.000 2.044 80 L HA 0.072 4.412 4.340 0.000 0.000 0.205 80 L C 2.895 179.569 176.870 -0.326 0.000 1.075 80 L CA 0.434 55.030 54.840 -0.407 0.000 0.747 80 L CB -0.464 41.336 42.059 -0.431 0.000 0.903 80 L HN 0.147 nan 8.230 nan 0.000 0.435 81 L N -0.101 120.918 121.223 -0.340 0.000 2.083 81 L HA -0.205 4.135 4.340 0.000 0.000 0.209 81 L C 2.816 179.537 176.870 -0.248 0.000 1.083 81 L CA 1.654 56.272 54.840 -0.371 0.000 0.752 81 L CB -0.429 41.259 42.059 -0.618 0.000 0.899 81 L HN 0.415 nan 8.230 nan 0.000 0.433 82 S N -1.099 114.470 115.700 -0.218 0.000 2.489 82 S HA 0.039 4.509 4.470 0.000 0.000 0.228 82 S C 1.645 176.165 174.600 -0.133 0.000 0.995 82 S CA 0.601 58.715 58.200 -0.144 0.000 0.934 82 S CB 0.279 63.402 63.200 -0.129 0.000 0.771 82 S HN 0.573 nan 8.310 nan 0.000 0.522 83 G N 0.809 109.502 108.800 -0.178 0.000 2.199 83 G HA2 -0.291 3.669 3.960 0.000 0.000 0.254 83 G HA3 -0.291 3.669 3.960 0.000 0.000 0.254 83 G C 0.563 175.361 174.900 -0.170 0.000 0.982 83 G CA 0.396 45.401 45.100 -0.159 0.000 0.632 83 G HN 0.644 nan 8.290 nan 0.000 0.529 84 L N 1.770 122.882 121.223 -0.186 0.000 2.042 84 L HA 0.143 4.483 4.340 0.000 0.000 0.210 84 L C 2.493 179.193 176.870 -0.284 0.000 1.076 84 L CA 3.347 58.087 54.840 -0.166 0.000 0.749 84 L CB -0.366 41.599 42.059 -0.157 0.000 0.893 84 L HN 0.711 nan 8.230 nan 0.000 0.432 85 T N -3.157 111.048 114.554 -0.583 0.000 3.275 85 T HA 0.476 4.826 4.350 0.000 0.000 0.265 85 T C -0.114 173.687 174.700 -1.499 0.000 0.978 85 T CA -0.429 60.864 62.100 -1.344 0.000 0.923 85 T CB -0.507 67.546 68.868 -1.359 0.000 1.126 85 T HN -0.037 nan 8.240 nan 0.000 0.538 86 V N 0.310 119.796 119.914 -0.712 0.000 2.735 86 V HA 0.932 5.052 4.120 0.000 0.000 0.310 86 V C 0.428 176.518 176.094 -0.007 0.000 1.061 86 V CA -0.574 61.480 62.300 -0.410 0.000 0.913 86 V CB 1.836 33.494 31.823 -0.275 0.000 1.005 86 V HN 0.694 nan 8.190 nan 0.000 0.428 87 G N 2.990 111.888 108.800 0.163 0.000 2.684 87 G HA2 0.652 4.612 3.960 0.000 0.000 0.290 87 G HA3 0.652 4.612 3.960 0.000 0.000 0.290 87 G C -1.500 173.466 174.900 0.109 0.000 1.425 87 G CA -0.847 44.374 45.100 0.202 0.000 0.822 87 G HN 0.340 nan 8.290 nan 0.000 0.482 88 M N 1.188 120.826 119.600 0.063 0.000 2.157 88 M HA 0.471 4.951 4.480 0.000 0.000 0.354 88 M C -0.779 175.532 176.300 0.018 0.000 1.170 88 M CA -0.791 54.527 55.300 0.030 0.000 1.060 88 M CB 1.017 33.626 32.600 0.015 0.000 1.615 88 M HN 0.210 nan 8.290 nan 0.000 0.460 89 I N 2.001 122.575 120.570 0.006 0.000 2.436 89 I HA 0.336 4.506 4.170 0.000 0.000 0.289 89 I C 0.171 176.267 176.117 -0.035 0.000 1.010 89 I CA -0.600 60.692 61.300 -0.013 0.000 1.098 89 I CB 1.697 39.692 38.000 -0.007 0.000 1.266 89 I HN 0.686 nan 8.210 nan 0.000 0.434 90 E N 6.390 126.571 120.200 -0.032 0.000 2.229 90 E HA 0.273 4.623 4.350 0.000 0.000 0.283 90 E C -0.665 175.898 176.600 -0.062 0.000 1.030 90 E CA -0.702 55.675 56.400 -0.038 0.000 0.836 90 E CB 0.874 30.564 29.700 -0.017 0.000 1.068 90 E HN 0.331 nan 8.360 nan 0.000 0.401 91 M N 6.133 125.667 119.600 -0.110 0.000 2.233 91 M HA 0.248 4.728 4.480 0.000 0.000 0.350 91 M C -2.027 174.246 176.300 -0.046 0.000 1.176 91 M CA -2.303 52.889 55.300 -0.181 0.000 1.150 91 M CB 0.364 32.705 32.600 -0.432 0.000 1.530 91 M HN 0.441 nan 8.290 nan 0.000 0.459 92 P HA 0.261 nan 4.420 nan 0.000 0.276 92 P C -0.867 176.495 177.300 0.104 0.000 1.261 92 P CA -0.514 62.628 63.100 0.070 0.000 0.800 92 P CB 0.418 32.179 31.700 0.101 0.000 1.066 93 A N 0.231 123.103 122.820 0.088 0.000 2.565 93 A HA 0.386 4.706 4.320 0.000 0.000 0.237 93 A C 1.449 179.096 177.584 0.104 0.000 1.053 93 A CA 1.082 53.169 52.037 0.084 0.000 0.755 93 A CB -1.587 17.449 19.000 0.060 0.000 0.980 93 A HN 0.897 nan 8.150 nan 0.000 0.506 94 G N 0.321 109.181 108.800 0.099 0.000 2.308 94 G HA2 -0.223 3.737 3.960 0.000 0.000 0.221 94 G HA3 -0.223 3.737 3.960 0.000 0.000 0.221 94 G C 0.463 175.433 174.900 0.116 0.000 1.032 94 G CA 0.364 45.519 45.100 0.092 0.000 0.623 94 G HN 1.301 nan 8.290 nan 0.000 0.506 95 H N 1.669 120.785 119.070 0.076 0.000 2.790 95 H HA 0.479 5.035 4.556 0.000 0.000 0.358 95 H C 1.853 177.212 175.328 0.052 0.000 1.103 95 H CA 0.774 56.872 56.048 0.083 0.000 1.426 95 H CB 1.312 31.117 29.762 0.072 0.000 1.424 95 H HN 0.422 nan 8.280 nan 0.000 0.599 96 A N 5.020 127.709 122.820 -0.218 0.000 2.076 96 A HA -0.106 4.214 4.320 0.000 0.000 0.220 96 A C 1.854 179.513 177.584 0.125 0.000 1.160 96 A CA 1.188 53.196 52.037 -0.048 0.000 0.653 96 A CB -0.185 18.739 19.000 -0.127 0.000 0.801 96 A HN 0.679 nan 8.150 nan 0.000 0.455 97 L N -0.550 120.910 121.223 0.394 0.000 3.141 97 L HA 0.351 4.691 4.340 0.000 0.000 0.267 97 L C 0.728 177.695 176.870 0.162 0.000 1.281 97 L CA -0.491 54.495 54.840 0.244 0.000 1.037 97 L CB -0.020 42.161 42.059 0.203 0.000 1.407 97 L HN 0.291 nan 8.230 nan 0.000 0.566 98 A N 0.300 123.227 122.820 0.178 0.000 2.584 98 A HA 0.342 4.662 4.320 0.000 0.000 0.239 98 A C 1.514 179.131 177.584 0.056 0.000 1.043 98 A CA 1.136 53.237 52.037 0.107 0.000 0.756 98 A CB -0.194 18.872 19.000 0.108 0.000 0.963 98 A HN 0.792 nan 8.150 nan 0.000 0.511 99 G N 1.748 110.566 108.800 0.030 0.000 2.199 99 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 99 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 99 G C 0.052 174.958 174.900 0.011 0.000 0.982 99 G CA 0.665 45.777 45.100 0.020 0.000 0.632 99 G HN 0.901 nan 8.290 nan 0.000 0.529 100 E N 0.089 120.293 120.200 0.006 0.000 2.232 100 E HA 0.678 5.028 4.350 0.000 0.000 0.265 100 E C 0.214 176.803 176.600 -0.018 0.000 1.001 100 E CA -0.966 55.435 56.400 0.001 0.000 0.870 100 E CB 0.757 30.464 29.700 0.012 0.000 1.175 100 E HN 0.097 nan 8.360 nan 0.000 0.407 101 M N 2.200 121.793 119.600 -0.012 0.000 2.157 101 M HA 0.274 4.754 4.480 0.000 0.000 0.354 101 M C -0.440 175.850 176.300 -0.016 0.000 1.170 101 M CA -0.809 54.481 55.300 -0.016 0.000 1.060 101 M CB 0.739 33.335 32.600 -0.006 0.000 1.615 101 M HN 0.378 nan 8.290 nan 0.000 0.460 102 V N 1.778 121.676 119.914 -0.027 0.000 2.769 102 V HA 0.641 4.761 4.120 0.000 0.000 0.312 102 V C -0.085 176.007 176.094 -0.005 0.000 1.061 102 V CA -1.184 61.104 62.300 -0.020 0.000 0.931 102 V CB 2.032 33.829 31.823 -0.043 0.000 1.010 102 V HN 0.959 nan 8.190 nan 0.000 0.433 103 R N 2.790 123.290 120.500 0.001 0.000 2.351 103 R HA 0.392 4.732 4.340 0.000 0.000 0.318 103 R C -0.099 176.208 176.300 0.010 0.000 1.055 103 R CA 0.331 56.432 56.100 0.003 0.000 0.968 103 R CB 0.584 30.879 30.300 -0.008 0.000 0.974 103 R HN 0.981 nan 8.270 nan 0.000 0.439 104 S N 3.705 119.427 115.700 0.037 0.000 2.433 104 S HA 0.140 4.610 4.470 0.000 0.000 0.310 104 S C -0.215 174.372 174.600 -0.022 0.000 1.097 104 S CA -0.738 57.505 58.200 0.071 0.000 1.103 104 S CB 1.325 64.625 63.200 0.167 0.000 0.992 104 S HN 0.735 nan 8.310 nan 0.000 0.469 105 Q N 5.237 124.939 119.800 -0.162 0.000 3.247 105 Q HA 0.085 4.425 4.340 0.000 0.000 0.326 105 Q C 0.975 176.537 176.000 -0.730 0.000 1.402 105 Q CA -0.374 55.166 55.803 -0.438 0.000 0.994 105 Q CB -0.003 28.483 28.738 -0.420 0.000 1.647 105 Q HN 0.939 nan 8.270 nan 0.000 0.523 106 W N -0.119 120.881 121.300 -0.500 0.000 2.468 106 W HA -0.057 4.603 4.660 -0.000 0.000 0.262 106 W C 0.923 177.064 176.519 -0.629 0.000 1.241 106 W CA 0.706 57.730 57.345 -0.536 0.000 1.232 106 W CB -0.639 28.714 29.460 -0.178 0.000 1.124 106 W HN 0.362 nan 8.180 nan 0.000 0.597 107 G N 1.644 109.835 108.800 -1.014 0.000 2.432 107 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 107 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 107 G C 1.848 176.269 174.900 -0.798 0.000 1.135 107 G CA 0.894 45.449 45.100 -0.908 0.000 0.767 107 G HN 0.245 nan 8.290 nan 0.000 0.550 108 R N -0.655 119.207 120.500 -1.064 0.000 2.070 108 R HA -0.104 4.236 4.340 0.000 0.000 0.233 108 R C 2.385 177.751 176.300 -1.557 0.000 1.137 108 R CA 1.673 56.996 56.100 -1.295 0.000 0.945 108 R CB -0.598 28.825 30.300 -1.461 0.000 0.845 108 R HN 0.462 nan 8.270 nan 0.000 0.430 109 Y N 0.782 120.361 120.300 -1.202 0.000 2.165 109 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 109 Y C 2.182 177.817 175.900 -0.442 0.000 1.155 109 Y CA 0.492 58.042 58.100 -0.917 0.000 1.164 109 Y CB -1.051 37.132 38.460 -0.463 0.000 0.978 109 Y HN 0.066 nan 8.280 nan 0.000 0.513 110 L N 0.431 121.533 121.223 -0.202 0.000 2.046 110 L HA -0.161 4.179 4.340 0.000 0.000 0.208 110 L C 2.434 179.226 176.870 -0.130 0.000 1.077 110 L CA 2.651 57.441 54.840 -0.083 0.000 0.747 110 L CB -1.214 40.868 42.059 0.039 0.000 0.896 110 L HN 0.448 nan 8.230 nan 0.000 0.432 111 T N -4.825 109.578 114.554 -0.251 0.000 3.023 111 T HA -0.161 4.189 4.350 0.000 0.000 0.266 111 T C 1.642 176.318 174.700 -0.040 0.000 1.093 111 T CA 0.495 62.494 62.100 -0.169 0.000 1.129 111 T CB -0.756 67.974 68.868 -0.230 0.000 0.899 111 T HN 0.427 nan 8.240 nan 0.000 0.491 112 W N 1.977 123.164 121.300 -0.189 0.000 2.421 112 W HA 0.358 5.018 4.660 0.001 0.000 0.270 112 W C 2.674 179.076 176.519 -0.195 0.000 1.233 112 W CA -0.205 56.993 57.345 -0.245 0.000 1.226 112 W CB -1.167 28.106 29.460 -0.311 0.000 1.121 112 W HN 0.472 nan 8.180 nan 0.000 0.579 113 A N -0.690 122.169 122.820 0.066 0.000 2.168 113 A HA 0.011 4.331 4.320 0.000 0.000 0.215 113 A C 1.916 179.506 177.584 0.011 0.000 1.152 113 A CA 1.151 53.195 52.037 0.013 0.000 0.716 113 A CB -0.300 18.691 19.000 -0.014 0.000 0.794 113 A HN 0.203 nan 8.150 nan 0.000 0.465 114 L N -1.007 120.225 121.223 0.016 0.000 2.577 114 L HA 0.140 4.480 4.340 0.000 0.000 0.225 114 L C 2.356 179.246 176.870 0.033 0.000 1.053 114 L CA 1.854 56.707 54.840 0.021 0.000 0.866 114 L CB -0.106 41.958 42.059 0.009 0.000 1.132 114 L HN 0.312 nan 8.230 nan 0.000 0.486 115 S N -1.936 113.781 115.700 0.028 0.000 2.406 115 S HA -0.111 4.359 4.470 0.000 0.000 0.224 115 S C 1.869 176.462 174.600 -0.012 0.000 1.030 115 S CA 0.977 59.191 58.200 0.024 0.000 0.958 115 S CB -1.086 62.131 63.200 0.029 0.000 0.811 115 S HN 0.552 nan 8.310 nan 0.000 0.489 116 T N 0.464 114.978 114.554 -0.067 0.000 2.821 116 T HA 0.100 4.450 4.350 0.000 0.000 0.267 116 T C -0.801 173.963 174.700 0.107 0.000 1.046 116 T CA 0.857 62.914 62.100 -0.072 0.000 1.139 116 T CB -1.832 66.877 68.868 -0.264 0.000 0.871 116 T HN 0.330 nan 8.240 nan 0.000 0.454 117 P HA 0.063 nan 4.420 nan 0.000 0.218 117 P C 1.739 179.126 177.300 0.145 0.000 1.149 117 P CA 0.835 64.013 63.100 0.131 0.000 0.817 117 P CB -0.128 31.631 31.700 0.099 0.000 0.785 118 M N -1.671 118.000 119.600 0.117 0.000 2.254 118 M HA -0.035 4.445 4.480 0.000 0.000 0.265 118 M C 2.083 178.482 176.300 0.165 0.000 1.066 118 M CA 1.314 56.688 55.300 0.124 0.000 1.123 118 M CB -1.193 31.468 32.600 0.101 0.000 1.388 118 M HN 0.001 nan 8.290 nan 0.000 0.425 119 I N 0.015 120.683 120.570 0.164 0.000 2.226 119 I HA -0.305 3.865 4.170 0.000 0.000 0.245 119 I C 2.182 178.453 176.117 0.257 0.000 1.100 119 I CA 1.070 62.481 61.300 0.184 0.000 1.374 119 I CB -0.298 37.741 38.000 0.065 0.000 1.057 119 I HN 0.209 nan 8.210 nan 0.000 0.413 120 L N -0.233 121.153 121.223 0.271 0.000 2.141 120 L HA -0.193 4.147 4.340 0.000 0.000 0.209 120 L C 2.474 179.554 176.870 0.351 0.000 1.094 120 L CA 0.638 55.694 54.840 0.361 0.000 0.763 120 L CB -0.431 41.838 42.059 0.350 0.000 0.908 120 L HN 0.284 nan 8.230 nan 0.000 0.437 121 L N 0.212 121.577 121.223 0.237 0.000 2.056 121 L HA -0.085 4.255 4.340 0.000 0.000 0.207 121 L C 2.648 179.595 176.870 0.128 0.000 1.078 121 L CA 1.942 56.874 54.840 0.153 0.000 0.749 121 L CB -0.747 41.382 42.059 0.117 0.000 0.901 121 L HN 0.119 nan 8.230 nan 0.000 0.433 122 A N -0.306 122.620 122.820 0.177 0.000 1.883 122 A HA -0.216 4.104 4.320 0.000 0.000 0.217 122 A C 2.329 180.019 177.584 0.176 0.000 1.186 122 A CA 2.244 54.386 52.037 0.175 0.000 0.624 122 A CB -1.031 18.116 19.000 0.246 0.000 0.822 122 A HN 0.503 nan 8.150 nan 0.000 0.444 123 L N -0.913 120.474 121.223 0.274 0.000 2.093 123 L HA -0.117 4.223 4.340 0.000 0.000 0.208 123 L C 2.820 179.747 176.870 0.095 0.000 1.085 123 L CA 1.027 56.053 54.840 0.310 0.000 0.755 123 L CB -0.706 41.665 42.059 0.520 0.000 0.904 123 L HN 0.526 nan 8.230 nan 0.000 0.435 124 G N -0.180 108.568 108.800 -0.086 0.000 2.422 124 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 124 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 124 G C 1.610 176.309 174.900 -0.334 0.000 1.146 124 G CA 0.507 45.278 45.100 -0.548 0.000 0.769 124 G HN 0.221 nan 8.290 nan 0.000 0.547 125 L N -0.510 120.631 121.223 -0.138 0.000 2.044 125 L HA 0.026 4.366 4.340 0.000 0.000 0.205 125 L C 2.680 179.504 176.870 -0.076 0.000 1.075 125 L CA 0.513 55.299 54.840 -0.090 0.000 0.747 125 L CB -0.460 41.588 42.059 -0.018 0.000 0.903 125 L HN 0.231 nan 8.230 nan 0.000 0.435 126 L N 0.488 121.695 121.223 -0.028 0.000 2.043 126 L HA -0.208 4.132 4.340 0.000 0.000 0.212 126 L C 2.373 179.192 176.870 -0.085 0.000 1.075 126 L CA 2.208 57.044 54.840 -0.007 0.000 0.752 126 L CB -0.606 41.473 42.059 0.033 0.000 0.891 126 L HN 0.170 nan 8.230 nan 0.000 0.432 127 A N -1.520 121.193 122.820 -0.179 0.000 2.208 127 A HA 0.026 4.346 4.320 0.000 0.000 0.209 127 A C 0.904 178.294 177.584 -0.323 0.000 1.161 127 A CA 0.688 52.519 52.037 -0.344 0.000 0.782 127 A CB -0.621 18.010 19.000 -0.615 0.000 0.816 127 A HN 0.641 nan 8.150 nan 0.000 0.477 128 D N -0.610 119.635 120.400 -0.258 0.000 2.697 128 D HA -0.133 4.507 4.640 0.000 0.000 0.238 128 D C 0.220 176.355 176.300 -0.274 0.000 1.152 128 D CA 0.765 54.635 54.000 -0.216 0.000 0.666 128 D CB -1.861 38.855 40.800 -0.141 0.000 1.037 128 D HN 0.830 nan 8.370 nan 0.000 0.423 129 V N -2.207 117.457 119.914 -0.417 0.000 3.264 129 V HA 0.429 4.549 4.120 0.000 0.000 0.304 129 V C 0.939 176.875 176.094 -0.263 0.000 1.086 129 V CA -0.530 61.496 62.300 -0.457 0.000 1.090 129 V CB 1.030 32.274 31.823 -0.965 0.000 1.112 129 V HN 0.148 nan 8.190 nan 0.000 0.472 130 D N 1.465 121.769 120.400 -0.161 0.000 2.399 130 D HA 0.124 4.764 4.640 0.000 0.000 0.241 130 D C 1.224 177.503 176.300 -0.035 0.000 1.133 130 D CA -0.268 53.694 54.000 -0.064 0.000 0.890 130 D CB 1.372 42.172 40.800 0.000 0.000 1.201 130 D HN 0.403 nan 8.370 nan 0.000 0.432 131 L N 1.761 122.969 121.223 -0.025 0.000 2.083 131 L HA -0.097 4.243 4.340 0.000 0.000 0.209 131 L C 2.472 179.382 176.870 0.067 0.000 1.083 131 L CA 1.642 56.472 54.840 -0.017 0.000 0.752 131 L CB -1.675 40.356 42.059 -0.047 0.000 0.899 131 L HN 0.538 nan 8.230 nan 0.000 0.433 132 G N -1.299 107.558 108.800 0.094 0.000 2.422 132 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 132 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 132 G C 1.924 176.951 174.900 0.211 0.000 1.140 132 G CA 1.029 46.228 45.100 0.165 0.000 0.775 132 G HN 0.414 nan 8.290 nan 0.000 0.545 133 S N -0.175 115.646 115.700 0.202 0.000 2.357 133 S HA -0.053 4.417 4.470 0.000 0.000 0.221 133 S C 2.300 177.153 174.600 0.421 0.000 1.031 133 S CA 1.151 59.534 58.200 0.304 0.000 0.982 133 S CB -0.281 63.141 63.200 0.370 0.000 0.853 133 S HN 0.206 nan 8.310 nan 0.000 0.458 134 L N 0.978 122.416 121.223 0.357 0.000 2.042 134 L HA 0.056 4.396 4.340 0.000 0.000 0.210 134 L C 1.925 179.045 176.870 0.417 0.000 1.076 134 L CA 1.876 56.959 54.840 0.405 0.000 0.749 134 L CB -0.947 41.201 42.059 0.148 0.000 0.893 134 L HN 0.519 nan 8.230 nan 0.000 0.432 135 F N -0.696 119.340 119.950 0.143 0.000 2.146 135 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 135 F C 2.167 178.027 175.800 0.101 0.000 1.096 135 F CA 1.284 59.346 58.000 0.103 0.000 1.275 135 F CB 0.058 39.100 39.000 0.071 0.000 1.008 135 F HN 0.103 nan 8.300 nan 0.000 0.480 136 T N -0.226 114.461 114.554 0.221 0.000 2.777 136 T HA -0.153 4.197 4.350 0.000 0.000 0.266 136 T C 1.961 176.710 174.700 0.082 0.000 1.040 136 T CA 1.234 63.384 62.100 0.085 0.000 1.141 136 T CB -0.426 68.502 68.868 0.100 0.000 0.868 136 T HN 0.055 nan 8.240 nan 0.000 0.444 137 V N 1.389 121.389 119.914 0.144 0.000 2.358 137 V HA -0.097 4.023 4.120 0.000 0.000 0.246 137 V C 2.382 178.536 176.094 0.100 0.000 1.047 137 V CA 1.345 63.695 62.300 0.084 0.000 1.035 137 V CB -0.555 31.300 31.823 0.054 0.000 0.658 137 V HN 0.484 nan 8.190 nan 0.000 0.452 138 I N 0.390 121.060 120.570 0.166 0.000 2.286 138 I HA -0.231 3.939 4.170 0.000 0.000 0.248 138 I C 2.635 178.772 176.117 0.035 0.000 1.115 138 I CA 1.369 62.753 61.300 0.140 0.000 1.392 138 I CB -0.530 37.603 38.000 0.222 0.000 1.065 138 I HN 0.304 nan 8.210 nan 0.000 0.418 139 A N 0.777 123.581 122.820 -0.026 0.000 1.902 139 A HA -0.141 4.179 4.320 0.000 0.000 0.217 139 A C 2.545 180.046 177.584 -0.138 0.000 1.181 139 A CA 1.781 53.746 52.037 -0.120 0.000 0.623 139 A CB -0.732 18.160 19.000 -0.180 0.000 0.818 139 A HN 0.421 nan 8.150 nan 0.000 0.443 140 A N -0.195 122.596 122.820 -0.049 0.000 1.930 140 A HA -0.160 4.160 4.320 0.000 0.000 0.217 140 A C 1.804 179.327 177.584 -0.101 0.000 1.175 140 A CA 2.060 54.091 52.037 -0.011 0.000 0.627 140 A CB -0.670 18.424 19.000 0.157 0.000 0.815 140 A HN 0.587 nan 8.150 nan 0.000 0.443 141 D N -0.256 120.131 120.400 -0.020 0.000 2.117 141 D HA -0.110 4.530 4.640 0.000 0.000 0.198 141 D C 1.713 177.954 176.300 -0.099 0.000 0.982 141 D CA 1.312 55.317 54.000 0.009 0.000 0.828 141 D CB -0.184 40.670 40.800 0.090 0.000 0.967 141 D HN 0.474 nan 8.370 nan 0.000 0.464 142 I N 0.140 120.630 120.570 -0.133 0.000 2.226 142 I HA -0.113 4.057 4.170 0.000 0.000 0.245 142 I C 2.482 178.422 176.117 -0.295 0.000 1.100 142 I CA 1.207 62.411 61.300 -0.161 0.000 1.374 142 I CB -0.510 37.413 38.000 -0.129 0.000 1.057 142 I HN 0.160 nan 8.210 nan 0.000 0.413 143 G N 0.513 108.980 108.800 -0.554 0.000 2.422 143 G HA2 -0.293 3.667 3.960 0.000 0.000 0.218 143 G HA3 -0.293 3.667 3.960 0.000 0.000 0.218 143 G C 1.742 176.207 174.900 -0.724 0.000 1.146 143 G CA 0.662 45.164 45.100 -0.997 0.000 0.769 143 G HN 0.303 nan 8.290 nan 0.000 0.547 144 M N 0.065 119.390 119.600 -0.458 0.000 2.086 144 M HA -0.110 4.370 4.480 0.000 0.000 0.261 144 M C 2.491 178.726 176.300 -0.109 0.000 1.067 144 M CA 1.632 56.881 55.300 -0.085 0.000 1.116 144 M CB -0.367 32.239 32.600 0.010 0.000 1.348 144 M HN 0.272 nan 8.290 nan 0.000 0.407 145 C N -0.202 119.030 119.300 -0.114 0.000 2.446 145 C HA -0.087 4.373 4.460 0.000 0.000 0.277 145 C C 2.810 177.754 174.990 -0.078 0.000 1.275 145 C CA 1.037 60.033 59.018 -0.038 0.000 1.727 145 C CB -1.175 26.567 27.740 0.004 0.000 2.010 145 C HN 0.684 nan 8.230 nan 0.000 0.486 146 V N 1.028 120.864 119.914 -0.130 0.000 2.548 146 V HA -0.103 4.017 4.120 0.000 0.000 0.249 146 V C 2.222 178.198 176.094 -0.197 0.000 1.055 146 V CA 2.528 64.738 62.300 -0.148 0.000 1.065 146 V CB -1.806 29.926 31.823 -0.152 0.000 0.681 146 V HN 0.645 nan 8.190 nan 0.000 0.462 147 T N -1.813 112.648 114.554 -0.156 0.000 3.023 147 T HA 0.120 4.470 4.350 0.000 0.000 0.266 147 T C 1.972 176.530 174.700 -0.237 0.000 1.093 147 T CA 1.144 63.151 62.100 -0.154 0.000 1.129 147 T CB -0.554 68.402 68.868 0.147 0.000 0.899 147 T HN 0.617 nan 8.240 nan 0.000 0.491 148 G N 1.543 110.205 108.800 -0.229 0.000 2.403 148 G HA2 -0.022 3.938 3.960 0.000 0.000 0.216 148 G HA3 -0.022 3.938 3.960 0.000 0.000 0.216 148 G C 1.401 176.082 174.900 -0.364 0.000 1.154 148 G CA 0.758 45.643 45.100 -0.357 0.000 0.784 148 G HN 0.459 nan 8.290 nan 0.000 0.538 149 L N 1.453 122.536 121.223 -0.233 0.000 2.046 149 L HA 0.193 4.533 4.340 0.000 0.000 0.208 149 L C 2.985 179.729 176.870 -0.210 0.000 1.077 149 L CA 2.117 56.889 54.840 -0.114 0.000 0.747 149 L CB -0.742 41.278 42.059 -0.064 0.000 0.896 149 L HN 0.211 nan 8.230 nan 0.000 0.432 150 A N -0.321 122.251 122.820 -0.413 0.000 1.902 150 A HA -0.119 4.201 4.320 0.000 0.000 0.217 150 A C 2.474 179.782 177.584 -0.461 0.000 1.181 150 A CA 1.887 53.510 52.037 -0.691 0.000 0.623 150 A CB -1.206 16.856 19.000 -1.563 0.000 0.818 150 A HN 0.601 nan 8.150 nan 0.000 0.443 151 A N -0.132 122.516 122.820 -0.287 0.000 1.883 151 A HA 0.122 4.442 4.320 0.000 0.000 0.217 151 A C 2.511 180.199 177.584 0.174 0.000 1.186 151 A CA 2.234 54.293 52.037 0.037 0.000 0.624 151 A CB -1.027 17.864 19.000 -0.181 0.000 0.822 151 A HN 1.091 nan 8.150 nan 0.000 0.444 152 A N -1.172 121.743 122.820 0.159 0.000 1.930 152 A HA -0.047 4.273 4.320 0.000 0.000 0.217 152 A C 2.067 179.723 177.584 0.121 0.000 1.175 152 A CA 1.811 54.002 52.037 0.256 0.000 0.627 152 A CB -0.381 18.812 19.000 0.322 0.000 0.815 152 A HN 0.433 nan 8.150 nan 0.000 0.443 153 M N 0.084 119.698 119.600 0.024 0.000 2.506 153 M HA 0.042 4.522 4.480 0.000 0.000 0.260 153 M C 0.249 176.542 176.300 -0.012 0.000 1.104 153 M CA 0.606 55.882 55.300 -0.041 0.000 1.112 153 M CB -1.250 31.262 32.600 -0.145 0.000 1.401 153 M HN 0.145 nan 8.290 nan 0.000 0.473 154 T N 2.060 116.645 114.554 0.051 0.000 2.834 154 T HA 0.174 4.524 4.350 0.000 0.000 0.298 154 T C 1.375 176.139 174.700 0.108 0.000 0.966 154 T CA 0.322 62.494 62.100 0.119 0.000 1.141 154 T CB 0.727 69.762 68.868 0.279 0.000 0.905 154 T HN 0.463 nan 8.240 nan 0.000 0.535 155 T N -1.697 112.908 114.554 0.084 0.000 3.004 155 T HA 0.065 4.415 4.350 0.000 0.000 0.266 155 T C 2.122 176.879 174.700 0.095 0.000 0.986 155 T CA 0.226 62.367 62.100 0.068 0.000 0.902 155 T CB 0.006 68.889 68.868 0.026 0.000 1.118 155 T HN 0.505 nan 8.240 nan 0.000 0.522 156 S N 1.893 117.672 115.700 0.131 0.000 2.371 156 S HA 0.500 4.970 4.470 0.000 0.000 0.224 156 S C 0.905 175.622 174.600 0.195 0.000 1.029 156 S CA 0.223 58.514 58.200 0.152 0.000 0.978 156 S CB -0.336 62.957 63.200 0.156 0.000 0.833 156 S HN 1.050 nan 8.310 nan 0.000 0.466 157 A N -0.086 122.895 122.820 0.268 0.000 2.574 157 A HA 0.707 5.027 4.320 0.000 0.000 0.297 157 A C 0.104 177.798 177.584 0.183 0.000 1.062 157 A CA -0.605 51.548 52.037 0.193 0.000 0.686 157 A CB 0.657 19.735 19.000 0.130 0.000 1.285 157 A HN 0.253 nan 8.150 nan 0.000 0.403 158 L N 1.701 123.015 121.223 0.153 0.000 2.079 158 L HA -0.108 4.232 4.340 0.000 0.000 0.210 158 L C 2.112 179.125 176.870 0.237 0.000 1.081 158 L CA 2.530 57.509 54.840 0.231 0.000 0.752 158 L CB -0.693 41.516 42.059 0.251 0.000 0.896 158 L HN 0.924 nan 8.230 nan 0.000 0.433 159 L N -1.180 120.068 121.223 0.042 0.000 2.013 159 L HA -0.236 4.104 4.340 0.000 0.000 0.212 159 L C 2.157 178.980 176.870 -0.079 0.000 1.073 159 L CA 2.041 56.824 54.840 -0.095 0.000 0.753 159 L CB -0.908 40.912 42.059 -0.398 0.000 0.890 159 L HN 0.200 nan 8.230 nan 0.000 0.432 160 F N -0.072 119.932 119.950 0.089 0.000 2.259 160 F HA -0.024 4.503 4.527 0.000 0.000 0.298 160 F C 2.585 178.444 175.800 0.098 0.000 1.088 160 F CA 1.092 59.096 58.000 0.007 0.000 1.358 160 F CB -0.675 38.328 39.000 0.005 0.000 1.040 160 F HN 0.046 nan 8.300 nan 0.000 0.505 161 R N -1.193 119.505 120.500 0.330 0.000 2.073 161 R HA -0.187 4.153 4.340 0.000 0.000 0.234 161 R C 2.002 178.391 176.300 0.149 0.000 1.134 161 R CA 1.918 58.172 56.100 0.256 0.000 0.952 161 R CB -0.741 29.643 30.300 0.139 0.000 0.850 161 R HN 0.323 nan 8.270 nan 0.000 0.433 162 W N 0.032 121.465 121.300 0.223 0.000 2.584 162 W HA 0.085 4.745 4.660 0.000 0.000 0.264 162 W C 2.298 178.904 176.519 0.144 0.000 1.264 162 W CA 0.540 57.982 57.345 0.161 0.000 1.306 162 W CB 0.014 29.519 29.460 0.076 0.000 1.110 162 W HN 0.180 nan 8.180 nan 0.000 0.606 163 A N -0.338 122.641 122.820 0.264 0.000 1.898 163 A HA -0.138 4.182 4.320 0.000 0.000 0.216 163 A C 1.647 179.293 177.584 0.102 0.000 1.181 163 A CA 1.135 53.242 52.037 0.116 0.000 0.620 163 A CB -1.059 17.938 19.000 -0.006 0.000 0.819 163 A HN 0.219 nan 8.150 nan 0.000 0.442 164 F N -1.553 118.484 119.950 0.145 0.000 2.134 164 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 164 F C 2.185 177.988 175.800 0.005 0.000 1.097 164 F CA 1.139 59.175 58.000 0.061 0.000 1.264 164 F CB -1.027 37.981 39.000 0.015 0.000 1.001 164 F HN 0.442 nan 8.300 nan 0.000 0.479 165 Y N 0.634 120.948 120.300 0.023 0.000 2.128 165 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 165 Y C 2.368 178.281 175.900 0.021 0.000 1.154 165 Y CA 1.560 59.562 58.100 -0.163 0.000 1.149 165 Y CB -0.714 37.569 38.460 -0.294 0.000 0.976 165 Y HN -0.016 nan 8.280 nan 0.000 0.505 166 A N 0.317 123.332 122.820 0.326 0.000 1.902 166 A HA -0.148 4.172 4.320 0.000 0.000 0.217 166 A C 2.159 179.786 177.584 0.072 0.000 1.181 166 A CA 1.807 53.974 52.037 0.217 0.000 0.623 166 A CB -0.884 18.243 19.000 0.211 0.000 0.818 166 A HN 0.503 nan 8.150 nan 0.000 0.443 167 I N -0.271 120.344 120.570 0.075 0.000 2.315 167 I HA -0.139 4.031 4.170 0.000 0.000 0.248 167 I C 2.686 178.830 176.117 0.046 0.000 1.117 167 I CA 1.752 63.062 61.300 0.017 0.000 1.404 167 I CB -1.291 36.763 38.000 0.090 0.000 1.071 167 I HN 0.396 nan 8.210 nan 0.000 0.419 168 S N 0.061 115.815 115.700 0.090 0.000 2.382 168 S HA -0.192 4.278 4.470 0.000 0.000 0.228 168 S C 2.369 177.003 174.600 0.058 0.000 1.027 168 S CA 1.596 59.855 58.200 0.099 0.000 0.991 168 S CB -0.242 62.881 63.200 -0.129 0.000 0.823 168 S HN 0.502 nan 8.310 nan 0.000 0.469 169 C N 1.505 120.776 119.300 -0.049 0.000 2.425 169 C HA 0.049 4.510 4.460 0.000 0.000 0.277 169 C C 3.045 178.099 174.990 0.107 0.000 1.280 169 C CA 0.606 59.650 59.018 0.043 0.000 1.744 169 C CB -1.693 26.055 27.740 0.012 0.000 1.989 169 C HN 0.735 nan 8.230 nan 0.000 0.491 170 A N -0.125 122.699 122.820 0.006 0.000 1.902 170 A HA -0.130 4.190 4.320 0.000 0.000 0.217 170 A C 1.825 179.378 177.584 -0.052 0.000 1.181 170 A CA 1.559 53.547 52.037 -0.081 0.000 0.623 170 A CB -0.772 18.098 19.000 -0.216 0.000 0.818 170 A HN 0.487 nan 8.150 nan 0.000 0.443 171 F N -1.413 118.567 119.950 0.049 0.000 2.171 171 F HA -0.090 4.437 4.527 0.000 0.000 0.300 171 F C 1.992 177.863 175.800 0.117 0.000 1.090 171 F CA 1.068 59.100 58.000 0.054 0.000 1.293 171 F CB -0.790 38.233 39.000 0.039 0.000 1.013 171 F HN 0.350 nan 8.300 nan 0.000 0.486 172 F N 0.529 120.564 119.950 0.140 0.000 2.161 172 F HA -0.188 4.340 4.527 0.001 0.000 0.300 172 F C 2.208 178.021 175.800 0.023 0.000 1.089 172 F CA 1.074 59.120 58.000 0.076 0.000 1.282 172 F CB -0.931 38.093 39.000 0.041 0.000 1.010 172 F HN -0.200 nan 8.300 nan 0.000 0.485 173 V N -0.569 119.328 119.914 -0.028 0.000 2.427 173 V HA -0.272 3.848 4.120 0.000 0.000 0.248 173 V C 2.491 178.505 176.094 -0.132 0.000 1.051 173 V CA 1.488 63.683 62.300 -0.175 0.000 1.048 173 V CB -0.805 30.954 31.823 -0.106 0.000 0.666 173 V HN 0.228 nan 8.190 nan 0.000 0.456 174 V N -0.269 119.624 119.914 -0.035 0.000 2.295 174 V HA -0.228 3.892 4.120 0.000 0.000 0.246 174 V C 2.428 178.472 176.094 -0.083 0.000 1.049 174 V CA 1.964 64.248 62.300 -0.028 0.000 1.024 174 V CB -0.450 31.412 31.823 0.066 0.000 0.648 174 V HN 0.410 nan 8.190 nan 0.000 0.447 175 V N -0.191 119.692 119.914 -0.052 0.000 2.287 175 V HA -0.273 3.847 4.120 0.000 0.000 0.248 175 V C 2.315 178.223 176.094 -0.311 0.000 1.053 175 V CA 2.081 64.296 62.300 -0.142 0.000 1.027 175 V CB -0.571 31.267 31.823 0.024 0.000 0.646 175 V HN 0.443 nan 8.190 nan 0.000 0.447 176 L N 0.836 121.857 121.223 -0.337 0.000 2.083 176 L HA -0.163 4.177 4.340 0.000 0.000 0.209 176 L C 2.771 179.458 176.870 -0.304 0.000 1.083 176 L CA 1.785 56.385 54.840 -0.399 0.000 0.752 176 L CB -0.802 40.949 42.059 -0.513 0.000 0.899 176 L HN 0.586 nan 8.230 nan 0.000 0.433 177 S N 0.242 115.796 115.700 -0.244 0.000 2.400 177 S HA -0.216 4.254 4.470 0.000 0.000 0.232 177 S C 2.118 176.606 174.600 -0.186 0.000 1.025 177 S CA 1.011 59.105 58.200 -0.176 0.000 0.993 177 S CB -0.393 62.730 63.200 -0.128 0.000 0.808 177 S HN 0.374 nan 8.310 nan 0.000 0.478 178 A N 1.947 124.587 122.820 -0.299 0.000 1.897 178 A HA 0.240 4.561 4.320 0.000 0.000 0.215 178 A C 2.325 179.681 177.584 -0.380 0.000 1.181 178 A CA 1.224 53.005 52.037 -0.427 0.000 0.620 178 A CB -0.789 17.713 19.000 -0.830 0.000 0.821 178 A HN 0.549 nan 8.150 nan 0.000 0.443 179 L N 0.076 121.074 121.223 -0.374 0.000 2.191 179 L HA -0.131 4.209 4.340 0.000 0.000 0.212 179 L C 2.352 179.266 176.870 0.074 0.000 1.103 179 L CA 1.401 56.198 54.840 -0.071 0.000 0.769 179 L CB -0.423 41.506 42.059 -0.217 0.000 0.908 179 L HN 0.466 nan 8.230 nan 0.000 0.438 180 V N -4.726 115.167 119.914 -0.034 0.000 3.608 180 V HA 0.059 4.179 4.120 0.000 0.000 0.269 180 V C 1.572 177.685 176.094 0.031 0.000 1.245 180 V CA 0.928 63.230 62.300 0.002 0.000 1.138 180 V CB -0.383 31.407 31.823 -0.055 0.000 0.841 180 V HN 0.522 nan 8.190 nan 0.000 0.451 181 T N -1.031 113.543 114.554 0.033 0.000 3.066 181 T HA 0.091 4.441 4.350 0.000 0.000 0.176 181 T C 1.569 176.320 174.700 0.085 0.000 0.826 181 T CA 0.761 62.887 62.100 0.043 0.000 1.280 181 T CB -0.576 68.299 68.868 0.013 0.000 2.214 181 T HN 0.426 nan 8.240 nan 0.000 0.399 182 D N 0.139 120.606 120.400 0.112 0.000 2.218 182 D HA -0.132 4.508 4.640 0.000 0.000 0.204 182 D C 1.571 178.001 176.300 0.216 0.000 0.976 182 D CA 0.815 54.906 54.000 0.152 0.000 0.853 182 D CB -0.527 40.376 40.800 0.172 0.000 0.939 182 D HN 0.501 nan 8.370 nan 0.000 0.481 183 W N 1.596 122.850 121.300 -0.077 0.000 2.436 183 W HA 0.309 4.969 4.660 -0.000 0.000 0.284 183 W C 2.831 179.057 176.519 -0.489 0.000 1.225 183 W CA 0.828 58.049 57.345 -0.206 0.000 1.271 183 W CB -0.781 28.657 29.460 -0.035 0.000 1.114 183 W HN 0.124 nan 8.180 nan 0.000 0.559 184 A N 0.029 122.850 122.820 0.002 0.000 1.929 184 A HA 0.096 4.416 4.320 0.000 0.000 0.216 184 A C 2.150 179.669 177.584 -0.109 0.000 1.176 184 A CA 2.028 54.030 52.037 -0.058 0.000 0.628 184 A CB -1.042 18.081 19.000 0.206 0.000 0.816 184 A HN 0.094 nan 8.150 nan 0.000 0.444 185 A N -0.470 122.321 122.820 -0.048 0.000 1.969 185 A HA -0.021 4.299 4.320 0.000 0.000 0.218 185 A C 2.387 179.913 177.584 -0.096 0.000 1.169 185 A CA 1.923 53.932 52.037 -0.047 0.000 0.635 185 A CB -0.659 18.334 19.000 -0.012 0.000 0.810 185 A HN 0.434 nan 8.150 nan 0.000 0.445 186 S N -0.062 115.548 115.700 -0.150 0.000 2.387 186 S HA 0.043 4.513 4.470 0.000 0.000 0.226 186 S C 2.270 176.730 174.600 -0.232 0.000 1.026 186 S CA 0.967 59.053 58.200 -0.190 0.000 0.972 186 S CB -0.364 62.685 63.200 -0.252 0.000 0.814 186 S HN 0.771 nan 8.310 nan 0.000 0.477 187 A N 1.007 123.619 122.820 -0.348 0.000 1.969 187 A HA -0.055 4.265 4.320 0.000 0.000 0.218 187 A C 2.246 179.735 177.584 -0.159 0.000 1.169 187 A CA 1.771 53.611 52.037 -0.329 0.000 0.635 187 A CB -0.875 17.790 19.000 -0.558 0.000 0.810 187 A HN 0.454 nan 8.150 nan 0.000 0.445 188 S N 0.189 115.816 115.700 -0.120 0.000 2.383 188 S HA -0.135 4.335 4.470 0.000 0.000 0.227 188 S C 2.181 176.755 174.600 -0.044 0.000 1.026 188 S CA 1.987 60.155 58.200 -0.054 0.000 0.981 188 S CB -0.425 62.755 63.200 -0.034 0.000 0.818 188 S HN 0.853 nan 8.310 nan 0.000 0.472 189 S N 0.091 115.754 115.700 -0.060 0.000 2.527 189 S HA 0.385 4.855 4.470 0.000 0.000 0.222 189 S C 1.476 176.049 174.600 -0.045 0.000 0.985 189 S CA 0.484 58.657 58.200 -0.045 0.000 0.921 189 S CB 0.014 63.184 63.200 -0.049 0.000 0.772 189 S HN 0.556 nan 8.310 nan 0.000 0.529 190 A N 0.528 123.312 122.820 -0.061 0.000 2.348 190 A HA 0.643 4.963 4.320 0.000 0.000 0.224 190 A C 1.626 179.207 177.584 -0.005 0.000 1.227 190 A CA 0.276 52.285 52.037 -0.047 0.000 0.885 190 A CB -0.818 18.132 19.000 -0.083 0.000 0.933 190 A HN 1.437 nan 8.150 nan 0.000 0.506 191 G N -0.262 108.539 108.800 0.001 0.000 2.160 191 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 191 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 191 G C 0.613 175.564 174.900 0.085 0.000 1.008 191 G CA 1.243 46.370 45.100 0.045 0.000 0.724 191 G HN 1.375 nan 8.290 nan 0.000 0.514 192 T N -3.765 110.796 114.554 0.012 0.000 3.252 192 T HA 0.671 5.021 4.350 0.000 0.000 0.286 192 T C 1.977 176.610 174.700 -0.111 0.000 1.013 192 T CA 0.978 63.036 62.100 -0.070 0.000 0.914 192 T CB 0.885 69.673 68.868 -0.132 0.000 1.131 192 T HN 1.266 nan 8.240 nan 0.000 0.529 193 A N 2.551 125.351 122.820 -0.033 0.000 1.978 193 A HA -0.139 4.181 4.320 0.000 0.000 0.220 193 A C 2.249 179.845 177.584 0.019 0.000 1.170 193 A CA 1.841 53.890 52.037 0.020 0.000 0.636 193 A CB -0.576 18.438 19.000 0.023 0.000 0.810 193 A HN 0.821 nan 8.150 nan 0.000 0.448 194 E N -0.249 119.935 120.200 -0.027 0.000 2.031 194 E HA -0.189 4.161 4.350 0.000 0.000 0.193 194 E C 1.742 178.247 176.600 -0.158 0.000 0.994 194 E CA 1.540 57.916 56.400 -0.041 0.000 0.800 194 E CB -0.552 29.168 29.700 0.033 0.000 0.752 194 E HN 0.438 nan 8.360 nan 0.000 0.447 195 I N -0.023 120.295 120.570 -0.420 0.000 2.315 195 I HA -0.082 4.088 4.170 0.000 0.000 0.248 195 I C 1.983 177.904 176.117 -0.326 0.000 1.117 195 I CA 0.916 61.834 61.300 -0.635 0.000 1.404 195 I CB -0.363 36.682 38.000 -1.591 0.000 1.071 195 I HN 0.224 nan 8.210 nan 0.000 0.419 196 F N 1.527 121.277 119.950 -0.334 0.000 2.102 196 F HA -0.229 4.297 4.527 -0.000 0.000 0.298 196 F C 2.193 177.936 175.800 -0.095 0.000 1.105 196 F CA 2.007 59.904 58.000 -0.171 0.000 1.239 196 F CB -0.520 38.410 39.000 -0.116 0.000 0.991 196 F HN 0.138 nan 8.300 nan 0.000 0.474 197 D N -0.548 119.824 120.400 -0.047 0.000 2.144 197 D HA -0.148 4.492 4.640 0.000 0.000 0.199 197 D C 2.281 178.490 176.300 -0.151 0.000 0.984 197 D CA 1.863 55.804 54.000 -0.098 0.000 0.834 197 D CB -0.625 40.174 40.800 -0.002 0.000 0.955 197 D HN 0.294 nan 8.370 nan 0.000 0.465 198 T N 1.127 115.601 114.554 -0.133 0.000 2.701 198 T HA -0.043 4.307 4.350 0.000 0.000 0.263 198 T C 2.237 176.870 174.700 -0.111 0.000 1.040 198 T CA 0.541 62.582 62.100 -0.099 0.000 1.147 198 T CB -0.263 68.555 68.868 -0.084 0.000 0.865 198 T HN 0.115 nan 8.240 nan 0.000 0.426 199 L N 0.589 121.711 121.223 -0.168 0.000 2.131 199 L HA -0.046 4.294 4.340 0.000 0.000 0.210 199 L C 2.807 179.591 176.870 -0.143 0.000 1.092 199 L CA 1.170 55.951 54.840 -0.099 0.000 0.759 199 L CB -0.516 41.475 42.059 -0.113 0.000 0.903 199 L HN 0.178 nan 8.230 nan 0.000 0.435 200 R N 0.199 120.470 120.500 -0.382 0.000 2.081 200 R HA -0.147 4.193 4.340 0.000 0.000 0.235 200 R C 2.229 178.396 176.300 -0.222 0.000 1.131 200 R CA 1.527 57.376 56.100 -0.420 0.000 0.960 200 R CB -0.209 29.753 30.300 -0.563 0.000 0.856 200 R HN 0.121 nan 8.270 nan 0.000 0.436 201 V N 1.234 121.061 119.914 -0.146 0.000 2.287 201 V HA -0.262 3.858 4.120 0.000 0.000 0.248 201 V C 2.269 178.349 176.094 -0.024 0.000 1.053 201 V CA 1.568 63.824 62.300 -0.073 0.000 1.027 201 V CB -0.455 31.343 31.823 -0.042 0.000 0.646 201 V HN 0.250 nan 8.190 nan 0.000 0.447 202 L N -0.474 120.760 121.223 0.020 0.000 2.012 202 L HA -0.151 4.189 4.340 0.000 0.000 0.210 202 L C 2.390 179.328 176.870 0.112 0.000 1.073 202 L CA 1.612 56.519 54.840 0.112 0.000 0.748 202 L CB -1.089 41.101 42.059 0.218 0.000 0.891 202 L HN 0.129 nan 8.230 nan 0.000 0.431 203 V N -1.172 118.738 119.914 -0.007 0.000 2.237 203 V HA -0.277 3.843 4.120 0.000 0.000 0.245 203 V C 2.427 178.372 176.094 -0.248 0.000 1.046 203 V CA 1.682 63.829 62.300 -0.254 0.000 1.007 203 V CB -0.423 31.070 31.823 -0.550 0.000 0.638 203 V HN 0.230 nan 8.190 nan 0.000 0.445 204 V N -0.349 119.447 119.914 -0.196 0.000 2.287 204 V HA -0.241 3.879 4.120 0.000 0.000 0.248 204 V C 2.403 178.557 176.094 0.099 0.000 1.053 204 V CA 2.067 64.319 62.300 -0.080 0.000 1.027 204 V CB -0.552 31.196 31.823 -0.125 0.000 0.646 204 V HN 0.392 nan 8.190 nan 0.000 0.447 205 V N -0.136 119.825 119.914 0.079 0.000 2.261 205 V HA -0.251 3.869 4.120 0.000 0.000 0.246 205 V C 2.288 178.494 176.094 0.187 0.000 1.047 205 V CA 2.100 64.467 62.300 0.111 0.000 1.015 205 V CB -0.560 31.302 31.823 0.064 0.000 0.642 205 V HN 0.449 nan 8.190 nan 0.000 0.446 206 L N -1.968 119.400 121.223 0.241 0.000 2.141 206 L HA -0.153 4.187 4.340 0.000 0.000 0.209 206 L C 2.384 179.543 176.870 0.482 0.000 1.094 206 L CA 1.420 56.451 54.840 0.319 0.000 0.763 206 L CB -0.558 41.720 42.059 0.364 0.000 0.908 206 L HN 0.411 nan 8.230 nan 0.000 0.437 207 W N 0.053 121.469 121.300 0.193 0.000 2.519 207 W HA -0.004 4.657 4.660 0.001 0.000 0.266 207 W C 2.216 178.857 176.519 0.203 0.000 1.253 207 W CA 0.374 57.827 57.345 0.181 0.000 1.274 207 W CB -0.517 29.050 29.460 0.179 0.000 1.114 207 W HN 0.026 nan 8.180 nan 0.000 0.596 208 L N -0.380 121.139 121.223 0.494 0.000 2.275 208 L HA -0.012 4.328 4.340 0.000 0.000 0.215 208 L C 2.513 179.530 176.870 0.244 0.000 1.119 208 L CA 1.146 56.217 54.840 0.384 0.000 0.790 208 L CB -1.110 41.129 42.059 0.300 0.000 0.919 208 L HN 0.066 nan 8.230 nan 0.000 0.443 209 G N -0.855 108.065 108.800 0.200 0.000 2.422 209 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 209 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 209 G C 1.230 176.143 174.900 0.022 0.000 1.140 209 G CA 0.425 45.562 45.100 0.061 0.000 0.775 209 G HN 0.259 nan 8.290 nan 0.000 0.545 210 Y N 1.705 122.023 120.300 0.031 0.000 2.145 210 Y HA -0.043 4.506 4.550 -0.000 0.000 0.286 210 Y C 0.517 176.547 175.900 0.217 0.000 1.145 210 Y CA 1.655 59.812 58.100 0.095 0.000 1.148 210 Y CB -1.166 37.117 38.460 -0.296 0.000 0.981 210 Y HN 0.248 nan 8.280 nan 0.000 0.507 211 P HA -0.114 nan 4.420 nan 0.000 0.223 211 P C 1.360 178.939 177.300 0.465 0.000 1.151 211 P CA 1.541 64.819 63.100 0.297 0.000 0.787 211 P CB -0.050 31.700 31.700 0.082 0.000 0.788 212 I N -0.744 120.017 120.570 0.319 0.000 2.286 212 I HA -0.148 4.022 4.170 0.000 0.000 0.245 212 I C 2.469 178.722 176.117 0.226 0.000 1.104 212 I CA 0.980 62.439 61.300 0.265 0.000 1.397 212 I CB -0.575 37.525 38.000 0.166 0.000 1.072 212 I HN -0.201 nan 8.210 nan 0.000 0.417 213 V N -0.128 119.881 119.914 0.159 0.000 2.358 213 V HA -0.287 3.833 4.120 0.000 0.000 0.246 213 V C 2.128 178.308 176.094 0.142 0.000 1.047 213 V CA 1.874 64.175 62.300 0.002 0.000 1.035 213 V CB -0.641 30.965 31.823 -0.361 0.000 0.658 213 V HN 0.580 nan 8.190 nan 0.000 0.452 214 W N 0.782 122.220 121.300 0.230 0.000 2.355 214 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 214 W C 2.488 179.129 176.519 0.203 0.000 1.206 214 W CA 2.267 59.794 57.345 0.304 0.000 1.284 214 W CB -0.271 29.424 29.460 0.393 0.000 1.145 214 W HN 0.191 nan 8.180 nan 0.000 0.502 215 A N -0.611 122.597 122.820 0.647 0.000 1.902 215 A HA -0.174 4.146 4.320 0.000 0.000 0.217 215 A C 1.909 179.648 177.584 0.259 0.000 1.181 215 A CA 2.233 54.575 52.037 0.508 0.000 0.623 215 A CB -1.140 18.155 19.000 0.492 0.000 0.818 215 A HN 0.170 nan 8.150 nan 0.000 0.443 216 V N -0.175 119.842 119.914 0.172 0.000 2.719 216 V HA 0.049 4.169 4.120 0.000 0.000 0.252 216 V C 1.861 177.968 176.094 0.021 0.000 1.065 216 V CA 0.703 63.052 62.300 0.082 0.000 1.086 216 V CB -1.253 30.607 31.823 0.063 0.000 0.700 216 V HN 0.584 nan 8.190 nan 0.000 0.467 217 G N -0.825 107.967 108.800 -0.014 0.000 2.611 217 G HA2 0.210 4.171 3.960 0.000 0.000 0.273 217 G HA3 0.210 4.171 3.960 0.000 0.000 0.273 217 G C 1.094 175.940 174.900 -0.090 0.000 1.305 217 G CA 0.292 45.355 45.100 -0.061 0.000 1.010 217 G HN 0.006 nan 8.290 nan 0.000 0.509 218 V N -0.590 119.284 119.914 -0.067 0.000 2.828 218 V HA -0.111 4.009 4.120 0.000 0.000 0.260 218 V C 2.238 178.306 176.094 -0.043 0.000 1.101 218 V CA 2.651 64.936 62.300 -0.025 0.000 1.123 218 V CB -0.503 31.320 31.823 0.000 0.000 0.704 218 V HN 0.807 nan 8.190 nan 0.000 0.493 219 E N -0.833 119.194 120.200 -0.289 0.000 2.364 219 E HA 0.156 4.506 4.350 0.000 0.000 0.196 219 E C 1.647 177.770 176.600 -0.794 0.000 0.990 219 E CA 0.537 56.626 56.400 -0.518 0.000 0.886 219 E CB 0.204 29.435 29.700 -0.783 0.000 0.866 219 E HN 0.685 nan 8.360 nan 0.000 0.493 220 G N 1.012 109.363 108.800 -0.747 0.000 3.226 220 G HA2 0.049 4.009 3.960 0.000 0.000 0.190 220 G HA3 0.049 4.009 3.960 0.000 0.000 0.190 220 G C 1.071 176.028 174.900 0.095 0.000 1.988 220 G CA -0.342 44.496 45.100 -0.436 0.000 0.859 220 G HN -0.015 nan 8.290 nan 0.000 0.631 221 L N 0.699 122.042 121.223 0.199 0.000 2.341 221 L HA 0.292 4.632 4.340 0.000 0.000 0.214 221 L C 1.965 178.788 176.870 -0.078 0.000 1.115 221 L CA 0.711 55.596 54.840 0.075 0.000 0.820 221 L CB -0.253 41.854 42.059 0.080 0.000 0.944 221 L HN 0.589 nan 8.230 nan 0.000 0.452 222 A N 0.055 122.844 122.820 -0.052 0.000 2.846 222 A HA -0.200 4.120 4.320 0.000 0.000 0.287 222 A C 1.216 178.785 177.584 -0.024 0.000 1.469 222 A CA 0.643 52.657 52.037 -0.038 0.000 0.757 222 A CB -2.104 16.875 19.000 -0.035 0.000 1.033 222 A HN 0.404 nan 8.150 nan 0.000 0.516 223 L N -1.689 119.527 121.223 -0.012 0.000 2.201 223 L HA -0.032 4.308 4.340 0.000 0.000 0.212 223 L C 0.720 177.589 176.870 -0.002 0.000 1.105 223 L CA 1.149 55.985 54.840 -0.007 0.000 0.775 223 L CB -0.167 41.893 42.059 0.003 0.000 0.913 223 L HN 0.423 nan 8.230 nan 0.000 0.440 224 V N -0.047 119.866 119.914 -0.000 0.000 2.407 224 V HA 0.144 4.264 4.120 0.000 0.000 0.291 224 V C 0.484 176.582 176.094 0.006 0.000 1.018 224 V CA -0.370 61.932 62.300 0.004 0.000 0.842 224 V CB 1.609 33.433 31.823 0.003 0.000 0.996 224 V HN 0.187 nan 8.190 nan 0.000 0.426 225 Q N 1.547 121.355 119.800 0.014 0.000 2.425 225 Q HA 0.092 4.432 4.340 0.000 0.000 0.204 225 Q C 1.094 177.109 176.000 0.026 0.000 0.933 225 Q CA 0.100 55.916 55.803 0.022 0.000 0.939 225 Q CB 0.638 29.391 28.738 0.026 0.000 1.044 225 Q HN 0.678 nan 8.270 nan 0.000 0.513 226 S N 0.210 115.927 115.700 0.028 0.000 2.488 226 S HA 0.054 4.524 4.470 0.000 0.000 0.278 226 S C 0.947 175.574 174.600 0.045 0.000 1.259 226 S CA -0.435 57.788 58.200 0.039 0.000 1.061 226 S CB 1.347 64.574 63.200 0.046 0.000 0.910 226 S HN 0.228 nan 8.310 nan 0.000 0.491 227 V N 6.133 126.075 119.914 0.046 0.000 2.548 227 V HA 0.088 4.208 4.120 0.000 0.000 0.249 227 V C 2.063 178.200 176.094 0.072 0.000 1.055 227 V CA 2.551 64.879 62.300 0.048 0.000 1.065 227 V CB -1.111 30.731 31.823 0.032 0.000 0.681 227 V HN 0.991 nan 8.190 nan 0.000 0.462 228 G N -0.616 108.239 108.800 0.091 0.000 2.418 228 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 228 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 228 G C 1.751 176.787 174.900 0.227 0.000 1.158 228 G CA 0.980 46.169 45.100 0.148 0.000 0.771 228 G HN 0.733 nan 8.290 nan 0.000 0.545 229 A N 0.274 123.196 122.820 0.169 0.000 1.898 229 A HA 0.019 4.339 4.320 0.000 0.000 0.216 229 A C 2.523 180.189 177.584 0.136 0.000 1.181 229 A CA 2.363 54.499 52.037 0.166 0.000 0.620 229 A CB -0.921 18.128 19.000 0.082 0.000 0.819 229 A HN 0.277 nan 8.150 nan 0.000 0.442 230 T N -0.490 114.109 114.554 0.074 0.000 2.720 230 T HA -0.144 4.206 4.350 0.000 0.000 0.268 230 T C 2.266 176.996 174.700 0.048 0.000 1.037 230 T CA 1.753 63.855 62.100 0.004 0.000 1.144 230 T CB -0.326 68.553 68.868 0.017 0.000 0.864 230 T HN 0.508 nan 8.240 nan 0.000 0.444 231 S N -0.568 115.212 115.700 0.133 0.000 2.368 231 S HA -0.104 4.366 4.470 0.000 0.000 0.225 231 S C 1.731 176.413 174.600 0.137 0.000 1.030 231 S CA 1.089 59.380 58.200 0.151 0.000 0.999 231 S CB -0.506 62.716 63.200 0.036 0.000 0.844 231 S HN 0.675 nan 8.310 nan 0.000 0.459 232 W N 1.575 122.929 121.300 0.089 0.000 2.374 232 W HA 0.001 4.661 4.660 -0.000 0.000 0.288 232 W C 2.634 179.193 176.519 0.067 0.000 1.218 232 W CA 0.838 58.234 57.345 0.085 0.000 1.245 232 W CB -0.409 29.085 29.460 0.056 0.000 1.126 232 W HN 0.406 nan 8.180 nan 0.000 0.545 233 A N -0.844 122.108 122.820 0.221 0.000 1.877 233 A HA -0.239 4.082 4.320 0.000 0.000 0.216 233 A C 1.615 179.226 177.584 0.046 0.000 1.186 233 A CA 1.583 53.656 52.037 0.060 0.000 0.620 233 A CB -1.335 17.591 19.000 -0.124 0.000 0.822 233 A HN 0.359 nan 8.150 nan 0.000 0.443 234 Y N 0.762 121.132 120.300 0.117 0.000 2.181 234 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 234 Y C 3.047 179.039 175.900 0.154 0.000 1.146 234 Y CA 1.134 59.301 58.100 0.113 0.000 1.164 234 Y CB -0.751 37.856 38.460 0.245 0.000 0.982 234 Y HN 0.266 nan 8.280 nan 0.000 0.515 235 S N -0.590 115.304 115.700 0.322 0.000 2.368 235 S HA -0.153 4.317 4.470 0.000 0.000 0.225 235 S C 2.276 177.011 174.600 0.224 0.000 1.030 235 S CA 1.360 59.707 58.200 0.245 0.000 0.999 235 S CB -0.635 62.565 63.200 0.000 0.000 0.844 235 S HN 0.224 nan 8.310 nan 0.000 0.459 236 V N 2.073 122.154 119.914 0.279 0.000 2.358 236 V HA -0.130 3.990 4.120 0.000 0.000 0.246 236 V C 2.165 178.437 176.094 0.297 0.000 1.047 236 V CA 1.394 63.879 62.300 0.308 0.000 1.035 236 V CB -0.722 31.301 31.823 0.335 0.000 0.658 236 V HN 0.409 nan 8.190 nan 0.000 0.452 237 L N -0.228 121.104 121.223 0.182 0.000 2.012 237 L HA -0.216 4.124 4.340 0.000 0.000 0.210 237 L C 2.409 179.399 176.870 0.200 0.000 1.073 237 L CA 1.721 56.625 54.840 0.107 0.000 0.748 237 L CB -0.787 41.047 42.059 -0.375 0.000 0.891 237 L HN 0.318 nan 8.230 nan 0.000 0.431 238 D N -0.340 120.175 120.400 0.192 0.000 2.123 238 D HA -0.167 4.474 4.640 0.000 0.000 0.196 238 D C 2.306 178.458 176.300 -0.246 0.000 0.992 238 D CA 1.073 55.115 54.000 0.070 0.000 0.833 238 D CB -0.242 40.647 40.800 0.149 0.000 0.954 238 D HN 0.059 nan 8.370 nan 0.000 0.455 239 V N 0.241 120.052 119.914 -0.172 0.000 2.332 239 V HA -0.257 3.863 4.120 0.000 0.000 0.248 239 V C 2.054 177.972 176.094 -0.293 0.000 1.055 239 V CA 1.488 63.623 62.300 -0.275 0.000 1.038 239 V CB -0.452 31.248 31.823 -0.206 0.000 0.651 239 V HN 0.112 nan 8.190 nan 0.000 0.450 240 F N 0.078 120.079 119.950 0.086 0.000 2.262 240 F HA 0.181 4.708 4.527 0.001 0.000 0.292 240 F C 2.364 178.282 175.800 0.197 0.000 1.081 240 F CA 1.008 59.104 58.000 0.160 0.000 1.355 240 F CB -0.944 38.148 39.000 0.152 0.000 1.069 240 F HN 0.048 nan 8.300 nan 0.000 0.506 241 A N -0.444 122.567 122.820 0.318 0.000 2.067 241 A HA -0.095 4.225 4.320 0.000 0.000 0.219 241 A C 1.986 179.643 177.584 0.120 0.000 1.158 241 A CA 1.493 53.675 52.037 0.243 0.000 0.661 241 A CB -0.351 18.775 19.000 0.209 0.000 0.801 241 A HN 0.347 nan 8.150 nan 0.000 0.452 242 K N -2.147 118.285 120.400 0.053 0.000 2.324 242 K HA 0.167 4.487 4.320 0.000 0.000 0.222 242 K C 1.783 178.585 176.600 0.337 0.000 1.107 242 K CA 0.565 56.900 56.287 0.079 0.000 0.873 242 K CB -0.223 32.176 32.500 -0.169 0.000 1.270 242 K HN 0.344 nan 8.250 nan 0.000 0.456 243 Y N 1.348 121.838 120.300 0.316 0.000 2.133 243 Y HA -0.152 4.398 4.550 0.000 0.000 0.287 243 Y C 2.363 178.512 175.900 0.416 0.000 1.134 243 Y CA 0.360 58.665 58.100 0.343 0.000 1.133 243 Y CB -1.196 37.342 38.460 0.129 0.000 0.987 243 Y HN -0.200 nan 8.280 nan 0.000 0.502 244 V N 0.020 120.189 119.914 0.424 0.000 2.427 244 V HA -0.269 3.851 4.120 0.000 0.000 0.248 244 V C 2.199 178.584 176.094 0.484 0.000 1.051 244 V CA 1.687 64.237 62.300 0.417 0.000 1.048 244 V CB -0.993 31.030 31.823 0.334 0.000 0.666 244 V HN 0.393 nan 8.190 nan 0.000 0.456 245 F N 1.921 122.064 119.950 0.321 0.000 2.095 245 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 245 F C 2.278 178.215 175.800 0.229 0.000 1.104 245 F CA 1.727 59.881 58.000 0.258 0.000 1.232 245 F CB -0.612 38.528 39.000 0.233 0.000 0.987 245 F HN 0.067 nan 8.300 nan 0.000 0.475 246 A N 0.202 123.266 122.820 0.405 0.000 1.902 246 A HA -0.204 4.116 4.320 0.000 0.000 0.217 246 A C 2.173 179.701 177.584 -0.094 0.000 1.181 246 A CA 1.626 53.729 52.037 0.110 0.000 0.623 246 A CB -1.691 17.472 19.000 0.273 0.000 0.818 246 A HN 0.589 nan 8.150 nan 0.000 0.443 247 F N 0.716 120.747 119.950 0.135 0.000 2.102 247 F HA -0.166 4.360 4.527 -0.000 0.000 0.298 247 F C 1.962 177.806 175.800 0.073 0.000 1.105 247 F CA 1.755 59.877 58.000 0.204 0.000 1.239 247 F CB -0.297 38.932 39.000 0.383 0.000 0.991 247 F HN 0.187 nan 8.300 nan 0.000 0.474 248 I N -0.295 120.283 120.570 0.014 0.000 2.226 248 I HA -0.283 3.887 4.170 0.000 0.000 0.245 248 I C 2.344 178.345 176.117 -0.192 0.000 1.100 248 I CA 1.113 62.350 61.300 -0.105 0.000 1.374 248 I CB -0.590 37.422 38.000 0.021 0.000 1.057 248 I HN 0.274 nan 8.210 nan 0.000 0.413 249 L N 0.586 121.632 121.223 -0.294 0.000 1.994 249 L HA -0.191 4.149 4.340 0.000 0.000 0.208 249 L C 2.238 179.039 176.870 -0.116 0.000 1.071 249 L CA 1.778 56.462 54.840 -0.260 0.000 0.745 249 L CB -0.837 40.951 42.059 -0.453 0.000 0.892 249 L HN 0.135 nan 8.230 nan 0.000 0.431 250 L N 0.008 121.114 121.223 -0.196 0.000 2.046 250 L HA -0.195 4.145 4.340 0.000 0.000 0.208 250 L C 2.786 179.572 176.870 -0.140 0.000 1.077 250 L CA 2.025 56.781 54.840 -0.140 0.000 0.747 250 L CB -0.822 41.106 42.059 -0.220 0.000 0.896 250 L HN 0.413 nan 8.230 nan 0.000 0.432 251 R N -1.789 118.539 120.500 -0.287 0.000 2.096 251 R HA -0.259 4.081 4.340 0.000 0.000 0.235 251 R C 2.271 178.498 176.300 -0.121 0.000 1.127 251 R CA 1.976 57.898 56.100 -0.295 0.000 0.968 251 R CB -0.689 29.269 30.300 -0.571 0.000 0.861 251 R HN 0.570 nan 8.270 nan 0.000 0.440 252 W N 0.346 121.527 121.300 -0.197 0.000 2.379 252 W HA -0.166 4.495 4.660 0.000 0.000 0.307 252 W C 1.840 178.298 176.519 -0.100 0.000 1.200 252 W CA 1.387 58.658 57.345 -0.124 0.000 1.297 252 W CB -0.347 29.051 29.460 -0.103 0.000 1.140 252 W HN -0.154 nan 8.180 nan 0.000 0.507 253 V N 1.336 121.351 119.914 0.170 0.000 2.332 253 V HA -0.328 3.792 4.120 0.000 0.000 0.248 253 V C 2.442 178.442 176.094 -0.155 0.000 1.055 253 V CA 2.205 64.532 62.300 0.045 0.000 1.038 253 V CB -1.779 30.115 31.823 0.118 0.000 0.651 253 V HN 0.337 nan 8.190 nan 0.000 0.450 254 A N 0.069 122.800 122.820 -0.148 0.000 2.019 254 A HA -0.174 4.146 4.320 0.000 0.000 0.219 254 A C 1.857 179.306 177.584 -0.225 0.000 1.164 254 A CA 1.786 53.714 52.037 -0.181 0.000 0.644 254 A CB -0.440 18.461 19.000 -0.164 0.000 0.805 254 A HN 0.618 nan 8.150 nan 0.000 0.449 255 N N -0.171 118.351 118.700 -0.296 0.000 2.236 255 N HA 0.052 4.792 4.740 0.000 0.000 0.196 255 N C -0.211 175.021 175.510 -0.463 0.000 1.114 255 N CA 0.141 52.995 53.050 -0.327 0.000 0.859 255 N CB 0.285 38.595 38.487 -0.294 0.000 0.982 255 N HN 0.461 nan 8.380 nan 0.000 0.493 256 N N 0.285 118.632 118.700 -0.589 0.000 2.475 256 N HA 0.079 4.819 4.740 0.000 0.000 0.272 256 N C 0.182 175.446 175.510 -0.410 0.000 1.482 256 N CA 0.023 52.663 53.050 -0.683 0.000 0.863 256 N CB 0.838 38.401 38.487 -1.542 0.000 1.400 256 N HN 0.204 nan 8.380 nan 0.000 0.489 257 E N 0.880 120.922 120.200 -0.263 0.000 2.219 257 E HA -0.173 4.177 4.350 0.000 0.000 0.198 257 E C 1.498 178.032 176.600 -0.111 0.000 0.998 257 E CA 1.074 57.383 56.400 -0.151 0.000 0.818 257 E CB 0.138 29.759 29.700 -0.133 0.000 0.741 257 E HN 0.377 nan 8.360 nan 0.000 0.477 258 R N 0.305 120.728 120.500 -0.129 0.000 2.070 258 R HA -0.115 4.225 4.340 0.000 0.000 0.233 258 R C 2.738 179.006 176.300 -0.053 0.000 1.137 258 R CA 1.920 57.968 56.100 -0.087 0.000 0.945 258 R CB -1.080 29.164 30.300 -0.093 0.000 0.845 258 R HN 0.257 nan 8.270 nan 0.000 0.430 259 T N -0.987 113.535 114.554 -0.053 0.000 2.951 259 T HA 0.013 4.363 4.350 0.000 0.000 0.268 259 T C 2.078 176.815 174.700 0.062 0.000 1.073 259 T CA 0.829 62.942 62.100 0.021 0.000 1.134 259 T CB -0.253 68.666 68.868 0.086 0.000 0.884 259 T HN 0.000 nan 8.240 nan 0.000 0.479 260 V N 1.953 121.901 119.914 0.057 0.000 2.283 260 V HA 0.067 4.187 4.120 0.000 0.000 0.243 260 V C 3.262 179.376 176.094 0.034 0.000 1.039 260 V CA 1.505 63.858 62.300 0.089 0.000 1.016 260 V CB -1.325 30.564 31.823 0.111 0.000 0.650 260 V HN 0.645 nan 8.190 nan 0.000 0.449 261 A N 0.772 123.595 122.820 0.005 0.000 1.902 261 A HA -0.140 4.180 4.320 0.000 0.000 0.217 261 A C 2.178 179.759 177.584 -0.007 0.000 1.181 261 A CA 1.876 53.910 52.037 -0.006 0.000 0.623 261 A CB -0.826 18.161 19.000 -0.022 0.000 0.818 261 A HN 0.738 nan 8.150 nan 0.000 0.443 262 V N -2.951 116.958 119.914 -0.007 0.000 3.440 262 V HA 0.358 4.478 4.120 0.000 0.000 0.274 262 V C 1.009 177.100 176.094 -0.006 0.000 1.207 262 V CA 0.246 62.541 62.300 -0.008 0.000 1.183 262 V CB -2.303 29.515 31.823 -0.008 0.000 0.837 262 V HN 0.607 nan 8.190 nan 0.000 0.532 263 A N 0.000 122.818 122.820 -0.004 0.000 2.254 263 A HA 0.000 4.320 4.320 0.000 0.000 0.244 263 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 263 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 263 A HN 0.000 nan 8.150 nan 0.000 0.486