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 2zh2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.049 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 K N 0.165 120.534 120.400 -0.053 0.000 2.185 2 K HA 0.630 4.957 4.320 0.011 0.000 0.240 2 K C 1.203 177.757 176.600 -0.077 0.000 0.983 2 K CA -0.427 55.813 56.287 -0.078 0.000 0.873 2 K CB 2.501 34.964 32.500 -0.061 0.000 1.118 2 K HN -0.120 nan 8.250 nan 0.000 0.441 3 V N 2.019 121.866 119.914 -0.112 0.000 2.236 3 V HA -0.377 3.749 4.120 0.011 0.000 0.255 3 V C 1.936 178.044 176.094 0.024 0.000 1.068 3 V CA 2.471 64.737 62.300 -0.057 0.000 1.044 3 V CB -0.890 30.916 31.823 -0.029 0.000 0.653 3 V HN 0.888 nan 8.190 nan 0.000 0.448 4 E N 0.016 120.217 120.200 0.003 0.000 2.114 4 E HA -0.265 4.092 4.350 0.011 0.000 0.199 4 E C 2.198 178.790 176.600 -0.012 0.000 1.008 4 E CA 1.583 57.984 56.400 0.001 0.000 0.810 4 E CB -0.315 29.379 29.700 -0.011 0.000 0.739 4 E HN 0.732 nan 8.360 nan 0.000 0.456 5 E N 0.823 121.012 120.200 -0.018 0.000 2.047 5 E HA -0.162 4.195 4.350 0.011 0.000 0.191 5 E C 2.253 178.839 176.600 -0.023 0.000 0.987 5 E CA 0.820 57.207 56.400 -0.022 0.000 0.799 5 E CB -0.225 29.462 29.700 -0.021 0.000 0.752 5 E HN 0.311 nan 8.360 nan 0.000 0.449 6 I N 1.425 121.994 120.570 -0.000 0.000 2.286 6 I HA -0.190 3.986 4.170 0.011 0.000 0.248 6 I C 2.607 178.685 176.117 -0.066 0.000 1.115 6 I CA 0.930 62.242 61.300 0.021 0.000 1.392 6 I CB -1.176 36.903 38.000 0.132 0.000 1.065 6 I HN 0.058 nan 8.210 nan 0.000 0.418 7 L N 0.133 121.322 121.223 -0.057 0.000 2.201 7 L HA -0.133 4.214 4.340 0.011 0.000 0.212 7 L C 2.561 179.304 176.870 -0.212 0.000 1.105 7 L CA 0.919 55.643 54.840 -0.194 0.000 0.775 7 L CB -0.549 41.460 42.059 -0.083 0.000 0.913 7 L HN 0.215 nan 8.230 nan 0.000 0.440 8 E N 0.889 121.013 120.200 -0.127 0.000 2.106 8 E HA -0.180 4.177 4.350 0.011 0.000 0.192 8 E C 2.085 178.605 176.600 -0.132 0.000 0.984 8 E CA 1.144 57.477 56.400 -0.112 0.000 0.806 8 E CB 0.017 29.674 29.700 -0.071 0.000 0.750 8 E HN 0.534 nan 8.360 nan 0.000 0.458 9 K N 0.347 120.667 120.400 -0.133 0.000 2.228 9 K HA 0.073 4.400 4.320 0.011 0.000 0.202 9 K C 2.124 178.607 176.600 -0.196 0.000 1.051 9 K CA 0.786 56.998 56.287 -0.125 0.000 0.960 9 K CB 0.053 32.505 32.500 -0.079 0.000 0.743 9 K HN -0.012 nan 8.250 nan 0.000 0.458 10 A N 1.825 124.438 122.820 -0.345 0.000 1.898 10 A HA -0.084 4.243 4.320 0.011 0.000 0.216 10 A C 2.110 179.452 177.584 -0.404 0.000 1.181 10 A CA 0.992 52.686 52.037 -0.573 0.000 0.620 10 A CB -0.685 17.519 19.000 -1.327 0.000 0.819 10 A HN 0.145 nan 8.150 nan 0.000 0.442 11 L N -0.490 120.531 121.223 -0.337 0.000 2.197 11 L HA -0.267 4.079 4.340 0.011 0.000 0.215 11 L C 2.540 179.307 176.870 -0.171 0.000 1.095 11 L CA 1.875 56.574 54.840 -0.236 0.000 0.764 11 L CB -0.437 41.510 42.059 -0.186 0.000 0.897 11 L HN 0.614 nan 8.230 nan 0.000 0.436 12 E N 0.301 120.411 120.200 -0.151 0.000 2.268 12 E HA -0.169 4.188 4.350 0.011 0.000 0.195 12 E C 2.056 178.608 176.600 -0.081 0.000 0.995 12 E CA 0.622 56.962 56.400 -0.100 0.000 0.836 12 E CB 0.133 29.784 29.700 -0.081 0.000 0.763 12 E HN 0.545 nan 8.360 nan 0.000 0.491 13 L N -0.189 120.976 121.223 -0.097 0.000 2.513 13 L HA 0.051 4.398 4.340 0.011 0.000 0.222 13 L C 2.049 178.891 176.870 -0.047 0.000 1.096 13 L CA 0.066 54.876 54.840 -0.051 0.000 0.857 13 L CB 0.580 42.623 42.059 -0.027 0.000 1.026 13 L HN 0.128 nan 8.230 nan 0.000 0.469 14 V N -3.877 115.983 119.914 -0.091 0.000 3.212 14 V HA 0.253 4.380 4.120 0.011 0.000 0.244 14 V C 1.081 177.097 176.094 -0.130 0.000 1.151 14 V CA -0.118 62.127 62.300 -0.092 0.000 1.119 14 V CB 0.135 31.893 31.823 -0.107 0.000 0.838 14 V HN 0.053 nan 8.190 nan 0.000 0.470 15 I N 3.009 123.491 120.570 -0.146 0.000 2.371 15 I HA 0.370 4.547 4.170 0.011 0.000 0.290 15 I C -2.311 173.716 176.117 -0.149 0.000 1.028 15 I CA -1.825 59.364 61.300 -0.185 0.000 1.345 15 I CB 1.086 38.987 38.000 -0.164 0.000 1.407 15 I HN 0.110 nan 8.210 nan 0.000 0.501 16 P HA 0.014 nan 4.420 nan 0.000 0.268 16 P C -1.193 176.095 177.300 -0.021 0.000 1.205 16 P CA -0.209 62.853 63.100 -0.064 0.000 0.771 16 P CB 0.337 31.999 31.700 -0.063 0.000 0.858 17 D N 0.768 121.189 120.400 0.035 0.000 2.283 17 D HA 0.046 4.693 4.640 0.011 0.000 0.248 17 D C 0.891 177.229 176.300 0.063 0.000 1.072 17 D CA -0.488 53.532 54.000 0.033 0.000 0.929 17 D CB 0.305 41.125 40.800 0.034 0.000 1.182 17 D HN 0.359 nan 8.370 nan 0.000 0.433 18 E N 0.155 120.384 120.200 0.048 0.000 2.164 18 E HA -0.284 4.073 4.350 0.011 0.000 0.206 18 E C 1.395 178.046 176.600 0.084 0.000 1.032 18 E CA 1.664 58.101 56.400 0.062 0.000 0.832 18 E CB 0.015 29.740 29.700 0.041 0.000 0.742 18 E HN 0.570 nan 8.360 nan 0.000 0.460 19 E N 0.433 120.678 120.200 0.076 0.000 2.268 19 E HA -0.163 4.194 4.350 0.011 0.000 0.195 19 E C 1.608 178.272 176.600 0.106 0.000 0.995 19 E CA 0.729 57.175 56.400 0.078 0.000 0.836 19 E CB -0.174 29.562 29.700 0.060 0.000 0.763 19 E HN 0.441 nan 8.360 nan 0.000 0.491 20 E N 0.625 120.912 120.200 0.145 0.000 2.216 20 E HA -0.023 4.334 4.350 0.011 0.000 0.192 20 E C 1.977 178.760 176.600 0.306 0.000 0.973 20 E CA 0.212 56.737 56.400 0.208 0.000 0.851 20 E CB 0.465 30.315 29.700 0.249 0.000 0.804 20 E HN 0.012 nan 8.360 nan 0.000 0.477 21 V N 1.331 121.437 119.914 0.319 0.000 2.270 21 V HA -0.212 3.915 4.120 0.011 0.000 0.245 21 V C 2.566 178.824 176.094 0.275 0.000 1.043 21 V CA 1.939 64.485 62.300 0.411 0.000 1.014 21 V CB -0.508 31.480 31.823 0.276 0.000 0.645 21 V HN 0.236 nan 8.190 nan 0.000 0.447 22 R N 0.346 120.951 120.500 0.175 0.000 2.083 22 R HA -0.248 4.099 4.340 0.011 0.000 0.237 22 R C 2.442 178.803 176.300 0.101 0.000 1.137 22 R CA 2.217 58.390 56.100 0.121 0.000 0.951 22 R CB -0.315 30.037 30.300 0.085 0.000 0.851 22 R HN 0.451 nan 8.270 nan 0.000 0.434 23 K N -0.761 119.696 120.400 0.094 0.000 2.113 23 K HA -0.134 4.192 4.320 0.011 0.000 0.208 23 K C 1.861 178.471 176.600 0.017 0.000 1.047 23 K CA 1.749 58.067 56.287 0.051 0.000 0.928 23 K CB -0.298 32.232 32.500 0.049 0.000 0.716 23 K HN 0.386 nan 8.250 nan 0.000 0.446 24 G N 0.640 109.467 108.800 0.045 0.000 2.408 24 G HA2 -0.172 3.795 3.960 0.011 0.000 0.215 24 G HA3 -0.172 3.795 3.960 0.011 0.000 0.215 24 G C 1.412 176.337 174.900 0.042 0.000 1.156 24 G CA 0.008 45.074 45.100 -0.057 0.000 0.793 24 G HN 0.149 nan 8.290 nan 0.000 0.535 25 R N 0.653 121.256 120.500 0.172 0.000 2.096 25 R HA -0.036 4.311 4.340 0.011 0.000 0.235 25 R C 2.287 178.631 176.300 0.073 0.000 1.127 25 R CA 1.188 57.387 56.100 0.165 0.000 0.968 25 R CB -0.560 29.824 30.300 0.140 0.000 0.861 25 R HN 0.484 nan 8.270 nan 0.000 0.440 26 E N 0.143 120.370 120.200 0.044 0.000 2.150 26 E HA -0.066 4.291 4.350 0.011 0.000 0.193 26 E C 1.893 178.489 176.600 -0.006 0.000 0.985 26 E CA 0.987 57.397 56.400 0.018 0.000 0.814 26 E CB 0.040 29.750 29.700 0.017 0.000 0.752 26 E HN 0.332 nan 8.360 nan 0.000 0.466 27 A N 1.168 123.966 122.820 -0.036 0.000 1.874 27 A HA -0.204 4.123 4.320 0.011 0.000 0.214 27 A C 2.064 179.625 177.584 -0.037 0.000 1.189 27 A CA 1.415 53.413 52.037 -0.066 0.000 0.615 27 A CB -0.418 18.500 19.000 -0.137 0.000 0.830 27 A HN 0.281 nan 8.150 nan 0.000 0.443 28 E N -0.040 120.143 120.200 -0.028 0.000 2.058 28 E HA -0.303 4.054 4.350 0.011 0.000 0.194 28 E C 1.907 178.520 176.600 0.020 0.000 0.997 28 E CA 1.741 58.178 56.400 0.061 0.000 0.801 28 E CB -0.202 29.554 29.700 0.093 0.000 0.746 28 E HN 0.567 nan 8.360 nan 0.000 0.450 29 E N 0.880 121.084 120.200 0.006 0.000 2.023 29 E HA -0.271 4.086 4.350 0.011 0.000 0.196 29 E C 1.963 178.567 176.600 0.007 0.000 1.003 29 E CA 1.965 58.365 56.400 0.000 0.000 0.809 29 E CB -0.333 29.372 29.700 0.008 0.000 0.755 29 E HN 0.276 nan 8.360 nan 0.000 0.449 30 E N -0.210 119.992 120.200 0.003 0.000 2.118 30 E HA -0.170 4.187 4.350 0.011 0.000 0.195 30 E C 1.942 178.538 176.600 -0.005 0.000 0.992 30 E CA 1.140 57.538 56.400 -0.003 0.000 0.804 30 E CB -0.563 29.131 29.700 -0.011 0.000 0.741 30 E HN 0.353 nan 8.360 nan 0.000 0.458 31 L N 0.634 121.858 121.223 0.002 0.000 2.141 31 L HA -0.043 4.304 4.340 0.011 0.000 0.209 31 L C 2.156 179.018 176.870 -0.013 0.000 1.094 31 L CA 1.656 56.490 54.840 -0.010 0.000 0.763 31 L CB -0.366 41.703 42.059 0.016 0.000 0.908 31 L HN 0.045 nan 8.230 nan 0.000 0.437 32 R N -0.489 120.035 120.500 0.040 0.000 2.075 32 R HA -0.102 4.245 4.340 0.011 0.000 0.232 32 R C 2.290 178.625 176.300 0.058 0.000 1.126 32 R CA 1.517 57.650 56.100 0.054 0.000 0.963 32 R CB -0.292 30.049 30.300 0.069 0.000 0.858 32 R HN 0.464 nan 8.270 nan 0.000 0.435 33 R N 0.247 120.767 120.500 0.033 0.000 2.073 33 R HA -0.066 4.281 4.340 0.011 0.000 0.234 33 R C 2.355 178.667 176.300 0.020 0.000 1.134 33 R CA 1.170 57.289 56.100 0.031 0.000 0.952 33 R CB -0.310 30.000 30.300 0.017 0.000 0.850 33 R HN 0.195 nan 8.270 nan 0.000 0.433 34 R N 0.665 121.162 120.500 -0.004 0.000 2.105 34 R HA -0.105 4.242 4.340 0.011 0.000 0.239 34 R C 2.301 178.590 176.300 -0.018 0.000 1.135 34 R CA 1.210 57.299 56.100 -0.018 0.000 0.967 34 R CB -0.358 29.919 30.300 -0.040 0.000 0.861 34 R HN 0.235 nan 8.270 nan 0.000 0.442 35 L N 0.322 121.527 121.223 -0.031 0.000 2.095 35 L HA -0.122 4.225 4.340 0.011 0.000 0.204 35 L C 1.603 178.549 176.870 0.128 0.000 1.080 35 L CA 0.949 55.784 54.840 -0.009 0.000 0.759 35 L CB -0.249 41.669 42.059 -0.234 0.000 0.914 35 L HN 0.103 nan 8.230 nan 0.000 0.439 36 D N -0.308 120.184 120.400 0.153 0.000 2.183 36 D HA -0.193 4.454 4.640 0.011 0.000 0.203 36 D C 1.963 178.305 176.300 0.071 0.000 0.969 36 D CA 0.829 54.913 54.000 0.140 0.000 0.842 36 D CB 0.032 40.906 40.800 0.123 0.000 0.957 36 D HN 0.197 nan 8.370 nan 0.000 0.484 37 E N 0.585 120.814 120.200 0.048 0.000 2.268 37 E HA -0.070 4.287 4.350 0.011 0.000 0.195 37 E C 1.664 178.279 176.600 0.024 0.000 0.995 37 E CA 0.593 57.010 56.400 0.028 0.000 0.836 37 E CB -0.169 29.541 29.700 0.017 0.000 0.763 37 E HN 0.283 nan 8.360 nan 0.000 0.491 38 L N -1.241 120.000 121.223 0.030 0.000 2.607 38 L HA 0.335 4.682 4.340 0.011 0.000 0.228 38 L C 1.168 178.056 176.870 0.030 0.000 1.123 38 L CA 0.123 54.977 54.840 0.023 0.000 0.890 38 L CB -0.122 41.946 42.059 0.014 0.000 1.103 38 L HN 0.264 nan 8.230 nan 0.000 0.468 39 G N 1.695 110.521 108.800 0.043 0.000 2.338 39 G HA2 -0.233 3.734 3.960 0.011 0.000 0.296 39 G HA3 -0.233 3.734 3.960 0.011 0.000 0.296 39 G C -0.042 174.873 174.900 0.025 0.000 1.040 39 G CA 0.063 45.182 45.100 0.032 0.000 1.004 39 G HN 0.127 nan 8.290 nan 0.000 0.509 40 V N -0.019 119.939 119.914 0.073 0.000 2.509 40 V HA 0.382 4.509 4.120 0.011 0.000 0.284 40 V C 0.772 176.897 176.094 0.051 0.000 1.047 40 V CA -0.572 61.763 62.300 0.057 0.000 0.952 40 V CB 1.931 33.810 31.823 0.093 0.000 0.988 40 V HN 0.481 nan 8.190 nan 0.000 0.469 41 E N 4.064 124.208 120.200 -0.093 0.000 2.089 41 E HA 0.411 4.768 4.350 0.011 0.000 0.284 41 E C -1.439 175.081 176.600 -0.133 0.000 1.023 41 E CA -0.301 55.986 56.400 -0.188 0.000 0.819 41 E CB 0.617 30.194 29.700 -0.205 0.000 1.076 41 E HN 0.657 nan 8.360 nan 0.000 0.396 42 Y N 1.100 121.357 120.300 -0.072 0.000 2.705 42 Y HA 0.753 5.309 4.550 0.011 0.000 0.332 42 Y C -1.452 174.468 175.900 0.033 0.000 1.157 42 Y CA -1.316 56.760 58.100 -0.040 0.000 1.091 42 Y CB 1.191 39.636 38.460 -0.025 0.000 1.301 42 Y HN 0.092 nan 8.280 nan 0.000 0.488 43 V N 1.608 121.714 119.914 0.320 0.000 2.817 43 V HA 0.490 4.617 4.120 0.011 0.000 0.303 43 V C -1.952 174.311 176.094 0.282 0.000 1.151 43 V CA -0.940 61.516 62.300 0.260 0.000 0.929 43 V CB 1.487 33.350 31.823 0.067 0.000 1.030 43 V HN 0.669 nan 8.190 nan 0.000 0.427 44 F N 6.441 126.434 119.950 0.071 0.000 2.438 44 F HA 0.625 5.158 4.527 0.011 0.000 0.356 44 F C 0.639 176.253 175.800 -0.310 0.000 1.099 44 F CA 0.376 58.369 58.000 -0.011 0.000 1.185 44 F CB 1.537 40.585 39.000 0.080 0.000 1.115 44 F HN 0.567 nan 8.300 nan 0.000 0.526 45 V N 0.651 120.427 119.914 -0.230 0.000 3.139 45 V HA 1.060 5.187 4.120 0.011 0.000 0.310 45 V C 0.252 176.257 176.094 -0.149 0.000 1.260 45 V CA -0.477 61.519 62.300 -0.507 0.000 1.064 45 V CB 0.976 32.426 31.823 -0.622 0.000 1.160 45 V HN 1.288 nan 8.190 nan 0.000 0.470 46 G N 0.487 109.254 108.800 -0.054 0.000 2.796 46 G HA2 -0.075 3.892 3.960 0.011 0.000 0.571 46 G HA3 -0.075 3.892 3.960 0.011 0.000 0.571 46 G C 0.619 175.654 174.900 0.224 0.000 1.370 46 G CA 0.614 45.776 45.100 0.103 0.000 0.856 46 G HN 2.374 nan 8.290 nan 0.000 0.538 47 S N -1.459 114.406 115.700 0.275 0.000 2.447 47 S HA -0.101 4.376 4.470 0.011 0.000 0.233 47 S C 1.890 176.746 174.600 0.427 0.000 1.006 47 S CA 1.978 60.385 58.200 0.345 0.000 0.957 47 S CB -0.222 63.209 63.200 0.384 0.000 0.773 47 S HN 1.345 nan 8.310 nan 0.000 0.507 48 Y N 2.579 123.044 120.300 0.274 0.000 2.263 48 Y HA 0.210 4.767 4.550 0.011 0.000 0.292 48 Y C 2.512 178.577 175.900 0.275 0.000 1.130 48 Y CA 0.624 58.847 58.100 0.205 0.000 1.179 48 Y CB -0.847 37.557 38.460 -0.093 0.000 0.998 48 Y HN 0.305 nan 8.280 nan 0.000 0.532 49 A N 0.439 123.362 122.820 0.172 0.000 2.015 49 A HA -0.093 4.234 4.320 0.011 0.000 0.219 49 A C 1.993 179.665 177.584 0.147 0.000 1.163 49 A CA 1.415 53.539 52.037 0.145 0.000 0.646 49 A CB -0.380 18.726 19.000 0.177 0.000 0.806 49 A HN 0.514 nan 8.150 nan 0.000 0.448 50 R N -0.406 120.213 120.500 0.198 0.000 2.507 50 R HA 0.131 4.478 4.340 0.011 0.000 0.298 50 R C -0.486 175.888 176.300 0.123 0.000 0.999 50 R CA -0.143 56.059 56.100 0.170 0.000 1.082 50 R CB 0.087 30.512 30.300 0.208 0.000 1.246 50 R HN 0.450 nan 8.270 nan 0.000 0.553 51 N N 1.632 120.415 118.700 0.139 0.000 2.699 51 N HA -0.159 4.588 4.740 0.011 0.000 0.256 51 N C 0.088 175.599 175.510 0.002 0.000 0.993 51 N CA 1.739 54.855 53.050 0.111 0.000 0.759 51 N CB -0.877 37.604 38.487 -0.011 0.000 0.906 51 N HN 0.461 nan 8.380 nan 0.000 0.541 52 T N -4.836 109.803 114.554 0.141 0.000 3.170 52 T HA 0.205 4.562 4.350 0.011 0.000 0.288 52 T C 0.243 175.025 174.700 0.136 0.000 0.992 52 T CA -0.742 61.404 62.100 0.076 0.000 0.909 52 T CB -0.379 68.573 68.868 0.140 0.000 1.133 52 T HN 0.398 nan 8.240 nan 0.000 0.530 53 W N 1.927 123.288 121.300 0.102 0.000 2.266 53 W HA 0.681 5.347 4.660 0.011 0.000 0.317 53 W C -0.458 176.114 176.519 0.087 0.000 1.310 53 W CA -1.945 55.475 57.345 0.127 0.000 1.207 53 W CB 0.298 29.866 29.460 0.180 0.000 1.199 53 W HN 0.001 nan 8.180 nan 0.000 0.544 54 L N 5.343 126.671 121.223 0.175 0.000 2.453 54 L HA 0.119 4.466 4.340 0.011 0.000 0.272 54 L C 1.014 177.955 176.870 0.119 0.000 1.182 54 L CA -0.243 54.618 54.840 0.035 0.000 0.858 54 L CB 0.194 42.259 42.059 0.009 0.000 1.120 54 L HN 0.650 nan 8.230 nan 0.000 0.474 55 K N 3.907 124.308 120.400 0.000 0.000 2.543 55 K HA 0.065 4.392 4.320 0.011 0.000 0.279 55 K C 1.021 177.721 176.600 0.166 0.000 1.001 55 K CA 1.080 57.413 56.287 0.076 0.000 1.088 55 K CB -0.124 32.384 32.500 0.014 0.000 0.863 55 K HN 0.960 nan 8.250 nan 0.000 0.488 56 G N 2.362 111.299 108.800 0.229 0.000 2.184 56 G HA2 -0.249 3.718 3.960 0.011 0.000 0.264 56 G HA3 -0.249 3.718 3.960 0.011 0.000 0.264 56 G C 0.185 175.207 174.900 0.203 0.000 0.975 56 G CA 0.479 45.691 45.100 0.187 0.000 0.642 56 G HN 0.562 nan 8.290 nan 0.000 0.536 57 S N -0.113 115.764 115.700 0.296 0.000 2.592 57 S HA 0.443 4.920 4.470 0.011 0.000 0.243 57 S C 0.063 174.796 174.600 0.222 0.000 1.160 57 S CA -0.413 57.943 58.200 0.259 0.000 1.145 57 S CB 0.627 63.994 63.200 0.279 0.000 0.909 57 S HN 0.625 nan 8.310 nan 0.000 0.487 58 L N 3.125 124.403 121.223 0.092 0.000 2.418 58 L HA 0.444 4.791 4.340 0.011 0.000 0.274 58 L C 0.030 176.788 176.870 -0.186 0.000 1.135 58 L CA 0.895 55.574 54.840 -0.268 0.000 0.870 58 L CB 0.190 42.091 42.059 -0.263 0.000 1.154 58 L HN 0.311 nan 8.230 nan 0.000 0.462 59 E N 4.876 124.941 120.200 -0.224 0.000 2.343 59 E HA 0.343 4.700 4.350 0.011 0.000 0.286 59 E C -1.462 175.041 176.600 -0.161 0.000 0.915 59 E CA -0.546 55.778 56.400 -0.127 0.000 0.784 59 E CB 1.175 30.893 29.700 0.030 0.000 1.251 59 E HN 0.624 nan 8.360 nan 0.000 0.407 60 I N 3.421 123.842 120.570 -0.248 0.000 2.342 60 I HA 0.225 4.402 4.170 0.011 0.000 0.291 60 I C -0.393 175.634 176.117 -0.150 0.000 1.010 60 I CA -0.373 60.779 61.300 -0.246 0.000 1.308 60 I CB 0.954 38.724 38.000 -0.383 0.000 1.400 60 I HN 0.351 nan 8.210 nan 0.000 0.488 61 D N 6.646 127.000 120.400 -0.077 0.000 2.349 61 D HA 0.299 4.946 4.640 0.011 0.000 0.232 61 D C -0.700 175.496 176.300 -0.174 0.000 1.071 61 D CA -0.120 53.859 54.000 -0.034 0.000 0.832 61 D CB 2.391 43.239 40.800 0.080 0.000 1.086 61 D HN 0.061 nan 8.370 nan 0.000 0.504 62 V N 4.139 123.927 119.914 -0.209 0.000 2.334 62 V HA 0.282 4.409 4.120 0.011 0.000 0.281 62 V C -0.428 175.669 176.094 0.004 0.000 1.016 62 V CA -0.715 61.385 62.300 -0.334 0.000 0.832 62 V CB 0.611 32.099 31.823 -0.559 0.000 0.999 62 V HN 0.302 nan 8.190 nan 0.000 0.439 63 F N 5.084 124.925 119.950 -0.180 0.000 2.405 63 F HA 0.539 5.073 4.527 0.011 0.000 0.355 63 F C 0.294 176.057 175.800 -0.061 0.000 1.121 63 F CA -1.016 56.922 58.000 -0.105 0.000 1.112 63 F CB 1.423 40.367 39.000 -0.094 0.000 1.126 63 F HN 0.254 nan 8.300 nan 0.000 0.481 64 L N 5.366 126.590 121.223 0.002 0.000 2.278 64 L HA 0.248 4.595 4.340 0.011 0.000 0.287 64 L C -0.611 176.168 176.870 -0.152 0.000 1.072 64 L CA -0.814 53.974 54.840 -0.088 0.000 0.819 64 L CB 0.424 42.393 42.059 -0.149 0.000 1.176 64 L HN 0.235 nan 8.230 nan 0.000 0.435 65 L N 4.552 125.656 121.223 -0.198 0.000 2.385 65 L HA 0.307 4.653 4.340 0.011 0.000 0.281 65 L C -0.159 176.483 176.870 -0.379 0.000 1.106 65 L CA 0.519 55.250 54.840 -0.182 0.000 0.856 65 L CB -0.334 41.644 42.059 -0.134 0.000 1.186 65 L HN 0.336 nan 8.230 nan 0.000 0.453 66 F N 4.639 124.468 119.950 -0.202 0.000 2.450 66 F HA 0.482 5.016 4.527 0.011 0.000 0.332 66 F C -1.653 173.932 175.800 -0.359 0.000 1.093 66 F CA -2.374 55.403 58.000 -0.373 0.000 1.003 66 F CB 1.244 39.983 39.000 -0.434 0.000 1.151 66 F HN 0.372 nan 8.300 nan 0.000 0.474 67 P HA -0.051 nan 4.420 nan 0.000 0.264 67 P C 0.696 178.003 177.300 0.012 0.000 1.183 67 P CA 0.430 63.358 63.100 -0.287 0.000 0.763 67 P CB 0.565 31.970 31.700 -0.491 0.000 0.807 68 E N 2.198 122.464 120.200 0.111 0.000 2.114 68 E HA -0.303 4.054 4.350 0.011 0.000 0.199 68 E C 0.984 177.652 176.600 0.112 0.000 1.008 68 E CA 1.632 58.101 56.400 0.116 0.000 0.810 68 E CB 0.047 29.768 29.700 0.035 0.000 0.739 68 E HN 0.446 nan 8.360 nan 0.000 0.456 69 E N -0.210 120.110 120.200 0.199 0.000 2.204 69 E HA -0.071 4.286 4.350 0.011 0.000 0.194 69 E C 0.128 176.954 176.600 0.377 0.000 0.989 69 E CA 0.265 56.806 56.400 0.235 0.000 0.824 69 E CB -0.173 29.661 29.700 0.223 0.000 0.756 69 E HN 0.151 nan 8.360 nan 0.000 0.477 70 F N 1.410 121.469 119.950 0.183 0.000 2.628 70 F HA -0.044 4.489 4.527 0.011 0.000 0.346 70 F C 1.368 177.267 175.800 0.165 0.000 1.188 70 F CA -0.662 57.429 58.000 0.152 0.000 1.376 70 F CB -0.035 39.035 39.000 0.118 0.000 1.104 70 F HN -0.178 nan 8.300 nan 0.000 0.616 71 S N 1.670 117.484 115.700 0.189 0.000 2.632 71 S HA 0.273 4.749 4.470 0.011 0.000 0.271 71 S C 0.970 175.618 174.600 0.080 0.000 1.260 71 S CA -0.512 57.752 58.200 0.108 0.000 1.010 71 S CB 1.351 64.555 63.200 0.006 0.000 0.965 71 S HN 0.731 nan 8.310 nan 0.000 0.534 72 K N 0.750 121.181 120.400 0.053 0.000 2.152 72 K HA -0.189 4.138 4.320 0.011 0.000 0.206 72 K C 1.082 177.593 176.600 -0.149 0.000 1.048 72 K CA 1.789 58.024 56.287 -0.087 0.000 0.933 72 K CB -0.386 32.019 32.500 -0.158 0.000 0.721 72 K HN 0.588 nan 8.250 nan 0.000 0.447 73 E N 1.306 121.454 120.200 -0.087 0.000 2.085 73 E HA -0.153 4.204 4.350 0.011 0.000 0.194 73 E C 2.042 178.563 176.600 -0.130 0.000 0.994 73 E CA 1.284 57.632 56.400 -0.087 0.000 0.801 73 E CB -0.117 29.551 29.700 -0.055 0.000 0.743 73 E HN 0.363 nan 8.360 nan 0.000 0.453 74 E N 0.045 120.156 120.200 -0.148 0.000 2.051 74 E HA -0.138 4.219 4.350 0.011 0.000 0.192 74 E C 2.076 178.468 176.600 -0.347 0.000 0.991 74 E CA 0.647 56.934 56.400 -0.189 0.000 0.799 74 E CB -0.195 29.396 29.700 -0.182 0.000 0.748 74 E HN 0.168 nan 8.360 nan 0.000 0.449 75 L N 1.078 121.988 121.223 -0.521 0.000 2.013 75 L HA -0.241 4.106 4.340 0.011 0.000 0.212 75 L C 2.594 179.155 176.870 -0.515 0.000 1.073 75 L CA 2.084 56.361 54.840 -0.939 0.000 0.753 75 L CB -0.742 40.828 42.059 -0.815 0.000 0.890 75 L HN 0.167 nan 8.230 nan 0.000 0.432 76 R N -0.428 119.894 120.500 -0.297 0.000 2.073 76 R HA -0.110 4.237 4.340 0.011 0.000 0.229 76 R C 1.978 178.205 176.300 -0.122 0.000 1.120 76 R CA 1.467 57.468 56.100 -0.164 0.000 0.967 76 R CB -0.692 29.549 30.300 -0.099 0.000 0.862 76 R HN 0.352 nan 8.270 nan 0.000 0.436 77 E N 0.304 120.432 120.200 -0.119 0.000 2.028 77 E HA -0.081 4.276 4.350 0.011 0.000 0.191 77 E C 2.232 178.803 176.600 -0.049 0.000 0.988 77 E CA 0.951 57.306 56.400 -0.075 0.000 0.799 77 E CB 0.005 29.665 29.700 -0.067 0.000 0.755 77 E HN 0.220 nan 8.360 nan 0.000 0.447 78 R N 0.214 120.690 120.500 -0.039 0.000 2.115 78 R HA -0.036 4.310 4.340 0.011 0.000 0.230 78 R C 2.312 178.697 176.300 0.143 0.000 1.111 78 R CA 1.134 57.287 56.100 0.089 0.000 0.976 78 R CB -0.865 29.582 30.300 0.246 0.000 0.870 78 R HN 0.277 nan 8.270 nan 0.000 0.445 79 G N 1.144 109.996 108.800 0.086 0.000 2.408 79 G HA2 -0.206 3.761 3.960 0.011 0.000 0.217 79 G HA3 -0.206 3.761 3.960 0.011 0.000 0.217 79 G C 1.409 176.310 174.900 0.001 0.000 1.150 79 G CA 0.226 45.391 45.100 0.107 0.000 0.776 79 G HN 0.261 nan 8.290 nan 0.000 0.542 80 L N 0.266 121.463 121.223 -0.044 0.000 2.217 80 L HA 0.185 4.532 4.340 0.011 0.000 0.211 80 L C 2.316 179.109 176.870 -0.129 0.000 1.107 80 L CA 1.711 56.496 54.840 -0.092 0.000 0.783 80 L CB -0.232 41.777 42.059 -0.083 0.000 0.919 80 L HN 0.100 nan 8.230 nan 0.000 0.442 81 E N -0.117 120.038 120.200 -0.076 0.000 2.076 81 E HA -0.064 4.293 4.350 0.011 0.000 0.190 81 E C 2.146 178.694 176.600 -0.087 0.000 0.979 81 E CA 1.485 57.836 56.400 -0.082 0.000 0.807 81 E CB -0.222 29.459 29.700 -0.030 0.000 0.761 81 E HN 0.564 nan 8.360 nan 0.000 0.454 82 I N -0.228 120.316 120.570 -0.043 0.000 2.163 82 I HA -0.175 4.001 4.170 0.011 0.000 0.240 82 I C 2.322 178.383 176.117 -0.093 0.000 1.081 82 I CA 1.310 62.582 61.300 -0.047 0.000 1.353 82 I CB -0.593 37.402 38.000 -0.009 0.000 1.054 82 I HN 0.187 nan 8.210 nan 0.000 0.407 83 G N 0.607 109.343 108.800 -0.105 0.000 2.442 83 G HA2 -0.278 3.689 3.960 0.011 0.000 0.219 83 G HA3 -0.278 3.689 3.960 0.011 0.000 0.219 83 G C 1.730 176.518 174.900 -0.186 0.000 1.141 83 G CA 0.670 45.695 45.100 -0.126 0.000 0.763 83 G HN 0.288 nan 8.290 nan 0.000 0.554 84 K N 0.391 120.610 120.400 -0.301 0.000 2.057 84 K HA 0.022 4.349 4.320 0.011 0.000 0.207 84 K C 2.736 179.191 176.600 -0.242 0.000 1.049 84 K CA 1.185 57.183 56.287 -0.482 0.000 0.931 84 K CB -0.216 31.943 32.500 -0.567 0.000 0.714 84 K HN 0.251 nan 8.250 nan 0.000 0.440 85 A N 0.183 122.908 122.820 -0.159 0.000 2.067 85 A HA -0.032 4.295 4.320 0.011 0.000 0.217 85 A C 1.849 179.389 177.584 -0.073 0.000 1.156 85 A CA 0.909 52.889 52.037 -0.095 0.000 0.683 85 A CB 0.087 19.044 19.000 -0.072 0.000 0.808 85 A HN 0.230 nan 8.150 nan 0.000 0.455 86 V N -0.449 119.414 119.914 -0.086 0.000 3.660 86 V HA 0.332 4.459 4.120 0.011 0.000 0.276 86 V C 0.333 176.384 176.094 -0.073 0.000 1.317 86 V CA 0.193 62.446 62.300 -0.078 0.000 1.097 86 V CB -0.265 31.498 31.823 -0.101 0.000 0.863 86 V HN 0.396 nan 8.190 nan 0.000 0.438 87 L N -0.029 121.157 121.223 -0.063 0.000 2.344 87 L HA 0.487 4.834 4.340 0.011 0.000 0.272 87 L C 1.053 177.918 176.870 -0.008 0.000 1.035 87 L CA -0.585 54.230 54.840 -0.041 0.000 0.807 87 L CB 1.020 43.066 42.059 -0.021 0.000 1.237 87 L HN 0.011 nan 8.230 nan 0.000 0.442 88 D N -0.225 120.168 120.400 -0.012 0.000 2.149 88 D HA -0.004 4.643 4.640 0.011 0.000 0.201 88 D C -0.042 176.277 176.300 0.031 0.000 0.972 88 D CA 1.079 55.081 54.000 0.002 0.000 0.835 88 D CB 0.367 41.159 40.800 -0.012 0.000 0.966 88 D HN 0.419 nan 8.370 nan 0.000 0.476 89 S N -1.019 114.704 115.700 0.037 0.000 2.540 89 S HA 0.497 4.974 4.470 0.011 0.000 0.275 89 S C -0.946 173.713 174.600 0.098 0.000 1.123 89 S CA -0.986 57.245 58.200 0.052 0.000 0.907 89 S CB 1.912 65.112 63.200 -0.001 0.000 1.081 89 S HN 0.253 nan 8.310 nan 0.000 0.476 90 Y N 0.048 120.328 120.300 -0.034 0.000 2.605 90 Y HA 0.869 5.425 4.550 0.011 0.000 0.343 90 Y C -0.792 175.097 175.900 -0.018 0.000 1.036 90 Y CA -0.873 57.205 58.100 -0.037 0.000 1.065 90 Y CB 1.468 39.899 38.460 -0.048 0.000 1.288 90 Y HN 0.724 nan 8.280 nan 0.000 0.481 91 E N 2.731 122.941 120.200 0.016 0.000 2.388 91 E HA 0.344 4.701 4.350 0.011 0.000 0.289 91 E C -1.930 174.670 176.600 0.000 0.000 0.944 91 E CA -0.672 55.675 56.400 -0.087 0.000 0.792 91 E CB 1.886 31.561 29.700 -0.041 0.000 1.239 91 E HN 0.861 nan 8.360 nan 0.000 0.412 92 I N 3.272 123.811 120.570 -0.052 0.000 2.529 92 I HA 0.282 4.459 4.170 0.011 0.000 0.284 92 I C 0.412 176.292 176.117 -0.395 0.000 1.082 92 I CA -0.214 60.953 61.300 -0.221 0.000 1.406 92 I CB 0.680 38.543 38.000 -0.229 0.000 1.405 92 I HN 0.402 nan 8.210 nan 0.000 0.548 93 R N 4.479 124.547 120.500 -0.720 0.000 2.873 93 R HA 0.601 4.948 4.340 0.011 0.000 0.264 93 R C -1.699 174.010 176.300 -0.985 0.000 1.026 93 R CA -0.756 54.872 56.100 -0.787 0.000 1.002 93 R CB 1.400 30.968 30.300 -1.220 0.000 1.174 93 R HN 0.309 nan 8.270 nan 0.000 0.488 94 Y N 0.111 120.241 120.300 -0.284 0.000 2.373 94 Y HA 0.672 5.229 4.550 0.011 0.000 0.336 94 Y C 0.232 176.189 175.900 0.096 0.000 0.979 94 Y CA -0.585 57.475 58.100 -0.066 0.000 1.080 94 Y CB 2.091 40.530 38.460 -0.035 0.000 1.190 94 Y HN 0.721 nan 8.280 nan 0.000 0.446 95 A N 1.887 124.905 122.820 0.330 0.000 3.474 95 A HA 0.358 4.685 4.320 0.011 0.000 0.187 95 A C 1.247 178.904 177.584 0.122 0.000 1.195 95 A CA -0.045 52.151 52.037 0.264 0.000 1.405 95 A CB -0.048 19.127 19.000 0.293 0.000 1.629 95 A HN 0.727 nan 8.150 nan 0.000 0.632 96 E N -0.994 119.226 120.200 0.033 0.000 2.150 96 E HA -0.092 4.265 4.350 0.011 0.000 0.193 96 E C -0.256 176.069 176.600 -0.458 0.000 0.985 96 E CA 0.942 57.234 56.400 -0.180 0.000 0.814 96 E CB 0.023 29.634 29.700 -0.148 0.000 0.752 96 E HN 0.570 nan 8.360 nan 0.000 0.466 97 H N -1.735 117.416 119.070 0.136 0.000 3.008 97 H HA 0.270 4.833 4.556 0.012 0.000 0.354 97 H C -2.479 172.932 175.328 0.139 0.000 1.252 97 H CA -2.063 54.056 56.048 0.119 0.000 1.117 97 H CB 1.415 31.215 29.762 0.063 0.000 1.857 97 H HN -0.003 nan 8.280 nan 0.000 0.547 98 P HA 0.157 nan 4.420 nan 0.000 0.274 98 P C -1.024 176.283 177.300 0.011 0.000 1.231 98 P CA 0.122 63.160 63.100 -0.102 0.000 0.790 98 P CB 1.230 32.741 31.700 -0.315 0.000 0.951 99 Y N -1.277 118.897 120.300 -0.210 0.000 2.974 99 Y HA 0.740 5.297 4.550 0.011 0.000 0.310 99 Y C -1.332 174.486 175.900 -0.137 0.000 1.551 99 Y CA -1.365 56.638 58.100 -0.160 0.000 1.084 99 Y CB 0.359 38.725 38.460 -0.156 0.000 1.446 99 Y HN 0.077 nan 8.280 nan 0.000 0.472 100 V N 0.533 120.497 119.914 0.082 0.000 2.680 100 V HA 0.447 4.573 4.120 0.011 0.000 0.309 100 V C -1.375 174.798 176.094 0.132 0.000 1.052 100 V CA -0.518 61.791 62.300 0.016 0.000 0.908 100 V CB 1.433 33.262 31.823 0.010 0.000 1.001 100 V HN 0.928 nan 8.190 nan 0.000 0.431 101 H N 1.276 120.344 119.070 -0.003 0.000 2.622 101 H HA 0.868 5.431 4.556 0.012 0.000 0.363 101 H C -0.011 175.337 175.328 0.032 0.000 1.151 101 H CA 0.535 56.603 56.048 0.032 0.000 1.184 101 H CB 2.109 31.876 29.762 0.008 0.000 1.643 101 H HN 0.942 nan 8.280 nan 0.000 0.531 102 G N 1.289 109.779 108.800 -0.518 0.000 2.494 102 G HA2 0.458 4.425 3.960 0.011 0.000 0.308 102 G HA3 0.458 4.425 3.960 0.011 0.000 0.308 102 G C -1.849 172.874 174.900 -0.294 0.000 1.263 102 G CA -0.171 44.788 45.100 -0.235 0.000 0.840 102 G HN 0.630 nan 8.290 nan 0.000 0.479 103 V N -0.801 119.029 119.914 -0.140 0.000 2.962 103 V HA 0.808 4.934 4.120 0.011 0.000 0.313 103 V C -0.750 175.289 176.094 -0.091 0.000 1.099 103 V CA -0.710 61.522 62.300 -0.114 0.000 0.971 103 V CB 1.979 33.767 31.823 -0.058 0.000 1.028 103 V HN 0.774 nan 8.190 nan 0.000 0.430 104 V N 2.733 122.591 119.914 -0.094 0.000 2.610 104 V HA 0.434 4.561 4.120 0.011 0.000 0.298 104 V C -0.070 175.984 176.094 -0.066 0.000 1.067 104 V CA -1.103 61.151 62.300 -0.077 0.000 0.894 104 V CB 1.660 33.427 31.823 -0.094 0.000 1.015 104 V HN 0.912 nan 8.190 nan 0.000 0.432 105 K N 3.679 124.053 120.400 -0.044 0.000 3.311 105 K HA -0.255 4.072 4.320 0.011 0.000 0.270 105 K C 1.142 177.721 176.600 -0.036 0.000 0.927 105 K CA 0.789 57.057 56.287 -0.033 0.000 0.706 105 K CB -1.211 31.271 32.500 -0.030 0.000 1.418 105 K HN 1.684 nan 8.250 nan 0.000 0.459 106 G N -1.221 107.559 108.800 -0.033 0.000 2.184 106 G HA2 -0.316 3.651 3.960 0.011 0.000 0.264 106 G HA3 -0.316 3.651 3.960 0.011 0.000 0.264 106 G C 0.047 174.921 174.900 -0.042 0.000 0.975 106 G CA 0.319 45.402 45.100 -0.028 0.000 0.642 106 G HN 0.987 nan 8.290 nan 0.000 0.536 107 V N -2.160 117.710 119.914 -0.075 0.000 2.656 107 V HA 0.807 4.933 4.120 0.011 0.000 0.307 107 V C 0.042 176.059 176.094 -0.128 0.000 1.051 107 V CA -1.401 60.837 62.300 -0.104 0.000 0.893 107 V CB 1.962 33.687 31.823 -0.164 0.000 0.999 107 V HN 0.182 nan 8.190 nan 0.000 0.426 108 E N 3.326 123.467 120.200 -0.098 0.000 2.465 108 E HA 0.316 4.672 4.350 0.011 0.000 0.260 108 E C -0.495 175.985 176.600 -0.200 0.000 0.980 108 E CA 0.273 56.609 56.400 -0.107 0.000 0.927 108 E CB 1.363 31.101 29.700 0.064 0.000 0.934 108 E HN 0.658 nan 8.360 nan 0.000 0.459 109 V N 3.289 122.989 119.914 -0.357 0.000 2.841 109 V HA 0.241 4.368 4.120 0.011 0.000 0.310 109 V C -0.521 175.392 176.094 -0.301 0.000 1.090 109 V CA -0.958 61.166 62.300 -0.293 0.000 0.930 109 V CB 2.522 34.188 31.823 -0.262 0.000 1.014 109 V HN 0.506 nan 8.190 nan 0.000 0.425 110 D N 2.265 122.598 120.400 -0.111 0.000 2.391 110 D HA 0.531 5.178 4.640 0.011 0.000 0.245 110 D C -0.841 175.420 176.300 -0.064 0.000 1.069 110 D CA -0.135 53.884 54.000 0.032 0.000 0.831 110 D CB 2.454 43.326 40.800 0.121 0.000 1.204 110 D HN 0.245 nan 8.370 nan 0.000 0.503 111 V N 2.914 122.808 119.914 -0.033 0.000 2.304 111 V HA 0.243 4.370 4.120 0.011 0.000 0.278 111 V C 0.008 176.037 176.094 -0.108 0.000 1.018 111 V CA -0.718 61.519 62.300 -0.105 0.000 0.814 111 V CB 1.467 33.233 31.823 -0.095 0.000 1.021 111 V HN 0.259 nan 8.190 nan 0.000 0.440 112 V N 7.547 127.264 119.914 -0.328 0.000 2.370 112 V HA 0.411 4.538 4.120 0.011 0.000 0.283 112 V C -2.400 173.415 176.094 -0.464 0.000 1.023 112 V CA -2.110 59.850 62.300 -0.567 0.000 0.857 112 V CB 1.850 32.849 31.823 -1.372 0.000 0.985 112 V HN 0.641 nan 8.190 nan 0.000 0.443 113 P HA 0.458 nan 4.420 nan 0.000 0.280 113 P C -0.657 176.549 177.300 -0.157 0.000 1.244 113 P CA -0.165 62.908 63.100 -0.044 0.000 0.784 113 P CB 0.727 32.384 31.700 -0.071 0.000 0.913 114 C N 2.010 121.286 119.300 -0.039 0.000 3.318 114 C HA 0.575 5.041 4.460 0.011 0.000 0.322 114 C C -1.266 173.689 174.990 -0.058 0.000 1.398 114 C CA -1.044 57.935 59.018 -0.066 0.000 1.339 114 C CB 0.256 28.058 27.740 0.104 0.000 1.668 114 C HN 0.446 nan 8.230 nan 0.000 0.462 115 Y N 1.071 121.436 120.300 0.109 0.000 2.310 115 Y HA 0.487 5.043 4.550 0.011 0.000 0.326 115 Y C 0.814 176.739 175.900 0.042 0.000 1.151 115 Y CA -0.029 58.120 58.100 0.081 0.000 1.195 115 Y CB 0.912 39.413 38.460 0.068 0.000 1.210 115 Y HN 0.714 nan 8.280 nan 0.000 0.483 116 K N 5.064 125.563 120.400 0.164 0.000 2.267 116 K HA 0.510 4.837 4.320 0.011 0.000 0.282 116 K C -1.726 174.917 176.600 0.072 0.000 1.078 116 K CA -0.095 56.219 56.287 0.045 0.000 0.903 116 K CB -0.045 32.442 32.500 -0.021 0.000 1.111 116 K HN 0.674 nan 8.250 nan 0.000 0.475 117 L N 2.729 123.989 121.223 0.061 0.000 2.376 117 L HA 0.548 4.895 4.340 0.011 0.000 0.258 117 L C -0.839 176.150 176.870 0.199 0.000 1.013 117 L CA -1.154 53.774 54.840 0.148 0.000 0.822 117 L CB 2.007 44.220 42.059 0.258 0.000 1.388 117 L HN 0.434 nan 8.230 nan 0.000 0.413 118 K N 1.364 121.907 120.400 0.239 0.000 2.323 118 K HA 0.503 4.830 4.320 0.011 0.000 0.259 118 K C -1.442 175.335 176.600 0.295 0.000 0.947 118 K CA -0.233 56.228 56.287 0.290 0.000 0.819 118 K CB 1.008 33.599 32.500 0.152 0.000 1.109 118 K HN 0.555 nan 8.250 nan 0.000 0.429 119 E N 2.233 122.627 120.200 0.324 0.000 7.513 119 E HA -0.095 4.261 4.350 0.011 0.000 0.298 119 E C -2.441 173.986 176.600 -0.288 0.000 0.763 119 E CA -0.079 56.312 56.400 -0.014 0.000 1.442 119 E CB -0.600 29.109 29.700 0.015 0.000 0.916 119 E HN 0.569 nan 8.360 nan 0.000 0.262 120 P HA -0.209 nan 4.420 nan 0.000 0.217 120 P C 0.322 177.446 177.300 -0.293 0.000 1.148 120 P CA 1.484 64.113 63.100 -0.785 0.000 0.834 120 P CB 0.260 31.598 31.700 -0.605 0.000 0.783 121 K N 0.557 120.851 120.400 -0.176 0.000 2.469 121 K HA -0.006 4.321 4.320 0.011 0.000 0.274 121 K C 0.745 177.319 176.600 -0.043 0.000 0.983 121 K CA 0.334 56.572 56.287 -0.082 0.000 0.974 121 K CB -0.333 32.135 32.500 -0.054 0.000 0.913 121 K HN 0.137 nan 8.250 nan 0.000 0.493 122 N N -0.369 118.315 118.700 -0.025 0.000 3.002 122 N HA -0.178 4.569 4.740 0.011 0.000 0.229 122 N C -0.343 175.169 175.510 0.003 0.000 0.927 122 N CA 0.427 53.467 53.050 -0.016 0.000 0.980 122 N CB -1.217 37.266 38.487 -0.006 0.000 1.077 122 N HN 0.569 nan 8.380 nan 0.000 0.572 123 I N 1.782 122.367 120.570 0.025 0.000 2.598 123 I HA -0.075 4.102 4.170 0.011 0.000 0.284 123 I C 1.511 177.666 176.117 0.063 0.000 1.140 123 I CA 0.788 62.132 61.300 0.074 0.000 1.420 123 I CB 0.549 38.583 38.000 0.057 0.000 1.387 123 I HN 0.004 nan 8.210 nan 0.000 0.553 124 K N 3.218 123.679 120.400 0.103 0.000 2.354 124 K HA 0.216 4.543 4.320 0.011 0.000 0.194 124 K C -0.011 176.699 176.600 0.184 0.000 1.045 124 K CA 0.198 56.552 56.287 0.112 0.000 1.026 124 K CB 0.486 33.032 32.500 0.076 0.000 0.866 124 K HN 0.514 nan 8.250 nan 0.000 0.530 125 S N -1.050 114.772 115.700 0.203 0.000 2.596 125 S HA 0.413 4.890 4.470 0.011 0.000 0.270 125 S C 0.253 174.941 174.600 0.147 0.000 1.155 125 S CA -0.512 57.809 58.200 0.202 0.000 0.827 125 S CB 1.659 65.042 63.200 0.305 0.000 1.130 125 S HN 0.102 nan 8.310 nan 0.000 0.467 126 A N 1.018 123.905 122.820 0.112 0.000 1.933 126 A HA -0.072 4.255 4.320 0.011 0.000 0.218 126 A C 2.113 179.759 177.584 0.104 0.000 1.175 126 A CA 2.117 54.203 52.037 0.081 0.000 0.628 126 A CB -1.271 17.770 19.000 0.067 0.000 0.814 126 A HN 1.323 nan 8.150 nan 0.000 0.444 127 V N -2.005 117.999 119.914 0.150 0.000 2.688 127 V HA -0.213 3.914 4.120 0.011 0.000 0.256 127 V C 1.453 177.721 176.094 0.291 0.000 1.084 127 V CA 2.353 64.803 62.300 0.250 0.000 1.103 127 V CB -0.823 31.070 31.823 0.118 0.000 0.688 127 V HN 0.417 nan 8.190 nan 0.000 0.480 128 D N 0.493 121.021 120.400 0.214 0.000 2.234 128 D HA -0.068 4.578 4.640 0.011 0.000 0.205 128 D C 2.260 178.684 176.300 0.207 0.000 0.962 128 D CA 1.235 55.374 54.000 0.232 0.000 0.855 128 D CB -0.171 40.792 40.800 0.271 0.000 0.951 128 D HN 0.510 nan 8.370 nan 0.000 0.500 129 R N 0.550 121.110 120.500 0.101 0.000 2.148 129 R HA -0.055 4.291 4.340 0.011 0.000 0.223 129 R C 1.785 177.940 176.300 -0.243 0.000 1.088 129 R CA 0.958 57.040 56.100 -0.030 0.000 0.985 129 R CB 0.000 30.150 30.300 -0.250 0.000 0.880 129 R HN -0.011 nan 8.270 nan 0.000 0.451 130 T N 1.400 115.839 114.554 -0.192 0.000 2.665 130 T HA -0.120 4.236 4.350 0.011 0.000 0.268 130 T C -1.144 173.436 174.700 -0.201 0.000 1.035 130 T CA 1.663 63.613 62.100 -0.251 0.000 1.151 130 T CB -0.935 67.726 68.868 -0.346 0.000 0.862 130 T HN 0.302 nan 8.240 nan 0.000 0.438 131 P HA -0.064 nan 4.420 nan 0.000 0.216 131 P C 1.067 178.296 177.300 -0.117 0.000 1.153 131 P CA 1.107 64.090 63.100 -0.196 0.000 0.858 131 P CB -0.227 31.305 31.700 -0.280 0.000 0.789 132 F N -1.742 118.208 119.950 -0.001 0.000 2.134 132 F HA -0.184 4.351 4.527 0.012 0.000 0.299 132 F C 2.550 178.448 175.800 0.163 0.000 1.097 132 F CA 1.468 59.506 58.000 0.063 0.000 1.264 132 F CB -1.183 37.825 39.000 0.013 0.000 1.001 132 F HN 0.122 nan 8.300 nan 0.000 0.479 133 H N -2.335 116.827 119.070 0.153 0.000 2.352 133 H HA -0.240 4.323 4.556 0.011 0.000 0.299 133 H C 2.115 177.524 175.328 0.135 0.000 1.097 133 H CA 1.442 57.486 56.048 -0.007 0.000 1.311 133 H CB -0.196 29.294 29.762 -0.454 0.000 1.377 133 H HN 0.262 nan 8.280 nan 0.000 0.504 134 H N 1.076 120.228 119.070 0.137 0.000 2.321 134 H HA -0.071 4.492 4.556 0.011 0.000 0.300 134 H C 2.214 177.633 175.328 0.151 0.000 1.087 134 H CA 1.343 57.455 56.048 0.106 0.000 1.319 134 H CB 0.172 29.931 29.762 -0.004 0.000 1.379 134 H HN -0.025 nan 8.280 nan 0.000 0.501 135 K N -0.271 120.174 120.400 0.076 0.000 2.032 135 K HA -0.208 4.119 4.320 0.011 0.000 0.209 135 K C 2.196 178.850 176.600 0.090 0.000 1.048 135 K CA 1.491 57.798 56.287 0.035 0.000 0.927 135 K CB -0.860 31.709 32.500 0.114 0.000 0.712 135 K HN 0.451 nan 8.250 nan 0.000 0.441 136 W N 0.859 122.203 121.300 0.072 0.000 2.374 136 W HA -0.178 4.490 4.660 0.012 0.000 0.288 136 W C 1.674 178.229 176.519 0.060 0.000 1.218 136 W CA 0.718 58.120 57.345 0.095 0.000 1.245 136 W CB 0.041 29.606 29.460 0.175 0.000 1.126 136 W HN -0.014 nan 8.180 nan 0.000 0.545 137 L N 0.788 122.192 121.223 0.303 0.000 2.127 137 L HA -0.074 4.273 4.340 0.011 0.000 0.203 137 L C 2.497 179.348 176.870 -0.032 0.000 1.080 137 L CA 2.262 57.221 54.840 0.197 0.000 0.768 137 L CB -1.465 40.777 42.059 0.305 0.000 0.924 137 L HN 0.226 nan 8.230 nan 0.000 0.444 138 E N -1.287 118.808 120.200 -0.176 0.000 2.085 138 E HA -0.194 4.163 4.350 0.011 0.000 0.194 138 E C 2.023 178.549 176.600 -0.122 0.000 0.994 138 E CA 1.396 57.687 56.400 -0.182 0.000 0.801 138 E CB -0.855 28.662 29.700 -0.305 0.000 0.743 138 E HN 0.397 nan 8.360 nan 0.000 0.453 139 G N 0.542 109.251 108.800 -0.153 0.000 2.511 139 G HA2 -0.135 3.832 3.960 0.011 0.000 0.217 139 G HA3 -0.135 3.832 3.960 0.011 0.000 0.217 139 G C 1.613 176.416 174.900 -0.162 0.000 1.133 139 G CA 0.310 45.324 45.100 -0.145 0.000 0.792 139 G HN 0.120 nan 8.290 nan 0.000 0.539 140 R N -1.045 119.329 120.500 -0.211 0.000 2.206 140 R HA 0.290 4.637 4.340 0.011 0.000 0.198 140 R C 1.899 178.145 176.300 -0.090 0.000 0.986 140 R CA -0.064 55.910 56.100 -0.209 0.000 1.029 140 R CB -0.024 30.028 30.300 -0.413 0.000 0.966 140 R HN 0.306 nan 8.270 nan 0.000 0.487 141 I N 1.502 122.050 120.570 -0.037 0.000 3.226 141 I HA -0.003 4.174 4.170 0.011 0.000 0.277 141 I C 0.268 176.392 176.117 0.011 0.000 1.243 141 I CA 0.275 61.590 61.300 0.025 0.000 1.459 141 I CB -0.034 38.014 38.000 0.080 0.000 1.093 141 I HN -0.207 nan 8.210 nan 0.000 0.453 142 K N 0.783 121.174 120.400 -0.015 0.000 2.543 142 K HA 0.207 4.534 4.320 0.011 0.000 0.279 142 K C 1.242 177.834 176.600 -0.014 0.000 1.001 142 K CA 1.327 57.604 56.287 -0.016 0.000 1.088 142 K CB -0.287 32.194 32.500 -0.032 0.000 0.863 142 K HN 0.454 nan 8.250 nan 0.000 0.488 143 G N 3.623 112.416 108.800 -0.011 0.000 2.241 143 G HA2 -0.280 3.686 3.960 0.011 0.000 0.244 143 G HA3 -0.280 3.686 3.960 0.011 0.000 0.244 143 G C 0.451 175.349 174.900 -0.004 0.000 0.998 143 G CA 0.447 45.540 45.100 -0.012 0.000 0.621 143 G HN 0.611 nan 8.290 nan 0.000 0.519 144 K N 0.855 121.261 120.400 0.009 0.000 2.414 144 K HA 0.156 4.483 4.320 0.011 0.000 0.204 144 K C 1.786 178.401 176.600 0.025 0.000 1.026 144 K CA 0.366 56.668 56.287 0.024 0.000 1.108 144 K CB 0.537 33.065 32.500 0.048 0.000 0.855 144 K HN 0.568 nan 8.250 nan 0.000 0.517 145 E N 1.179 121.383 120.200 0.006 0.000 2.171 145 E HA -0.225 4.132 4.350 0.011 0.000 0.197 145 E C 0.911 177.491 176.600 -0.033 0.000 0.997 145 E CA 1.268 57.664 56.400 -0.006 0.000 0.810 145 E CB -0.329 29.352 29.700 -0.032 0.000 0.738 145 E HN 0.208 nan 8.360 nan 0.000 0.467 146 N N 0.784 119.455 118.700 -0.048 0.000 2.409 146 N HA -0.060 4.687 4.740 0.011 0.000 0.179 146 N C 1.529 177.010 175.510 -0.048 0.000 1.032 146 N CA 0.592 53.597 53.050 -0.075 0.000 0.898 146 N CB 0.042 38.474 38.487 -0.090 0.000 0.971 146 N HN 0.233 nan 8.380 nan 0.000 0.441 147 E N 0.619 120.823 120.200 0.007 0.000 2.152 147 E HA -0.023 4.334 4.350 0.011 0.000 0.192 147 E C 2.028 178.692 176.600 0.106 0.000 0.983 147 E CA 0.358 56.798 56.400 0.068 0.000 0.818 147 E CB -0.121 29.642 29.700 0.105 0.000 0.758 147 E HN 0.109 nan 8.360 nan 0.000 0.467 148 V N 1.207 121.171 119.914 0.083 0.000 2.358 148 V HA -0.219 3.908 4.120 0.011 0.000 0.246 148 V C 2.387 178.519 176.094 0.063 0.000 1.047 148 V CA 1.638 64.001 62.300 0.106 0.000 1.035 148 V CB -0.382 31.505 31.823 0.106 0.000 0.658 148 V HN 0.148 nan 8.190 nan 0.000 0.452 149 R N -0.420 120.078 120.500 -0.004 0.000 2.081 149 R HA -0.082 4.264 4.340 0.011 0.000 0.235 149 R C 2.287 178.549 176.300 -0.062 0.000 1.131 149 R CA 1.325 57.391 56.100 -0.056 0.000 0.960 149 R CB -0.409 29.821 30.300 -0.116 0.000 0.856 149 R HN 0.401 nan 8.270 nan 0.000 0.436 150 L N 0.222 121.382 121.223 -0.104 0.000 2.046 150 L HA -0.200 4.147 4.340 0.011 0.000 0.208 150 L C 2.274 179.088 176.870 -0.093 0.000 1.077 150 L CA 0.753 55.447 54.840 -0.242 0.000 0.747 150 L CB -0.344 41.380 42.059 -0.559 0.000 0.896 150 L HN 0.217 nan 8.230 nan 0.000 0.432 151 L N -0.267 121.057 121.223 0.168 0.000 2.093 151 L HA -0.169 4.178 4.340 0.011 0.000 0.208 151 L C 2.404 179.385 176.870 0.186 0.000 1.085 151 L CA 1.731 56.804 54.840 0.389 0.000 0.755 151 L CB -0.488 41.776 42.059 0.342 0.000 0.904 151 L HN 0.082 nan 8.230 nan 0.000 0.435 152 K N -0.736 119.683 120.400 0.031 0.000 2.057 152 K HA -0.038 4.289 4.320 0.011 0.000 0.206 152 K C 2.004 178.475 176.600 -0.214 0.000 1.050 152 K CA 1.144 57.294 56.287 -0.228 0.000 0.935 152 K CB -0.659 31.639 32.500 -0.337 0.000 0.715 152 K HN 0.507 nan 8.250 nan 0.000 0.439 153 G N 0.935 109.709 108.800 -0.044 0.000 2.422 153 G HA2 -0.264 3.703 3.960 0.011 0.000 0.218 153 G HA3 -0.264 3.703 3.960 0.011 0.000 0.218 153 G C 1.334 176.287 174.900 0.090 0.000 1.146 153 G CA 0.366 45.493 45.100 0.044 0.000 0.769 153 G HN 0.178 nan 8.290 nan 0.000 0.547 154 F N 1.224 121.131 119.950 -0.073 0.000 2.046 154 F HA -0.022 4.512 4.527 0.011 0.000 0.297 154 F C 2.552 178.288 175.800 -0.107 0.000 1.123 154 F CA 1.389 59.226 58.000 -0.272 0.000 1.199 154 F CB -0.330 38.580 39.000 -0.150 0.000 0.972 154 F HN 0.040 nan 8.300 nan 0.000 0.474 155 L N -0.093 121.196 121.223 0.111 0.000 2.083 155 L HA -0.232 4.115 4.340 0.011 0.000 0.209 155 L C 2.423 179.319 176.870 0.043 0.000 1.083 155 L CA 1.704 56.571 54.840 0.044 0.000 0.752 155 L CB -0.733 41.366 42.059 0.067 0.000 0.899 155 L HN 0.105 nan 8.230 nan 0.000 0.433 156 K N 0.733 121.143 120.400 0.016 0.000 1.985 156 K HA -0.131 4.196 4.320 0.011 0.000 0.210 156 K C 2.090 178.690 176.600 -0.001 0.000 1.047 156 K CA 1.621 57.937 56.287 0.047 0.000 0.932 156 K CB -0.474 32.005 32.500 -0.036 0.000 0.716 156 K HN 0.174 nan 8.250 nan 0.000 0.439 157 A N 0.833 123.617 122.820 -0.059 0.000 2.032 157 A HA -0.157 4.170 4.320 0.011 0.000 0.221 157 A C 1.287 178.792 177.584 -0.131 0.000 1.165 157 A CA 1.874 53.857 52.037 -0.090 0.000 0.645 157 A CB -0.535 18.390 19.000 -0.124 0.000 0.807 157 A HN 0.489 nan 8.150 nan 0.000 0.453 158 N N -0.546 118.054 118.700 -0.165 0.000 2.320 158 N HA 0.206 4.952 4.740 0.011 0.000 0.237 158 N C 0.837 176.322 175.510 -0.042 0.000 1.129 158 N CA 0.677 53.638 53.050 -0.148 0.000 0.854 158 N CB 0.330 38.671 38.487 -0.243 0.000 1.083 158 N HN 0.548 nan 8.380 nan 0.000 0.504 159 G N 2.054 110.852 108.800 -0.004 0.000 2.321 159 G HA2 -0.259 3.708 3.960 0.011 0.000 0.287 159 G HA3 -0.259 3.708 3.960 0.011 0.000 0.287 159 G C 0.632 175.574 174.900 0.070 0.000 1.018 159 G CA 0.815 45.935 45.100 0.034 0.000 0.855 159 G HN 0.618 nan 8.290 nan 0.000 0.507 160 I N -4.842 115.798 120.570 0.116 0.000 4.160 160 I HA 0.408 4.585 4.170 0.011 0.000 0.325 160 I C 1.542 177.808 176.117 0.248 0.000 1.455 160 I CA -0.648 60.756 61.300 0.174 0.000 1.142 160 I CB -0.083 38.051 38.000 0.223 0.000 1.262 160 I HN 0.015 nan 8.210 nan 0.000 0.483 161 Y N 3.208 123.562 120.300 0.091 0.000 2.243 161 Y HA 0.387 4.944 4.550 0.011 0.000 0.293 161 Y C 1.687 177.654 175.900 0.113 0.000 1.124 161 Y CA 0.509 58.671 58.100 0.105 0.000 1.159 161 Y CB -0.563 37.944 38.460 0.078 0.000 1.008 161 Y HN 0.158 nan 8.280 nan 0.000 0.527 162 G N -0.487 108.153 108.800 -0.267 0.000 2.569 162 G HA2 0.368 4.335 3.960 0.011 0.000 0.249 162 G HA3 0.368 4.335 3.960 0.011 0.000 0.249 162 G C 0.420 175.193 174.900 -0.212 0.000 1.216 162 G CA -0.038 44.845 45.100 -0.362 0.000 0.845 162 G HN 0.551 nan 8.290 nan 0.000 0.568 163 A N 0.223 122.917 122.820 -0.210 0.000 2.348 163 A HA 0.267 4.594 4.320 0.011 0.000 0.224 163 A C 1.188 178.635 177.584 -0.229 0.000 1.227 163 A CA 0.098 52.022 52.037 -0.188 0.000 0.885 163 A CB -0.201 18.703 19.000 -0.161 0.000 0.933 163 A HN 0.711 nan 8.150 nan 0.000 0.506 164 E N -0.541 119.548 120.200 -0.186 0.000 2.392 164 E HA 0.037 4.393 4.350 0.011 0.000 0.256 164 E C -0.041 176.443 176.600 -0.193 0.000 1.145 164 E CA -0.362 55.925 56.400 -0.188 0.000 0.929 164 E CB 0.142 29.798 29.700 -0.074 0.000 0.998 164 E HN 0.423 nan 8.360 nan 0.000 0.442 165 Y N 0.258 120.546 120.300 -0.019 0.000 2.315 165 Y HA -0.179 4.378 4.550 0.011 0.000 0.288 165 Y C 2.578 178.447 175.900 -0.052 0.000 1.154 165 Y CA 1.784 59.884 58.100 0.000 0.000 1.229 165 Y CB -0.094 38.399 38.460 0.056 0.000 0.980 165 Y HN 0.518 nan 8.280 nan 0.000 0.540 166 K N -0.221 120.133 120.400 -0.078 0.000 2.439 166 K HA -0.068 4.258 4.320 0.011 0.000 0.197 166 K C 1.074 177.579 176.600 -0.159 0.000 1.041 166 K CA 1.041 57.090 56.287 -0.397 0.000 0.970 166 K CB 0.170 32.255 32.500 -0.690 0.000 0.773 166 K HN 0.197 nan 8.250 nan 0.000 0.479 167 V N -0.588 119.281 119.914 -0.076 0.000 3.250 167 V HA 0.120 4.247 4.120 0.011 0.000 0.240 167 V C 0.317 176.401 176.094 -0.017 0.000 1.275 167 V CA -0.169 62.109 62.300 -0.037 0.000 1.206 167 V CB -0.057 31.743 31.823 -0.039 0.000 0.976 167 V HN 0.262 nan 8.190 nan 0.000 0.467 168 R N 0.716 121.182 120.500 -0.057 0.000 3.416 168 R HA -0.173 4.173 4.340 0.011 0.000 0.263 168 R C 0.624 176.872 176.300 -0.087 0.000 1.053 168 R CA 0.459 56.511 56.100 -0.080 0.000 0.705 168 R CB -1.599 28.702 30.300 0.000 0.000 1.124 168 R HN 0.659 nan 8.270 nan 0.000 0.444 169 G N -0.457 108.295 108.800 -0.079 0.000 3.039 169 G HA2 0.590 4.557 3.960 0.011 0.000 0.159 169 G HA3 0.590 4.557 3.960 0.011 0.000 0.159 169 G C -0.752 174.083 174.900 -0.107 0.000 1.284 169 G CA -0.779 44.309 45.100 -0.020 0.000 0.996 169 G HN 0.081 nan 8.290 nan 0.000 0.592 170 F N 1.921 121.821 119.950 -0.085 0.000 2.375 170 F HA 0.392 4.926 4.527 0.012 0.000 0.362 170 F C 1.348 177.086 175.800 -0.102 0.000 1.129 170 F CA -1.034 56.924 58.000 -0.069 0.000 1.154 170 F CB 0.781 39.757 39.000 -0.039 0.000 1.205 170 F HN 0.341 nan 8.300 nan 0.000 0.513 171 S N 1.457 117.167 115.700 0.018 0.000 2.572 171 S HA 0.209 4.686 4.470 0.011 0.000 0.267 171 S C 1.523 176.178 174.600 0.092 0.000 1.361 171 S CA -0.290 57.882 58.200 -0.047 0.000 1.009 171 S CB 0.945 64.148 63.200 0.005 0.000 0.888 171 S HN 0.775 nan 8.310 nan 0.000 0.553 172 G N 0.583 109.450 108.800 0.112 0.000 2.459 172 G HA2 -0.256 3.711 3.960 0.011 0.000 0.217 172 G HA3 -0.256 3.711 3.960 0.011 0.000 0.217 172 G C 1.155 176.232 174.900 0.296 0.000 1.183 172 G CA 1.115 46.407 45.100 0.320 0.000 0.776 172 G HN 0.867 nan 8.290 nan 0.000 0.552 173 Y N 1.123 121.485 120.300 0.104 0.000 2.139 173 Y HA -0.177 4.380 4.550 0.011 0.000 0.282 173 Y C 2.454 178.379 175.900 0.042 0.000 1.179 173 Y CA 1.621 59.749 58.100 0.046 0.000 1.161 173 Y CB -0.576 37.853 38.460 -0.053 0.000 0.970 173 Y HN 0.153 nan 8.280 nan 0.000 0.511 174 L N -0.299 120.904 121.223 -0.033 0.000 2.083 174 L HA -0.188 4.159 4.340 0.011 0.000 0.209 174 L C 2.376 179.277 176.870 0.052 0.000 1.083 174 L CA 1.877 56.659 54.840 -0.097 0.000 0.752 174 L CB -1.358 40.721 42.059 0.032 0.000 0.899 174 L HN 0.401 nan 8.230 nan 0.000 0.433 175 C N -0.147 119.256 119.300 0.172 0.000 2.429 175 C HA -0.133 4.334 4.460 0.011 0.000 0.277 175 C C 2.579 177.676 174.990 0.179 0.000 1.262 175 C CA 0.975 60.120 59.018 0.211 0.000 1.733 175 C CB -0.927 26.973 27.740 0.265 0.000 2.010 175 C HN 0.585 nan 8.230 nan 0.000 0.483 176 E N 0.535 120.830 120.200 0.158 0.000 2.106 176 E HA -0.119 4.238 4.350 0.011 0.000 0.192 176 E C 2.059 178.745 176.600 0.143 0.000 0.984 176 E CA 0.888 57.390 56.400 0.170 0.000 0.806 176 E CB -0.180 29.654 29.700 0.223 0.000 0.750 176 E HN 0.644 nan 8.360 nan 0.000 0.458 177 L N 0.692 121.912 121.223 -0.005 0.000 2.141 177 L HA -0.162 4.185 4.340 0.011 0.000 0.209 177 L C 2.405 179.341 176.870 0.110 0.000 1.094 177 L CA 0.687 55.513 54.840 -0.022 0.000 0.763 177 L CB -0.307 41.541 42.059 -0.352 0.000 0.908 177 L HN 0.177 nan 8.230 nan 0.000 0.437 178 L N -0.616 120.698 121.223 0.151 0.000 2.093 178 L HA -0.213 4.134 4.340 0.011 0.000 0.208 178 L C 2.490 179.589 176.870 0.381 0.000 1.085 178 L CA 0.851 55.880 54.840 0.315 0.000 0.755 178 L CB -0.291 42.004 42.059 0.394 0.000 0.904 178 L HN 0.245 nan 8.230 nan 0.000 0.435 179 I N -0.866 119.874 120.570 0.284 0.000 2.353 179 I HA -0.172 4.004 4.170 0.011 0.000 0.248 179 I C 2.546 178.796 176.117 0.222 0.000 1.119 179 I CA 1.097 62.550 61.300 0.255 0.000 1.417 179 I CB -0.856 37.262 38.000 0.197 0.000 1.078 179 I HN 0.029 nan 8.210 nan 0.000 0.421 180 V N 0.584 120.631 119.914 0.222 0.000 2.490 180 V HA -0.293 3.834 4.120 0.011 0.000 0.250 180 V C 2.330 178.534 176.094 0.183 0.000 1.061 180 V CA 1.759 64.177 62.300 0.198 0.000 1.064 180 V CB -0.688 31.312 31.823 0.296 0.000 0.670 180 V HN 0.246 nan 8.190 nan 0.000 0.461 181 F N -0.477 119.491 119.950 0.031 0.000 2.118 181 F HA -0.087 4.448 4.527 0.012 0.000 0.293 181 F C 2.130 177.811 175.800 -0.198 0.000 1.102 181 F CA 1.601 59.520 58.000 -0.136 0.000 1.247 181 F CB -0.203 38.610 39.000 -0.313 0.000 1.017 181 F HN 0.141 nan 8.300 nan 0.000 0.475 182 Y N -0.131 120.358 120.300 0.316 0.000 2.475 182 Y HA 0.236 4.792 4.550 0.011 0.000 0.289 182 Y C 2.143 178.088 175.900 0.074 0.000 1.121 182 Y CA 0.638 58.845 58.100 0.179 0.000 1.257 182 Y CB -0.266 38.328 38.460 0.223 0.000 1.026 182 Y HN 0.285 nan 8.280 nan 0.000 0.555 183 G N -0.365 108.553 108.800 0.197 0.000 2.284 183 G HA2 -0.247 3.720 3.960 0.011 0.000 0.230 183 G HA3 -0.247 3.720 3.960 0.011 0.000 0.230 183 G C 0.361 175.336 174.900 0.125 0.000 1.021 183 G CA 0.336 45.507 45.100 0.118 0.000 0.619 183 G HN 0.751 nan 8.290 nan 0.000 0.510 184 S N -1.703 114.092 115.700 0.159 0.000 2.636 184 S HA 0.607 5.084 4.470 0.011 0.000 0.266 184 S C 0.363 175.054 174.600 0.152 0.000 1.147 184 S CA 0.353 58.639 58.200 0.144 0.000 0.815 184 S CB 0.616 63.880 63.200 0.107 0.000 1.119 184 S HN 1.302 nan 8.310 nan 0.000 0.470 185 F N 0.980 120.934 119.950 0.006 0.000 2.102 185 F HA 0.048 4.583 4.527 0.012 0.000 0.298 185 F C 1.815 177.543 175.800 -0.119 0.000 1.105 185 F CA 1.854 59.820 58.000 -0.056 0.000 1.239 185 F CB -0.283 38.672 39.000 -0.075 0.000 0.991 185 F HN 0.547 nan 8.300 nan 0.000 0.474 186 L N 0.920 122.151 121.223 0.012 0.000 2.017 186 L HA -0.183 4.164 4.340 0.011 0.000 0.208 186 L C 2.297 179.031 176.870 -0.228 0.000 1.073 186 L CA 1.878 56.650 54.840 -0.115 0.000 0.745 186 L CB -1.053 41.038 42.059 0.053 0.000 0.894 186 L HN 0.115 nan 8.230 nan 0.000 0.432 187 E N -0.889 119.239 120.200 -0.120 0.000 2.150 187 E HA -0.146 4.210 4.350 0.011 0.000 0.193 187 E C 2.087 178.483 176.600 -0.339 0.000 0.985 187 E CA 1.559 57.888 56.400 -0.118 0.000 0.814 187 E CB -0.449 29.289 29.700 0.064 0.000 0.752 187 E HN 0.531 nan 8.360 nan 0.000 0.466 188 T N 1.115 115.458 114.554 -0.351 0.000 2.737 188 T HA -0.092 4.265 4.350 0.011 0.000 0.265 188 T C 2.180 176.418 174.700 -0.769 0.000 1.038 188 T CA 1.262 63.011 62.100 -0.585 0.000 1.144 188 T CB -0.260 68.509 68.868 -0.165 0.000 0.866 188 T HN -0.033 nan 8.240 nan 0.000 0.434 189 V N 1.590 121.032 119.914 -0.785 0.000 2.261 189 V HA -0.214 3.913 4.120 0.011 0.000 0.246 189 V C 2.490 178.190 176.094 -0.658 0.000 1.047 189 V CA 1.668 63.453 62.300 -0.858 0.000 1.015 189 V CB -0.542 30.670 31.823 -1.017 0.000 0.642 189 V HN 0.458 nan 8.190 nan 0.000 0.446 190 K N 0.234 120.341 120.400 -0.487 0.000 2.020 190 K HA -0.217 4.110 4.320 0.011 0.000 0.212 190 K C 2.046 178.419 176.600 -0.378 0.000 1.050 190 K CA 1.948 58.027 56.287 -0.347 0.000 0.929 190 K CB -0.391 31.972 32.500 -0.228 0.000 0.714 190 K HN 0.489 nan 8.250 nan 0.000 0.443 191 N N 0.521 118.945 118.700 -0.461 0.000 2.188 191 N HA -0.109 4.638 4.740 0.011 0.000 0.184 191 N C 1.826 176.950 175.510 -0.643 0.000 1.018 191 N CA 1.023 53.834 53.050 -0.398 0.000 0.858 191 N CB -0.121 38.142 38.487 -0.373 0.000 0.989 191 N HN 0.189 nan 8.380 nan 0.000 0.426 192 A N 2.056 124.201 122.820 -1.126 0.000 1.986 192 A HA -0.158 4.169 4.320 0.011 0.000 0.220 192 A C 2.115 179.159 177.584 -0.900 0.000 1.171 192 A CA 1.148 52.098 52.037 -1.811 0.000 0.640 192 A CB -0.518 17.541 19.000 -1.569 0.000 0.811 192 A HN 0.278 nan 8.150 nan 0.000 0.451 193 R N -0.928 119.231 120.500 -0.568 0.000 2.303 193 R HA -0.069 4.278 4.340 0.011 0.000 0.225 193 R C 1.335 177.555 176.300 -0.133 0.000 1.114 193 R CA 0.988 56.905 56.100 -0.304 0.000 1.007 193 R CB -0.107 30.040 30.300 -0.255 0.000 0.861 193 R HN 0.392 nan 8.270 nan 0.000 0.471 194 R N -0.924 119.520 120.500 -0.093 0.000 2.362 194 R HA 0.049 4.396 4.340 0.011 0.000 0.227 194 R C -0.141 176.329 176.300 0.283 0.000 0.905 194 R CA -0.057 56.095 56.100 0.087 0.000 1.067 194 R CB 0.152 30.515 30.300 0.106 0.000 1.078 194 R HN 0.048 nan 8.270 nan 0.000 0.516 195 W N 2.809 124.167 121.300 0.098 0.000 2.193 195 W HA 0.097 4.763 4.660 0.011 0.000 0.338 195 W C 1.251 177.845 176.519 0.125 0.000 1.310 195 W CA -0.264 57.181 57.345 0.166 0.000 1.243 195 W CB 0.106 29.695 29.460 0.215 0.000 1.165 195 W HN -0.049 nan 8.180 nan 0.000 0.566 196 T N -0.663 114.105 114.554 0.356 0.000 2.888 196 T HA 0.462 4.819 4.350 0.011 0.000 0.288 196 T C 0.895 175.721 174.700 0.210 0.000 1.063 196 T CA -1.044 61.190 62.100 0.222 0.000 1.010 196 T CB 1.672 70.641 68.868 0.169 0.000 1.214 196 T HN 0.523 nan 8.240 nan 0.000 0.533 197 R N -0.028 120.559 120.500 0.145 0.000 2.339 197 R HA 0.138 4.485 4.340 0.011 0.000 0.199 197 R C 0.862 177.259 176.300 0.162 0.000 1.018 197 R CA 0.124 56.303 56.100 0.133 0.000 1.036 197 R CB -0.102 30.249 30.300 0.085 0.000 0.899 197 R HN 0.294 nan 8.270 nan 0.000 0.473 198 R N 0.452 121.046 120.500 0.156 0.000 2.476 198 R HA 0.165 4.512 4.340 0.011 0.000 0.276 198 R C -0.186 176.166 176.300 0.085 0.000 0.941 198 R CA 0.083 56.248 56.100 0.110 0.000 1.088 198 R CB 0.743 31.089 30.300 0.076 0.000 1.216 198 R HN 0.086 nan 8.270 nan 0.000 0.533 199 T N 1.296 115.934 114.554 0.140 0.000 2.932 199 T HA 0.188 4.545 4.350 0.011 0.000 0.312 199 T C 0.110 174.669 174.700 -0.234 0.000 1.071 199 T CA 0.403 62.507 62.100 0.006 0.000 1.128 199 T CB 1.339 70.241 68.868 0.057 0.000 0.984 199 T HN -0.221 nan 8.240 nan 0.000 0.549 200 V N 4.364 124.116 119.914 -0.271 0.000 2.569 200 V HA 0.424 4.551 4.120 0.011 0.000 0.301 200 V C -0.335 175.539 176.094 -0.367 0.000 1.044 200 V CA -0.721 61.376 62.300 -0.338 0.000 0.874 200 V CB 1.667 33.343 31.823 -0.246 0.000 1.002 200 V HN 0.759 nan 8.190 nan 0.000 0.424 201 I N 3.814 124.084 120.570 -0.501 0.000 2.359 201 I HA 0.368 4.545 4.170 0.011 0.000 0.284 201 I C -0.561 175.284 176.117 -0.454 0.000 1.018 201 I CA -0.182 60.766 61.300 -0.586 0.000 1.173 201 I CB 1.435 38.936 38.000 -0.831 0.000 1.326 201 I HN 0.519 nan 8.210 nan 0.000 0.462 202 D N 6.630 126.860 120.400 -0.284 0.000 2.467 202 D HA 0.169 4.816 4.640 0.011 0.000 0.220 202 D C 1.050 177.344 176.300 -0.010 0.000 1.103 202 D CA -0.303 53.611 54.000 -0.145 0.000 0.886 202 D CB 1.518 42.265 40.800 -0.088 0.000 1.025 202 D HN 0.271 nan 8.370 nan 0.000 0.514 203 V N 3.922 123.804 119.914 -0.054 0.000 2.255 203 V HA -0.277 3.849 4.120 0.011 0.000 0.247 203 V C 2.627 178.861 176.094 0.235 0.000 1.051 203 V CA 2.080 64.485 62.300 0.176 0.000 1.018 203 V CB -1.086 30.742 31.823 0.007 0.000 0.641 203 V HN 0.601 nan 8.190 nan 0.000 0.445 204 A N 0.030 122.919 122.820 0.115 0.000 1.917 204 A HA -0.255 4.072 4.320 0.011 0.000 0.219 204 A C 2.235 179.903 177.584 0.140 0.000 1.182 204 A CA 2.215 54.353 52.037 0.168 0.000 0.633 204 A CB -0.477 18.570 19.000 0.079 0.000 0.819 204 A HN 0.599 nan 8.150 nan 0.000 0.448 205 K N -1.201 119.257 120.400 0.097 0.000 2.444 205 K HA 0.232 4.559 4.320 0.011 0.000 0.193 205 K C 0.842 177.500 176.600 0.096 0.000 1.024 205 K CA 0.379 56.712 56.287 0.076 0.000 1.077 205 K CB -0.095 32.428 32.500 0.038 0.000 0.833 205 K HN 0.622 nan 8.250 nan 0.000 0.517 206 G N 2.890 111.789 108.800 0.165 0.000 2.366 206 G HA2 -0.308 3.659 3.960 0.011 0.000 0.299 206 G HA3 -0.308 3.659 3.960 0.011 0.000 0.299 206 G C -0.355 174.637 174.900 0.154 0.000 1.020 206 G CA 0.767 45.942 45.100 0.124 0.000 1.026 206 G HN 0.479 nan 8.290 nan 0.000 0.512 207 E N -1.322 119.054 120.200 0.294 0.000 2.369 207 E HA 0.709 5.066 4.350 0.011 0.000 0.270 207 E C -0.859 175.867 176.600 0.211 0.000 0.909 207 E CA -1.001 55.523 56.400 0.207 0.000 0.775 207 E CB 2.359 32.108 29.700 0.082 0.000 1.270 207 E HN 0.240 nan 8.360 nan 0.000 0.445 208 V N 3.075 123.079 119.914 0.151 0.000 2.577 208 V HA 0.583 4.709 4.120 0.011 0.000 0.303 208 V C -0.446 175.667 176.094 0.031 0.000 1.042 208 V CA -0.674 61.669 62.300 0.071 0.000 0.872 208 V CB 1.489 33.415 31.823 0.173 0.000 0.998 208 V HN 0.769 nan 8.190 nan 0.000 0.423 209 R N 2.609 123.091 120.500 -0.029 0.000 2.846 209 R HA 0.702 5.049 4.340 0.011 0.000 0.263 209 R C -1.114 175.164 176.300 -0.035 0.000 1.080 209 R CA -1.131 54.953 56.100 -0.025 0.000 0.961 209 R CB 1.599 31.870 30.300 -0.048 0.000 1.231 209 R HN 0.339 nan 8.270 nan 0.000 0.465 210 K N 0.664 121.050 120.400 -0.022 0.000 2.234 210 K HA 0.419 4.745 4.320 0.011 0.000 0.277 210 K C -0.719 175.858 176.600 -0.038 0.000 1.038 210 K CA -0.158 56.122 56.287 -0.012 0.000 0.888 210 K CB 1.447 33.953 32.500 0.010 0.000 1.091 210 K HN 0.796 nan 8.250 nan 0.000 0.467 211 G N 2.445 111.221 108.800 -0.040 0.000 3.119 211 G HA2 0.230 4.197 3.960 0.011 0.000 0.206 211 G HA3 0.230 4.197 3.960 0.011 0.000 0.206 211 G C -0.121 174.774 174.900 -0.009 0.000 1.313 211 G CA -0.273 44.793 45.100 -0.056 0.000 1.010 211 G HN 0.632 nan 8.290 nan 0.000 0.578 212 E N -0.488 119.713 120.200 0.002 0.000 2.481 212 E HA 0.201 4.558 4.350 0.011 0.000 0.198 212 E C -0.114 176.523 176.600 0.062 0.000 1.027 212 E CA 0.225 56.643 56.400 0.030 0.000 0.900 212 E CB 0.390 30.105 29.700 0.024 0.000 0.993 212 E HN 0.609 nan 8.360 nan 0.000 0.482 213 E N -1.023 119.228 120.200 0.084 0.000 2.429 213 E HA 0.163 4.520 4.350 0.011 0.000 0.280 213 E C -1.052 175.641 176.600 0.154 0.000 1.068 213 E CA -0.962 55.512 56.400 0.123 0.000 0.837 213 E CB 0.382 30.157 29.700 0.125 0.000 1.357 213 E HN -0.140 nan 8.360 nan 0.000 0.455 214 F N 1.895 121.845 119.950 -0.001 0.000 2.541 214 F HA 0.398 4.931 4.527 0.010 0.000 0.378 214 F C -1.033 174.757 175.800 -0.018 0.000 1.068 214 F CA 0.020 57.986 58.000 -0.058 0.000 1.199 214 F CB 0.157 39.089 39.000 -0.114 0.000 1.091 214 F HN 0.441 nan 8.300 nan 0.000 0.555 215 F N 6.518 126.073 119.950 -0.659 0.000 2.671 215 F HA 0.468 5.001 4.527 0.010 0.000 0.332 215 F C -1.566 173.854 175.800 -0.632 0.000 1.189 215 F CA -0.946 56.754 58.000 -0.499 0.000 0.988 215 F CB 1.128 39.958 39.000 -0.284 0.000 1.258 215 F HN 0.053 nan 8.300 nan 0.000 0.471 216 V N 7.278 126.988 119.914 -0.340 0.000 2.304 216 V HA 0.181 4.308 4.120 0.011 0.000 0.269 216 V C -0.059 175.971 176.094 -0.106 0.000 1.036 216 V CA -0.726 61.373 62.300 -0.335 0.000 0.840 216 V CB 1.095 32.663 31.823 -0.425 0.000 1.036 216 V HN 0.549 nan 8.190 nan 0.000 0.466 217 V N 4.542 124.487 119.914 0.051 0.000 2.572 217 V HA 0.241 4.367 4.120 0.011 0.000 0.291 217 V C 0.461 176.509 176.094 -0.077 0.000 1.039 217 V CA -0.160 62.218 62.300 0.130 0.000 1.055 217 V CB 1.329 33.176 31.823 0.041 0.000 0.969 217 V HN 0.876 nan 8.190 nan 0.000 0.482 218 D N 7.302 127.675 120.400 -0.044 0.000 2.450 218 D HA 0.183 4.829 4.640 0.011 0.000 0.247 218 D C -1.709 174.490 176.300 -0.168 0.000 1.162 218 D CA -1.552 52.393 54.000 -0.093 0.000 0.879 218 D CB 1.957 42.789 40.800 0.054 0.000 1.163 218 D HN 0.452 nan 8.370 nan 0.000 0.472 219 P HA -0.108 nan 4.420 nan 0.000 0.218 219 P C 1.204 178.330 177.300 -0.291 0.000 1.149 219 P CA 0.521 63.303 63.100 -0.531 0.000 0.817 219 P CB 0.365 31.141 31.700 -1.540 0.000 0.785 220 V N -1.310 118.500 119.914 -0.173 0.000 3.461 220 V HA 0.041 4.168 4.120 0.011 0.000 0.267 220 V C 0.485 176.540 176.094 -0.064 0.000 1.186 220 V CA 0.918 63.191 62.300 -0.044 0.000 1.154 220 V CB -0.756 31.127 31.823 0.100 0.000 0.802 220 V HN 0.127 nan 8.190 nan 0.000 0.474 221 D N -0.452 119.925 120.400 -0.039 0.000 2.296 221 D HA 0.098 4.745 4.640 0.011 0.000 0.224 221 D C 0.837 177.137 176.300 0.000 0.000 1.324 221 D CA -0.184 53.799 54.000 -0.028 0.000 0.940 221 D CB 1.035 41.824 40.800 -0.017 0.000 1.492 221 D HN -0.132 nan 8.370 nan 0.000 0.531 222 E N 1.432 121.625 120.200 -0.012 0.000 2.219 222 E HA -0.145 4.212 4.350 0.011 0.000 0.198 222 E C 1.242 177.871 176.600 0.047 0.000 0.998 222 E CA 0.849 57.247 56.400 -0.004 0.000 0.818 222 E CB 0.257 29.936 29.700 -0.035 0.000 0.741 222 E HN 0.411 nan 8.360 nan 0.000 0.477 223 K N 0.486 120.920 120.400 0.055 0.000 2.486 223 K HA 0.024 4.351 4.320 0.011 0.000 0.194 223 K C 0.895 177.609 176.600 0.190 0.000 1.033 223 K CA 0.054 56.403 56.287 0.104 0.000 1.004 223 K CB 0.157 32.687 32.500 0.050 0.000 0.798 223 K HN -0.014 nan 8.250 nan 0.000 0.495 224 R N 1.699 122.288 120.500 0.148 0.000 2.407 224 R HA 0.143 4.490 4.340 0.011 0.000 0.303 224 R C -0.594 175.669 176.300 -0.063 0.000 0.981 224 R CA -0.430 55.703 56.100 0.055 0.000 0.905 224 R CB 0.697 31.019 30.300 0.037 0.000 1.099 224 R HN -0.169 nan 8.270 nan 0.000 0.459 225 N N 3.535 121.963 118.700 -0.454 0.000 2.457 225 N HA 0.069 4.816 4.740 0.011 0.000 0.250 225 N C 0.499 175.740 175.510 -0.449 0.000 0.982 225 N CA -0.288 52.203 53.050 -0.932 0.000 0.941 225 N CB 1.639 39.106 38.487 -1.699 0.000 1.120 225 N HN 0.398 nan 8.380 nan 0.000 0.505 226 V N 2.926 122.652 119.914 -0.315 0.000 2.490 226 V HA -0.145 3.982 4.120 0.011 0.000 0.250 226 V C 1.770 177.739 176.094 -0.208 0.000 1.061 226 V CA 2.186 64.370 62.300 -0.194 0.000 1.064 226 V CB -0.771 30.908 31.823 -0.241 0.000 0.670 226 V HN 0.797 nan 8.190 nan 0.000 0.461 227 A N -0.598 122.056 122.820 -0.276 0.000 2.370 227 A HA 0.544 4.871 4.320 0.011 0.000 0.238 227 A C 2.117 179.566 177.584 -0.226 0.000 1.289 227 A CA 0.751 52.652 52.037 -0.227 0.000 0.885 227 A CB -0.384 18.534 19.000 -0.137 0.000 0.961 227 A HN 0.457 nan 8.150 nan 0.000 0.499 228 A N 1.018 123.677 122.820 -0.268 0.000 1.903 228 A HA -0.253 4.074 4.320 0.011 0.000 0.219 228 A C 1.697 179.185 177.584 -0.160 0.000 1.191 228 A CA 2.108 54.004 52.037 -0.235 0.000 0.638 228 A CB -0.451 18.418 19.000 -0.218 0.000 0.823 228 A HN 0.526 nan 8.150 nan 0.000 0.451 229 N N -0.995 117.599 118.700 -0.176 0.000 2.322 229 N HA 0.171 4.918 4.740 0.011 0.000 0.216 229 N C -0.392 175.009 175.510 -0.182 0.000 1.144 229 N CA -0.224 52.718 53.050 -0.181 0.000 0.830 229 N CB -0.268 38.044 38.487 -0.291 0.000 1.034 229 N HN 0.352 nan 8.380 nan 0.000 0.484 230 L N 1.408 122.513 121.223 -0.197 0.000 2.283 230 L HA 0.354 4.701 4.340 0.011 0.000 0.287 230 L C 0.354 177.129 176.870 -0.159 0.000 1.073 230 L CA -0.467 54.218 54.840 -0.259 0.000 0.822 230 L CB 0.165 41.965 42.059 -0.433 0.000 1.186 230 L HN 0.136 nan 8.230 nan 0.000 0.436 231 S N 4.238 119.876 115.700 -0.103 0.000 2.573 231 S HA 0.039 4.516 4.470 0.011 0.000 0.277 231 S C 1.216 175.786 174.600 -0.051 0.000 1.346 231 S CA -0.113 58.062 58.200 -0.042 0.000 1.034 231 S CB 0.622 63.823 63.200 0.002 0.000 0.879 231 S HN 0.805 nan 8.310 nan 0.000 0.528 232 L N 1.479 122.689 121.223 -0.021 0.000 2.042 232 L HA -0.075 4.272 4.340 0.011 0.000 0.210 232 L C 1.756 178.623 176.870 -0.006 0.000 1.076 232 L CA 2.137 56.967 54.840 -0.017 0.000 0.749 232 L CB -1.144 40.919 42.059 0.007 0.000 0.893 232 L HN 0.782 nan 8.230 nan 0.000 0.432 233 D N -0.688 119.716 120.400 0.005 0.000 2.178 233 D HA -0.138 4.509 4.640 0.011 0.000 0.202 233 D C 1.940 178.264 176.300 0.040 0.000 0.974 233 D CA 1.274 55.283 54.000 0.016 0.000 0.841 233 D CB -0.214 40.590 40.800 0.006 0.000 0.953 233 D HN 0.578 nan 8.370 nan 0.000 0.478 234 N N -0.086 118.637 118.700 0.038 0.000 2.270 234 N HA -0.079 4.668 4.740 0.011 0.000 0.181 234 N C 1.744 177.350 175.510 0.160 0.000 1.016 234 N CA 0.036 53.142 53.050 0.093 0.000 0.870 234 N CB 0.146 38.670 38.487 0.063 0.000 0.979 234 N HN 0.001 nan 8.380 nan 0.000 0.431 235 L N 1.285 122.535 121.223 0.046 0.000 2.017 235 L HA -0.035 4.312 4.340 0.011 0.000 0.208 235 L C 2.131 179.107 176.870 0.176 0.000 1.073 235 L CA 1.483 56.349 54.840 0.044 0.000 0.745 235 L CB -0.747 41.183 42.059 -0.216 0.000 0.894 235 L HN 0.053 nan 8.230 nan 0.000 0.432 236 A N -0.134 122.748 122.820 0.104 0.000 1.902 236 A HA -0.219 4.108 4.320 0.011 0.000 0.217 236 A C 2.388 180.063 177.584 0.153 0.000 1.181 236 A CA 1.885 53.988 52.037 0.109 0.000 0.623 236 A CB -0.576 18.457 19.000 0.056 0.000 0.818 236 A HN 0.550 nan 8.150 nan 0.000 0.443 237 R N -1.966 118.629 120.500 0.159 0.000 2.081 237 R HA -0.120 4.227 4.340 0.011 0.000 0.235 237 R C 2.035 178.486 176.300 0.253 0.000 1.131 237 R CA 1.523 57.728 56.100 0.175 0.000 0.960 237 R CB -0.620 29.764 30.300 0.139 0.000 0.856 237 R HN 0.555 nan 8.270 nan 0.000 0.436 238 F N 1.710 121.756 119.950 0.160 0.000 2.069 238 F HA -0.236 4.297 4.527 0.011 0.000 0.298 238 F C 2.179 178.040 175.800 0.100 0.000 1.113 238 F CA 1.359 59.451 58.000 0.154 0.000 1.214 238 F CB -0.577 38.586 39.000 0.272 0.000 0.978 238 F HN -0.289 nan 8.300 nan 0.000 0.474 239 V N 0.521 120.469 119.914 0.056 0.000 2.282 239 V HA -0.392 3.735 4.120 0.011 0.000 0.249 239 V C 2.646 178.675 176.094 -0.108 0.000 1.057 239 V CA 2.469 64.700 62.300 -0.114 0.000 1.032 239 V CB -1.104 30.763 31.823 0.073 0.000 0.645 239 V HN 0.545 nan 8.190 nan 0.000 0.447 240 H N -0.458 118.580 119.070 -0.053 0.000 2.352 240 H HA -0.124 4.439 4.556 0.012 0.000 0.299 240 H C 2.304 177.619 175.328 -0.022 0.000 1.097 240 H CA 1.867 57.899 56.048 -0.027 0.000 1.311 240 H CB 0.018 29.787 29.762 0.013 0.000 1.377 240 H HN 0.343 nan 8.280 nan 0.000 0.504 241 L N -0.241 120.983 121.223 0.002 0.000 2.131 241 L HA -0.220 4.126 4.340 0.011 0.000 0.210 241 L C 2.977 179.845 176.870 -0.003 0.000 1.092 241 L CA 0.935 55.810 54.840 0.059 0.000 0.759 241 L CB -0.280 41.846 42.059 0.111 0.000 0.903 241 L HN 0.396 nan 8.230 nan 0.000 0.435 242 C N -0.626 118.509 119.300 -0.276 0.000 2.457 242 C HA -0.088 4.379 4.460 0.011 0.000 0.278 242 C C 2.851 177.687 174.990 -0.256 0.000 1.309 242 C CA 0.351 59.137 59.018 -0.386 0.000 1.735 242 C CB -0.847 26.473 27.740 -0.700 0.000 1.992 242 C HN 0.446 nan 8.230 nan 0.000 0.493 243 R N 0.909 121.259 120.500 -0.250 0.000 2.073 243 R HA -0.121 4.226 4.340 0.011 0.000 0.234 243 R C 2.116 178.308 176.300 -0.180 0.000 1.134 243 R CA 1.386 57.358 56.100 -0.213 0.000 0.952 243 R CB -0.309 29.863 30.300 -0.214 0.000 0.850 243 R HN 0.650 nan 8.270 nan 0.000 0.433 244 E N 0.013 120.109 120.200 -0.174 0.000 2.051 244 E HA -0.210 4.146 4.350 0.011 0.000 0.192 244 E C 1.756 178.329 176.600 -0.046 0.000 0.991 244 E CA 1.180 57.551 56.400 -0.049 0.000 0.799 244 E CB -0.196 29.552 29.700 0.080 0.000 0.748 244 E HN 0.211 nan 8.360 nan 0.000 0.449 245 F N 1.247 120.988 119.950 -0.348 0.000 2.126 245 F HA -0.224 4.309 4.527 0.011 0.000 0.299 245 F C 2.169 177.731 175.800 -0.396 0.000 1.096 245 F CA 1.310 58.852 58.000 -0.762 0.000 1.255 245 F CB 0.004 38.509 39.000 -0.825 0.000 0.997 245 F HN -0.039 nan 8.300 nan 0.000 0.479 246 M N -0.030 119.404 119.600 -0.276 0.000 2.296 246 M HA -0.150 4.336 4.480 0.011 0.000 0.265 246 M C 2.127 178.271 176.300 -0.260 0.000 1.064 246 M CA 1.305 56.434 55.300 -0.285 0.000 1.109 246 M CB -1.264 31.228 32.600 -0.181 0.000 1.396 246 M HN 0.346 nan 8.290 nan 0.000 0.430 247 E N -0.159 119.917 120.200 -0.206 0.000 2.158 247 E HA 0.074 4.431 4.350 0.011 0.000 0.191 247 E C -0.091 176.422 176.600 -0.145 0.000 0.982 247 E CA 0.613 56.926 56.400 -0.144 0.000 0.823 247 E CB 0.386 30.027 29.700 -0.098 0.000 0.766 247 E HN 0.325 nan 8.360 nan 0.000 0.468 248 A N 1.529 124.239 122.820 -0.185 0.000 3.124 248 A HA 0.338 4.665 4.320 0.011 0.000 0.295 248 A C -2.778 174.669 177.584 -0.229 0.000 1.199 248 A CA -1.104 50.848 52.037 -0.141 0.000 0.845 248 A CB 0.444 19.433 19.000 -0.019 0.000 1.381 248 A HN -0.033 nan 8.150 nan 0.000 0.537 249 P HA 0.255 nan 4.420 nan 0.000 0.265 249 P C 0.104 177.313 177.300 -0.152 0.000 1.187 249 P CA 0.679 63.300 63.100 -0.798 0.000 0.766 249 P CB 0.917 32.135 31.700 -0.804 0.000 0.820 250 S N 1.867 117.686 115.700 0.197 0.000 2.537 250 S HA 0.266 4.743 4.470 0.011 0.000 0.271 250 S C 0.050 175.032 174.600 0.637 0.000 1.148 250 S CA -0.603 57.853 58.200 0.425 0.000 0.868 250 S CB 0.636 64.129 63.200 0.488 0.000 1.115 250 S HN 0.235 nan 8.310 nan 0.000 0.461 251 L N 4.523 125.987 121.223 0.402 0.000 2.551 251 L HA 0.362 4.709 4.340 0.011 0.000 0.228 251 L C 1.980 179.100 176.870 0.416 0.000 1.153 251 L CA 2.134 57.213 54.840 0.399 0.000 0.851 251 L CB -0.807 41.357 42.059 0.175 0.000 0.959 251 L HN 0.909 nan 8.230 nan 0.000 0.451 252 G N -1.339 107.657 108.800 0.327 0.000 2.484 252 G HA2 -0.249 3.718 3.960 0.011 0.000 0.218 252 G HA3 -0.249 3.718 3.960 0.011 0.000 0.218 252 G C 1.208 176.133 174.900 0.041 0.000 1.130 252 G CA 0.323 45.490 45.100 0.112 0.000 0.784 252 G HN 0.415 nan 8.290 nan 0.000 0.543 253 F N -0.327 119.703 119.950 0.133 0.000 2.546 253 F HA 0.222 4.755 4.527 0.011 0.000 0.298 253 F C 1.321 176.849 175.800 -0.453 0.000 1.120 253 F CA 0.398 58.295 58.000 -0.172 0.000 1.456 253 F CB -0.006 38.972 39.000 -0.037 0.000 1.088 253 F HN 0.100 nan 8.300 nan 0.000 0.572 254 F N -0.574 119.467 119.950 0.151 0.000 2.682 254 F HA 0.239 4.773 4.527 0.012 0.000 0.308 254 F C 0.476 176.273 175.800 -0.004 0.000 1.093 254 F CA -0.421 57.615 58.000 0.060 0.000 1.244 254 F CB -0.105 38.931 39.000 0.059 0.000 1.052 254 F HN -0.382 nan 8.300 nan 0.000 0.573 255 K N 1.684 122.150 120.400 0.111 0.000 2.235 255 K HA 0.371 4.698 4.320 0.011 0.000 0.266 255 K C -2.627 173.947 176.600 -0.043 0.000 0.980 255 K CA -1.911 54.394 56.287 0.030 0.000 0.849 255 K CB 1.080 33.581 32.500 0.001 0.000 1.098 255 K HN -0.231 nan 8.250 nan 0.000 0.445 256 P HA -0.070 nan 4.420 nan 0.000 0.265 256 P C -0.888 176.372 177.300 -0.065 0.000 1.193 256 P CA 0.035 63.117 63.100 -0.030 0.000 0.765 256 P CB 0.427 32.138 31.700 0.019 0.000 0.823 257 K N 2.778 123.134 120.400 -0.073 0.000 2.326 257 K HA 0.139 4.466 4.320 0.011 0.000 0.275 257 K C 0.327 176.938 176.600 0.018 0.000 1.018 257 K CA 0.051 56.285 56.287 -0.087 0.000 0.962 257 K CB -0.017 32.432 32.500 -0.084 0.000 0.953 257 K HN 0.594 nan 8.250 nan 0.000 0.475 258 H N 2.329 121.382 119.070 -0.029 0.000 2.848 258 H HA -0.007 4.556 4.556 0.011 0.000 0.341 258 H C -1.159 174.156 175.328 -0.022 0.000 1.060 258 H CA -1.484 54.553 56.048 -0.020 0.000 1.444 258 H CB 0.578 30.330 29.762 -0.017 0.000 1.446 258 H HN 0.374 nan 8.280 nan 0.000 0.583 259 P HA -0.193 nan 4.420 nan 0.000 0.219 259 P C 0.392 177.704 177.300 0.021 0.000 1.144 259 P CA 0.690 63.811 63.100 0.034 0.000 0.806 259 P CB 0.161 31.865 31.700 0.007 0.000 0.771 260 L N -0.856 120.389 121.223 0.036 0.000 3.829 260 L HA -0.230 4.117 4.340 0.011 0.000 0.440 260 L C -0.100 176.766 176.870 -0.007 0.000 1.192 260 L CA 0.632 55.483 54.840 0.018 0.000 0.848 260 L CB -1.936 40.135 42.059 0.020 0.000 1.744 260 L HN 0.200 nan 8.230 nan 0.000 0.920 261 E N 0.458 120.649 120.200 -0.015 0.000 2.437 261 E HA 0.248 4.605 4.350 0.011 0.000 0.263 261 E C 0.426 177.010 176.600 -0.026 0.000 1.030 261 E CA 0.305 56.692 56.400 -0.022 0.000 0.934 261 E CB 1.033 30.719 29.700 -0.023 0.000 0.943 261 E HN 0.492 nan 8.360 nan 0.000 0.444 262 I N 1.817 122.367 120.570 -0.033 0.000 2.603 262 I HA 0.104 4.280 4.170 0.011 0.000 0.300 262 I C -0.168 175.921 176.117 -0.046 0.000 1.017 262 I CA -0.912 60.362 61.300 -0.043 0.000 1.098 262 I CB 1.195 39.160 38.000 -0.058 0.000 1.279 262 I HN 0.504 nan 8.210 nan 0.000 0.437 263 E N 8.266 128.437 120.200 -0.048 0.000 2.344 263 E HA 0.141 4.497 4.350 0.011 0.000 0.270 263 E C -2.298 174.259 176.600 -0.072 0.000 1.021 263 E CA -1.773 54.600 56.400 -0.045 0.000 0.887 263 E CB 0.582 30.260 29.700 -0.037 0.000 0.997 263 E HN 0.422 nan 8.360 nan 0.000 0.429 264 P HA -0.204 nan 4.420 nan 0.000 0.222 264 P C 1.003 178.210 177.300 -0.156 0.000 1.142 264 P CA 1.129 64.176 63.100 -0.089 0.000 0.788 264 P CB 0.470 32.191 31.700 0.035 0.000 0.767 265 E N 0.980 121.125 120.200 -0.091 0.000 2.047 265 E HA -0.165 4.192 4.350 0.011 0.000 0.191 265 E C 2.364 178.884 176.600 -0.133 0.000 0.987 265 E CA 1.139 57.488 56.400 -0.085 0.000 0.799 265 E CB -0.827 28.848 29.700 -0.041 0.000 0.752 265 E HN 0.045 nan 8.360 nan 0.000 0.449 266 R N -0.280 120.146 120.500 -0.123 0.000 2.120 266 R HA -0.129 4.218 4.340 0.011 0.000 0.234 266 R C 2.257 178.441 176.300 -0.193 0.000 1.123 266 R CA 1.221 57.247 56.100 -0.123 0.000 0.975 266 R CB -0.340 29.905 30.300 -0.090 0.000 0.866 266 R HN 0.272 nan 8.270 nan 0.000 0.446 267 L N 1.340 122.387 121.223 -0.293 0.000 2.027 267 L HA -0.145 4.201 4.340 0.011 0.000 0.206 267 L C 2.522 179.005 176.870 -0.646 0.000 1.074 267 L CA 1.786 56.355 54.840 -0.451 0.000 0.745 267 L CB -0.651 41.068 42.059 -0.566 0.000 0.898 267 L HN 0.112 nan 8.230 nan 0.000 0.433 268 R N -0.379 119.658 120.500 -0.771 0.000 2.096 268 R HA -0.215 4.132 4.340 0.011 0.000 0.240 268 R C 2.329 178.525 176.300 -0.173 0.000 1.139 268 R CA 1.924 57.721 56.100 -0.504 0.000 0.952 268 R CB -0.172 30.030 30.300 -0.163 0.000 0.854 268 R HN 0.366 nan 8.270 nan 0.000 0.436 269 K N 0.127 120.443 120.400 -0.141 0.000 2.057 269 K HA -0.133 4.194 4.320 0.011 0.000 0.207 269 K C 2.161 178.727 176.600 -0.057 0.000 1.049 269 K CA 1.672 57.918 56.287 -0.068 0.000 0.931 269 K CB -0.167 32.298 32.500 -0.060 0.000 0.714 269 K HN 0.278 nan 8.250 nan 0.000 0.440 270 I N 0.679 121.195 120.570 -0.090 0.000 2.226 270 I HA -0.253 3.924 4.170 0.011 0.000 0.245 270 I C 2.156 178.258 176.117 -0.025 0.000 1.100 270 I CA 0.949 62.213 61.300 -0.059 0.000 1.374 270 I CB -0.156 37.797 38.000 -0.078 0.000 1.057 270 I HN -0.077 nan 8.210 nan 0.000 0.413 271 V N 0.552 120.451 119.914 -0.025 0.000 2.626 271 V HA -0.261 3.866 4.120 0.011 0.000 0.252 271 V C 2.391 178.530 176.094 0.075 0.000 1.067 271 V CA 1.831 64.169 62.300 0.064 0.000 1.081 271 V CB -0.567 31.369 31.823 0.189 0.000 0.686 271 V HN 0.465 nan 8.190 nan 0.000 0.468 272 E N 0.378 120.609 120.200 0.052 0.000 2.047 272 E HA -0.227 4.130 4.350 0.011 0.000 0.191 272 E C 2.196 178.819 176.600 0.038 0.000 0.987 272 E CA 1.386 57.817 56.400 0.053 0.000 0.799 272 E CB -0.061 29.662 29.700 0.039 0.000 0.752 272 E HN 0.694 nan 8.360 nan 0.000 0.449 273 E N 0.145 120.357 120.200 0.021 0.000 2.118 273 E HA -0.207 4.150 4.350 0.011 0.000 0.195 273 E C 2.229 178.844 176.600 0.025 0.000 0.992 273 E CA 1.022 57.432 56.400 0.017 0.000 0.804 273 E CB -0.057 29.646 29.700 0.005 0.000 0.741 273 E HN 0.196 nan 8.360 nan 0.000 0.458 274 R N -0.546 119.973 120.500 0.032 0.000 2.148 274 R HA -0.023 4.324 4.340 0.011 0.000 0.223 274 R C 1.617 177.947 176.300 0.050 0.000 1.088 274 R CA 0.690 56.814 56.100 0.040 0.000 0.985 274 R CB -0.108 30.220 30.300 0.046 0.000 0.880 274 R HN 0.307 nan 8.270 nan 0.000 0.451 275 G N 1.459 110.293 108.800 0.057 0.000 2.166 275 G HA2 -0.335 3.632 3.960 0.011 0.000 0.260 275 G HA3 -0.335 3.632 3.960 0.011 0.000 0.260 275 G C 0.379 175.324 174.900 0.075 0.000 0.986 275 G CA 0.915 46.052 45.100 0.062 0.000 0.683 275 G HN 0.521 nan 8.290 nan 0.000 0.527 276 T N -2.402 112.204 114.554 0.087 0.000 2.862 276 T HA 0.779 5.136 4.350 0.011 0.000 0.276 276 T C 0.386 175.162 174.700 0.127 0.000 0.974 276 T CA 0.258 62.419 62.100 0.103 0.000 0.966 276 T CB 2.093 71.022 68.868 0.102 0.000 1.072 276 T HN 1.650 nan 8.240 nan 0.000 0.538 277 A N 0.943 123.855 122.820 0.153 0.000 2.260 277 A HA 0.638 4.965 4.320 0.011 0.000 0.308 277 A C -0.471 177.268 177.584 0.260 0.000 1.254 277 A CA -0.728 51.433 52.037 0.206 0.000 0.874 277 A CB 0.240 19.370 19.000 0.217 0.000 1.153 277 A HN 0.767 nan 8.150 nan 0.000 0.527 278 V N 4.294 124.357 119.914 0.248 0.000 2.444 278 V HA 0.690 4.817 4.120 0.011 0.000 0.294 278 V C -0.688 175.548 176.094 0.238 0.000 1.022 278 V CA -0.224 62.182 62.300 0.175 0.000 0.850 278 V CB 0.429 32.355 31.823 0.172 0.000 0.992 278 V HN 0.873 nan 8.190 nan 0.000 0.426 279 F N 2.809 122.819 119.950 0.101 0.000 2.685 279 F HA 1.013 5.546 4.527 0.011 0.000 0.315 279 F C -0.447 175.453 175.800 0.168 0.000 1.126 279 F CA -1.154 56.898 58.000 0.088 0.000 0.950 279 F CB 1.640 40.685 39.000 0.076 0.000 1.360 279 F HN 0.582 nan 8.300 nan 0.000 0.469 280 A N 0.839 123.867 122.820 0.346 0.000 2.498 280 A HA 0.787 5.114 4.320 0.011 0.000 0.298 280 A C -1.929 175.895 177.584 0.400 0.000 1.075 280 A CA -0.941 51.265 52.037 0.282 0.000 0.714 280 A CB 1.772 20.892 19.000 0.200 0.000 1.299 280 A HN 0.863 nan 8.150 nan 0.000 0.407 281 V N 1.997 122.148 119.914 0.395 0.000 2.370 281 V HA 0.453 4.579 4.120 0.011 0.000 0.279 281 V C 0.154 176.407 176.094 0.266 0.000 1.029 281 V CA -0.387 62.138 62.300 0.375 0.000 0.870 281 V CB 1.215 33.276 31.823 0.397 0.000 0.984 281 V HN 0.873 nan 8.190 nan 0.000 0.451 282 K N 5.747 126.243 120.400 0.161 0.000 2.221 282 K HA 0.771 5.098 4.320 0.011 0.000 0.258 282 K C -1.221 175.386 176.600 0.012 0.000 0.944 282 K CA -0.443 55.765 56.287 -0.132 0.000 0.823 282 K CB 1.541 33.894 32.500 -0.244 0.000 1.113 282 K HN 0.575 nan 8.250 nan 0.000 0.431 283 F N -0.716 119.203 119.950 -0.052 0.000 2.789 283 F HA 0.522 5.055 4.527 0.011 0.000 0.319 283 F C -1.120 174.888 175.800 0.347 0.000 1.168 283 F CA -1.478 56.578 58.000 0.093 0.000 0.934 283 F CB 0.832 39.831 39.000 -0.002 0.000 1.375 283 F HN 0.250 nan 8.300 nan 0.000 0.480 284 R N 1.371 122.209 120.500 0.563 0.000 2.308 284 R HA 0.275 4.622 4.340 0.011 0.000 0.305 284 R C -0.453 175.927 176.300 0.132 0.000 1.053 284 R CA -0.917 55.305 56.100 0.204 0.000 0.957 284 R CB 1.259 31.628 30.300 0.114 0.000 1.022 284 R HN 0.666 nan 8.270 nan 0.000 0.461 285 K N 4.806 125.161 120.400 -0.076 0.000 2.436 285 K HA 0.074 4.401 4.320 0.011 0.000 0.282 285 K C -2.130 174.474 176.600 0.008 0.000 1.044 285 K CA -1.129 55.132 56.287 -0.045 0.000 1.028 285 K CB 0.434 32.871 32.500 -0.105 0.000 0.919 285 K HN 0.210 nan 8.250 nan 0.000 0.474 286 P HA 0.003 nan 4.420 nan 0.000 0.272 286 P C -1.039 176.257 177.300 -0.007 0.000 1.223 286 P CA -0.215 62.903 63.100 0.029 0.000 0.784 286 P CB 0.505 32.226 31.700 0.035 0.000 0.923 287 D N 2.155 122.546 120.400 -0.016 0.000 2.619 287 D HA 0.207 4.853 4.640 0.011 0.000 0.224 287 D C -0.240 176.049 176.300 -0.020 0.000 1.133 287 D CA -0.071 53.915 54.000 -0.023 0.000 1.017 287 D CB -1.063 39.718 40.800 -0.031 0.000 1.077 287 D HN 0.230 nan 8.370 nan 0.000 0.503 288 I N -1.409 119.154 120.570 -0.011 0.000 3.145 288 I HA 0.562 4.739 4.170 0.011 0.000 0.313 288 I C -0.061 176.066 176.117 0.017 0.000 1.122 288 I CA -1.544 59.753 61.300 -0.006 0.000 0.987 288 I CB 1.588 39.582 38.000 -0.009 0.000 1.236 288 I HN -0.119 nan 8.210 nan 0.000 0.453 289 V N -0.290 119.642 119.914 0.030 0.000 2.775 289 V HA 0.223 4.350 4.120 0.011 0.000 0.299 289 V C 0.695 176.858 176.094 0.115 0.000 1.062 289 V CA 0.114 62.455 62.300 0.068 0.000 1.063 289 V CB 0.795 32.660 31.823 0.070 0.000 0.994 289 V HN 0.857 nan 8.190 nan 0.000 0.483 290 D N 1.937 122.444 120.400 0.178 0.000 2.170 290 D HA -0.199 4.448 4.640 0.011 0.000 0.193 290 D C 1.570 178.068 176.300 0.329 0.000 1.004 290 D CA 2.208 56.413 54.000 0.341 0.000 0.860 290 D CB -0.170 40.810 40.800 0.300 0.000 0.931 290 D HN 0.846 nan 8.370 nan 0.000 0.448 291 D N -0.446 120.085 120.400 0.219 0.000 2.263 291 D HA -0.077 4.570 4.640 0.011 0.000 0.208 291 D C 1.502 177.886 176.300 0.140 0.000 0.971 291 D CA 0.609 54.753 54.000 0.241 0.000 0.867 291 D CB -0.065 40.868 40.800 0.222 0.000 0.929 291 D HN 0.236 nan 8.370 nan 0.000 0.492 292 N N -0.353 118.397 118.700 0.082 0.000 2.414 292 N HA -0.005 4.741 4.740 0.011 0.000 0.177 292 N C 1.727 177.220 175.510 -0.029 0.000 1.062 292 N CA -0.042 53.008 53.050 -0.001 0.000 0.890 292 N CB 0.281 38.766 38.487 -0.002 0.000 1.070 292 N HN 0.155 nan 8.380 nan 0.000 0.454 293 L N 0.410 121.636 121.223 0.005 0.000 2.023 293 L HA -0.014 4.332 4.340 0.011 0.000 0.205 293 L C 1.824 178.577 176.870 -0.195 0.000 1.073 293 L CA 1.606 56.390 54.840 -0.093 0.000 0.745 293 L CB -0.818 41.164 42.059 -0.128 0.000 0.900 293 L HN -0.003 nan 8.230 nan 0.000 0.435 294 Y N 0.008 120.263 120.300 -0.076 0.000 2.207 294 Y HA -0.127 4.430 4.550 0.011 0.000 0.287 294 Y C -0.409 175.368 175.900 -0.206 0.000 1.156 294 Y CA 1.831 59.854 58.100 -0.129 0.000 1.182 294 Y CB -1.911 36.575 38.460 0.044 0.000 0.979 294 Y HN 0.319 nan 8.280 nan 0.000 0.521 295 P HA -0.126 nan 4.420 nan 0.000 0.219 295 P C 1.117 178.311 177.300 -0.177 0.000 1.150 295 P CA 1.580 64.564 63.100 -0.193 0.000 0.814 295 P CB 0.033 31.491 31.700 -0.404 0.000 0.787 296 Q N -0.819 118.873 119.800 -0.180 0.000 2.119 296 Q HA -0.066 4.280 4.340 0.011 0.000 0.201 296 Q C 2.101 177.987 176.000 -0.191 0.000 0.972 296 Q CA 1.055 56.763 55.803 -0.159 0.000 0.847 296 Q CB -0.596 28.063 28.738 -0.131 0.000 0.903 296 Q HN 0.284 nan 8.270 nan 0.000 0.433 297 L N 0.579 121.606 121.223 -0.326 0.000 2.046 297 L HA -0.209 4.137 4.340 0.011 0.000 0.208 297 L C 2.170 178.757 176.870 -0.472 0.000 1.077 297 L CA 1.268 55.808 54.840 -0.499 0.000 0.747 297 L CB -0.347 41.094 42.059 -1.031 0.000 0.896 297 L HN 0.278 nan 8.230 nan 0.000 0.432 298 E N -0.260 119.698 120.200 -0.404 0.000 2.077 298 E HA -0.267 4.090 4.350 0.011 0.000 0.193 298 E C 2.265 178.871 176.600 0.009 0.000 0.989 298 E CA 1.084 57.447 56.400 -0.063 0.000 0.800 298 E CB -0.077 29.654 29.700 0.052 0.000 0.746 298 E HN 0.329 nan 8.360 nan 0.000 0.452 299 R N 0.794 121.271 120.500 -0.039 0.000 2.075 299 R HA -0.117 4.230 4.340 0.011 0.000 0.232 299 R C 2.257 178.581 176.300 0.040 0.000 1.126 299 R CA 1.274 57.373 56.100 -0.002 0.000 0.963 299 R CB -0.201 30.073 30.300 -0.043 0.000 0.858 299 R HN 0.126 nan 8.270 nan 0.000 0.435 300 A N 0.513 123.342 122.820 0.014 0.000 1.865 300 A HA -0.168 4.159 4.320 0.011 0.000 0.217 300 A C 2.243 179.950 177.584 0.204 0.000 1.191 300 A CA 2.067 54.143 52.037 0.065 0.000 0.623 300 A CB -0.814 18.198 19.000 0.019 0.000 0.826 300 A HN 0.473 nan 8.150 nan 0.000 0.444 301 S N -0.823 115.021 115.700 0.240 0.000 2.359 301 S HA -0.210 4.267 4.470 0.011 0.000 0.224 301 S C 2.094 176.950 174.600 0.427 0.000 1.035 301 S CA 1.498 59.945 58.200 0.413 0.000 1.018 301 S CB -0.400 62.995 63.200 0.324 0.000 0.876 301 S HN 0.625 nan 8.310 nan 0.000 0.448 302 R N 1.271 121.930 120.500 0.264 0.000 2.080 302 R HA -0.115 4.232 4.340 0.011 0.000 0.236 302 R C 1.997 178.451 176.300 0.256 0.000 1.137 302 R CA 1.317 57.556 56.100 0.231 0.000 0.943 302 R CB -0.100 30.281 30.300 0.135 0.000 0.846 302 R HN 0.155 nan 8.270 nan 0.000 0.431 303 K N 0.418 120.944 120.400 0.210 0.000 2.097 303 K HA -0.124 4.202 4.320 0.011 0.000 0.206 303 K C 2.092 178.769 176.600 0.128 0.000 1.049 303 K CA 1.264 57.669 56.287 0.197 0.000 0.933 303 K CB -0.275 32.370 32.500 0.241 0.000 0.717 303 K HN 0.351 nan 8.250 nan 0.000 0.442 304 I N -0.133 120.549 120.570 0.188 0.000 2.353 304 I HA -0.214 3.962 4.170 0.011 0.000 0.248 304 I C 2.235 178.324 176.117 -0.047 0.000 1.119 304 I CA 0.649 61.948 61.300 -0.001 0.000 1.417 304 I CB -0.202 37.825 38.000 0.045 0.000 1.078 304 I HN -0.058 nan 8.210 nan 0.000 0.421 305 F N 1.985 121.947 119.950 0.020 0.000 2.102 305 F HA -0.238 4.294 4.527 0.009 0.000 0.298 305 F C 2.411 178.211 175.800 0.001 0.000 1.105 305 F CA 1.839 59.871 58.000 0.053 0.000 1.239 305 F CB -0.138 38.984 39.000 0.204 0.000 0.991 305 F HN 0.008 nan 8.300 nan 0.000 0.474 306 E N -0.763 119.552 120.200 0.191 0.000 2.153 306 E HA -0.232 4.124 4.350 0.011 0.000 0.194 306 E C 1.987 178.534 176.600 -0.088 0.000 0.988 306 E CA 1.273 57.714 56.400 0.069 0.000 0.811 306 E CB -0.405 29.363 29.700 0.113 0.000 0.746 306 E HN 0.541 nan 8.360 nan 0.000 0.466 307 F N 1.042 120.789 119.950 -0.338 0.000 2.146 307 F HA -0.109 4.425 4.527 0.012 0.000 0.298 307 F C 1.709 177.332 175.800 -0.295 0.000 1.096 307 F CA 1.109 58.825 58.000 -0.473 0.000 1.275 307 F CB -0.088 38.307 39.000 -1.008 0.000 1.008 307 F HN -0.090 nan 8.300 nan 0.000 0.480 308 L N 0.587 121.578 121.223 -0.386 0.000 2.083 308 L HA -0.193 4.154 4.340 0.011 0.000 0.209 308 L C 2.539 179.202 176.870 -0.345 0.000 1.083 308 L CA 1.889 56.513 54.840 -0.359 0.000 0.752 308 L CB -0.858 41.007 42.059 -0.322 0.000 0.899 308 L HN 0.338 nan 8.230 nan 0.000 0.433 309 E N 0.907 120.882 120.200 -0.375 0.000 2.112 309 E HA -0.215 4.142 4.350 0.011 0.000 0.190 309 E C 2.043 178.501 176.600 -0.236 0.000 0.979 309 E CA 0.738 56.969 56.400 -0.282 0.000 0.814 309 E CB -0.264 29.301 29.700 -0.225 0.000 0.762 309 E HN 0.564 nan 8.360 nan 0.000 0.460 310 R N 0.786 121.140 120.500 -0.242 0.000 2.276 310 R HA 0.058 4.405 4.340 0.011 0.000 0.203 310 R C 1.253 177.375 176.300 -0.297 0.000 1.017 310 R CA 0.955 56.930 56.100 -0.208 0.000 1.010 310 R CB 0.033 30.247 30.300 -0.142 0.000 0.900 310 R HN 0.003 nan 8.270 nan 0.000 0.469 311 E N 1.177 121.117 120.200 -0.432 0.000 2.463 311 E HA 0.071 4.427 4.350 0.011 0.000 0.193 311 E C -0.655 175.540 176.600 -0.675 0.000 1.041 311 E CA -0.016 56.066 56.400 -0.531 0.000 0.879 311 E CB -0.119 29.188 29.700 -0.654 0.000 0.997 311 E HN 0.488 nan 8.360 nan 0.000 0.478 312 N N -1.358 117.055 118.700 -0.480 0.000 2.782 312 N HA -0.221 4.526 4.740 0.011 0.000 0.251 312 N C -0.224 175.025 175.510 -0.436 0.000 1.101 312 N CA 0.516 53.318 53.050 -0.415 0.000 0.764 312 N CB -1.367 36.891 38.487 -0.382 0.000 1.122 312 N HN 0.122 nan 8.380 nan 0.000 0.561 313 F N 0.463 120.314 119.950 -0.164 0.000 2.797 313 F HA 0.309 4.844 4.527 0.013 0.000 0.302 313 F C 1.088 176.831 175.800 -0.095 0.000 1.130 313 F CA 0.233 58.165 58.000 -0.113 0.000 1.387 313 F CB -0.088 38.837 39.000 -0.126 0.000 1.107 313 F HN 0.092 nan 8.300 nan 0.000 0.577 314 M N 0.850 120.447 119.600 -0.004 0.000 2.516 314 M HA -0.163 4.323 4.480 0.011 0.000 0.183 314 M C -2.511 173.782 176.300 -0.011 0.000 0.928 314 M CA -0.216 55.074 55.300 -0.017 0.000 0.573 314 M CB -1.616 30.996 32.600 0.019 0.000 1.126 314 M HN -0.123 nan 8.290 nan 0.000 0.859 315 P HA 0.133 nan 4.420 nan 0.000 0.271 315 P C 0.280 177.630 177.300 0.083 0.000 1.216 315 P CA -0.039 62.985 63.100 -0.126 0.000 0.776 315 P CB 1.018 32.351 31.700 -0.612 0.000 0.881 316 L N 2.243 123.594 121.223 0.213 0.000 2.130 316 L HA 0.169 4.516 4.340 0.011 0.000 0.200 316 L C 1.455 178.530 176.870 0.342 0.000 1.075 316 L CA 1.102 56.086 54.840 0.239 0.000 0.768 316 L CB -0.202 41.945 42.059 0.145 0.000 0.933 316 L HN 0.442 nan 8.230 nan 0.000 0.451 317 R N -1.575 119.143 120.500 0.363 0.000 2.747 317 R HA 0.448 4.795 4.340 0.011 0.000 0.272 317 R C -1.233 175.214 176.300 0.245 0.000 1.032 317 R CA -0.407 55.822 56.100 0.214 0.000 0.896 317 R CB 2.035 32.360 30.300 0.043 0.000 1.253 317 R HN 0.086 nan 8.270 nan 0.000 0.461 318 S N -0.339 115.368 115.700 0.013 0.000 2.661 318 S HA 0.965 5.442 4.470 0.011 0.000 0.285 318 S C -1.055 173.420 174.600 -0.207 0.000 1.138 318 S CA -0.410 57.739 58.200 -0.084 0.000 0.855 318 S CB 2.539 65.784 63.200 0.075 0.000 1.136 318 S HN 0.836 nan 8.310 nan 0.000 0.484 319 A N 0.397 123.032 122.820 -0.309 0.000 2.515 319 A HA 0.965 5.291 4.320 0.011 0.000 0.299 319 A C -1.636 175.840 177.584 -0.181 0.000 1.179 319 A CA -0.734 51.119 52.037 -0.306 0.000 0.656 319 A CB 0.811 19.649 19.000 -0.270 0.000 1.306 319 A HN 2.053 nan 8.150 nan 0.000 0.459 320 F N -1.915 117.986 119.950 -0.081 0.000 2.744 320 F HA 0.839 5.372 4.527 0.010 0.000 0.311 320 F C -1.200 174.618 175.800 0.030 0.000 1.144 320 F CA -0.908 57.074 58.000 -0.030 0.000 0.938 320 F CB 1.238 40.232 39.000 -0.009 0.000 1.292 320 F HN 0.706 nan 8.300 nan 0.000 0.444 321 K N 1.796 122.437 120.400 0.402 0.000 2.542 321 K HA 0.823 5.150 4.320 0.011 0.000 0.259 321 K C -2.019 174.751 176.600 0.282 0.000 0.932 321 K CA -0.612 55.867 56.287 0.320 0.000 0.820 321 K CB 2.467 35.058 32.500 0.152 0.000 1.345 321 K HN 1.294 nan 8.250 nan 0.000 0.432 322 A N 1.967 124.914 122.820 0.212 0.000 2.350 322 A HA 0.761 5.088 4.320 0.011 0.000 0.324 322 A C -0.851 176.829 177.584 0.161 0.000 1.118 322 A CA -0.484 51.612 52.037 0.099 0.000 0.783 322 A CB 1.429 20.388 19.000 -0.069 0.000 1.236 322 A HN 0.629 nan 8.150 nan 0.000 0.457 323 S N -0.159 115.627 115.700 0.144 0.000 2.745 323 S HA 0.394 4.871 4.470 0.011 0.000 0.306 323 S C 0.548 175.189 174.600 0.068 0.000 1.137 323 S CA -0.650 57.638 58.200 0.147 0.000 0.900 323 S CB 1.158 64.501 63.200 0.238 0.000 1.176 323 S HN 0.710 nan 8.310 nan 0.000 0.520 324 E N 1.695 121.926 120.200 0.052 0.000 2.072 324 E HA -0.165 4.192 4.350 0.011 0.000 0.191 324 E C 1.906 178.462 176.600 -0.075 0.000 0.985 324 E CA 1.437 57.836 56.400 -0.000 0.000 0.801 324 E CB -0.231 29.472 29.700 0.005 0.000 0.750 324 E HN 0.798 nan 8.360 nan 0.000 0.452 325 E N -0.374 119.778 120.200 -0.080 0.000 2.008 325 E HA -0.075 4.282 4.350 0.011 0.000 0.191 325 E C 0.427 176.638 176.600 -0.649 0.000 0.986 325 E CA 0.783 56.985 56.400 -0.330 0.000 0.807 325 E CB -0.175 29.464 29.700 -0.102 0.000 0.766 325 E HN 0.048 nan 8.360 nan 0.000 0.450 326 F N -0.367 119.534 119.950 -0.081 0.000 2.764 326 F HA 0.532 5.065 4.527 0.011 0.000 0.347 326 F C -0.391 175.175 175.800 -0.389 0.000 1.151 326 F CA -1.303 56.533 58.000 -0.274 0.000 1.021 326 F CB 1.464 40.204 39.000 -0.433 0.000 1.438 326 F HN 0.038 nan 8.300 nan 0.000 0.516 327 C N 0.269 119.241 119.300 -0.548 0.000 2.634 327 C HA 0.747 5.214 4.460 0.011 0.000 0.313 327 C C -1.473 173.013 174.990 -0.840 0.000 1.198 327 C CA -1.033 57.597 59.018 -0.646 0.000 1.605 327 C CB 0.979 28.150 27.740 -0.948 0.000 2.196 327 C HN 0.572 nan 8.230 nan 0.000 0.486 328 Y N 1.790 121.965 120.300 -0.208 0.000 2.442 328 Y HA 0.692 5.248 4.550 0.011 0.000 0.344 328 Y C -0.210 175.703 175.900 0.022 0.000 0.976 328 Y CA -0.899 57.154 58.100 -0.077 0.000 1.040 328 Y CB 0.902 39.340 38.460 -0.036 0.000 1.228 328 Y HN 0.363 nan 8.280 nan 0.000 0.451 329 L N 4.870 126.218 121.223 0.208 0.000 2.325 329 L HA 0.509 4.856 4.340 0.011 0.000 0.281 329 L C -1.219 175.506 176.870 -0.241 0.000 1.004 329 L CA -0.806 54.070 54.840 0.060 0.000 0.823 329 L CB 1.023 43.239 42.059 0.262 0.000 1.236 329 L HN 0.389 nan 8.230 nan 0.000 0.415 330 L N 3.654 124.567 121.223 -0.516 0.000 2.344 330 L HA 0.639 4.986 4.340 0.011 0.000 0.272 330 L C -0.597 175.605 176.870 -1.113 0.000 1.035 330 L CA -0.007 54.495 54.840 -0.563 0.000 0.807 330 L CB 1.213 43.105 42.059 -0.280 0.000 1.237 330 L HN 0.223 nan 8.230 nan 0.000 0.442 331 F N -0.163 119.584 119.950 -0.338 0.000 2.619 331 F HA 0.516 5.050 4.527 0.011 0.000 0.308 331 F C -0.272 175.300 175.800 -0.380 0.000 1.097 331 F CA -0.789 56.965 58.000 -0.409 0.000 0.953 331 F CB 1.912 40.442 39.000 -0.784 0.000 1.287 331 F HN 0.410 nan 8.300 nan 0.000 0.446 332 E N 1.828 122.058 120.200 0.050 0.000 2.260 332 E HA 0.659 5.016 4.350 0.011 0.000 0.266 332 E C -1.831 174.844 176.600 0.125 0.000 0.887 332 E CA -0.350 56.094 56.400 0.073 0.000 0.777 332 E CB 1.616 31.362 29.700 0.076 0.000 1.205 332 E HN 0.751 nan 8.360 nan 0.000 0.414 333 C N 2.992 122.378 119.300 0.143 0.000 2.667 333 C HA 0.303 4.770 4.460 0.011 0.000 0.323 333 C C 1.301 176.367 174.990 0.127 0.000 1.214 333 C CA -0.507 58.594 59.018 0.139 0.000 1.721 333 C CB 1.811 29.657 27.740 0.176 0.000 2.275 333 C HN 0.887 nan 8.230 nan 0.000 0.491 334 Q N 0.354 120.220 119.800 0.110 0.000 2.269 334 Q HA 0.150 4.497 4.340 0.011 0.000 0.201 334 Q C -0.045 176.018 176.000 0.105 0.000 0.946 334 Q CA 0.891 56.751 55.803 0.094 0.000 0.877 334 Q CB 0.220 29.001 28.738 0.071 0.000 0.963 334 Q HN 0.551 nan 8.270 nan 0.000 0.472 335 I N 1.468 122.125 120.570 0.145 0.000 2.306 335 I HA 0.104 4.280 4.170 0.011 0.000 0.288 335 I C 0.706 176.934 176.117 0.184 0.000 1.036 335 I CA 0.119 61.525 61.300 0.176 0.000 1.221 335 I CB 1.178 39.322 38.000 0.239 0.000 1.385 335 I HN 0.034 nan 8.210 nan 0.000 0.472 336 K N 3.603 124.078 120.400 0.124 0.000 2.155 336 K HA -0.024 4.302 4.320 0.011 0.000 0.203 336 K C 0.514 177.162 176.600 0.081 0.000 1.052 336 K CA 0.960 57.296 56.287 0.081 0.000 0.948 336 K CB 0.490 33.032 32.500 0.069 0.000 0.728 336 K HN 0.574 nan 8.250 nan 0.000 0.448 337 E N 0.355 120.634 120.200 0.131 0.000 2.321 337 E HA 0.337 4.694 4.350 0.011 0.000 0.281 337 E C -1.856 174.847 176.600 0.171 0.000 0.910 337 E CA -0.441 56.051 56.400 0.153 0.000 0.770 337 E CB 1.605 31.361 29.700 0.093 0.000 1.225 337 E HN 0.018 nan 8.360 nan 0.000 0.417 338 I N 2.570 123.269 120.570 0.215 0.000 2.797 338 I HA 0.459 4.636 4.170 0.011 0.000 0.307 338 I C 0.071 176.242 176.117 0.089 0.000 1.033 338 I CA -0.611 60.760 61.300 0.117 0.000 1.071 338 I CB 1.793 39.813 38.000 0.034 0.000 1.255 338 I HN 0.787 nan 8.210 nan 0.000 0.445 339 S N 4.494 120.224 115.700 0.049 0.000 2.587 339 S HA 0.133 4.609 4.470 0.011 0.000 0.260 339 S C 0.867 175.506 174.600 0.065 0.000 1.353 339 S CA -0.150 58.076 58.200 0.043 0.000 0.995 339 S CB 1.016 64.225 63.200 0.014 0.000 0.912 339 S HN 0.799 nan 8.310 nan 0.000 0.568 340 R N -0.163 120.375 120.500 0.063 0.000 2.127 340 R HA 0.161 4.508 4.340 0.011 0.000 0.217 340 R C 0.116 176.501 176.300 0.142 0.000 1.074 340 R CA 0.612 56.767 56.100 0.091 0.000 0.991 340 R CB -0.433 29.915 30.300 0.080 0.000 0.895 340 R HN 0.688 nan 8.270 nan 0.000 0.450 341 V N 0.991 120.951 119.914 0.077 0.000 2.732 341 V HA 0.398 4.525 4.120 0.011 0.000 0.297 341 V C -0.254 175.970 176.094 0.216 0.000 1.060 341 V CA -0.652 61.684 62.300 0.060 0.000 1.038 341 V CB 0.749 32.453 31.823 -0.199 0.000 1.003 341 V HN 0.224 nan 8.190 nan 0.000 0.481 342 F N 1.088 121.110 119.950 0.121 0.000 2.654 342 F HA 0.787 5.320 4.527 0.010 0.000 0.308 342 F C -0.549 175.426 175.800 0.292 0.000 1.108 342 F CA -1.558 56.532 58.000 0.151 0.000 0.957 342 F CB 1.660 40.696 39.000 0.059 0.000 1.309 342 F HN 0.628 nan 8.300 nan 0.000 0.446 343 R N 2.174 122.875 120.500 0.335 0.000 2.349 343 R HA 0.630 4.976 4.340 0.011 0.000 0.299 343 R C -0.936 175.581 176.300 0.361 0.000 1.027 343 R CA -0.844 55.423 56.100 0.278 0.000 0.958 343 R CB 1.829 32.310 30.300 0.302 0.000 1.047 343 R HN 0.961 nan 8.270 nan 0.000 0.468 344 R N 3.914 124.562 120.500 0.247 0.000 2.387 344 R HA 0.262 4.609 4.340 0.011 0.000 0.314 344 R C -0.518 175.870 176.300 0.147 0.000 0.958 344 R CA -0.650 55.605 56.100 0.258 0.000 0.846 344 R CB 1.507 31.913 30.300 0.177 0.000 1.147 344 R HN 0.799 nan 8.270 nan 0.000 0.447 345 M N 3.990 123.487 119.600 -0.171 0.000 2.219 345 M HA 0.293 4.780 4.480 0.011 0.000 0.353 345 M C -0.269 175.545 176.300 -0.810 0.000 1.304 345 M CA 0.384 55.065 55.300 -1.031 0.000 1.115 345 M CB 0.975 32.988 32.600 -0.978 0.000 1.664 345 M HN 0.871 nan 8.290 nan 0.000 0.459 346 G N 4.316 112.422 108.800 -1.157 0.000 3.075 346 G HA2 0.724 4.691 3.960 0.011 0.000 0.253 346 G HA3 0.724 4.691 3.960 0.011 0.000 0.253 346 G C -3.002 171.366 174.900 -0.888 0.000 1.353 346 G CA -1.072 43.137 45.100 -1.485 0.000 1.051 346 G HN 0.528 nan 8.290 nan 0.000 0.553 347 P HA 0.136 nan 4.420 nan 0.000 0.274 347 P C -0.692 176.512 177.300 -0.159 0.000 1.246 347 P CA -0.118 62.778 63.100 -0.341 0.000 0.795 347 P CB 0.928 32.478 31.700 -0.251 0.000 1.006 348 Q N 0.185 119.912 119.800 -0.121 0.000 2.373 348 Q HA 0.085 4.432 4.340 0.011 0.000 0.255 348 Q C 1.225 177.242 176.000 0.028 0.000 0.980 348 Q CA -0.156 55.605 55.803 -0.069 0.000 0.882 348 Q CB 0.221 28.863 28.738 -0.161 0.000 1.249 348 Q HN 0.493 nan 8.270 nan 0.000 0.438 349 F N 1.594 121.595 119.950 0.086 0.000 2.192 349 F HA -0.188 4.346 4.527 0.012 0.000 0.301 349 F C 1.505 177.383 175.800 0.131 0.000 1.079 349 F CA 1.396 59.502 58.000 0.177 0.000 1.303 349 F CB -0.253 38.788 39.000 0.068 0.000 1.024 349 F HN 0.547 nan 8.300 nan 0.000 0.494 350 E N 0.270 120.055 120.200 -0.691 0.000 2.511 350 E HA -0.123 4.234 4.350 0.011 0.000 0.196 350 E C -0.149 176.366 176.600 -0.142 0.000 1.066 350 E CA 0.614 56.782 56.400 -0.386 0.000 0.871 350 E CB -0.890 28.478 29.700 -0.553 0.000 0.863 350 E HN 0.454 nan 8.360 nan 0.000 0.520 351 D N 2.110 122.452 120.400 -0.096 0.000 2.639 351 D HA 0.014 4.661 4.640 0.011 0.000 0.233 351 D C 0.963 177.250 176.300 -0.021 0.000 1.161 351 D CA -0.202 53.760 54.000 -0.064 0.000 1.003 351 D CB 0.265 41.014 40.800 -0.085 0.000 1.034 351 D HN 0.190 nan 8.370 nan 0.000 0.514 352 E N 2.111 122.310 120.200 -0.001 0.000 2.130 352 E HA -0.302 4.055 4.350 0.011 0.000 0.196 352 E C 1.708 178.295 176.600 -0.022 0.000 0.998 352 E CA 0.972 57.376 56.400 0.007 0.000 0.806 352 E CB 0.295 30.005 29.700 0.017 0.000 0.738 352 E HN 0.286 nan 8.360 nan 0.000 0.459 353 R N 0.438 120.921 120.500 -0.028 0.000 2.075 353 R HA -0.118 4.229 4.340 0.011 0.000 0.230 353 R C 2.207 178.482 176.300 -0.042 0.000 1.140 353 R CA 2.157 58.237 56.100 -0.033 0.000 0.928 353 R CB -0.187 30.094 30.300 -0.032 0.000 0.834 353 R HN 0.205 nan 8.270 nan 0.000 0.429 354 N N -0.095 118.575 118.700 -0.050 0.000 2.244 354 N HA -0.129 4.617 4.740 0.011 0.000 0.183 354 N C 1.798 177.272 175.510 -0.060 0.000 1.016 354 N CA 1.379 54.397 53.050 -0.054 0.000 0.866 354 N CB -0.143 38.298 38.487 -0.078 0.000 0.980 354 N HN 0.091 nan 8.380 nan 0.000 0.430 355 V N 1.776 121.635 119.914 -0.091 0.000 2.332 355 V HA -0.239 3.888 4.120 0.011 0.000 0.248 355 V C 2.517 178.500 176.094 -0.184 0.000 1.055 355 V CA 1.570 63.763 62.300 -0.179 0.000 1.038 355 V CB -0.446 31.265 31.823 -0.186 0.000 0.651 355 V HN 0.317 nan 8.190 nan 0.000 0.450 356 K N -0.011 120.314 120.400 -0.125 0.000 2.057 356 K HA -0.224 4.103 4.320 0.011 0.000 0.207 356 K C 2.229 178.774 176.600 -0.092 0.000 1.049 356 K CA 1.643 57.861 56.287 -0.114 0.000 0.931 356 K CB -0.095 32.362 32.500 -0.071 0.000 0.714 356 K HN 0.419 nan 8.250 nan 0.000 0.440 357 K N -0.440 119.930 120.400 -0.051 0.000 2.057 357 K HA -0.130 4.197 4.320 0.011 0.000 0.206 357 K C 1.956 178.547 176.600 -0.015 0.000 1.050 357 K CA 1.280 57.548 56.287 -0.030 0.000 0.935 357 K CB -0.235 32.259 32.500 -0.009 0.000 0.715 357 K HN 0.098 nan 8.250 nan 0.000 0.439 358 F N 1.649 121.496 119.950 -0.172 0.000 2.216 358 F HA -0.117 4.419 4.527 0.014 0.000 0.300 358 F C 1.510 177.184 175.800 -0.209 0.000 1.085 358 F CA 1.261 59.150 58.000 -0.185 0.000 1.326 358 F CB 0.068 38.934 39.000 -0.223 0.000 1.027 358 F HN -0.088 nan 8.300 nan 0.000 0.497 359 L N -0.655 120.416 121.223 -0.254 0.000 2.477 359 L HA -0.013 4.334 4.340 0.011 0.000 0.220 359 L C 2.466 179.198 176.870 -0.231 0.000 1.106 359 L CA 0.864 55.505 54.840 -0.332 0.000 0.851 359 L CB -0.791 41.046 42.059 -0.370 0.000 0.994 359 L HN 0.214 nan 8.230 nan 0.000 0.462 360 S N -0.602 114.994 115.700 -0.173 0.000 2.423 360 S HA -0.079 4.398 4.470 0.011 0.000 0.231 360 S C 1.301 175.826 174.600 -0.124 0.000 1.014 360 S CA 0.233 58.359 58.200 -0.123 0.000 0.965 360 S CB -0.171 62.977 63.200 -0.087 0.000 0.785 360 S HN 0.246 nan 8.310 nan 0.000 0.495 361 R N 3.843 124.245 120.500 -0.164 0.000 2.489 361 R HA 0.107 4.454 4.340 0.011 0.000 0.287 361 R C -0.224 175.989 176.300 -0.146 0.000 1.053 361 R CA 0.035 56.044 56.100 -0.152 0.000 1.036 361 R CB 0.063 30.245 30.300 -0.196 0.000 0.966 361 R HN 0.690 nan 8.270 nan 0.000 0.432 362 N N 4.115 122.754 118.700 -0.101 0.000 2.422 362 N HA 0.140 4.887 4.740 0.011 0.000 0.264 362 N C -0.606 174.854 175.510 -0.083 0.000 1.063 362 N CA -0.173 52.825 53.050 -0.087 0.000 0.959 362 N CB 1.315 39.762 38.487 -0.066 0.000 1.087 362 N HN 0.393 nan 8.380 nan 0.000 0.483 363 R N 0.991 121.443 120.500 -0.081 0.000 2.919 363 R HA 0.633 4.980 4.340 0.011 0.000 0.260 363 R C 0.601 176.851 176.300 -0.084 0.000 1.067 363 R CA -0.940 55.125 56.100 -0.059 0.000 1.003 363 R CB 1.142 31.423 30.300 -0.032 0.000 1.192 363 R HN 0.601 nan 8.270 nan 0.000 0.488 364 A N 0.428 123.173 122.820 -0.125 0.000 2.067 364 A HA 0.042 4.369 4.320 0.011 0.000 0.217 364 A C 0.939 178.159 177.584 -0.608 0.000 1.156 364 A CA 1.081 52.893 52.037 -0.375 0.000 0.683 364 A CB -0.141 18.566 19.000 -0.488 0.000 0.808 364 A HN 0.599 nan 8.150 nan 0.000 0.455 365 F N -1.592 118.400 119.950 0.071 0.000 2.706 365 F HA 0.364 4.898 4.527 0.012 0.000 0.308 365 F C 0.655 176.576 175.800 0.203 0.000 1.095 365 F CA 0.166 58.248 58.000 0.136 0.000 1.244 365 F CB 0.535 39.642 39.000 0.178 0.000 1.063 365 F HN 0.162 nan 8.300 nan 0.000 0.582 366 R N 1.813 122.475 120.500 0.270 0.000 1.385 366 R HA -0.103 4.244 4.340 0.011 0.000 0.414 366 R C -3.122 173.390 176.300 0.352 0.000 1.295 366 R CA -0.313 55.936 56.100 0.248 0.000 0.975 366 R CB -0.883 29.560 30.300 0.239 0.000 3.046 366 R HN 0.018 nan 8.270 nan 0.000 0.499 367 P HA 0.267 nan 4.420 nan 0.000 0.274 367 P C -0.553 177.045 177.300 0.497 0.000 1.246 367 P CA -0.109 63.175 63.100 0.308 0.000 0.795 367 P CB 0.363 32.200 31.700 0.228 0.000 1.006 368 F N -1.275 118.845 119.950 0.284 0.000 2.664 368 F HA 0.721 5.254 4.527 0.011 0.000 0.329 368 F C -0.669 175.084 175.800 -0.079 0.000 1.090 368 F CA -1.633 56.417 58.000 0.084 0.000 0.978 368 F CB 0.618 39.612 39.000 -0.010 0.000 1.378 368 F HN 0.034 nan 8.300 nan 0.000 0.495 369 I N 0.800 121.277 120.570 -0.155 0.000 2.562 369 I HA 0.494 4.671 4.170 0.011 0.000 0.301 369 I C -0.938 175.212 176.117 0.054 0.000 1.003 369 I CA -0.593 60.510 61.300 -0.328 0.000 1.127 369 I CB 1.991 39.615 38.000 -0.626 0.000 1.304 369 I HN 0.791 nan 8.210 nan 0.000 0.446 370 E N 5.910 126.171 120.200 0.102 0.000 2.343 370 E HA 0.174 4.531 4.350 0.011 0.000 0.288 370 E C -1.219 175.471 176.600 0.150 0.000 0.907 370 E CA -0.582 55.887 56.400 0.115 0.000 0.792 370 E CB 0.961 30.702 29.700 0.069 0.000 1.275 370 E HN 0.694 nan 8.360 nan 0.000 0.402 371 N N 3.119 121.865 118.700 0.077 0.000 2.705 371 N HA -0.241 4.506 4.740 0.011 0.000 0.255 371 N C 0.619 176.209 175.510 0.133 0.000 1.008 371 N CA 1.567 54.673 53.050 0.094 0.000 0.742 371 N CB -1.336 37.215 38.487 0.107 0.000 0.906 371 N HN 1.041 nan 8.380 nan 0.000 0.541 372 G N -0.572 108.301 108.800 0.122 0.000 2.162 372 G HA2 -0.367 3.600 3.960 0.011 0.000 0.260 372 G HA3 -0.367 3.600 3.960 0.011 0.000 0.260 372 G C 0.076 175.123 174.900 0.246 0.000 0.976 372 G CA 0.955 46.219 45.100 0.273 0.000 0.655 372 G HN 0.968 nan 8.290 nan 0.000 0.533 373 R N -1.861 118.701 120.500 0.103 0.000 2.739 373 R HA 0.603 4.950 4.340 0.011 0.000 0.271 373 R C -0.915 175.316 176.300 -0.115 0.000 1.010 373 R CA -1.371 54.725 56.100 -0.007 0.000 0.897 373 R CB 0.837 31.068 30.300 -0.115 0.000 1.236 373 R HN 0.096 nan 8.270 nan 0.000 0.466 374 W N 0.831 121.990 121.300 -0.234 0.000 2.251 374 W HA 0.392 5.057 4.660 0.010 0.000 0.329 374 W C -0.678 175.509 176.519 -0.553 0.000 1.234 374 W CA 0.347 57.554 57.345 -0.231 0.000 1.228 374 W CB 0.767 30.168 29.460 -0.098 0.000 1.135 374 W HN 0.426 nan 8.180 nan 0.000 0.576 375 W N 1.512 122.654 121.300 -0.264 0.000 2.915 375 W HA 0.670 5.333 4.660 0.006 0.000 0.337 375 W C -0.527 175.751 176.519 -0.402 0.000 1.102 375 W CA -1.089 55.971 57.345 -0.475 0.000 1.224 375 W CB 1.279 30.123 29.460 -1.028 0.000 1.416 375 W HN 0.431 nan 8.180 nan 0.000 0.503 376 A N 2.424 125.316 122.820 0.119 0.000 2.355 376 A HA 0.860 5.187 4.320 0.011 0.000 0.324 376 A C -1.691 175.868 177.584 -0.041 0.000 1.117 376 A CA -0.746 51.285 52.037 -0.010 0.000 0.785 376 A CB 0.749 19.670 19.000 -0.131 0.000 1.254 376 A HN 0.559 nan 8.150 nan 0.000 0.453 377 F N 0.867 120.884 119.950 0.113 0.000 2.411 377 F HA 0.490 5.025 4.527 0.012 0.000 0.350 377 F C 0.703 176.423 175.800 -0.134 0.000 1.114 377 F CA 0.022 58.033 58.000 0.019 0.000 1.135 377 F CB 1.519 40.581 39.000 0.103 0.000 1.120 377 F HN 0.677 nan 8.300 nan 0.000 0.495 378 E N 2.253 122.291 120.200 -0.270 0.000 2.339 378 E HA 0.559 4.916 4.350 0.011 0.000 0.262 378 E C -1.004 175.472 176.600 -0.207 0.000 0.934 378 E CA -0.719 55.430 56.400 -0.417 0.000 0.802 378 E CB 1.332 30.460 29.700 -0.954 0.000 1.275 378 E HN 0.286 nan 8.360 nan 0.000 0.427 379 M N 1.341 120.979 119.600 0.063 0.000 2.383 379 M HA 0.473 4.960 4.480 0.011 0.000 0.325 379 M C -0.449 176.010 176.300 0.265 0.000 1.092 379 M CA -0.457 54.956 55.300 0.188 0.000 0.961 379 M CB 1.558 34.240 32.600 0.137 0.000 1.672 379 M HN 0.387 nan 8.290 nan 0.000 0.438 380 R N 1.126 121.743 120.500 0.195 0.000 2.500 380 R HA 0.339 4.686 4.340 0.011 0.000 0.275 380 R C 0.927 177.164 176.300 -0.105 0.000 1.051 380 R CA -0.610 55.465 56.100 -0.041 0.000 1.088 380 R CB 1.484 31.666 30.300 -0.198 0.000 1.063 380 R HN 0.517 nan 8.270 nan 0.000 0.511 381 K N 1.395 121.637 120.400 -0.264 0.000 2.418 381 K HA 0.048 4.374 4.320 0.011 0.000 0.195 381 K C -0.097 176.520 176.600 0.029 0.000 1.035 381 K CA 0.807 57.043 56.287 -0.085 0.000 1.003 381 K CB 0.176 32.677 32.500 0.002 0.000 0.793 381 K HN 0.370 nan 8.250 nan 0.000 0.494 382 F N -1.969 118.064 119.950 0.138 0.000 2.631 382 F HA 0.298 4.831 4.527 0.010 0.000 0.308 382 F C 0.318 176.228 175.800 0.184 0.000 1.097 382 F CA -1.239 56.849 58.000 0.145 0.000 0.952 382 F CB 0.974 40.072 39.000 0.163 0.000 1.307 382 F HN -0.183 nan 8.300 nan 0.000 0.450 383 T N -2.390 112.413 114.554 0.416 0.000 3.091 383 T HA 0.381 4.738 4.350 0.011 0.000 0.277 383 T C 0.011 174.919 174.700 0.347 0.000 0.996 383 T CA 0.469 62.783 62.100 0.355 0.000 0.897 383 T CB -0.577 68.406 68.868 0.193 0.000 1.109 383 T HN 1.107 nan 8.240 nan 0.000 0.534 384 T N -1.612 113.061 114.554 0.199 0.000 2.903 384 T HA 0.584 4.941 4.350 0.011 0.000 0.299 384 T C -2.633 171.618 174.700 -0.750 0.000 1.093 384 T CA -1.721 60.282 62.100 -0.162 0.000 1.002 384 T CB 2.205 70.988 68.868 -0.142 0.000 1.127 384 T HN -0.338 nan 8.240 nan 0.000 0.488 385 P HA -0.081 nan 4.420 nan 0.000 0.215 385 P C 1.136 177.861 177.300 -0.958 0.000 1.157 385 P CA 1.254 63.561 63.100 -1.322 0.000 0.874 385 P CB 0.091 31.380 31.700 -0.686 0.000 0.790 386 E N -0.433 119.183 120.200 -0.973 0.000 2.110 386 E HA -0.213 4.144 4.350 0.011 0.000 0.193 386 E C 2.033 178.359 176.600 -0.457 0.000 0.988 386 E CA 1.140 57.023 56.400 -0.863 0.000 0.804 386 E CB -0.673 28.645 29.700 -0.638 0.000 0.745 386 E HN 0.426 nan 8.360 nan 0.000 0.458 387 E N -0.095 119.887 120.200 -0.363 0.000 2.150 387 E HA -0.112 4.245 4.350 0.011 0.000 0.193 387 E C 2.050 178.464 176.600 -0.310 0.000 0.985 387 E CA 1.079 57.363 56.400 -0.193 0.000 0.814 387 E CB -0.169 29.508 29.700 -0.039 0.000 0.752 387 E HN 0.307 nan 8.360 nan 0.000 0.466 388 G N 0.297 108.747 108.800 -0.583 0.000 2.394 388 G HA2 -0.184 3.783 3.960 0.011 0.000 0.214 388 G HA3 -0.184 3.783 3.960 0.011 0.000 0.214 388 G C 1.615 176.307 174.900 -0.348 0.000 1.176 388 G CA 0.743 45.293 45.100 -0.916 0.000 0.786 388 G HN 0.210 nan 8.290 nan 0.000 0.533 389 V N 1.140 120.925 119.914 -0.216 0.000 2.407 389 V HA -0.122 4.005 4.120 0.011 0.000 0.248 389 V C 2.748 178.773 176.094 -0.115 0.000 1.055 389 V CA 1.845 64.042 62.300 -0.172 0.000 1.049 389 V CB -0.464 31.320 31.823 -0.066 0.000 0.662 389 V HN 0.390 nan 8.190 nan 0.000 0.455 390 R N -0.104 120.372 120.500 -0.039 0.000 2.152 390 R HA -0.157 4.189 4.340 0.011 0.000 0.232 390 R C 2.424 178.804 176.300 0.133 0.000 1.117 390 R CA 1.778 57.979 56.100 0.169 0.000 0.981 390 R CB -0.219 30.132 30.300 0.086 0.000 0.870 390 R HN 0.498 nan 8.270 nan 0.000 0.451 391 S N -0.451 115.239 115.700 -0.018 0.000 2.356 391 S HA -0.133 4.344 4.470 0.011 0.000 0.219 391 S C 1.713 176.282 174.600 -0.052 0.000 1.036 391 S CA 0.627 58.839 58.200 0.020 0.000 0.965 391 S CB -0.459 62.784 63.200 0.071 0.000 0.864 391 S HN 0.518 nan 8.310 nan 0.000 0.471 392 Y N 2.438 122.455 120.300 -0.472 0.000 2.070 392 Y HA -0.089 4.468 4.550 0.012 0.000 0.280 392 Y C 2.453 178.146 175.900 -0.343 0.000 1.148 392 Y CA 1.613 59.296 58.100 -0.694 0.000 1.125 392 Y CB -1.101 36.445 38.460 -1.523 0.000 0.975 392 Y HN 0.293 nan 8.280 nan 0.000 0.492 393 A N -1.095 121.487 122.820 -0.397 0.000 2.024 393 A HA -0.174 4.153 4.320 0.011 0.000 0.220 393 A C 2.380 179.806 177.584 -0.263 0.000 1.164 393 A CA 1.997 53.719 52.037 -0.525 0.000 0.643 393 A CB -0.984 17.463 19.000 -0.923 0.000 0.806 393 A HN 0.511 nan 8.150 nan 0.000 0.451 394 S N -1.025 114.700 115.700 0.040 0.000 2.414 394 S HA -0.072 4.405 4.470 0.011 0.000 0.227 394 S C 2.041 176.778 174.600 0.228 0.000 1.022 394 S CA 1.657 60.014 58.200 0.260 0.000 0.958 394 S CB -0.177 63.177 63.200 0.257 0.000 0.797 394 S HN 0.912 nan 8.310 nan 0.000 0.493 395 T N -2.120 112.511 114.554 0.128 0.000 2.990 395 T HA 0.177 4.534 4.350 0.011 0.000 0.250 395 T C 0.670 175.299 174.700 -0.118 0.000 1.041 395 T CA 0.200 62.368 62.100 0.113 0.000 1.010 395 T CB -0.183 68.773 68.868 0.147 0.000 1.003 395 T HN 0.302 nan 8.240 nan 0.000 0.499 396 H N 0.744 119.555 119.070 -0.431 0.000 2.486 396 H HA 0.327 4.890 4.556 0.011 0.000 0.284 396 H C 1.427 176.388 175.328 -0.611 0.000 1.103 396 H CA -1.185 54.480 56.048 -0.639 0.000 1.089 396 H CB -0.343 28.796 29.762 -1.039 0.000 1.603 396 H HN 0.502 nan 8.280 nan 0.000 0.557 397 W N -0.262 120.886 121.300 -0.254 0.000 2.325 397 W HA -0.242 4.426 4.660 0.013 0.000 0.299 397 W C 1.362 177.783 176.519 -0.164 0.000 1.215 397 W CA 1.076 58.278 57.345 -0.239 0.000 1.244 397 W CB -0.948 28.409 29.460 -0.172 0.000 1.140 397 W HN 0.401 nan 8.180 nan 0.000 0.523 398 H N 0.658 118.914 119.070 -1.356 0.000 2.560 398 H HA -0.090 4.473 4.556 0.011 0.000 0.283 398 H C 1.067 176.097 175.328 -0.496 0.000 1.028 398 H CA 1.756 57.130 56.048 -1.123 0.000 1.221 398 H CB 0.028 28.832 29.762 -1.595 0.000 1.363 398 H HN 0.104 nan 8.280 nan 0.000 0.594 399 T N 0.189 114.493 114.554 -0.416 0.000 3.092 399 T HA 0.198 4.555 4.350 0.011 0.000 0.258 399 T C 1.177 175.770 174.700 -0.179 0.000 1.031 399 T CA -0.332 61.612 62.100 -0.259 0.000 0.925 399 T CB -0.076 68.726 68.868 -0.111 0.000 1.036 399 T HN 0.259 nan 8.240 nan 0.000 0.544 400 L N 1.568 122.670 121.223 -0.201 0.000 2.912 400 L HA 0.479 4.826 4.340 0.011 0.000 0.240 400 L C 0.905 177.685 176.870 -0.150 0.000 1.262 400 L CA -0.482 54.274 54.840 -0.140 0.000 1.058 400 L CB -0.384 41.577 42.059 -0.163 0.000 1.383 400 L HN 0.314 nan 8.230 nan 0.000 0.512 401 G N 0.077 108.773 108.800 -0.174 0.000 2.895 401 G HA2 -0.176 3.791 3.960 0.011 0.000 0.686 401 G HA3 -0.176 3.791 3.960 0.011 0.000 0.686 401 G C 0.418 175.223 174.900 -0.159 0.000 1.108 401 G CA -0.706 44.301 45.100 -0.156 0.000 0.761 401 G HN 0.026 nan 8.290 nan 0.000 0.611 402 K N 0.808 121.118 120.400 -0.149 0.000 2.015 402 K HA -0.187 4.140 4.320 0.011 0.000 0.220 402 K C 2.383 178.964 176.600 -0.032 0.000 1.055 402 K CA 2.230 58.456 56.287 -0.102 0.000 0.951 402 K CB -0.309 32.151 32.500 -0.067 0.000 0.725 402 K HN 0.629 nan 8.250 nan 0.000 0.449 403 N N 0.251 118.930 118.700 -0.036 0.000 2.092 403 N HA -0.110 4.637 4.740 0.011 0.000 0.189 403 N C 2.078 177.574 175.510 -0.023 0.000 1.040 403 N CA 0.997 54.039 53.050 -0.014 0.000 0.845 403 N CB -0.672 37.805 38.487 -0.016 0.000 1.017 403 N HN -0.061 nan 8.380 nan 0.000 0.426 404 V N 1.564 121.447 119.914 -0.053 0.000 2.324 404 V HA -0.200 3.927 4.120 0.011 0.000 0.250 404 V C 2.490 178.441 176.094 -0.237 0.000 1.060 404 V CA 2.144 64.371 62.300 -0.123 0.000 1.042 404 V CB -1.307 30.441 31.823 -0.125 0.000 0.650 404 V HN 0.391 nan 8.190 nan 0.000 0.450 405 G N -0.760 107.967 108.800 -0.121 0.000 2.421 405 G HA2 -0.254 3.713 3.960 0.011 0.000 0.216 405 G HA3 -0.254 3.713 3.960 0.011 0.000 0.216 405 G C 1.463 176.473 174.900 0.183 0.000 1.171 405 G CA 0.910 46.015 45.100 0.008 0.000 0.775 405 G HN 0.571 nan 8.290 nan 0.000 0.543 406 E N 0.047 120.331 120.200 0.140 0.000 2.150 406 E HA -0.066 4.291 4.350 0.011 0.000 0.193 406 E C 2.642 179.197 176.600 -0.075 0.000 0.985 406 E CA 0.914 57.335 56.400 0.035 0.000 0.814 406 E CB -0.044 29.691 29.700 0.057 0.000 0.752 406 E HN 0.420 nan 8.360 nan 0.000 0.466 407 S N 0.333 116.005 115.700 -0.047 0.000 2.371 407 S HA -0.052 4.424 4.470 0.011 0.000 0.224 407 S C 1.907 176.494 174.600 -0.021 0.000 1.029 407 S CA 0.568 58.773 58.200 0.008 0.000 0.978 407 S CB -0.046 63.224 63.200 0.116 0.000 0.833 407 S HN 0.179 nan 8.310 nan 0.000 0.466 408 I N 1.302 121.747 120.570 -0.210 0.000 2.546 408 I HA -0.060 4.117 4.170 0.011 0.000 0.255 408 I C 2.734 178.835 176.117 -0.027 0.000 1.163 408 I CA 0.851 62.029 61.300 -0.203 0.000 1.457 408 I CB -0.310 37.392 38.000 -0.496 0.000 1.092 408 I HN 0.316 nan 8.210 nan 0.000 0.434 409 R N 1.856 122.253 120.500 -0.172 0.000 2.148 409 R HA -0.176 4.171 4.340 0.011 0.000 0.227 409 R C 1.851 177.983 176.300 -0.279 0.000 1.103 409 R CA 1.683 57.510 56.100 -0.454 0.000 0.983 409 R CB -0.002 29.520 30.300 -1.297 0.000 0.874 409 R HN 0.570 nan 8.270 nan 0.000 0.451 410 E N -1.801 118.315 120.200 -0.140 0.000 2.447 410 E HA -0.053 4.304 4.350 0.011 0.000 0.195 410 E C -0.396 176.282 176.600 0.130 0.000 1.028 410 E CA -0.040 56.336 56.400 -0.040 0.000 0.876 410 E CB 0.186 29.866 29.700 -0.032 0.000 0.885 410 E HN 0.340 nan 8.360 nan 0.000 0.500 411 Y N 0.044 120.367 120.300 0.038 0.000 2.458 411 Y HA 0.370 4.927 4.550 0.012 0.000 0.330 411 Y C -2.175 173.881 175.900 0.260 0.000 1.292 411 Y CA -1.498 56.650 58.100 0.081 0.000 1.262 411 Y CB 0.902 39.408 38.460 0.077 0.000 1.324 411 Y HN 0.059 nan 8.280 nan 0.000 0.468 412 F N 3.866 123.217 119.950 -0.999 0.000 2.765 412 F HA 0.665 5.199 4.527 0.012 0.000 0.313 412 F C -2.281 173.205 175.800 -0.524 0.000 1.136 412 F CA -0.500 56.995 58.000 -0.842 0.000 0.952 412 F CB 1.124 39.943 39.000 -0.302 0.000 1.268 412 F HN 0.617 nan 8.300 nan 0.000 0.441 413 E N 3.009 123.127 120.200 -0.138 0.000 2.413 413 E HA 0.708 5.065 4.350 0.011 0.000 0.277 413 E C -1.887 174.816 176.600 0.172 0.000 0.958 413 E CA -1.154 55.205 56.400 -0.068 0.000 0.779 413 E CB 3.118 32.785 29.700 -0.055 0.000 1.278 413 E HN 0.726 nan 8.360 nan 0.000 0.456 414 I N 2.345 122.998 120.570 0.139 0.000 2.330 414 I HA 0.300 4.477 4.170 0.011 0.000 0.289 414 I C -0.529 175.655 176.117 0.112 0.000 1.001 414 I CA -1.032 60.379 61.300 0.184 0.000 1.193 414 I CB 0.953 39.035 38.000 0.136 0.000 1.345 414 I HN 0.403 nan 8.210 nan 0.000 0.461 415 I N 5.428 126.087 120.570 0.147 0.000 2.437 415 I HA 0.527 4.704 4.170 0.011 0.000 0.298 415 I C 0.336 176.500 176.117 0.078 0.000 0.984 415 I CA -0.190 61.158 61.300 0.079 0.000 1.214 415 I CB 1.457 39.500 38.000 0.071 0.000 1.365 415 I HN 0.643 nan 8.210 nan 0.000 0.469 416 S N 2.364 118.055 115.700 -0.015 0.000 2.588 416 S HA 0.881 5.358 4.470 0.011 0.000 0.269 416 S C -0.189 174.294 174.600 -0.194 0.000 1.157 416 S CA -0.147 58.014 58.200 -0.064 0.000 0.824 416 S CB 1.818 65.033 63.200 0.025 0.000 1.126 416 S HN 1.531 nan 8.310 nan 0.000 0.464 417 G N 1.659 110.264 108.800 -0.326 0.000 2.553 417 G HA2 -0.203 3.763 3.960 0.011 0.000 0.242 417 G HA3 -0.203 3.763 3.960 0.011 0.000 0.242 417 G C 0.391 174.946 174.900 -0.575 0.000 1.277 417 G CA 0.377 45.279 45.100 -0.329 0.000 0.910 417 G HN 0.853 nan 8.290 nan 0.000 0.576 418 E N 0.285 120.390 120.200 -0.157 0.000 2.209 418 E HA -0.155 4.201 4.350 0.011 0.000 0.196 418 E C 2.230 178.786 176.600 -0.073 0.000 0.993 418 E CA 1.525 57.933 56.400 0.013 0.000 0.819 418 E CB -0.208 29.546 29.700 0.090 0.000 0.745 418 E HN 0.642 nan 8.360 nan 0.000 0.477 419 K N 0.588 120.916 120.400 -0.120 0.000 2.283 419 K HA -0.104 4.222 4.320 0.011 0.000 0.202 419 K C 2.061 178.594 176.600 -0.112 0.000 1.048 419 K CA 0.402 56.641 56.287 -0.080 0.000 0.948 419 K CB 0.031 32.497 32.500 -0.057 0.000 0.742 419 K HN 0.037 nan 8.250 nan 0.000 0.458 420 L N 0.064 121.130 121.223 -0.262 0.000 2.127 420 L HA 0.098 4.445 4.340 0.011 0.000 0.203 420 L C 1.413 178.189 176.870 -0.157 0.000 1.080 420 L CA 1.285 55.977 54.840 -0.246 0.000 0.768 420 L CB -0.280 41.561 42.059 -0.363 0.000 0.924 420 L HN 0.121 nan 8.230 nan 0.000 0.444 421 F N -0.223 119.725 119.950 -0.003 0.000 2.449 421 F HA -0.164 4.369 4.527 0.011 0.000 0.299 421 F C 1.846 177.629 175.800 -0.028 0.000 1.092 421 F CA 0.543 58.531 58.000 -0.019 0.000 1.446 421 F CB -0.230 38.766 39.000 -0.007 0.000 1.084 421 F HN 0.067 nan 8.300 nan 0.000 0.567 422 K N -0.419 120.038 120.400 0.095 0.000 2.358 422 K HA 0.046 4.373 4.320 0.011 0.000 0.197 422 K C 0.368 176.975 176.600 0.011 0.000 1.025 422 K CA 0.024 56.343 56.287 0.053 0.000 1.104 422 K CB 0.293 32.817 32.500 0.041 0.000 0.855 422 K HN -0.012 nan 8.250 nan 0.000 0.531 423 E N 0.473 120.655 120.200 -0.030 0.000 2.280 423 E HA 0.151 4.508 4.350 0.011 0.000 0.264 423 E C -2.388 174.106 176.600 -0.177 0.000 1.064 423 E CA -2.432 53.903 56.400 -0.108 0.000 0.900 423 E CB 0.568 30.148 29.700 -0.201 0.000 1.123 423 E HN -0.197 nan 8.360 nan 0.000 0.418 424 P HA 0.022 nan 4.420 nan 0.000 0.226 424 P C 0.340 177.455 177.300 -0.308 0.000 1.783 424 P CA 0.303 63.300 63.100 -0.172 0.000 0.980 424 P CB -0.181 31.482 31.700 -0.063 0.000 1.967 425 V N -3.084 116.660 119.914 -0.283 0.000 3.392 425 V HA 0.045 4.172 4.120 0.011 0.000 0.294 425 V C 1.873 177.902 176.094 -0.109 0.000 1.561 425 V CA 0.572 62.724 62.300 -0.248 0.000 1.056 425 V CB -0.446 31.160 31.823 -0.362 0.000 0.882 425 V HN 0.253 nan 8.190 nan 0.000 0.440 426 T N -0.348 114.169 114.554 -0.062 0.000 2.803 426 T HA -0.125 4.232 4.350 0.011 0.000 0.269 426 T C 1.879 176.557 174.700 -0.037 0.000 1.052 426 T CA 2.419 64.507 62.100 -0.020 0.000 1.136 426 T CB -0.314 68.547 68.868 -0.012 0.000 0.864 426 T HN 0.957 nan 8.240 nan 0.000 0.467 427 A N 1.685 124.477 122.820 -0.047 0.000 1.854 427 A HA 0.024 4.351 4.320 0.011 0.000 0.214 427 A C 2.295 179.846 177.584 -0.055 0.000 1.192 427 A CA 1.624 53.635 52.037 -0.043 0.000 0.611 427 A CB -0.741 18.238 19.000 -0.034 0.000 0.832 427 A HN 0.526 nan 8.150 nan 0.000 0.442 428 E N 0.419 120.577 120.200 -0.070 0.000 2.118 428 E HA -0.151 4.205 4.350 0.011 0.000 0.195 428 E C 1.885 178.434 176.600 -0.086 0.000 0.992 428 E CA 1.057 57.401 56.400 -0.092 0.000 0.804 428 E CB -0.478 29.155 29.700 -0.111 0.000 0.741 428 E HN 0.640 nan 8.360 nan 0.000 0.458 429 L N -0.319 120.867 121.223 -0.062 0.000 2.046 429 L HA -0.217 4.130 4.340 0.011 0.000 0.208 429 L C 2.358 179.208 176.870 -0.034 0.000 1.077 429 L CA 1.005 55.824 54.840 -0.035 0.000 0.747 429 L CB -0.441 41.628 42.059 0.016 0.000 0.896 429 L HN 0.262 nan 8.230 nan 0.000 0.432 430 C N -0.166 119.111 119.300 -0.039 0.000 2.429 430 C HA -0.165 4.301 4.460 0.011 0.000 0.277 430 C C 2.783 177.747 174.990 -0.042 0.000 1.262 430 C CA 1.090 60.084 59.018 -0.041 0.000 1.733 430 C CB -0.641 27.073 27.740 -0.043 0.000 2.010 430 C HN 0.548 nan 8.230 nan 0.000 0.483 431 E N 0.642 120.811 120.200 -0.051 0.000 2.204 431 E HA -0.171 4.186 4.350 0.011 0.000 0.194 431 E C 2.048 178.612 176.600 -0.060 0.000 0.989 431 E CA 1.101 57.467 56.400 -0.057 0.000 0.824 431 E CB -0.455 29.204 29.700 -0.069 0.000 0.756 431 E HN 0.638 nan 8.360 nan 0.000 0.477 432 M N -0.731 118.831 119.600 -0.064 0.000 2.236 432 M HA 0.019 4.506 4.480 0.011 0.000 0.266 432 M C 1.317 177.599 176.300 -0.030 0.000 1.070 432 M CA 1.233 56.497 55.300 -0.060 0.000 1.137 432 M CB 0.161 32.717 32.600 -0.073 0.000 1.378 432 M HN 0.161 nan 8.290 nan 0.000 0.426 433 M N -0.760 118.827 119.600 -0.022 0.000 2.431 433 M HA 0.238 4.725 4.480 0.011 0.000 0.237 433 M C 1.007 177.300 176.300 -0.013 0.000 1.130 433 M CA 0.527 55.823 55.300 -0.007 0.000 1.002 433 M CB 0.401 33.001 32.600 0.000 0.000 1.524 433 M HN 0.544 nan 8.290 nan 0.000 0.482 434 G N 1.151 109.938 108.800 -0.023 0.000 2.155 434 G HA2 -0.222 3.745 3.960 0.011 0.000 0.257 434 G HA3 -0.222 3.745 3.960 0.011 0.000 0.257 434 G C 0.120 175.006 174.900 -0.024 0.000 0.983 434 G CA -0.123 44.963 45.100 -0.023 0.000 0.676 434 G HN 0.349 nan 8.290 nan 0.000 0.528 435 V N 2.125 122.022 119.914 -0.028 0.000 2.486 435 V HA 0.197 4.324 4.120 0.011 0.000 0.290 435 V C 1.291 177.368 176.094 -0.029 0.000 0.991 435 V CA 1.376 63.658 62.300 -0.031 0.000 1.142 435 V CB -0.074 31.726 31.823 -0.039 0.000 0.926 435 V HN 0.761 nan 8.190 nan 0.000 0.472 436 K N 3.988 124.372 120.400 -0.025 0.000 2.526 436 K HA 0.753 5.080 4.320 0.011 0.000 0.256 436 K C -0.185 176.402 176.600 -0.023 0.000 1.035 436 K CA -0.610 55.663 56.287 -0.024 0.000 1.011 436 K CB 1.063 33.551 32.500 -0.019 0.000 1.343 436 K HN 0.506 nan 8.250 nan 0.000 0.510 437 D N 0.000 120.388 120.400 -0.020 0.000 6.856 437 D HA 0.000 4.647 4.640 0.011 0.000 0.175 437 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 437 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683