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 2zh6_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 0.000 176.268 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 K N 1.377 121.744 120.400 -0.055 0.000 2.316 2 K HA 0.609 4.908 4.320 -0.036 0.000 0.251 2 K C 1.097 177.652 176.600 -0.074 0.000 0.934 2 K CA -0.548 55.693 56.287 -0.077 0.000 0.802 2 K CB 2.603 35.069 32.500 -0.056 0.000 1.171 2 K HN 0.372 nan 8.250 nan 0.000 0.426 3 V N 0.802 120.650 119.914 -0.110 0.000 2.242 3 V HA -0.367 3.732 4.120 -0.036 0.000 0.257 3 V C 1.902 178.004 176.094 0.013 0.000 1.073 3 V CA 2.291 64.561 62.300 -0.051 0.000 1.058 3 V CB -1.022 30.777 31.823 -0.040 0.000 0.664 3 V HN 1.032 nan 8.190 nan 0.000 0.451 4 E N 0.155 120.351 120.200 -0.008 0.000 2.063 4 E HA -0.302 4.026 4.350 -0.036 0.000 0.221 4 E C 2.371 178.963 176.600 -0.014 0.000 1.052 4 E CA 2.253 58.649 56.400 -0.006 0.000 0.891 4 E CB -0.261 29.429 29.700 -0.017 0.000 0.792 4 E HN 0.800 nan 8.360 nan 0.000 0.482 5 E N 0.294 120.481 120.200 -0.022 0.000 2.097 5 E HA -0.218 4.110 4.350 -0.036 0.000 0.196 5 E C 2.223 178.803 176.600 -0.032 0.000 1.000 5 E CA 0.855 57.239 56.400 -0.027 0.000 0.804 5 E CB -0.363 29.322 29.700 -0.024 0.000 0.740 5 E HN 0.385 nan 8.360 nan 0.000 0.454 6 I N 1.260 121.820 120.570 -0.017 0.000 2.127 6 I HA -0.247 3.901 4.170 -0.036 0.000 0.241 6 I C 2.622 178.689 176.117 -0.083 0.000 1.075 6 I CA 1.097 62.392 61.300 -0.008 0.000 1.334 6 I CB -1.168 36.872 38.000 0.067 0.000 1.040 6 I HN 0.098 nan 8.210 nan 0.000 0.405 7 L N 0.132 121.321 121.223 -0.055 0.000 2.191 7 L HA -0.185 4.133 4.340 -0.036 0.000 0.212 7 L C 2.580 179.340 176.870 -0.183 0.000 1.103 7 L CA 1.035 55.780 54.840 -0.159 0.000 0.769 7 L CB -0.577 41.466 42.059 -0.025 0.000 0.908 7 L HN 0.344 nan 8.230 nan 0.000 0.438 8 E N 1.103 121.236 120.200 -0.112 0.000 2.072 8 E HA -0.197 4.131 4.350 -0.036 0.000 0.191 8 E C 2.011 178.538 176.600 -0.121 0.000 0.985 8 E CA 1.218 57.559 56.400 -0.099 0.000 0.801 8 E CB 0.184 29.846 29.700 -0.063 0.000 0.750 8 E HN 0.469 nan 8.360 nan 0.000 0.452 9 K N 0.049 120.375 120.400 -0.123 0.000 2.103 9 K HA -0.006 4.292 4.320 -0.036 0.000 0.204 9 K C 2.141 178.630 176.600 -0.186 0.000 1.052 9 K CA 0.832 57.048 56.287 -0.119 0.000 0.945 9 K CB -0.080 32.371 32.500 -0.081 0.000 0.722 9 K HN 0.054 nan 8.250 nan 0.000 0.443 10 A N 1.555 124.181 122.820 -0.323 0.000 2.019 10 A HA -0.120 4.179 4.320 -0.036 0.000 0.219 10 A C 2.040 179.408 177.584 -0.361 0.000 1.164 10 A CA 1.119 52.841 52.037 -0.526 0.000 0.644 10 A CB -0.615 17.668 19.000 -1.195 0.000 0.805 10 A HN 0.164 nan 8.150 nan 0.000 0.449 11 L N -0.716 120.347 121.223 -0.267 0.000 2.131 11 L HA -0.215 4.104 4.340 -0.036 0.000 0.210 11 L C 2.374 179.160 176.870 -0.140 0.000 1.092 11 L CA 1.544 56.270 54.840 -0.190 0.000 0.759 11 L CB -0.626 41.345 42.059 -0.148 0.000 0.903 11 L HN 0.473 nan 8.230 nan 0.000 0.435 12 E N 0.122 120.249 120.200 -0.122 0.000 2.265 12 E HA -0.174 4.154 4.350 -0.036 0.000 0.196 12 E C 2.165 178.725 176.600 -0.067 0.000 0.996 12 E CA 0.876 57.227 56.400 -0.081 0.000 0.832 12 E CB -0.006 29.655 29.700 -0.065 0.000 0.756 12 E HN 0.528 nan 8.360 nan 0.000 0.491 13 L N 0.004 121.177 121.223 -0.083 0.000 2.354 13 L HA -0.002 4.316 4.340 -0.036 0.000 0.212 13 L C 2.199 179.047 176.870 -0.037 0.000 1.091 13 L CA 0.265 55.080 54.840 -0.042 0.000 0.828 13 L CB 0.146 42.193 42.059 -0.020 0.000 0.973 13 L HN 0.115 nan 8.230 nan 0.000 0.461 14 V N -3.830 116.037 119.914 -0.078 0.000 3.431 14 V HA 0.221 4.319 4.120 -0.036 0.000 0.253 14 V C 1.107 177.128 176.094 -0.122 0.000 1.184 14 V CA -0.149 62.103 62.300 -0.080 0.000 1.104 14 V CB 0.016 31.784 31.823 -0.092 0.000 0.799 14 V HN 0.056 nan 8.190 nan 0.000 0.462 15 I N 2.871 123.361 120.570 -0.132 0.000 2.371 15 I HA 0.362 4.510 4.170 -0.036 0.000 0.290 15 I C -2.382 173.647 176.117 -0.146 0.000 1.028 15 I CA -1.850 59.347 61.300 -0.172 0.000 1.345 15 I CB 1.209 39.121 38.000 -0.147 0.000 1.407 15 I HN 0.080 nan 8.210 nan 0.000 0.501 16 P HA 0.016 nan 4.420 nan 0.000 0.271 16 P C -0.720 176.564 177.300 -0.028 0.000 1.220 16 P CA -0.265 62.786 63.100 -0.082 0.000 0.768 16 P CB 0.335 31.951 31.700 -0.139 0.000 0.848 17 D N 2.653 123.072 120.400 0.031 0.000 2.363 17 D HA -0.050 4.568 4.640 -0.036 0.000 0.240 17 D C 0.628 176.963 176.300 0.058 0.000 1.236 17 D CA -0.147 53.871 54.000 0.030 0.000 0.927 17 D CB 1.007 41.830 40.800 0.039 0.000 1.150 17 D HN 0.411 nan 8.370 nan 0.000 0.458 18 E N -0.225 120.001 120.200 0.044 0.000 2.160 18 E HA -0.201 4.128 4.350 -0.036 0.000 0.195 18 E C 1.677 178.325 176.600 0.081 0.000 0.991 18 E CA 1.089 57.523 56.400 0.056 0.000 0.810 18 E CB 0.113 29.835 29.700 0.036 0.000 0.742 18 E HN 0.435 nan 8.360 nan 0.000 0.466 19 E N 0.724 120.968 120.200 0.074 0.000 2.072 19 E HA -0.188 4.141 4.350 -0.036 0.000 0.191 19 E C 1.902 178.566 176.600 0.107 0.000 0.985 19 E CA 0.796 57.242 56.400 0.076 0.000 0.801 19 E CB -0.176 29.560 29.700 0.059 0.000 0.750 19 E HN 0.359 nan 8.360 nan 0.000 0.452 20 E N 0.591 120.876 120.200 0.141 0.000 2.106 20 E HA -0.116 4.212 4.350 -0.036 0.000 0.192 20 E C 2.067 178.841 176.600 0.289 0.000 0.984 20 E CA 0.738 57.259 56.400 0.201 0.000 0.806 20 E CB 0.274 30.128 29.700 0.258 0.000 0.750 20 E HN -0.011 nan 8.360 nan 0.000 0.458 21 V N 1.068 121.175 119.914 0.321 0.000 2.358 21 V HA -0.233 3.865 4.120 -0.036 0.000 0.246 21 V C 2.561 178.812 176.094 0.261 0.000 1.047 21 V CA 1.966 64.512 62.300 0.410 0.000 1.035 21 V CB -0.547 31.445 31.823 0.281 0.000 0.658 21 V HN 0.264 nan 8.190 nan 0.000 0.452 22 R N 0.273 120.871 120.500 0.163 0.000 2.081 22 R HA -0.213 4.106 4.340 -0.036 0.000 0.235 22 R C 2.431 178.781 176.300 0.083 0.000 1.131 22 R CA 1.963 58.128 56.100 0.108 0.000 0.960 22 R CB -0.237 30.108 30.300 0.076 0.000 0.856 22 R HN 0.449 nan 8.270 nan 0.000 0.436 23 K N -0.713 119.733 120.400 0.077 0.000 2.103 23 K HA -0.114 4.184 4.320 -0.036 0.000 0.207 23 K C 1.866 178.453 176.600 -0.022 0.000 1.048 23 K CA 1.650 57.954 56.287 0.028 0.000 0.930 23 K CB -0.257 32.263 32.500 0.033 0.000 0.716 23 K HN 0.356 nan 8.250 nan 0.000 0.444 24 G N 0.715 109.509 108.800 -0.010 0.000 2.394 24 G HA2 -0.178 3.760 3.960 -0.036 0.000 0.215 24 G HA3 -0.178 3.760 3.960 -0.036 0.000 0.215 24 G C 1.434 176.305 174.900 -0.048 0.000 1.165 24 G CA 0.056 45.059 45.100 -0.162 0.000 0.784 24 G HN 0.145 nan 8.290 nan 0.000 0.535 25 R N 0.503 121.089 120.500 0.144 0.000 2.081 25 R HA -0.039 4.279 4.340 -0.036 0.000 0.235 25 R C 2.296 178.624 176.300 0.048 0.000 1.131 25 R CA 1.260 57.451 56.100 0.151 0.000 0.960 25 R CB -0.681 29.698 30.300 0.132 0.000 0.856 25 R HN 0.546 nan 8.270 nan 0.000 0.436 26 E N 0.392 120.606 120.200 0.024 0.000 2.077 26 E HA -0.123 4.205 4.350 -0.036 0.000 0.193 26 E C 1.839 178.425 176.600 -0.024 0.000 0.989 26 E CA 1.088 57.489 56.400 0.003 0.000 0.800 26 E CB 0.043 29.746 29.700 0.005 0.000 0.746 26 E HN 0.315 nan 8.360 nan 0.000 0.452 27 A N 0.988 123.771 122.820 -0.061 0.000 1.930 27 A HA -0.199 4.099 4.320 -0.036 0.000 0.217 27 A C 2.032 179.570 177.584 -0.075 0.000 1.175 27 A CA 1.420 53.402 52.037 -0.091 0.000 0.627 27 A CB -0.450 18.454 19.000 -0.161 0.000 0.815 27 A HN 0.364 nan 8.150 nan 0.000 0.443 28 E N -0.162 119.985 120.200 -0.090 0.000 2.031 28 E HA -0.267 4.061 4.350 -0.036 0.000 0.193 28 E C 2.029 178.618 176.600 -0.019 0.000 0.994 28 E CA 1.460 57.830 56.400 -0.049 0.000 0.800 28 E CB -0.195 29.487 29.700 -0.030 0.000 0.752 28 E HN 0.748 nan 8.360 nan 0.000 0.447 29 E N 0.175 120.364 120.200 -0.019 0.000 2.085 29 E HA -0.278 4.050 4.350 -0.036 0.000 0.194 29 E C 1.986 178.592 176.600 0.010 0.000 0.994 29 E CA 1.608 58.006 56.400 -0.003 0.000 0.801 29 E CB -0.028 29.673 29.700 0.001 0.000 0.743 29 E HN 0.118 nan 8.360 nan 0.000 0.453 30 E N 0.137 120.338 120.200 0.001 0.000 2.072 30 E HA -0.160 4.169 4.350 -0.036 0.000 0.191 30 E C 1.939 178.537 176.600 -0.004 0.000 0.985 30 E CA 0.673 57.072 56.400 -0.003 0.000 0.801 30 E CB -0.299 29.392 29.700 -0.015 0.000 0.750 30 E HN 0.214 nan 8.360 nan 0.000 0.452 31 L N 1.060 122.289 121.223 0.011 0.000 1.989 31 L HA -0.167 4.151 4.340 -0.036 0.000 0.211 31 L C 2.366 179.212 176.870 -0.040 0.000 1.071 31 L CA 1.751 56.587 54.840 -0.006 0.000 0.749 31 L CB -1.177 40.941 42.059 0.098 0.000 0.890 31 L HN 0.207 nan 8.230 nan 0.000 0.431 32 R N -0.358 120.176 120.500 0.058 0.000 2.112 32 R HA -0.214 4.104 4.340 -0.036 0.000 0.242 32 R C 2.225 178.550 176.300 0.041 0.000 1.137 32 R CA 1.790 57.935 56.100 0.074 0.000 0.944 32 R CB -0.582 29.800 30.300 0.138 0.000 0.857 32 R HN 0.437 nan 8.270 nan 0.000 0.435 33 R N 0.096 120.616 120.500 0.033 0.000 2.091 33 R HA -0.095 4.224 4.340 -0.036 0.000 0.238 33 R C 2.464 178.768 176.300 0.006 0.000 1.136 33 R CA 1.442 57.558 56.100 0.027 0.000 0.959 33 R CB -0.260 30.052 30.300 0.019 0.000 0.856 33 R HN 0.268 nan 8.270 nan 0.000 0.437 34 R N 0.377 120.864 120.500 -0.023 0.000 2.092 34 R HA -0.048 4.270 4.340 -0.036 0.000 0.231 34 R C 2.303 178.574 176.300 -0.049 0.000 1.119 34 R CA 1.062 57.141 56.100 -0.035 0.000 0.970 34 R CB -0.303 29.967 30.300 -0.051 0.000 0.864 34 R HN 0.202 nan 8.270 nan 0.000 0.440 35 L N 0.649 121.809 121.223 -0.104 0.000 2.072 35 L HA -0.146 4.172 4.340 -0.036 0.000 0.205 35 L C 1.693 178.595 176.870 0.053 0.000 1.079 35 L CA 1.049 55.814 54.840 -0.125 0.000 0.752 35 L CB -0.307 41.441 42.059 -0.519 0.000 0.906 35 L HN 0.124 nan 8.230 nan 0.000 0.436 36 D N -0.280 120.186 120.400 0.110 0.000 2.178 36 D HA -0.202 4.416 4.640 -0.036 0.000 0.202 36 D C 1.974 178.319 176.300 0.076 0.000 0.974 36 D CA 0.921 55.010 54.000 0.148 0.000 0.841 36 D CB 0.037 40.922 40.800 0.142 0.000 0.953 36 D HN 0.223 nan 8.370 nan 0.000 0.478 37 E N 0.462 120.689 120.200 0.045 0.000 2.338 37 E HA -0.059 4.269 4.350 -0.036 0.000 0.197 37 E C 1.673 178.288 176.600 0.025 0.000 1.007 37 E CA 0.484 56.901 56.400 0.028 0.000 0.849 37 E CB -0.172 29.538 29.700 0.016 0.000 0.774 37 E HN 0.279 nan 8.360 nan 0.000 0.506 38 L N -1.347 119.893 121.223 0.028 0.000 2.640 38 L HA 0.318 4.636 4.340 -0.036 0.000 0.230 38 L C 1.212 178.102 176.870 0.033 0.000 1.123 38 L CA 0.166 55.019 54.840 0.023 0.000 0.900 38 L CB 0.151 42.216 42.059 0.010 0.000 1.146 38 L HN 0.286 nan 8.230 nan 0.000 0.484 39 G N 1.390 110.219 108.800 0.049 0.000 2.305 39 G HA2 -0.238 3.700 3.960 -0.036 0.000 0.287 39 G HA3 -0.238 3.700 3.960 -0.036 0.000 0.287 39 G C 0.045 174.966 174.900 0.036 0.000 1.036 39 G CA 0.225 45.351 45.100 0.044 0.000 0.887 39 G HN 0.130 nan 8.290 nan 0.000 0.505 40 V N -0.346 119.611 119.914 0.072 0.000 2.743 40 V HA 0.453 4.551 4.120 -0.036 0.000 0.301 40 V C 0.747 176.881 176.094 0.067 0.000 1.057 40 V CA -0.653 61.673 62.300 0.043 0.000 1.006 40 V CB 1.959 33.808 31.823 0.043 0.000 1.024 40 V HN 0.443 nan 8.190 nan 0.000 0.473 41 E N 2.765 122.916 120.200 -0.082 0.000 2.167 41 E HA 0.475 4.803 4.350 -0.036 0.000 0.284 41 E C -1.577 174.957 176.600 -0.111 0.000 1.016 41 E CA -0.329 55.969 56.400 -0.170 0.000 0.817 41 E CB 0.900 30.471 29.700 -0.216 0.000 1.080 41 E HN 0.640 nan 8.360 nan 0.000 0.397 42 Y N 0.854 121.087 120.300 -0.112 0.000 2.677 42 Y HA 0.752 5.280 4.550 -0.037 0.000 0.334 42 Y C -1.512 174.360 175.900 -0.047 0.000 1.154 42 Y CA -1.248 56.787 58.100 -0.108 0.000 1.070 42 Y CB 1.286 39.666 38.460 -0.134 0.000 1.294 42 Y HN 0.155 nan 8.280 nan 0.000 0.475 43 V N 1.758 121.773 119.914 0.168 0.000 2.817 43 V HA 0.486 4.584 4.120 -0.036 0.000 0.303 43 V C -1.936 174.209 176.094 0.084 0.000 1.151 43 V CA -0.981 61.395 62.300 0.127 0.000 0.929 43 V CB 1.555 33.382 31.823 0.007 0.000 1.030 43 V HN 0.678 nan 8.190 nan 0.000 0.427 44 F N 6.479 126.461 119.950 0.053 0.000 2.438 44 F HA 0.636 5.141 4.527 -0.037 0.000 0.356 44 F C 0.603 176.247 175.800 -0.261 0.000 1.099 44 F CA 0.326 58.325 58.000 -0.002 0.000 1.185 44 F CB 1.541 40.587 39.000 0.076 0.000 1.115 44 F HN 0.548 nan 8.300 nan 0.000 0.526 45 V N 0.599 120.429 119.914 -0.140 0.000 3.139 45 V HA 1.041 5.139 4.120 -0.036 0.000 0.310 45 V C 0.354 176.392 176.094 -0.092 0.000 1.260 45 V CA -0.480 61.600 62.300 -0.366 0.000 1.064 45 V CB 0.897 32.405 31.823 -0.525 0.000 1.160 45 V HN 1.220 nan 8.190 nan 0.000 0.470 46 G N 0.281 109.066 108.800 -0.025 0.000 2.697 46 G HA2 -0.203 3.735 3.960 -0.036 0.000 0.240 46 G HA3 -0.203 3.735 3.960 -0.036 0.000 0.240 46 G C 0.735 175.771 174.900 0.226 0.000 1.346 46 G CA 0.566 45.739 45.100 0.121 0.000 0.887 46 G HN 1.660 nan 8.290 nan 0.000 0.569 47 S N -1.212 114.651 115.700 0.272 0.000 2.390 47 S HA -0.282 4.166 4.470 -0.036 0.000 0.234 47 S C 1.884 176.737 174.600 0.422 0.000 1.063 47 S CA 2.800 61.211 58.200 0.353 0.000 1.108 47 S CB -0.496 62.944 63.200 0.401 0.000 0.975 47 S HN 0.823 nan 8.310 nan 0.000 0.442 48 Y N 1.851 122.306 120.300 0.259 0.000 2.145 48 Y HA -0.079 4.449 4.550 -0.036 0.000 0.286 48 Y C 2.387 178.439 175.900 0.253 0.000 1.145 48 Y CA 1.068 59.306 58.100 0.231 0.000 1.148 48 Y CB -0.908 37.561 38.460 0.015 0.000 0.981 48 Y HN 0.219 nan 8.280 nan 0.000 0.507 49 A N 0.143 123.029 122.820 0.109 0.000 2.019 49 A HA -0.144 4.154 4.320 -0.036 0.000 0.219 49 A C 2.155 179.817 177.584 0.129 0.000 1.164 49 A CA 1.691 53.750 52.037 0.036 0.000 0.644 49 A CB -0.444 18.551 19.000 -0.007 0.000 0.805 49 A HN 0.541 nan 8.150 nan 0.000 0.449 50 R N -1.884 118.733 120.500 0.196 0.000 2.362 50 R HA 0.145 4.463 4.340 -0.036 0.000 0.227 50 R C -0.240 176.130 176.300 0.116 0.000 0.905 50 R CA 0.236 56.444 56.100 0.179 0.000 1.067 50 R CB 0.056 30.488 30.300 0.219 0.000 1.078 50 R HN 0.522 nan 8.270 nan 0.000 0.516 51 N N 0.467 119.252 118.700 0.140 0.000 2.738 51 N HA -0.141 4.577 4.740 -0.036 0.000 0.249 51 N C -0.418 175.110 175.510 0.031 0.000 1.047 51 N CA 1.342 54.457 53.050 0.108 0.000 0.707 51 N CB -0.755 37.728 38.487 -0.006 0.000 0.937 51 N HN 0.402 nan 8.380 nan 0.000 0.545 52 T N -4.171 110.474 114.554 0.152 0.000 3.288 52 T HA 0.258 4.586 4.350 -0.036 0.000 0.293 52 T C 0.019 174.823 174.700 0.174 0.000 1.008 52 T CA -0.742 61.418 62.100 0.100 0.000 0.929 52 T CB -0.534 68.424 68.868 0.149 0.000 1.152 52 T HN 0.429 nan 8.240 nan 0.000 0.517 53 W N 1.670 123.040 121.300 0.117 0.000 2.261 53 W HA 0.716 5.355 4.660 -0.035 0.000 0.323 53 W C -0.669 175.902 176.519 0.087 0.000 1.243 53 W CA -2.081 55.342 57.345 0.131 0.000 1.210 53 W CB 0.396 29.963 29.460 0.178 0.000 1.149 53 W HN 0.025 nan 8.180 nan 0.000 0.562 54 L N 5.142 126.505 121.223 0.233 0.000 2.380 54 L HA 0.199 4.517 4.340 -0.036 0.000 0.273 54 L C 0.856 177.828 176.870 0.171 0.000 1.138 54 L CA -0.541 54.341 54.840 0.071 0.000 0.832 54 L CB 0.408 42.483 42.059 0.026 0.000 1.124 54 L HN 0.637 nan 8.230 nan 0.000 0.454 55 K N 4.084 124.498 120.400 0.023 0.000 2.473 55 K HA 0.163 4.461 4.320 -0.036 0.000 0.277 55 K C 0.960 177.660 176.600 0.166 0.000 1.052 55 K CA 1.057 57.402 56.287 0.097 0.000 1.114 55 K CB -0.229 32.280 32.500 0.015 0.000 0.869 55 K HN 0.945 nan 8.250 nan 0.000 0.481 56 G N 2.602 111.544 108.800 0.238 0.000 2.217 56 G HA2 -0.239 3.700 3.960 -0.036 0.000 0.246 56 G HA3 -0.239 3.700 3.960 -0.036 0.000 0.246 56 G C 0.167 175.176 174.900 0.182 0.000 0.990 56 G CA 0.324 45.530 45.100 0.177 0.000 0.627 56 G HN 0.579 nan 8.290 nan 0.000 0.522 57 S N 0.288 116.137 115.700 0.248 0.000 2.499 57 S HA 0.492 4.940 4.470 -0.036 0.000 0.238 57 S C -0.057 174.677 174.600 0.223 0.000 1.205 57 S CA -0.298 58.032 58.200 0.217 0.000 1.203 57 S CB 0.860 64.185 63.200 0.208 0.000 0.954 57 S HN 0.803 nan 8.310 nan 0.000 0.484 58 L N 2.737 124.019 121.223 0.098 0.000 2.360 58 L HA 0.487 4.806 4.340 -0.036 0.000 0.276 58 L C -0.006 176.761 176.870 -0.173 0.000 1.121 58 L CA 0.727 55.406 54.840 -0.269 0.000 0.845 58 L CB 0.391 42.095 42.059 -0.592 0.000 1.143 58 L HN 0.267 nan 8.230 nan 0.000 0.452 59 E N 5.281 125.396 120.200 -0.141 0.000 2.278 59 E HA 0.378 4.706 4.350 -0.036 0.000 0.272 59 E C -1.399 175.152 176.600 -0.082 0.000 0.890 59 E CA -0.622 55.742 56.400 -0.059 0.000 0.770 59 E CB 1.417 31.166 29.700 0.081 0.000 1.212 59 E HN 0.691 nan 8.360 nan 0.000 0.415 60 I N 3.566 124.047 120.570 -0.150 0.000 2.365 60 I HA 0.216 4.364 4.170 -0.036 0.000 0.291 60 I C -0.311 175.802 176.117 -0.006 0.000 1.004 60 I CA -0.441 60.796 61.300 -0.104 0.000 1.311 60 I CB 1.037 38.892 38.000 -0.242 0.000 1.401 60 I HN 0.328 nan 8.210 nan 0.000 0.491 61 D N 6.707 127.155 120.400 0.081 0.000 2.303 61 D HA 0.337 4.955 4.640 -0.036 0.000 0.236 61 D C -0.701 175.591 176.300 -0.013 0.000 1.068 61 D CA -0.176 53.871 54.000 0.078 0.000 0.830 61 D CB 2.691 43.576 40.800 0.142 0.000 1.109 61 D HN 0.074 nan 8.370 nan 0.000 0.496 62 V N 3.385 123.247 119.914 -0.088 0.000 2.409 62 V HA 0.322 4.420 4.120 -0.036 0.000 0.291 62 V C -0.499 175.611 176.094 0.026 0.000 1.020 62 V CA -0.763 61.372 62.300 -0.274 0.000 0.848 62 V CB 1.124 32.653 31.823 -0.489 0.000 0.990 62 V HN 0.333 nan 8.190 nan 0.000 0.430 63 F N 4.891 124.725 119.950 -0.194 0.000 2.411 63 F HA 0.563 5.069 4.527 -0.036 0.000 0.352 63 F C 0.160 175.911 175.800 -0.082 0.000 1.123 63 F CA -0.977 56.961 58.000 -0.105 0.000 1.044 63 F CB 1.544 40.487 39.000 -0.095 0.000 1.135 63 F HN 0.263 nan 8.300 nan 0.000 0.461 64 L N 5.730 126.914 121.223 -0.065 0.000 2.283 64 L HA 0.267 4.586 4.340 -0.036 0.000 0.287 64 L C -0.751 175.997 176.870 -0.202 0.000 1.073 64 L CA -0.778 53.980 54.840 -0.136 0.000 0.822 64 L CB 0.324 42.324 42.059 -0.099 0.000 1.186 64 L HN 0.296 nan 8.230 nan 0.000 0.436 65 L N 4.793 125.855 121.223 -0.268 0.000 2.313 65 L HA 0.364 4.682 4.340 -0.036 0.000 0.282 65 L C -0.302 176.278 176.870 -0.484 0.000 1.092 65 L CA 0.689 55.392 54.840 -0.229 0.000 0.831 65 L CB 0.026 41.995 42.059 -0.151 0.000 1.159 65 L HN 0.233 nan 8.230 nan 0.000 0.442 66 F N 3.727 123.550 119.950 -0.212 0.000 2.546 66 F HA 0.557 5.062 4.527 -0.037 0.000 0.320 66 F C -1.940 173.668 175.800 -0.321 0.000 1.076 66 F CA -2.383 55.389 58.000 -0.380 0.000 0.928 66 F CB 1.385 40.117 39.000 -0.447 0.000 1.189 66 F HN 0.353 nan 8.300 nan 0.000 0.465 67 P HA 0.064 nan 4.420 nan 0.000 0.268 67 P C 0.248 177.629 177.300 0.135 0.000 1.205 67 P CA 0.175 63.176 63.100 -0.164 0.000 0.771 67 P CB 0.592 32.107 31.700 -0.309 0.000 0.858 68 E N 1.637 121.957 120.200 0.199 0.000 2.160 68 E HA -0.248 4.080 4.350 -0.036 0.000 0.195 68 E C 1.100 177.799 176.600 0.166 0.000 0.991 68 E CA 1.377 57.886 56.400 0.181 0.000 0.810 68 E CB -0.144 29.583 29.700 0.046 0.000 0.742 68 E HN 0.558 nan 8.360 nan 0.000 0.466 69 E N 0.190 120.533 120.200 0.238 0.000 2.204 69 E HA -0.076 4.253 4.350 -0.036 0.000 0.194 69 E C 0.168 177.002 176.600 0.391 0.000 0.989 69 E CA 0.378 56.933 56.400 0.258 0.000 0.824 69 E CB -0.152 29.695 29.700 0.244 0.000 0.756 69 E HN 0.076 nan 8.360 nan 0.000 0.477 70 F N 1.210 121.284 119.950 0.207 0.000 2.589 70 F HA 0.013 4.518 4.527 -0.036 0.000 0.352 70 F C 1.269 177.201 175.800 0.219 0.000 1.168 70 F CA -0.404 57.709 58.000 0.188 0.000 1.353 70 F CB 0.196 39.294 39.000 0.163 0.000 1.116 70 F HN -0.250 nan 8.300 nan 0.000 0.608 71 S N 1.855 117.681 115.700 0.210 0.000 2.603 71 S HA 0.116 4.565 4.470 -0.036 0.000 0.268 71 S C 1.299 176.001 174.600 0.169 0.000 1.317 71 S CA -0.695 57.589 58.200 0.139 0.000 1.012 71 S CB 0.873 64.083 63.200 0.016 0.000 0.926 71 S HN 0.487 nan 8.310 nan 0.000 0.539 72 K N 1.463 121.959 120.400 0.159 0.000 2.283 72 K HA -0.086 4.212 4.320 -0.036 0.000 0.202 72 K C 1.319 177.902 176.600 -0.029 0.000 1.048 72 K CA 1.114 57.471 56.287 0.116 0.000 0.948 72 K CB -0.022 32.550 32.500 0.121 0.000 0.742 72 K HN 0.481 nan 8.250 nan 0.000 0.458 73 E N 0.936 121.120 120.200 -0.027 0.000 2.158 73 E HA -0.146 4.182 4.350 -0.036 0.000 0.191 73 E C 1.780 178.313 176.600 -0.112 0.000 0.982 73 E CA 0.792 57.154 56.400 -0.064 0.000 0.823 73 E CB 0.066 29.741 29.700 -0.042 0.000 0.766 73 E HN 0.179 nan 8.360 nan 0.000 0.468 74 E N 0.256 120.385 120.200 -0.117 0.000 2.106 74 E HA -0.110 4.219 4.350 -0.036 0.000 0.192 74 E C 1.640 178.065 176.600 -0.292 0.000 0.984 74 E CA 0.594 56.892 56.400 -0.169 0.000 0.806 74 E CB -0.138 29.454 29.700 -0.181 0.000 0.750 74 E HN 0.119 nan 8.360 nan 0.000 0.458 75 L N 0.608 121.597 121.223 -0.391 0.000 2.017 75 L HA -0.117 4.201 4.340 -0.036 0.000 0.208 75 L C 2.601 179.165 176.870 -0.509 0.000 1.073 75 L CA 1.952 56.351 54.840 -0.735 0.000 0.745 75 L CB -0.583 41.068 42.059 -0.681 0.000 0.894 75 L HN 0.106 nan 8.230 nan 0.000 0.432 76 R N -0.269 120.026 120.500 -0.343 0.000 2.082 76 R HA -0.206 4.112 4.340 -0.036 0.000 0.234 76 R C 2.184 178.362 176.300 -0.204 0.000 1.136 76 R CA 2.058 57.992 56.100 -0.276 0.000 0.935 76 R CB -0.285 29.897 30.300 -0.196 0.000 0.842 76 R HN 0.419 nan 8.270 nan 0.000 0.430 77 E N -0.407 119.697 120.200 -0.161 0.000 2.038 77 E HA -0.210 4.119 4.350 -0.036 0.000 0.195 77 E C 2.309 178.849 176.600 -0.099 0.000 1.000 77 E CA 1.080 57.413 56.400 -0.112 0.000 0.803 77 E CB -0.051 29.595 29.700 -0.090 0.000 0.750 77 E HN 0.227 nan 8.360 nan 0.000 0.448 78 R N 0.010 120.442 120.500 -0.114 0.000 2.066 78 R HA -0.060 4.258 4.340 -0.036 0.000 0.232 78 R C 2.433 178.756 176.300 0.038 0.000 1.131 78 R CA 1.316 57.411 56.100 -0.008 0.000 0.955 78 R CB -1.137 29.205 30.300 0.071 0.000 0.851 78 R HN 0.296 nan 8.270 nan 0.000 0.432 79 G N 1.012 109.787 108.800 -0.042 0.000 2.422 79 G HA2 -0.202 3.736 3.960 -0.036 0.000 0.218 79 G HA3 -0.202 3.736 3.960 -0.036 0.000 0.218 79 G C 1.602 176.462 174.900 -0.066 0.000 1.146 79 G CA 0.405 45.513 45.100 0.014 0.000 0.769 79 G HN 0.214 nan 8.290 nan 0.000 0.547 80 L N -0.038 121.114 121.223 -0.118 0.000 2.156 80 L HA 0.028 4.347 4.340 -0.036 0.000 0.208 80 L C 2.684 179.464 176.870 -0.150 0.000 1.095 80 L CA 1.153 55.906 54.840 -0.144 0.000 0.770 80 L CB -0.289 41.689 42.059 -0.134 0.000 0.914 80 L HN 0.354 nan 8.230 nan 0.000 0.439 81 E N 1.043 121.184 120.200 -0.098 0.000 2.047 81 E HA -0.206 4.122 4.350 -0.036 0.000 0.191 81 E C 2.327 178.878 176.600 -0.082 0.000 0.987 81 E CA 1.123 57.473 56.400 -0.084 0.000 0.799 81 E CB 0.029 29.706 29.700 -0.038 0.000 0.752 81 E HN 0.433 nan 8.360 nan 0.000 0.449 82 I N 0.699 121.242 120.570 -0.045 0.000 2.226 82 I HA -0.176 3.972 4.170 -0.036 0.000 0.245 82 I C 2.539 178.602 176.117 -0.089 0.000 1.100 82 I CA 1.163 62.436 61.300 -0.044 0.000 1.374 82 I CB -0.529 37.469 38.000 -0.004 0.000 1.057 82 I HN 0.257 nan 8.210 nan 0.000 0.413 83 G N 0.962 109.695 108.800 -0.112 0.000 2.446 83 G HA2 -0.242 3.697 3.960 -0.036 0.000 0.217 83 G HA3 -0.242 3.697 3.960 -0.036 0.000 0.217 83 G C 1.721 176.507 174.900 -0.189 0.000 1.168 83 G CA 0.647 45.663 45.100 -0.139 0.000 0.771 83 G HN 0.317 nan 8.290 nan 0.000 0.551 84 K N 0.613 120.829 120.400 -0.305 0.000 2.097 84 K HA 0.039 4.338 4.320 -0.036 0.000 0.206 84 K C 2.773 179.279 176.600 -0.156 0.000 1.049 84 K CA 0.985 56.998 56.287 -0.455 0.000 0.933 84 K CB -0.176 31.934 32.500 -0.650 0.000 0.717 84 K HN 0.289 nan 8.250 nan 0.000 0.442 85 A N 0.690 123.446 122.820 -0.107 0.000 2.167 85 A HA -0.011 4.287 4.320 -0.036 0.000 0.214 85 A C 1.877 179.441 177.584 -0.034 0.000 1.151 85 A CA 0.757 52.767 52.037 -0.045 0.000 0.735 85 A CB 0.172 19.148 19.000 -0.040 0.000 0.802 85 A HN 0.089 nan 8.150 nan 0.000 0.467 86 V N -0.268 119.614 119.914 -0.054 0.000 3.578 86 V HA 0.293 4.392 4.120 -0.036 0.000 0.290 86 V C -0.036 176.033 176.094 -0.042 0.000 1.376 86 V CA 0.284 62.550 62.300 -0.057 0.000 1.083 86 V CB -0.093 31.673 31.823 -0.095 0.000 0.911 86 V HN 0.415 nan 8.190 nan 0.000 0.433 87 L N -0.317 120.903 121.223 -0.005 0.000 2.346 87 L HA 0.512 4.830 4.340 -0.036 0.000 0.274 87 L C 0.876 177.783 176.870 0.061 0.000 1.007 87 L CA -0.711 54.143 54.840 0.023 0.000 0.818 87 L CB 1.711 43.802 42.059 0.053 0.000 1.284 87 L HN 0.015 nan 8.230 nan 0.000 0.424 88 D N 0.714 121.130 120.400 0.027 0.000 2.104 88 D HA -0.090 4.528 4.640 -0.036 0.000 0.194 88 D C 0.643 176.961 176.300 0.030 0.000 0.994 88 D CA 1.434 55.448 54.000 0.022 0.000 0.830 88 D CB 0.181 40.981 40.800 0.000 0.000 0.959 88 D HN 0.576 nan 8.370 nan 0.000 0.452 89 S N -0.941 114.776 115.700 0.028 0.000 2.546 89 S HA 0.589 5.037 4.470 -0.036 0.000 0.274 89 S C -0.870 173.758 174.600 0.046 0.000 1.121 89 S CA -1.029 57.156 58.200 -0.026 0.000 0.887 89 S CB 2.054 65.224 63.200 -0.050 0.000 1.094 89 S HN 0.275 nan 8.310 nan 0.000 0.474 90 Y N -0.854 119.450 120.300 0.006 0.000 2.669 90 Y HA 0.871 5.399 4.550 -0.037 0.000 0.335 90 Y C -0.849 175.075 175.900 0.039 0.000 1.116 90 Y CA -1.109 57.001 58.100 0.017 0.000 1.081 90 Y CB 1.241 39.700 38.460 -0.002 0.000 1.297 90 Y HN 0.843 nan 8.280 nan 0.000 0.484 91 E N 1.261 121.677 120.200 0.360 0.000 2.321 91 E HA 0.487 4.815 4.350 -0.036 0.000 0.281 91 E C -2.053 174.675 176.600 0.213 0.000 0.910 91 E CA -0.640 55.897 56.400 0.228 0.000 0.770 91 E CB 2.151 31.937 29.700 0.143 0.000 1.225 91 E HN 0.783 nan 8.360 nan 0.000 0.417 92 I N 4.155 124.819 120.570 0.156 0.000 2.382 92 I HA 0.456 4.604 4.170 -0.036 0.000 0.285 92 I C -0.310 175.797 176.117 -0.017 0.000 1.007 92 I CA -0.421 60.919 61.300 0.068 0.000 1.142 92 I CB 1.299 39.357 38.000 0.098 0.000 1.289 92 I HN 0.252 nan 8.210 nan 0.000 0.453 93 R N 6.946 127.404 120.500 -0.071 0.000 2.585 93 R HA 0.432 4.750 4.340 -0.036 0.000 0.288 93 R C -1.972 174.269 176.300 -0.099 0.000 1.194 93 R CA -0.587 55.427 56.100 -0.144 0.000 1.006 93 R CB 1.426 31.688 30.300 -0.063 0.000 1.229 93 R HN 0.615 nan 8.270 nan 0.000 0.412 94 Y N 0.158 120.393 120.300 -0.109 0.000 2.670 94 Y HA 0.710 5.238 4.550 -0.037 0.000 0.334 94 Y C -0.255 175.677 175.900 0.054 0.000 1.185 94 Y CA -0.613 57.485 58.100 -0.003 0.000 1.053 94 Y CB 1.109 39.536 38.460 -0.054 0.000 1.298 94 Y HN 0.296 nan 8.280 nan 0.000 0.459 95 A N -0.258 122.736 122.820 0.290 0.000 1.956 95 A HA 0.136 4.435 4.320 -0.036 0.000 0.212 95 A C 1.501 179.232 177.584 0.244 0.000 1.188 95 A CA 1.583 53.734 52.037 0.189 0.000 0.675 95 A CB -0.097 19.016 19.000 0.189 0.000 0.845 95 A HN 0.828 nan 8.150 nan 0.000 0.455 96 E N -1.817 118.612 120.200 0.381 0.000 3.566 96 E HA 0.004 4.333 4.350 -0.036 0.000 0.241 96 E C -0.386 176.385 176.600 0.285 0.000 1.208 96 E CA -0.299 56.285 56.400 0.307 0.000 1.773 96 E CB -0.194 29.634 29.700 0.214 0.000 1.818 96 E HN 0.492 nan 8.360 nan 0.000 0.865 97 H N 4.127 123.288 119.070 0.152 0.000 2.742 97 H HA 0.289 4.823 4.556 -0.036 0.000 0.302 97 H C -2.145 173.037 175.328 -0.245 0.000 1.069 97 H CA -1.532 54.513 56.048 -0.006 0.000 1.446 97 H CB 1.128 30.900 29.762 0.017 0.000 1.462 97 H HN 0.080 nan 8.280 nan 0.000 0.499 98 P HA 0.078 nan 4.420 nan 0.000 0.272 98 P C -1.356 175.596 177.300 -0.580 0.000 1.223 98 P CA 0.233 62.522 63.100 -1.353 0.000 0.784 98 P CB 0.914 32.038 31.700 -0.960 0.000 0.923 99 Y N -1.721 118.220 120.300 -0.597 0.000 2.717 99 Y HA 0.503 5.031 4.550 -0.036 0.000 0.345 99 Y C -2.105 173.737 175.900 -0.097 0.000 1.187 99 Y CA -1.326 56.621 58.100 -0.255 0.000 1.128 99 Y CB 0.089 38.468 38.460 -0.135 0.000 1.360 99 Y HN 0.133 nan 8.280 nan 0.000 0.467 100 V N 3.407 123.350 119.914 0.049 0.000 2.513 100 V HA 0.394 4.492 4.120 -0.036 0.000 0.299 100 V C -0.558 175.651 176.094 0.191 0.000 1.035 100 V CA -0.485 61.825 62.300 0.016 0.000 0.889 100 V CB 1.338 33.118 31.823 -0.071 0.000 0.988 100 V HN 0.942 nan 8.190 nan 0.000 0.440 101 H N 2.317 121.462 119.070 0.124 0.000 2.492 101 H HA 0.814 5.348 4.556 -0.037 0.000 0.345 101 H C -0.099 175.313 175.328 0.140 0.000 1.136 101 H CA 0.402 56.556 56.048 0.177 0.000 1.202 101 H CB 2.180 32.069 29.762 0.212 0.000 1.524 101 H HN 0.853 nan 8.280 nan 0.000 0.506 102 G N 1.987 110.563 108.800 -0.373 0.000 2.570 102 G HA2 0.414 4.352 3.960 -0.036 0.000 0.310 102 G HA3 0.414 4.352 3.960 -0.036 0.000 0.310 102 G C -1.825 172.958 174.900 -0.196 0.000 1.266 102 G CA -0.317 44.715 45.100 -0.114 0.000 0.825 102 G HN 0.530 nan 8.290 nan 0.000 0.483 103 V N -0.519 119.351 119.914 -0.073 0.000 2.789 103 V HA 0.759 4.857 4.120 -0.036 0.000 0.311 103 V C -0.658 175.402 176.094 -0.057 0.000 1.073 103 V CA -0.692 61.567 62.300 -0.068 0.000 0.921 103 V CB 1.830 33.639 31.823 -0.024 0.000 1.009 103 V HN 0.702 nan 8.190 nan 0.000 0.426 104 V N 3.438 123.310 119.914 -0.071 0.000 2.569 104 V HA 0.439 4.537 4.120 -0.036 0.000 0.301 104 V C 0.140 176.199 176.094 -0.058 0.000 1.044 104 V CA -1.165 61.099 62.300 -0.061 0.000 0.874 104 V CB 1.639 33.418 31.823 -0.074 0.000 1.002 104 V HN 0.923 nan 8.190 nan 0.000 0.424 105 K N 3.635 124.012 120.400 -0.038 0.000 3.100 105 K HA -0.281 4.017 4.320 -0.036 0.000 0.261 105 K C 1.170 177.749 176.600 -0.035 0.000 0.920 105 K CA 0.825 57.093 56.287 -0.031 0.000 0.683 105 K CB -1.304 31.177 32.500 -0.032 0.000 1.349 105 K HN 1.600 nan 8.250 nan 0.000 0.473 106 G N -1.360 107.421 108.800 -0.032 0.000 2.199 106 G HA2 -0.306 3.633 3.960 -0.036 0.000 0.254 106 G HA3 -0.306 3.633 3.960 -0.036 0.000 0.254 106 G C 0.093 174.969 174.900 -0.040 0.000 0.982 106 G CA 0.126 45.211 45.100 -0.026 0.000 0.632 106 G HN 0.897 nan 8.290 nan 0.000 0.529 107 V N -1.465 118.405 119.914 -0.074 0.000 2.581 107 V HA 0.812 4.910 4.120 -0.036 0.000 0.303 107 V C 0.216 176.242 176.094 -0.112 0.000 1.041 107 V CA -1.289 60.947 62.300 -0.106 0.000 0.907 107 V CB 1.864 33.574 31.823 -0.187 0.000 0.994 107 V HN 0.228 nan 8.190 nan 0.000 0.442 108 E N 3.019 123.168 120.200 -0.085 0.000 2.414 108 E HA 0.352 4.680 4.350 -0.036 0.000 0.263 108 E C -0.693 175.800 176.600 -0.179 0.000 1.000 108 E CA 0.137 56.485 56.400 -0.088 0.000 0.914 108 E CB 1.616 31.363 29.700 0.079 0.000 0.948 108 E HN 0.651 nan 8.360 nan 0.000 0.444 109 V N 2.814 122.537 119.914 -0.320 0.000 2.841 109 V HA 0.241 4.340 4.120 -0.036 0.000 0.310 109 V C -0.676 175.249 176.094 -0.282 0.000 1.090 109 V CA -0.914 61.237 62.300 -0.248 0.000 0.930 109 V CB 2.477 34.183 31.823 -0.196 0.000 1.014 109 V HN 0.517 nan 8.190 nan 0.000 0.425 110 D N 2.026 122.367 120.400 -0.098 0.000 2.481 110 D HA 0.502 5.120 4.640 -0.036 0.000 0.246 110 D C -0.829 175.462 176.300 -0.016 0.000 1.109 110 D CA -0.063 53.953 54.000 0.027 0.000 0.845 110 D CB 2.201 43.051 40.800 0.085 0.000 1.160 110 D HN 0.244 nan 8.370 nan 0.000 0.534 111 V N 3.404 123.314 119.914 -0.007 0.000 2.333 111 V HA 0.388 4.486 4.120 -0.036 0.000 0.274 111 V C 0.107 176.154 176.094 -0.080 0.000 1.028 111 V CA -0.576 61.677 62.300 -0.079 0.000 0.851 111 V CB 1.438 33.205 31.823 -0.094 0.000 1.000 111 V HN 0.253 nan 8.190 nan 0.000 0.456 112 V N 7.772 127.540 119.914 -0.244 0.000 2.604 112 V HA 0.519 4.618 4.120 -0.036 0.000 0.305 112 V C -2.593 173.232 176.094 -0.448 0.000 1.043 112 V CA -2.111 59.951 62.300 -0.396 0.000 0.888 112 V CB 2.364 33.710 31.823 -0.795 0.000 0.995 112 V HN 0.685 nan 8.190 nan 0.000 0.429 113 P HA 0.618 nan 4.420 nan 0.000 0.294 113 P C -1.055 176.219 177.300 -0.043 0.000 1.294 113 P CA -0.374 62.709 63.100 -0.028 0.000 0.827 113 P CB 1.120 32.768 31.700 -0.086 0.000 0.992 114 C N 1.479 120.791 119.300 0.020 0.000 3.318 114 C HA 0.598 5.036 4.460 -0.036 0.000 0.322 114 C C -1.228 173.764 174.990 0.003 0.000 1.398 114 C CA -1.085 57.945 59.018 0.019 0.000 1.339 114 C CB 0.303 28.118 27.740 0.125 0.000 1.668 114 C HN 0.446 nan 8.230 nan 0.000 0.462 115 Y N 1.746 122.146 120.300 0.168 0.000 2.316 115 Y HA 0.431 4.959 4.550 -0.037 0.000 0.331 115 Y C 1.065 177.033 175.900 0.113 0.000 1.083 115 Y CA -0.087 58.094 58.100 0.135 0.000 1.206 115 Y CB 0.980 39.506 38.460 0.110 0.000 1.195 115 Y HN 0.689 nan 8.280 nan 0.000 0.497 116 K N 4.490 125.009 120.400 0.197 0.000 2.183 116 K HA 0.405 4.703 4.320 -0.036 0.000 0.272 116 K C -1.153 175.539 176.600 0.154 0.000 1.113 116 K CA -0.087 56.268 56.287 0.113 0.000 0.949 116 K CB -0.136 32.370 32.500 0.010 0.000 1.365 116 K HN 0.592 nan 8.250 nan 0.000 0.420 117 L N 2.306 123.673 121.223 0.241 0.000 2.472 117 L HA 0.380 4.698 4.340 -0.036 0.000 0.256 117 L C 0.272 177.353 176.870 0.352 0.000 1.111 117 L CA -1.034 53.962 54.840 0.259 0.000 0.800 117 L CB 0.646 42.859 42.059 0.257 0.000 1.286 117 L HN 0.597 nan 8.230 nan 0.000 0.479 118 K N 1.158 121.715 120.400 0.262 0.000 2.450 118 K HA 0.368 4.666 4.320 -0.036 0.000 0.257 118 K C -1.327 175.354 176.600 0.135 0.000 0.953 118 K CA -0.357 56.081 56.287 0.253 0.000 0.844 118 K CB 1.813 34.399 32.500 0.142 0.000 1.103 118 K HN 0.576 nan 8.250 nan 0.000 0.429 119 E N 2.201 122.439 120.200 0.064 0.000 7.504 119 E HA -0.080 4.248 4.350 -0.036 0.000 0.337 119 E C -2.504 173.767 176.600 -0.547 0.000 0.701 119 E CA -0.042 56.207 56.400 -0.252 0.000 1.302 119 E CB -0.623 29.020 29.700 -0.096 0.000 0.927 119 E HN 0.539 nan 8.360 nan 0.000 0.263 120 P HA -0.038 nan 4.420 nan 0.000 0.285 120 P C 0.972 178.073 177.300 -0.331 0.000 1.521 120 P CA 0.237 62.873 63.100 -0.773 0.000 0.792 120 P CB 0.303 31.524 31.700 -0.798 0.000 1.613 121 K N 0.481 120.736 120.400 -0.241 0.000 1.983 121 K HA -0.082 4.217 4.320 -0.036 0.000 0.225 121 K C 0.967 177.512 176.600 -0.093 0.000 1.030 121 K CA 1.110 57.318 56.287 -0.132 0.000 1.027 121 K CB -1.100 31.345 32.500 -0.093 0.000 0.757 121 K HN 0.147 nan 8.250 nan 0.000 0.444 122 N N 1.684 120.343 118.700 -0.068 0.000 2.918 122 N HA 0.071 4.789 4.740 -0.036 0.000 0.247 122 N C -0.734 174.750 175.510 -0.042 0.000 1.117 122 N CA -0.231 52.790 53.050 -0.048 0.000 1.005 122 N CB 0.033 38.496 38.487 -0.039 0.000 1.297 122 N HN 0.028 nan 8.380 nan 0.000 0.513 123 I N 2.405 122.953 120.570 -0.036 0.000 2.948 123 I HA -0.184 3.965 4.170 -0.036 0.000 0.303 123 I C 1.750 177.866 176.117 -0.002 0.000 1.224 123 I CA 0.895 62.191 61.300 -0.006 0.000 1.442 123 I CB 0.688 38.687 38.000 -0.002 0.000 1.328 123 I HN 0.439 nan 8.210 nan 0.000 0.578 124 K N 3.399 123.805 120.400 0.011 0.000 2.287 124 K HA 0.126 4.424 4.320 -0.036 0.000 0.199 124 K C 0.501 177.169 176.600 0.113 0.000 1.061 124 K CA 0.444 56.703 56.287 -0.046 0.000 0.976 124 K CB 0.330 32.610 32.500 -0.367 0.000 0.898 124 K HN 0.750 nan 8.250 nan 0.000 0.492 125 S N -1.033 114.824 115.700 0.262 0.000 2.578 125 S HA 0.508 4.956 4.470 -0.036 0.000 0.301 125 S C 0.832 175.490 174.600 0.097 0.000 1.091 125 S CA -0.390 57.988 58.200 0.296 0.000 1.032 125 S CB 1.796 65.253 63.200 0.429 0.000 1.064 125 S HN 0.203 nan 8.310 nan 0.000 0.508 126 A N 1.319 124.160 122.820 0.034 0.000 2.131 126 A HA 0.022 4.321 4.320 -0.036 0.000 0.220 126 A C 1.701 179.198 177.584 -0.145 0.000 1.158 126 A CA 1.614 53.622 52.037 -0.050 0.000 0.665 126 A CB -1.055 17.944 19.000 -0.002 0.000 0.795 126 A HN 1.663 nan 8.150 nan 0.000 0.460 127 V N -4.133 115.606 119.914 -0.292 0.000 3.483 127 V HA 0.139 4.237 4.120 -0.036 0.000 0.301 127 V C 0.694 176.811 176.094 0.039 0.000 1.389 127 V CA 0.619 62.827 62.300 -0.153 0.000 1.101 127 V CB -0.157 31.516 31.823 -0.250 0.000 0.971 127 V HN 0.242 nan 8.190 nan 0.000 0.434 128 D N 1.717 122.153 120.400 0.060 0.000 2.311 128 D HA -0.119 4.499 4.640 -0.036 0.000 0.212 128 D C 2.138 178.526 176.300 0.146 0.000 0.972 128 D CA 1.123 55.217 54.000 0.158 0.000 0.887 128 D CB 0.004 40.917 40.800 0.190 0.000 0.915 128 D HN 0.541 nan 8.370 nan 0.000 0.497 129 R N -0.038 120.439 120.500 -0.039 0.000 2.127 129 R HA 0.005 4.323 4.340 -0.036 0.000 0.217 129 R C 2.157 178.127 176.300 -0.550 0.000 1.074 129 R CA 0.735 56.696 56.100 -0.232 0.000 0.991 129 R CB -0.285 29.770 30.300 -0.407 0.000 0.895 129 R HN 0.083 nan 8.270 nan 0.000 0.450 130 T N 1.746 116.013 114.554 -0.479 0.000 2.649 130 T HA -0.152 4.176 4.350 -0.036 0.000 0.268 130 T C -1.033 173.414 174.700 -0.421 0.000 1.036 130 T CA 1.696 63.487 62.100 -0.516 0.000 1.157 130 T CB -1.074 67.488 68.868 -0.511 0.000 0.861 130 T HN 0.206 nan 8.240 nan 0.000 0.445 131 P HA -0.018 nan 4.420 nan 0.000 0.216 131 P C 1.002 178.165 177.300 -0.229 0.000 1.150 131 P CA 0.975 63.881 63.100 -0.323 0.000 0.837 131 P CB -0.226 31.261 31.700 -0.354 0.000 0.786 132 F N -2.023 117.863 119.950 -0.107 0.000 2.325 132 F HA -0.084 4.421 4.527 -0.037 0.000 0.299 132 F C 2.388 178.270 175.800 0.137 0.000 1.090 132 F CA 1.170 59.175 58.000 0.008 0.000 1.392 132 F CB -1.241 37.749 39.000 -0.017 0.000 1.053 132 F HN 0.136 nan 8.300 nan 0.000 0.521 133 H N -2.296 116.875 119.070 0.168 0.000 2.353 133 H HA -0.200 4.335 4.556 -0.035 0.000 0.300 133 H C 2.047 177.526 175.328 0.252 0.000 1.090 133 H CA 1.375 57.503 56.048 0.134 0.000 1.327 133 H CB -0.160 29.410 29.762 -0.321 0.000 1.383 133 H HN 0.218 nan 8.280 nan 0.000 0.508 134 H N 1.287 120.465 119.070 0.179 0.000 2.293 134 H HA -0.098 4.436 4.556 -0.036 0.000 0.300 134 H C 2.061 177.477 175.328 0.148 0.000 1.082 134 H CA 1.422 57.545 56.048 0.124 0.000 1.308 134 H CB 0.180 29.942 29.762 -0.001 0.000 1.375 134 H HN -0.022 nan 8.280 nan 0.000 0.495 135 K N -0.245 120.201 120.400 0.077 0.000 2.032 135 K HA -0.208 4.090 4.320 -0.036 0.000 0.209 135 K C 2.255 178.908 176.600 0.088 0.000 1.048 135 K CA 1.469 57.775 56.287 0.031 0.000 0.927 135 K CB -1.119 31.437 32.500 0.094 0.000 0.712 135 K HN 0.469 nan 8.250 nan 0.000 0.441 136 W N 0.638 121.985 121.300 0.077 0.000 2.425 136 W HA -0.132 4.505 4.660 -0.038 0.000 0.277 136 W C 1.668 178.226 176.519 0.065 0.000 1.231 136 W CA 0.715 58.119 57.345 0.098 0.000 1.248 136 W CB 0.076 29.643 29.460 0.179 0.000 1.117 136 W HN -0.017 nan 8.180 nan 0.000 0.568 137 L N 0.643 122.031 121.223 0.274 0.000 2.253 137 L HA -0.017 4.301 4.340 -0.036 0.000 0.205 137 L C 2.541 179.383 176.870 -0.048 0.000 1.078 137 L CA 2.069 57.007 54.840 0.163 0.000 0.805 137 L CB -1.238 41.014 42.059 0.322 0.000 0.963 137 L HN 0.208 nan 8.230 nan 0.000 0.459 138 E N -1.147 118.950 120.200 -0.171 0.000 2.130 138 E HA -0.208 4.120 4.350 -0.036 0.000 0.196 138 E C 1.854 178.371 176.600 -0.138 0.000 0.998 138 E CA 1.478 57.756 56.400 -0.204 0.000 0.806 138 E CB -0.728 28.755 29.700 -0.362 0.000 0.738 138 E HN 0.403 nan 8.360 nan 0.000 0.459 139 G N 0.187 108.888 108.800 -0.166 0.000 2.777 139 G HA2 -0.038 3.900 3.960 -0.036 0.000 0.211 139 G HA3 -0.038 3.900 3.960 -0.036 0.000 0.211 139 G C 1.504 176.303 174.900 -0.168 0.000 1.149 139 G CA 0.026 45.033 45.100 -0.154 0.000 0.785 139 G HN 0.119 nan 8.290 nan 0.000 0.536 140 R N -1.032 119.346 120.500 -0.203 0.000 2.279 140 R HA 0.300 4.618 4.340 -0.036 0.000 0.195 140 R C 1.606 177.856 176.300 -0.083 0.000 0.905 140 R CA -0.176 55.809 56.100 -0.192 0.000 1.044 140 R CB 0.078 30.164 30.300 -0.357 0.000 1.056 140 R HN 0.284 nan 8.270 nan 0.000 0.535 141 I N 1.328 121.875 120.570 -0.039 0.000 3.578 141 I HA 0.032 4.181 4.170 -0.036 0.000 0.295 141 I C 0.141 176.260 176.117 0.003 0.000 1.280 141 I CA 0.167 61.476 61.300 0.016 0.000 1.347 141 I CB -0.012 38.027 38.000 0.065 0.000 1.051 141 I HN -0.241 nan 8.210 nan 0.000 0.460 142 K N 0.852 121.239 120.400 -0.023 0.000 2.472 142 K HA 0.357 4.655 4.320 -0.036 0.000 0.280 142 K C 1.205 177.794 176.600 -0.019 0.000 1.028 142 K CA 1.106 57.380 56.287 -0.023 0.000 1.045 142 K CB -0.155 32.322 32.500 -0.037 0.000 0.902 142 K HN 0.355 nan 8.250 nan 0.000 0.478 143 G N 3.690 112.481 108.800 -0.016 0.000 2.217 143 G HA2 -0.281 3.658 3.960 -0.036 0.000 0.246 143 G HA3 -0.281 3.658 3.960 -0.036 0.000 0.246 143 G C 0.338 175.235 174.900 -0.006 0.000 0.990 143 G CA 0.484 45.576 45.100 -0.015 0.000 0.627 143 G HN 0.595 nan 8.290 nan 0.000 0.522 144 K N 0.488 120.891 120.400 0.005 0.000 2.592 144 K HA 0.166 4.464 4.320 -0.036 0.000 0.203 144 K C 1.559 178.175 176.600 0.027 0.000 1.070 144 K CA 0.281 56.580 56.287 0.021 0.000 1.062 144 K CB 0.537 33.062 32.500 0.041 0.000 0.814 144 K HN 0.449 nan 8.250 nan 0.000 0.502 145 E N 0.561 120.765 120.200 0.006 0.000 2.150 145 E HA -0.163 4.165 4.350 -0.036 0.000 0.193 145 E C 0.901 177.487 176.600 -0.023 0.000 0.985 145 E CA 1.067 57.468 56.400 0.001 0.000 0.814 145 E CB -0.178 29.509 29.700 -0.021 0.000 0.752 145 E HN 0.165 nan 8.360 nan 0.000 0.466 146 N N 1.071 119.746 118.700 -0.041 0.000 2.331 146 N HA -0.085 4.633 4.740 -0.036 0.000 0.180 146 N C 1.568 177.055 175.510 -0.038 0.000 1.019 146 N CA 0.707 53.718 53.050 -0.065 0.000 0.881 146 N CB -0.033 38.408 38.487 -0.076 0.000 0.972 146 N HN 0.217 nan 8.380 nan 0.000 0.435 147 E N 0.589 120.796 120.200 0.011 0.000 2.106 147 E HA -0.034 4.295 4.350 -0.036 0.000 0.192 147 E C 2.070 178.728 176.600 0.096 0.000 0.984 147 E CA 0.381 56.821 56.400 0.068 0.000 0.806 147 E CB -0.227 29.535 29.700 0.103 0.000 0.750 147 E HN 0.111 nan 8.360 nan 0.000 0.458 148 V N 1.380 121.342 119.914 0.081 0.000 2.358 148 V HA -0.238 3.860 4.120 -0.036 0.000 0.246 148 V C 2.388 178.520 176.094 0.062 0.000 1.047 148 V CA 1.701 64.064 62.300 0.104 0.000 1.035 148 V CB -0.420 31.467 31.823 0.107 0.000 0.658 148 V HN 0.180 nan 8.190 nan 0.000 0.452 149 R N -0.431 120.068 120.500 -0.001 0.000 2.096 149 R HA -0.100 4.218 4.340 -0.036 0.000 0.235 149 R C 2.302 178.562 176.300 -0.066 0.000 1.127 149 R CA 1.328 57.399 56.100 -0.049 0.000 0.968 149 R CB -0.422 29.817 30.300 -0.103 0.000 0.861 149 R HN 0.414 nan 8.270 nan 0.000 0.440 150 L N 0.284 121.438 121.223 -0.115 0.000 2.017 150 L HA -0.219 4.099 4.340 -0.036 0.000 0.208 150 L C 2.387 179.122 176.870 -0.225 0.000 1.073 150 L CA 0.873 55.547 54.840 -0.277 0.000 0.745 150 L CB -0.437 41.267 42.059 -0.591 0.000 0.894 150 L HN 0.204 nan 8.230 nan 0.000 0.432 151 L N 0.057 121.301 121.223 0.035 0.000 2.017 151 L HA -0.228 4.091 4.340 -0.036 0.000 0.208 151 L C 2.504 179.461 176.870 0.145 0.000 1.073 151 L CA 1.849 56.865 54.840 0.293 0.000 0.745 151 L CB -0.541 41.715 42.059 0.328 0.000 0.894 151 L HN 0.103 nan 8.230 nan 0.000 0.432 152 K N -0.822 119.591 120.400 0.022 0.000 2.026 152 K HA -0.106 4.192 4.320 -0.036 0.000 0.208 152 K C 2.012 178.481 176.600 -0.219 0.000 1.048 152 K CA 1.269 57.434 56.287 -0.203 0.000 0.929 152 K CB -0.788 31.543 32.500 -0.282 0.000 0.713 152 K HN 0.542 nan 8.250 nan 0.000 0.439 153 G N 0.990 109.747 108.800 -0.072 0.000 2.442 153 G HA2 -0.276 3.663 3.960 -0.036 0.000 0.219 153 G HA3 -0.276 3.663 3.960 -0.036 0.000 0.219 153 G C 1.341 176.251 174.900 0.017 0.000 1.141 153 G CA 0.491 45.596 45.100 0.010 0.000 0.763 153 G HN 0.202 nan 8.290 nan 0.000 0.554 154 F N 1.166 120.982 119.950 -0.223 0.000 2.075 154 F HA 0.027 4.533 4.527 -0.035 0.000 0.297 154 F C 2.499 178.199 175.800 -0.166 0.000 1.113 154 F CA 1.256 59.007 58.000 -0.415 0.000 1.218 154 F CB -0.288 38.502 39.000 -0.351 0.000 0.984 154 F HN 0.048 nan 8.300 nan 0.000 0.472 155 L N -0.138 121.098 121.223 0.021 0.000 2.093 155 L HA -0.184 4.134 4.340 -0.036 0.000 0.208 155 L C 2.399 179.276 176.870 0.012 0.000 1.085 155 L CA 1.469 56.304 54.840 -0.008 0.000 0.755 155 L CB -0.695 41.417 42.059 0.090 0.000 0.904 155 L HN 0.065 nan 8.230 nan 0.000 0.435 156 K N 0.872 121.255 120.400 -0.028 0.000 2.025 156 K HA -0.109 4.189 4.320 -0.036 0.000 0.207 156 K C 2.061 178.653 176.600 -0.014 0.000 1.049 156 K CA 1.597 57.889 56.287 0.008 0.000 0.933 156 K CB -0.404 32.038 32.500 -0.096 0.000 0.714 156 K HN 0.179 nan 8.250 nan 0.000 0.438 157 A N 0.708 123.488 122.820 -0.068 0.000 2.024 157 A HA -0.111 4.187 4.320 -0.036 0.000 0.220 157 A C 1.284 178.797 177.584 -0.117 0.000 1.164 157 A CA 1.688 53.679 52.037 -0.077 0.000 0.643 157 A CB -0.423 18.523 19.000 -0.089 0.000 0.806 157 A HN 0.451 nan 8.150 nan 0.000 0.451 158 N N -0.729 117.871 118.700 -0.166 0.000 2.279 158 N HA 0.204 4.922 4.740 -0.036 0.000 0.226 158 N C 0.903 176.378 175.510 -0.059 0.000 1.126 158 N CA 0.713 53.668 53.050 -0.158 0.000 0.846 158 N CB 0.507 38.832 38.487 -0.270 0.000 1.050 158 N HN 0.549 nan 8.380 nan 0.000 0.502 159 G N 1.971 110.764 108.800 -0.012 0.000 2.187 159 G HA2 -0.269 3.669 3.960 -0.036 0.000 0.261 159 G HA3 -0.269 3.669 3.960 -0.036 0.000 0.261 159 G C 0.579 175.523 174.900 0.072 0.000 1.000 159 G CA 0.729 45.848 45.100 0.030 0.000 0.718 159 G HN 0.587 nan 8.290 nan 0.000 0.519 160 I N -4.181 116.459 120.570 0.117 0.000 3.833 160 I HA 0.472 4.620 4.170 -0.036 0.000 0.328 160 I C 1.438 177.728 176.117 0.289 0.000 1.554 160 I CA -0.989 60.425 61.300 0.190 0.000 1.116 160 I CB -0.227 37.920 38.000 0.246 0.000 1.182 160 I HN 0.007 nan 8.210 nan 0.000 0.459 161 Y N 3.189 123.550 120.300 0.101 0.000 2.392 161 Y HA 0.363 4.891 4.550 -0.037 0.000 0.249 161 Y C 1.937 177.914 175.900 0.128 0.000 1.032 161 Y CA 0.933 59.104 58.100 0.118 0.000 1.040 161 Y CB -0.941 37.569 38.460 0.082 0.000 1.029 161 Y HN 0.195 nan 8.280 nan 0.000 0.470 162 G N -0.154 108.430 108.800 -0.360 0.000 2.614 162 G HA2 0.166 4.104 3.960 -0.036 0.000 0.229 162 G HA3 0.166 4.104 3.960 -0.036 0.000 0.229 162 G C 0.526 175.289 174.900 -0.230 0.000 1.232 162 G CA 0.194 45.051 45.100 -0.406 0.000 0.857 162 G HN 0.896 nan 8.290 nan 0.000 0.560 163 A N 0.868 123.549 122.820 -0.231 0.000 2.308 163 A HA 0.255 4.553 4.320 -0.036 0.000 0.217 163 A C 1.294 178.745 177.584 -0.221 0.000 1.216 163 A CA 0.470 52.388 52.037 -0.198 0.000 0.864 163 A CB -0.154 18.738 19.000 -0.180 0.000 0.902 163 A HN 0.788 nan 8.150 nan 0.000 0.499 164 E N -0.411 119.680 120.200 -0.181 0.000 2.408 164 E HA -0.017 4.311 4.350 -0.036 0.000 0.259 164 E C -0.071 176.433 176.600 -0.160 0.000 1.110 164 E CA -0.288 56.006 56.400 -0.176 0.000 0.929 164 E CB 0.168 29.816 29.700 -0.087 0.000 0.971 164 E HN 0.471 nan 8.360 nan 0.000 0.438 165 Y N 0.544 120.826 120.300 -0.031 0.000 2.365 165 Y HA -0.217 4.311 4.550 -0.036 0.000 0.287 165 Y C 2.630 178.498 175.900 -0.054 0.000 1.162 165 Y CA 1.709 59.805 58.100 -0.007 0.000 1.260 165 Y CB -0.086 38.406 38.460 0.053 0.000 0.976 165 Y HN 0.543 nan 8.280 nan 0.000 0.548 166 K N -0.297 120.054 120.400 -0.082 0.000 2.211 166 K HA -0.105 4.193 4.320 -0.036 0.000 0.203 166 K C 1.429 177.964 176.600 -0.108 0.000 1.050 166 K CA 1.306 57.379 56.287 -0.357 0.000 0.945 166 K CB 0.101 32.225 32.500 -0.627 0.000 0.732 166 K HN 0.168 nan 8.250 nan 0.000 0.451 167 V N -0.202 119.678 119.914 -0.057 0.000 3.048 167 V HA 0.102 4.200 4.120 -0.036 0.000 0.241 167 V C 0.344 176.438 176.094 0.000 0.000 1.129 167 V CA -0.022 62.267 62.300 -0.018 0.000 1.128 167 V CB -0.241 31.567 31.823 -0.026 0.000 0.849 167 V HN 0.306 nan 8.190 nan 0.000 0.475 168 R N 0.637 121.121 120.500 -0.028 0.000 3.264 168 R HA -0.171 4.147 4.340 -0.036 0.000 0.251 168 R C 0.516 176.769 176.300 -0.077 0.000 0.971 168 R CA 0.384 56.456 56.100 -0.046 0.000 0.658 168 R CB -1.559 28.762 30.300 0.036 0.000 1.095 168 R HN 0.652 nan 8.270 nan 0.000 0.443 169 G N -0.343 108.403 108.800 -0.091 0.000 3.211 169 G HA2 0.625 4.563 3.960 -0.036 0.000 0.167 169 G HA3 0.625 4.563 3.960 -0.036 0.000 0.167 169 G C -0.839 173.957 174.900 -0.173 0.000 1.212 169 G CA -0.797 44.267 45.100 -0.059 0.000 0.928 169 G HN 0.075 nan 8.290 nan 0.000 0.607 170 F N 1.744 121.642 119.950 -0.087 0.000 2.411 170 F HA 0.447 4.953 4.527 -0.036 0.000 0.355 170 F C 1.289 176.991 175.800 -0.164 0.000 1.117 170 F CA -0.858 57.095 58.000 -0.078 0.000 1.139 170 F CB 1.382 40.366 39.000 -0.028 0.000 1.120 170 F HN 0.369 nan 8.300 nan 0.000 0.493 171 S N 1.559 117.253 115.700 -0.009 0.000 2.608 171 S HA 0.346 4.794 4.470 -0.036 0.000 0.261 171 S C 1.416 176.051 174.600 0.059 0.000 1.314 171 S CA -0.303 57.845 58.200 -0.087 0.000 0.992 171 S CB 1.141 64.335 63.200 -0.011 0.000 0.935 171 S HN 0.799 nan 8.310 nan 0.000 0.564 172 G N 0.023 108.880 108.800 0.094 0.000 2.418 172 G HA2 -0.194 3.744 3.960 -0.036 0.000 0.217 172 G HA3 -0.194 3.744 3.960 -0.036 0.000 0.217 172 G C 1.167 176.247 174.900 0.300 0.000 1.158 172 G CA 0.880 46.179 45.100 0.332 0.000 0.771 172 G HN 0.810 nan 8.290 nan 0.000 0.545 173 Y N 0.998 121.357 120.300 0.098 0.000 2.128 173 Y HA -0.139 4.391 4.550 -0.034 0.000 0.284 173 Y C 2.494 178.421 175.900 0.045 0.000 1.154 173 Y CA 1.462 59.588 58.100 0.044 0.000 1.149 173 Y CB -0.621 37.804 38.460 -0.058 0.000 0.976 173 Y HN 0.138 nan 8.280 nan 0.000 0.505 174 L N -0.131 121.086 121.223 -0.010 0.000 2.043 174 L HA -0.255 4.063 4.340 -0.036 0.000 0.212 174 L C 2.478 179.378 176.870 0.050 0.000 1.075 174 L CA 1.992 56.791 54.840 -0.068 0.000 0.752 174 L CB -1.418 40.683 42.059 0.070 0.000 0.891 174 L HN 0.443 nan 8.230 nan 0.000 0.432 175 C N -0.131 119.270 119.300 0.169 0.000 2.413 175 C HA -0.181 4.257 4.460 -0.036 0.000 0.276 175 C C 2.568 177.657 174.990 0.165 0.000 1.236 175 C CA 1.198 60.339 59.018 0.204 0.000 1.735 175 C CB -1.031 26.866 27.740 0.261 0.000 2.031 175 C HN 0.607 nan 8.230 nan 0.000 0.474 176 E N 0.451 120.730 120.200 0.133 0.000 2.110 176 E HA -0.158 4.170 4.350 -0.036 0.000 0.193 176 E C 2.089 178.746 176.600 0.095 0.000 0.988 176 E CA 0.949 57.429 56.400 0.133 0.000 0.804 176 E CB -0.223 29.583 29.700 0.175 0.000 0.745 176 E HN 0.632 nan 8.360 nan 0.000 0.458 177 L N 0.652 121.840 121.223 -0.058 0.000 2.046 177 L HA -0.185 4.133 4.340 -0.036 0.000 0.208 177 L C 2.470 179.398 176.870 0.098 0.000 1.077 177 L CA 0.899 55.699 54.840 -0.066 0.000 0.747 177 L CB -0.389 41.457 42.059 -0.356 0.000 0.896 177 L HN 0.195 nan 8.230 nan 0.000 0.432 178 L N -0.648 120.666 121.223 0.151 0.000 2.083 178 L HA -0.234 4.084 4.340 -0.036 0.000 0.209 178 L C 2.554 179.659 176.870 0.392 0.000 1.083 178 L CA 0.864 55.905 54.840 0.336 0.000 0.752 178 L CB -0.399 41.914 42.059 0.423 0.000 0.899 178 L HN 0.235 nan 8.230 nan 0.000 0.433 179 I N -0.531 120.208 120.570 0.283 0.000 2.226 179 I HA -0.208 3.940 4.170 -0.036 0.000 0.245 179 I C 2.539 178.786 176.117 0.217 0.000 1.100 179 I CA 1.294 62.743 61.300 0.249 0.000 1.374 179 I CB -0.876 37.239 38.000 0.191 0.000 1.057 179 I HN 0.063 nan 8.210 nan 0.000 0.413 180 V N 0.302 120.342 119.914 0.210 0.000 2.515 180 V HA -0.273 3.825 4.120 -0.036 0.000 0.250 180 V C 2.325 178.526 176.094 0.178 0.000 1.058 180 V CA 1.560 63.969 62.300 0.182 0.000 1.064 180 V CB -0.766 31.206 31.823 0.249 0.000 0.675 180 V HN 0.248 nan 8.190 nan 0.000 0.461 181 F N -0.349 119.616 119.950 0.026 0.000 2.163 181 F HA -0.091 4.412 4.527 -0.039 0.000 0.297 181 F C 2.017 177.686 175.800 -0.219 0.000 1.094 181 F CA 1.546 59.465 58.000 -0.134 0.000 1.290 181 F CB -0.047 38.790 39.000 -0.272 0.000 1.017 181 F HN 0.168 nan 8.300 nan 0.000 0.483 182 Y N -0.536 119.900 120.300 0.228 0.000 2.478 182 Y HA 0.319 4.851 4.550 -0.031 0.000 0.261 182 Y C 2.021 177.945 175.900 0.041 0.000 1.127 182 Y CA 0.339 58.503 58.100 0.106 0.000 1.288 182 Y CB 0.160 38.734 38.460 0.189 0.000 1.084 182 Y HN 0.191 nan 8.280 nan 0.000 0.530 183 G N 0.131 109.036 108.800 0.175 0.000 2.299 183 G HA2 -0.272 3.667 3.960 -0.036 0.000 0.237 183 G HA3 -0.272 3.667 3.960 -0.036 0.000 0.237 183 G C 0.358 175.327 174.900 0.115 0.000 1.027 183 G CA 0.401 45.565 45.100 0.107 0.000 0.619 183 G HN 0.701 nan 8.290 nan 0.000 0.513 184 S N -1.759 114.030 115.700 0.148 0.000 2.636 184 S HA 0.615 5.063 4.470 -0.036 0.000 0.266 184 S C 0.305 174.988 174.600 0.138 0.000 1.147 184 S CA 0.296 58.576 58.200 0.133 0.000 0.815 184 S CB 0.824 64.081 63.200 0.094 0.000 1.119 184 S HN 1.242 nan 8.310 nan 0.000 0.470 185 F N 0.893 120.846 119.950 0.005 0.000 2.134 185 F HA 0.053 4.562 4.527 -0.031 0.000 0.299 185 F C 1.803 177.534 175.800 -0.116 0.000 1.097 185 F CA 1.692 59.661 58.000 -0.052 0.000 1.264 185 F CB -0.213 38.745 39.000 -0.070 0.000 1.001 185 F HN 0.544 nan 8.300 nan 0.000 0.479 186 L N 0.875 122.030 121.223 -0.113 0.000 2.046 186 L HA -0.162 4.156 4.340 -0.036 0.000 0.208 186 L C 2.306 179.007 176.870 -0.282 0.000 1.077 186 L CA 1.814 56.521 54.840 -0.221 0.000 0.747 186 L CB -1.051 41.003 42.059 -0.008 0.000 0.896 186 L HN 0.090 nan 8.230 nan 0.000 0.432 187 E N -0.630 119.474 120.200 -0.160 0.000 2.051 187 E HA -0.179 4.149 4.350 -0.036 0.000 0.192 187 E C 2.102 178.487 176.600 -0.357 0.000 0.991 187 E CA 1.832 58.145 56.400 -0.145 0.000 0.799 187 E CB -0.655 29.064 29.700 0.031 0.000 0.748 187 E HN 0.519 nan 8.360 nan 0.000 0.449 188 T N 1.393 115.729 114.554 -0.364 0.000 2.635 188 T HA -0.139 4.190 4.350 -0.036 0.000 0.267 188 T C 2.152 176.435 174.700 -0.695 0.000 1.040 188 T CA 1.599 63.357 62.100 -0.570 0.000 1.156 188 T CB -0.426 68.337 68.868 -0.175 0.000 0.863 188 T HN -0.027 nan 8.240 nan 0.000 0.430 189 V N 1.370 120.839 119.914 -0.742 0.000 2.343 189 V HA -0.196 3.902 4.120 -0.036 0.000 0.247 189 V C 2.518 178.248 176.094 -0.607 0.000 1.051 189 V CA 1.621 63.444 62.300 -0.794 0.000 1.036 189 V CB -0.497 30.727 31.823 -0.998 0.000 0.654 189 V HN 0.471 nan 8.190 nan 0.000 0.451 190 K N 0.018 120.134 120.400 -0.473 0.000 2.032 190 K HA -0.179 4.119 4.320 -0.036 0.000 0.209 190 K C 2.024 178.419 176.600 -0.341 0.000 1.048 190 K CA 1.738 57.825 56.287 -0.333 0.000 0.927 190 K CB -0.299 32.065 32.500 -0.228 0.000 0.712 190 K HN 0.502 nan 8.250 nan 0.000 0.441 191 N N 0.478 118.920 118.700 -0.430 0.000 2.270 191 N HA -0.080 4.638 4.740 -0.036 0.000 0.181 191 N C 1.770 176.965 175.510 -0.525 0.000 1.016 191 N CA 0.865 53.707 53.050 -0.346 0.000 0.870 191 N CB -0.013 38.274 38.487 -0.333 0.000 0.979 191 N HN 0.149 nan 8.380 nan 0.000 0.431 192 A N 1.905 124.151 122.820 -0.958 0.000 2.024 192 A HA -0.127 4.171 4.320 -0.036 0.000 0.220 192 A C 2.106 179.233 177.584 -0.761 0.000 1.164 192 A CA 0.985 52.084 52.037 -1.564 0.000 0.643 192 A CB -0.449 17.676 19.000 -1.459 0.000 0.806 192 A HN 0.246 nan 8.150 nan 0.000 0.451 193 R N -0.881 119.325 120.500 -0.489 0.000 2.249 193 R HA -0.065 4.253 4.340 -0.036 0.000 0.230 193 R C 1.324 177.562 176.300 -0.103 0.000 1.121 193 R CA 1.249 57.191 56.100 -0.263 0.000 0.997 193 R CB -0.143 30.025 30.300 -0.220 0.000 0.867 193 R HN 0.482 nan 8.270 nan 0.000 0.465 194 R N -1.190 119.277 120.500 -0.056 0.000 2.472 194 R HA 0.067 4.385 4.340 -0.036 0.000 0.279 194 R C -0.464 176.007 176.300 0.284 0.000 0.953 194 R CA -0.487 55.673 56.100 0.100 0.000 1.088 194 R CB 0.395 30.756 30.300 0.102 0.000 1.197 194 R HN 0.003 nan 8.270 nan 0.000 0.536 195 W N 2.232 123.611 121.300 0.130 0.000 2.137 195 W HA 0.091 4.735 4.660 -0.026 0.000 0.344 195 W C 1.176 177.788 176.519 0.155 0.000 1.286 195 W CA -0.253 57.212 57.345 0.199 0.000 1.240 195 W CB 0.384 30.004 29.460 0.268 0.000 1.141 195 W HN -0.046 nan 8.180 nan 0.000 0.579 196 T N -1.308 113.479 114.554 0.389 0.000 2.864 196 T HA 0.442 4.770 4.350 -0.036 0.000 0.289 196 T C 0.887 175.732 174.700 0.241 0.000 1.082 196 T CA -0.983 61.266 62.100 0.249 0.000 1.009 196 T CB 1.719 70.697 68.868 0.184 0.000 1.234 196 T HN 0.521 nan 8.240 nan 0.000 0.526 197 R N -0.088 120.514 120.500 0.169 0.000 2.339 197 R HA 0.113 4.431 4.340 -0.036 0.000 0.199 197 R C 0.857 177.265 176.300 0.180 0.000 1.018 197 R CA 0.200 56.395 56.100 0.158 0.000 1.036 197 R CB -0.112 30.249 30.300 0.101 0.000 0.899 197 R HN 0.287 nan 8.270 nan 0.000 0.473 198 R N 0.655 121.252 120.500 0.162 0.000 2.437 198 R HA 0.165 4.484 4.340 -0.036 0.000 0.257 198 R C -0.221 176.132 176.300 0.089 0.000 0.927 198 R CA 0.061 56.229 56.100 0.113 0.000 1.078 198 R CB 0.680 31.028 30.300 0.080 0.000 1.161 198 R HN 0.061 nan 8.270 nan 0.000 0.529 199 T N 1.485 116.125 114.554 0.143 0.000 2.888 199 T HA 0.178 4.506 4.350 -0.036 0.000 0.301 199 T C 0.125 174.701 174.700 -0.207 0.000 1.001 199 T CA 0.313 62.431 62.100 0.029 0.000 1.147 199 T CB 1.466 70.389 68.868 0.092 0.000 0.931 199 T HN -0.231 nan 8.240 nan 0.000 0.541 200 V N 5.558 125.346 119.914 -0.209 0.000 2.444 200 V HA 0.447 4.546 4.120 -0.036 0.000 0.294 200 V C -0.101 175.805 176.094 -0.314 0.000 1.022 200 V CA -0.725 61.408 62.300 -0.278 0.000 0.850 200 V CB 1.402 33.104 31.823 -0.202 0.000 0.992 200 V HN 0.768 nan 8.190 nan 0.000 0.426 201 I N 4.122 124.419 120.570 -0.455 0.000 2.355 201 I HA 0.412 4.560 4.170 -0.036 0.000 0.288 201 I C -0.692 175.149 176.117 -0.460 0.000 0.999 201 I CA -0.223 60.736 61.300 -0.567 0.000 1.163 201 I CB 1.701 39.220 38.000 -0.802 0.000 1.316 201 I HN 0.490 nan 8.210 nan 0.000 0.454 202 D N 6.468 126.670 120.400 -0.331 0.000 2.462 202 D HA 0.211 4.829 4.640 -0.036 0.000 0.249 202 D C 0.873 177.143 176.300 -0.050 0.000 1.117 202 D CA -0.393 53.501 54.000 -0.175 0.000 0.900 202 D CB 1.589 42.329 40.800 -0.100 0.000 1.039 202 D HN 0.251 nan 8.370 nan 0.000 0.516 203 V N 3.123 122.983 119.914 -0.091 0.000 2.392 203 V HA -0.215 3.883 4.120 -0.036 0.000 0.249 203 V C 2.536 178.770 176.094 0.234 0.000 1.059 203 V CA 1.989 64.402 62.300 0.188 0.000 1.051 203 V CB -0.816 31.072 31.823 0.108 0.000 0.658 203 V HN 0.585 nan 8.190 nan 0.000 0.455 204 A N -0.290 122.592 122.820 0.103 0.000 1.969 204 A HA -0.158 4.140 4.320 -0.036 0.000 0.218 204 A C 2.213 179.881 177.584 0.141 0.000 1.169 204 A CA 1.581 53.719 52.037 0.170 0.000 0.635 204 A CB -0.314 18.725 19.000 0.066 0.000 0.810 204 A HN 0.568 nan 8.150 nan 0.000 0.445 205 K N -1.296 119.164 120.400 0.100 0.000 2.374 205 K HA 0.234 4.532 4.320 -0.036 0.000 0.196 205 K C 0.860 177.524 176.600 0.106 0.000 1.023 205 K CA 0.374 56.709 56.287 0.079 0.000 1.103 205 K CB 0.115 32.637 32.500 0.038 0.000 0.848 205 K HN 0.540 nan 8.250 nan 0.000 0.528 206 G N 2.975 111.883 108.800 0.180 0.000 2.341 206 G HA2 -0.311 3.627 3.960 -0.036 0.000 0.292 206 G HA3 -0.311 3.627 3.960 -0.036 0.000 0.292 206 G C -0.302 174.701 174.900 0.173 0.000 1.021 206 G CA 0.850 46.043 45.100 0.156 0.000 0.905 206 G HN 0.475 nan 8.290 nan 0.000 0.508 207 E N -1.135 119.242 120.200 0.295 0.000 2.343 207 E HA 0.654 4.982 4.350 -0.036 0.000 0.270 207 E C -1.022 175.713 176.600 0.224 0.000 0.895 207 E CA -0.983 55.542 56.400 0.209 0.000 0.767 207 E CB 2.333 32.085 29.700 0.086 0.000 1.248 207 E HN 0.156 nan 8.360 nan 0.000 0.440 208 V N 4.260 124.288 119.914 0.190 0.000 2.444 208 V HA 0.497 4.595 4.120 -0.036 0.000 0.294 208 V C -0.296 175.832 176.094 0.057 0.000 1.022 208 V CA -0.535 61.832 62.300 0.113 0.000 0.850 208 V CB 1.356 33.318 31.823 0.232 0.000 0.992 208 V HN 0.700 nan 8.190 nan 0.000 0.426 209 R N 3.462 123.957 120.500 -0.009 0.000 2.950 209 R HA 0.718 5.036 4.340 -0.036 0.000 0.253 209 R C -0.887 175.401 176.300 -0.020 0.000 1.168 209 R CA -1.105 54.988 56.100 -0.011 0.000 1.014 209 R CB 1.690 31.968 30.300 -0.038 0.000 1.228 209 R HN 0.306 nan 8.270 nan 0.000 0.487 210 K N 0.181 120.575 120.400 -0.010 0.000 2.156 210 K HA 0.463 4.762 4.320 -0.036 0.000 0.271 210 K C -0.699 175.885 176.600 -0.028 0.000 0.995 210 K CA -0.193 56.094 56.287 0.000 0.000 0.890 210 K CB 1.669 34.181 32.500 0.019 0.000 1.073 210 K HN 0.838 nan 8.250 nan 0.000 0.454 211 G N 1.912 110.698 108.800 -0.022 0.000 3.183 211 G HA2 0.127 4.065 3.960 -0.036 0.000 0.247 211 G HA3 0.127 4.065 3.960 -0.036 0.000 0.247 211 G C 0.124 175.022 174.900 -0.003 0.000 1.211 211 G CA -0.222 44.853 45.100 -0.041 0.000 0.835 211 G HN 0.584 nan 8.290 nan 0.000 0.604 212 E N -0.526 119.674 120.200 -0.000 0.000 2.051 212 E HA 0.177 4.506 4.350 -0.036 0.000 0.189 212 E C 0.647 177.284 176.600 0.061 0.000 0.979 212 E CA 1.443 57.861 56.400 0.029 0.000 0.803 212 E CB 0.190 29.909 29.700 0.031 0.000 0.761 212 E HN 0.590 nan 8.360 nan 0.000 0.451 213 E N -2.093 118.161 120.200 0.089 0.000 2.435 213 E HA 0.218 4.546 4.350 -0.036 0.000 0.272 213 E C -1.118 175.570 176.600 0.147 0.000 1.031 213 E CA -0.943 55.530 56.400 0.121 0.000 0.872 213 E CB 0.149 29.918 29.700 0.115 0.000 1.588 213 E HN -0.067 nan 8.360 nan 0.000 0.460 214 F N 1.561 121.510 119.950 -0.002 0.000 2.557 214 F HA 0.354 4.858 4.527 -0.038 0.000 0.384 214 F C -1.011 174.762 175.800 -0.044 0.000 1.057 214 F CA 0.041 58.004 58.000 -0.061 0.000 1.169 214 F CB 0.031 38.963 39.000 -0.114 0.000 1.070 214 F HN 0.387 nan 8.300 nan 0.000 0.554 215 F N 6.100 125.618 119.950 -0.720 0.000 2.562 215 F HA 0.516 5.021 4.527 -0.038 0.000 0.319 215 F C -1.495 173.890 175.800 -0.691 0.000 1.154 215 F CA -0.904 56.764 58.000 -0.552 0.000 0.931 215 F CB 1.333 40.145 39.000 -0.313 0.000 1.198 215 F HN 0.034 nan 8.300 nan 0.000 0.444 216 V N 7.319 126.978 119.914 -0.425 0.000 2.275 216 V HA 0.186 4.285 4.120 -0.036 0.000 0.272 216 V C -0.257 175.746 176.094 -0.152 0.000 1.028 216 V CA -0.807 61.270 62.300 -0.373 0.000 0.810 216 V CB 1.178 32.729 31.823 -0.454 0.000 1.043 216 V HN 0.559 nan 8.190 nan 0.000 0.453 217 V N 4.517 124.454 119.914 0.039 0.000 2.529 217 V HA 0.199 4.297 4.120 -0.036 0.000 0.292 217 V C 0.481 176.514 176.094 -0.102 0.000 1.028 217 V CA -0.016 62.341 62.300 0.095 0.000 1.074 217 V CB 1.263 33.109 31.823 0.039 0.000 0.958 217 V HN 0.869 nan 8.190 nan 0.000 0.481 218 D N 7.884 128.237 120.400 -0.078 0.000 2.450 218 D HA 0.173 4.791 4.640 -0.036 0.000 0.247 218 D C -1.636 174.534 176.300 -0.216 0.000 1.162 218 D CA -1.620 52.302 54.000 -0.130 0.000 0.879 218 D CB 1.914 42.717 40.800 0.006 0.000 1.163 218 D HN 0.448 nan 8.370 nan 0.000 0.472 219 P HA -0.119 nan 4.420 nan 0.000 0.219 219 P C 1.381 178.440 177.300 -0.402 0.000 1.146 219 P CA 0.383 63.102 63.100 -0.635 0.000 0.808 219 P CB 0.416 31.064 31.700 -1.754 0.000 0.779 220 V N -1.084 118.673 119.914 -0.262 0.000 2.951 220 V HA -0.015 4.083 4.120 -0.036 0.000 0.255 220 V C 0.514 176.557 176.094 -0.086 0.000 1.088 220 V CA 1.279 63.526 62.300 -0.088 0.000 1.109 220 V CB -0.470 31.416 31.823 0.104 0.000 0.724 220 V HN 0.109 nan 8.190 nan 0.000 0.471 221 D N -1.047 119.316 120.400 -0.062 0.000 2.318 221 D HA 0.135 4.753 4.640 -0.036 0.000 0.233 221 D C 0.844 177.131 176.300 -0.022 0.000 1.348 221 D CA -0.234 53.737 54.000 -0.048 0.000 0.983 221 D CB 0.953 41.732 40.800 -0.035 0.000 1.416 221 D HN -0.094 nan 8.370 nan 0.000 0.558 222 E N 1.656 121.837 120.200 -0.032 0.000 2.331 222 E HA -0.140 4.188 4.350 -0.036 0.000 0.199 222 E C 1.073 177.690 176.600 0.028 0.000 1.008 222 E CA 0.790 57.177 56.400 -0.022 0.000 0.843 222 E CB 0.256 29.925 29.700 -0.051 0.000 0.761 222 E HN 0.439 nan 8.360 nan 0.000 0.507 223 K N 0.267 120.692 120.400 0.042 0.000 2.426 223 K HA 0.046 4.344 4.320 -0.036 0.000 0.193 223 K C 0.980 177.690 176.600 0.182 0.000 1.028 223 K CA -0.053 56.292 56.287 0.096 0.000 1.047 223 K CB 0.398 32.922 32.500 0.041 0.000 0.821 223 K HN -0.107 nan 8.250 nan 0.000 0.513 224 R N 2.794 123.363 120.500 0.116 0.000 2.202 224 R HA 0.086 4.404 4.340 -0.036 0.000 0.334 224 R C -0.610 175.649 176.300 -0.069 0.000 1.036 224 R CA -0.198 55.921 56.100 0.032 0.000 0.878 224 R CB 0.197 30.507 30.300 0.016 0.000 1.067 224 R HN -0.034 nan 8.270 nan 0.000 0.457 225 N N 4.075 122.533 118.700 -0.404 0.000 2.415 225 N HA 0.009 4.727 4.740 -0.036 0.000 0.246 225 N C 0.849 176.077 175.510 -0.470 0.000 1.078 225 N CA -0.106 52.373 53.050 -0.952 0.000 0.942 225 N CB 1.082 38.590 38.487 -1.630 0.000 1.140 225 N HN 0.293 nan 8.380 nan 0.000 0.501 226 V N 2.917 122.635 119.914 -0.328 0.000 2.594 226 V HA -0.149 3.949 4.120 -0.036 0.000 0.253 226 V C 1.696 177.665 176.094 -0.209 0.000 1.069 226 V CA 2.070 64.257 62.300 -0.188 0.000 1.082 226 V CB -0.844 30.877 31.823 -0.170 0.000 0.680 226 V HN 0.783 nan 8.190 nan 0.000 0.469 227 A N -0.626 122.019 122.820 -0.291 0.000 2.577 227 A HA 0.632 4.930 4.320 -0.036 0.000 0.280 227 A C 2.013 179.461 177.584 -0.226 0.000 1.331 227 A CA 0.625 52.526 52.037 -0.226 0.000 0.935 227 A CB -0.280 18.654 19.000 -0.110 0.000 1.082 227 A HN 0.421 nan 8.150 nan 0.000 0.525 228 A N 0.806 123.464 122.820 -0.271 0.000 1.917 228 A HA -0.217 4.082 4.320 -0.036 0.000 0.219 228 A C 1.719 179.215 177.584 -0.147 0.000 1.182 228 A CA 2.005 53.906 52.037 -0.227 0.000 0.633 228 A CB -0.388 18.485 19.000 -0.213 0.000 0.819 228 A HN 0.530 nan 8.150 nan 0.000 0.448 229 N N -1.037 117.563 118.700 -0.167 0.000 2.268 229 N HA 0.125 4.844 4.740 -0.036 0.000 0.204 229 N C -0.193 175.223 175.510 -0.156 0.000 1.124 229 N CA -0.243 52.712 53.050 -0.159 0.000 0.838 229 N CB -0.221 38.102 38.487 -0.274 0.000 0.994 229 N HN 0.341 nan 8.380 nan 0.000 0.489 230 L N 1.659 122.770 121.223 -0.187 0.000 2.342 230 L HA 0.334 4.652 4.340 -0.036 0.000 0.285 230 L C 0.333 177.107 176.870 -0.159 0.000 1.095 230 L CA -0.472 54.215 54.840 -0.255 0.000 0.843 230 L CB -0.164 41.632 42.059 -0.440 0.000 1.201 230 L HN 0.145 nan 8.230 nan 0.000 0.445 231 S N 4.004 119.646 115.700 -0.096 0.000 2.569 231 S HA 0.001 4.449 4.470 -0.036 0.000 0.274 231 S C 1.184 175.751 174.600 -0.055 0.000 1.353 231 S CA 0.008 58.185 58.200 -0.038 0.000 1.023 231 S CB 0.538 63.741 63.200 0.004 0.000 0.876 231 S HN 0.811 nan 8.310 nan 0.000 0.540 232 L N 1.041 122.251 121.223 -0.022 0.000 2.046 232 L HA -0.062 4.256 4.340 -0.036 0.000 0.208 232 L C 1.800 178.665 176.870 -0.008 0.000 1.077 232 L CA 2.095 56.924 54.840 -0.018 0.000 0.747 232 L CB -1.143 40.921 42.059 0.008 0.000 0.896 232 L HN 0.765 nan 8.230 nan 0.000 0.432 233 D N -0.388 120.014 120.400 0.003 0.000 2.117 233 D HA -0.184 4.434 4.640 -0.036 0.000 0.197 233 D C 1.952 178.274 176.300 0.036 0.000 0.987 233 D CA 1.646 55.654 54.000 0.013 0.000 0.829 233 D CB -0.345 40.457 40.800 0.004 0.000 0.961 233 D HN 0.574 nan 8.370 nan 0.000 0.460 234 N N -0.005 118.715 118.700 0.033 0.000 2.244 234 N HA -0.105 4.613 4.740 -0.036 0.000 0.183 234 N C 1.794 177.397 175.510 0.156 0.000 1.016 234 N CA 0.080 53.181 53.050 0.086 0.000 0.866 234 N CB 0.064 38.581 38.487 0.050 0.000 0.980 234 N HN 0.021 nan 8.380 nan 0.000 0.430 235 L N 1.218 122.465 121.223 0.040 0.000 2.056 235 L HA -0.011 4.307 4.340 -0.036 0.000 0.207 235 L C 2.146 179.134 176.870 0.196 0.000 1.078 235 L CA 1.430 56.303 54.840 0.054 0.000 0.749 235 L CB -0.702 41.225 42.059 -0.221 0.000 0.901 235 L HN 0.033 nan 8.230 nan 0.000 0.433 236 A N -0.275 122.614 122.820 0.114 0.000 1.933 236 A HA -0.188 4.110 4.320 -0.036 0.000 0.218 236 A C 2.399 180.071 177.584 0.147 0.000 1.175 236 A CA 1.673 53.778 52.037 0.114 0.000 0.628 236 A CB -0.536 18.497 19.000 0.055 0.000 0.814 236 A HN 0.537 nan 8.150 nan 0.000 0.444 237 R N -2.004 118.591 120.500 0.157 0.000 2.075 237 R HA -0.090 4.228 4.340 -0.036 0.000 0.232 237 R C 2.020 178.451 176.300 0.218 0.000 1.126 237 R CA 1.499 57.696 56.100 0.162 0.000 0.963 237 R CB -0.527 29.849 30.300 0.127 0.000 0.858 237 R HN 0.585 nan 8.270 nan 0.000 0.435 238 F N 1.502 121.535 119.950 0.139 0.000 2.075 238 F HA -0.197 4.313 4.527 -0.029 0.000 0.297 238 F C 2.117 177.960 175.800 0.072 0.000 1.113 238 F CA 1.249 59.318 58.000 0.115 0.000 1.218 238 F CB -0.429 38.702 39.000 0.218 0.000 0.984 238 F HN -0.300 nan 8.300 nan 0.000 0.472 239 V N 0.453 120.388 119.914 0.034 0.000 2.287 239 V HA -0.371 3.728 4.120 -0.036 0.000 0.248 239 V C 2.610 178.632 176.094 -0.121 0.000 1.053 239 V CA 2.452 64.674 62.300 -0.130 0.000 1.027 239 V CB -1.074 30.797 31.823 0.080 0.000 0.646 239 V HN 0.532 nan 8.190 nan 0.000 0.447 240 H N -0.488 118.539 119.070 -0.072 0.000 2.357 240 H HA -0.085 4.452 4.556 -0.032 0.000 0.301 240 H C 2.331 177.639 175.328 -0.032 0.000 1.082 240 H CA 1.734 57.759 56.048 -0.039 0.000 1.342 240 H CB 0.066 29.829 29.762 0.003 0.000 1.389 240 H HN 0.330 nan 8.280 nan 0.000 0.511 241 L N -0.163 121.049 121.223 -0.018 0.000 2.127 241 L HA -0.233 4.085 4.340 -0.036 0.000 0.211 241 L C 2.944 179.809 176.870 -0.009 0.000 1.089 241 L CA 0.897 55.761 54.840 0.040 0.000 0.757 241 L CB -0.274 41.799 42.059 0.023 0.000 0.899 241 L HN 0.399 nan 8.230 nan 0.000 0.434 242 C N -0.689 118.445 119.300 -0.278 0.000 2.457 242 C HA -0.090 4.348 4.460 -0.036 0.000 0.278 242 C C 2.875 177.716 174.990 -0.248 0.000 1.309 242 C CA 0.410 59.203 59.018 -0.375 0.000 1.735 242 C CB -0.835 26.485 27.740 -0.701 0.000 1.992 242 C HN 0.442 nan 8.230 nan 0.000 0.493 243 R N 0.831 121.187 120.500 -0.242 0.000 2.066 243 R HA -0.101 4.217 4.340 -0.036 0.000 0.232 243 R C 2.151 178.340 176.300 -0.184 0.000 1.131 243 R CA 1.320 57.294 56.100 -0.209 0.000 0.955 243 R CB -0.311 29.865 30.300 -0.207 0.000 0.851 243 R HN 0.634 nan 8.270 nan 0.000 0.432 244 E N -0.023 120.062 120.200 -0.192 0.000 2.085 244 E HA -0.229 4.100 4.350 -0.036 0.000 0.194 244 E C 1.745 178.314 176.600 -0.051 0.000 0.994 244 E CA 1.245 57.610 56.400 -0.058 0.000 0.801 244 E CB -0.190 29.569 29.700 0.097 0.000 0.743 244 E HN 0.211 nan 8.360 nan 0.000 0.453 245 F N 1.212 120.958 119.950 -0.340 0.000 2.102 245 F HA -0.208 4.298 4.527 -0.035 0.000 0.298 245 F C 2.241 177.808 175.800 -0.388 0.000 1.105 245 F CA 1.324 58.906 58.000 -0.698 0.000 1.239 245 F CB -0.031 38.515 39.000 -0.756 0.000 0.991 245 F HN -0.055 nan 8.300 nan 0.000 0.474 246 M N 0.059 119.498 119.600 -0.268 0.000 2.213 246 M HA -0.187 4.271 4.480 -0.036 0.000 0.263 246 M C 2.161 178.302 176.300 -0.265 0.000 1.062 246 M CA 1.465 56.599 55.300 -0.276 0.000 1.105 246 M CB -1.330 31.164 32.600 -0.176 0.000 1.385 246 M HN 0.364 nan 8.290 nan 0.000 0.417 247 E N 0.016 120.088 120.200 -0.215 0.000 2.072 247 E HA 0.008 4.336 4.350 -0.036 0.000 0.190 247 E C 0.042 176.548 176.600 -0.156 0.000 0.982 247 E CA 0.940 57.249 56.400 -0.152 0.000 0.803 247 E CB 0.306 29.943 29.700 -0.104 0.000 0.755 247 E HN 0.337 nan 8.360 nan 0.000 0.453 248 A N 1.541 124.244 122.820 -0.194 0.000 3.156 248 A HA 0.375 4.673 4.320 -0.036 0.000 0.311 248 A C -2.715 174.717 177.584 -0.254 0.000 1.129 248 A CA -1.260 50.689 52.037 -0.147 0.000 0.809 248 A CB 0.560 19.551 19.000 -0.015 0.000 1.257 248 A HN 0.005 nan 8.150 nan 0.000 0.491 249 P HA 0.208 nan 4.420 nan 0.000 0.266 249 P C 0.037 177.215 177.300 -0.203 0.000 1.186 249 P CA 0.769 63.397 63.100 -0.785 0.000 0.767 249 P CB 0.703 32.034 31.700 -0.616 0.000 0.820 250 S N 1.278 117.028 115.700 0.085 0.000 2.583 250 S HA 0.178 4.626 4.470 -0.036 0.000 0.294 250 S C 0.297 175.295 174.600 0.662 0.000 1.121 250 S CA -0.754 57.676 58.200 0.383 0.000 0.910 250 S CB 0.127 63.601 63.200 0.458 0.000 1.102 250 S HN 0.434 nan 8.310 nan 0.000 0.451 251 L N 3.080 124.571 121.223 0.445 0.000 2.675 251 L HA 0.420 4.739 4.340 -0.036 0.000 0.238 251 L C 1.625 178.802 176.870 0.511 0.000 1.155 251 L CA 1.087 56.224 54.840 0.495 0.000 0.881 251 L CB -0.771 41.396 42.059 0.180 0.000 1.008 251 L HN 0.690 nan 8.230 nan 0.000 0.443 252 G N 0.176 109.243 108.800 0.445 0.000 2.484 252 G HA2 -0.175 3.763 3.960 -0.036 0.000 0.218 252 G HA3 -0.175 3.763 3.960 -0.036 0.000 0.218 252 G C 1.026 176.058 174.900 0.221 0.000 1.130 252 G CA 0.209 45.463 45.100 0.257 0.000 0.784 252 G HN 0.427 nan 8.290 nan 0.000 0.543 253 F N -0.357 119.764 119.950 0.286 0.000 2.699 253 F HA 0.236 4.746 4.527 -0.028 0.000 0.298 253 F C 1.404 177.100 175.800 -0.172 0.000 1.154 253 F CA 0.381 58.424 58.000 0.072 0.000 1.457 253 F CB 0.024 39.180 39.000 0.260 0.000 1.106 253 F HN 0.094 nan 8.300 nan 0.000 0.585 254 F N -0.619 119.485 119.950 0.257 0.000 2.706 254 F HA 0.220 4.723 4.527 -0.041 0.000 0.308 254 F C 0.648 176.487 175.800 0.064 0.000 1.095 254 F CA -0.382 57.699 58.000 0.135 0.000 1.244 254 F CB -0.143 38.915 39.000 0.097 0.000 1.063 254 F HN -0.391 nan 8.300 nan 0.000 0.582 255 K N 1.861 122.392 120.400 0.217 0.000 2.211 255 K HA 0.324 4.623 4.320 -0.036 0.000 0.275 255 K C -2.528 174.113 176.600 0.070 0.000 1.024 255 K CA -1.854 54.512 56.287 0.132 0.000 0.887 255 K CB 0.745 33.322 32.500 0.128 0.000 1.084 255 K HN -0.227 nan 8.250 nan 0.000 0.463 256 P HA -0.095 nan 4.420 nan 0.000 0.262 256 P C -0.694 176.635 177.300 0.048 0.000 1.182 256 P CA 0.190 63.309 63.100 0.032 0.000 0.761 256 P CB 0.402 32.126 31.700 0.040 0.000 0.795 257 K N 2.857 123.259 120.400 0.004 0.000 2.469 257 K HA 0.011 4.310 4.320 -0.036 0.000 0.274 257 K C 0.414 177.070 176.600 0.093 0.000 0.983 257 K CA 0.279 56.561 56.287 -0.008 0.000 0.974 257 K CB -0.238 32.189 32.500 -0.122 0.000 0.913 257 K HN 0.620 nan 8.250 nan 0.000 0.493 258 H N 2.396 121.447 119.070 -0.033 0.000 3.195 258 H HA -0.074 4.460 4.556 -0.036 0.000 0.302 258 H C -1.295 174.020 175.328 -0.021 0.000 0.950 258 H CA -1.118 54.916 56.048 -0.023 0.000 1.398 258 H CB -0.068 29.678 29.762 -0.026 0.000 1.377 258 H HN 0.374 nan 8.280 nan 0.000 0.572 259 P HA -0.151 nan 4.420 nan 0.000 0.218 259 P C -0.227 177.097 177.300 0.040 0.000 1.146 259 P CA 0.626 63.757 63.100 0.052 0.000 0.813 259 P CB 0.225 31.947 31.700 0.037 0.000 0.778 260 L N -0.716 120.543 121.223 0.059 0.000 2.883 260 L HA -0.176 4.142 4.340 -0.036 0.000 0.559 260 L C 0.652 177.528 176.870 0.011 0.000 1.001 260 L CA 0.660 55.521 54.840 0.035 0.000 1.291 260 L CB -0.851 41.215 42.059 0.012 0.000 1.557 260 L HN 0.143 nan 8.230 nan 0.000 0.761 261 E N 5.190 125.394 120.200 0.007 0.000 2.372 261 E HA 0.212 4.541 4.350 -0.036 0.000 0.201 261 E C 1.045 177.637 176.600 -0.014 0.000 0.938 261 E CA 0.091 56.490 56.400 -0.003 0.000 0.944 261 E CB 0.449 30.148 29.700 -0.001 0.000 0.937 261 E HN 0.736 nan 8.360 nan 0.000 0.495 262 I N 3.460 124.019 120.570 -0.018 0.000 2.741 262 I HA -0.241 3.908 4.170 -0.036 0.000 0.133 262 I C -0.162 175.928 176.117 -0.044 0.000 0.884 262 I CA 0.402 61.682 61.300 -0.033 0.000 2.774 262 I CB 0.445 38.419 38.000 -0.044 0.000 0.560 262 I HN 0.007 nan 8.210 nan 0.000 0.352 263 E N 10.148 130.322 120.200 -0.043 0.000 2.415 263 E HA 0.046 4.374 4.350 -0.036 0.000 0.262 263 E C -1.402 175.151 176.600 -0.078 0.000 1.038 263 E CA -1.276 55.097 56.400 -0.045 0.000 0.921 263 E CB 0.152 29.832 29.700 -0.033 0.000 0.950 263 E HN 0.505 nan 8.360 nan 0.000 0.438 264 P HA -0.165 nan 4.420 nan 0.000 0.222 264 P C 1.002 178.201 177.300 -0.168 0.000 1.147 264 P CA 1.049 64.082 63.100 -0.112 0.000 0.790 264 P CB 0.539 32.243 31.700 0.006 0.000 0.780 265 E N 0.713 120.861 120.200 -0.087 0.000 2.150 265 E HA -0.166 4.163 4.350 -0.036 0.000 0.193 265 E C 2.348 178.880 176.600 -0.113 0.000 0.985 265 E CA 0.965 57.322 56.400 -0.071 0.000 0.814 265 E CB -0.609 29.075 29.700 -0.028 0.000 0.752 265 E HN 0.073 nan 8.360 nan 0.000 0.466 266 R N -0.562 119.865 120.500 -0.122 0.000 2.090 266 R HA -0.052 4.266 4.340 -0.036 0.000 0.228 266 R C 2.198 178.387 176.300 -0.185 0.000 1.110 266 R CA 1.028 57.057 56.100 -0.118 0.000 0.973 266 R CB -0.366 29.881 30.300 -0.088 0.000 0.869 266 R HN 0.273 nan 8.270 nan 0.000 0.440 267 L N 1.419 122.467 121.223 -0.292 0.000 2.012 267 L HA -0.160 4.159 4.340 -0.036 0.000 0.210 267 L C 2.517 179.056 176.870 -0.552 0.000 1.073 267 L CA 1.861 56.441 54.840 -0.433 0.000 0.748 267 L CB -0.586 41.104 42.059 -0.615 0.000 0.891 267 L HN 0.169 nan 8.230 nan 0.000 0.431 268 R N -0.276 119.817 120.500 -0.678 0.000 2.096 268 R HA -0.232 4.086 4.340 -0.036 0.000 0.240 268 R C 2.286 178.532 176.300 -0.089 0.000 1.139 268 R CA 2.122 58.017 56.100 -0.342 0.000 0.952 268 R CB -0.203 30.067 30.300 -0.050 0.000 0.854 268 R HN 0.388 nan 8.270 nan 0.000 0.436 269 K N 0.049 120.395 120.400 -0.091 0.000 2.097 269 K HA -0.110 4.188 4.320 -0.036 0.000 0.206 269 K C 2.148 178.729 176.600 -0.032 0.000 1.049 269 K CA 1.566 57.831 56.287 -0.037 0.000 0.933 269 K CB -0.123 32.355 32.500 -0.037 0.000 0.717 269 K HN 0.288 nan 8.250 nan 0.000 0.442 270 I N 0.626 121.157 120.570 -0.065 0.000 2.202 270 I HA -0.256 3.892 4.170 -0.036 0.000 0.242 270 I C 2.197 178.309 176.117 -0.008 0.000 1.091 270 I CA 1.005 62.280 61.300 -0.042 0.000 1.368 270 I CB -0.309 37.653 38.000 -0.065 0.000 1.058 270 I HN -0.077 nan 8.210 nan 0.000 0.410 271 V N 0.939 120.853 119.914 -0.000 0.000 2.332 271 V HA -0.319 3.779 4.120 -0.036 0.000 0.248 271 V C 2.523 178.665 176.094 0.081 0.000 1.055 271 V CA 2.209 64.555 62.300 0.076 0.000 1.038 271 V CB -0.785 31.156 31.823 0.196 0.000 0.651 271 V HN 0.530 nan 8.190 nan 0.000 0.450 272 E N 0.351 120.594 120.200 0.071 0.000 2.051 272 E HA -0.275 4.054 4.350 -0.036 0.000 0.192 272 E C 2.167 178.793 176.600 0.044 0.000 0.991 272 E CA 1.773 58.211 56.400 0.064 0.000 0.799 272 E CB -0.109 29.624 29.700 0.055 0.000 0.748 272 E HN 0.742 nan 8.360 nan 0.000 0.449 273 E N 0.143 120.360 120.200 0.029 0.000 2.085 273 E HA -0.191 4.137 4.350 -0.036 0.000 0.194 273 E C 2.320 178.937 176.600 0.028 0.000 0.994 273 E CA 1.045 57.459 56.400 0.022 0.000 0.801 273 E CB -0.105 29.601 29.700 0.011 0.000 0.743 273 E HN 0.245 nan 8.360 nan 0.000 0.453 274 R N -0.359 120.161 120.500 0.033 0.000 2.148 274 R HA -0.033 4.285 4.340 -0.036 0.000 0.227 274 R C 1.478 177.807 176.300 0.049 0.000 1.103 274 R CA 0.659 56.782 56.100 0.039 0.000 0.983 274 R CB -0.169 30.157 30.300 0.043 0.000 0.874 274 R HN 0.280 nan 8.270 nan 0.000 0.451 275 G N 1.756 110.590 108.800 0.056 0.000 2.225 275 G HA2 -0.310 3.628 3.960 -0.036 0.000 0.267 275 G HA3 -0.310 3.628 3.960 -0.036 0.000 0.267 275 G C 0.216 175.159 174.900 0.071 0.000 1.024 275 G CA 0.797 45.933 45.100 0.060 0.000 0.784 275 G HN 0.483 nan 8.290 nan 0.000 0.507 276 T N -2.566 112.037 114.554 0.082 0.000 2.936 276 T HA 0.799 5.127 4.350 -0.036 0.000 0.282 276 T C 0.289 175.060 174.700 0.118 0.000 1.003 276 T CA -0.022 62.135 62.100 0.095 0.000 1.005 276 T CB 2.308 71.230 68.868 0.090 0.000 1.097 276 T HN 1.586 nan 8.240 nan 0.000 0.532 277 A N 1.258 124.162 122.820 0.140 0.000 2.294 277 A HA 0.615 4.914 4.320 -0.036 0.000 0.316 277 A C -0.369 177.354 177.584 0.232 0.000 1.359 277 A CA -0.700 51.453 52.037 0.193 0.000 0.956 277 A CB -0.171 18.954 19.000 0.210 0.000 1.155 277 A HN 0.728 nan 8.150 nan 0.000 0.544 278 V N 4.646 124.689 119.914 0.216 0.000 2.357 278 V HA 0.655 4.753 4.120 -0.036 0.000 0.284 278 V C -0.478 175.749 176.094 0.222 0.000 1.018 278 V CA -0.183 62.207 62.300 0.151 0.000 0.841 278 V CB -0.028 31.894 31.823 0.165 0.000 0.991 278 V HN 0.827 nan 8.190 nan 0.000 0.437 279 F N 2.713 122.732 119.950 0.115 0.000 2.715 279 F HA 1.029 5.534 4.527 -0.036 0.000 0.318 279 F C -0.406 175.511 175.800 0.194 0.000 1.141 279 F CA -1.264 56.799 58.000 0.106 0.000 0.950 279 F CB 1.715 40.761 39.000 0.076 0.000 1.374 279 F HN 0.564 nan 8.300 nan 0.000 0.477 280 A N 0.627 123.722 122.820 0.458 0.000 2.549 280 A HA 0.717 5.015 4.320 -0.036 0.000 0.297 280 A C -2.014 175.843 177.584 0.455 0.000 1.061 280 A CA -0.857 51.409 52.037 0.380 0.000 0.690 280 A CB 1.600 20.757 19.000 0.261 0.000 1.287 280 A HN 0.860 nan 8.150 nan 0.000 0.402 281 V N 2.248 122.438 119.914 0.461 0.000 2.383 281 V HA 0.431 4.529 4.120 -0.036 0.000 0.275 281 V C 0.262 176.566 176.094 0.349 0.000 1.036 281 V CA -0.286 62.258 62.300 0.406 0.000 0.889 281 V CB 1.182 33.226 31.823 0.367 0.000 0.985 281 V HN 0.863 nan 8.190 nan 0.000 0.459 282 K N 5.932 126.474 120.400 0.236 0.000 2.221 282 K HA 0.766 5.064 4.320 -0.036 0.000 0.258 282 K C -1.198 175.456 176.600 0.089 0.000 0.944 282 K CA -0.466 55.800 56.287 -0.034 0.000 0.823 282 K CB 1.488 33.873 32.500 -0.192 0.000 1.113 282 K HN 0.587 nan 8.250 nan 0.000 0.431 283 F N -0.799 119.081 119.950 -0.117 0.000 2.741 283 F HA 0.497 5.002 4.527 -0.037 0.000 0.313 283 F C -0.937 175.024 175.800 0.268 0.000 1.153 283 F CA -1.494 56.507 58.000 0.002 0.000 0.931 283 F CB 0.873 39.844 39.000 -0.049 0.000 1.335 283 F HN 0.247 nan 8.300 nan 0.000 0.460 284 R N 1.728 122.514 120.500 0.478 0.000 2.442 284 R HA 0.186 4.504 4.340 -0.036 0.000 0.291 284 R C -0.313 176.014 176.300 0.044 0.000 1.069 284 R CA -0.634 55.576 56.100 0.183 0.000 1.022 284 R CB 0.937 31.336 30.300 0.165 0.000 0.976 284 R HN 0.675 nan 8.270 nan 0.000 0.443 285 K N 4.967 125.285 120.400 -0.136 0.000 2.416 285 K HA 0.112 4.410 4.320 -0.036 0.000 0.283 285 K C -2.152 174.430 176.600 -0.030 0.000 1.037 285 K CA -1.305 54.919 56.287 -0.105 0.000 0.995 285 K CB 0.533 32.952 32.500 -0.136 0.000 0.938 285 K HN 0.203 nan 8.250 nan 0.000 0.475 286 P HA 0.016 nan 4.420 nan 0.000 0.271 286 P C -1.124 176.173 177.300 -0.005 0.000 1.216 286 P CA -0.226 62.888 63.100 0.023 0.000 0.776 286 P CB 0.592 32.319 31.700 0.044 0.000 0.881 287 D N 3.196 123.588 120.400 -0.013 0.000 2.551 287 D HA 0.203 4.821 4.640 -0.036 0.000 0.223 287 D C -0.186 176.105 176.300 -0.016 0.000 1.144 287 D CA -0.054 53.934 54.000 -0.021 0.000 1.025 287 D CB -0.994 39.788 40.800 -0.029 0.000 1.085 287 D HN 0.257 nan 8.370 nan 0.000 0.506 288 I N -1.653 118.915 120.570 -0.004 0.000 3.191 288 I HA 0.516 4.664 4.170 -0.036 0.000 0.313 288 I C -0.542 175.589 176.117 0.024 0.000 1.193 288 I CA -1.412 59.888 61.300 0.000 0.000 0.968 288 I CB 1.486 39.490 38.000 0.007 0.000 1.262 288 I HN -0.300 nan 8.210 nan 0.000 0.456 289 V N 2.895 122.827 119.914 0.030 0.000 2.740 289 V HA -0.030 4.069 4.120 -0.036 0.000 0.303 289 V C 0.962 177.135 176.094 0.132 0.000 1.054 289 V CA 0.543 62.884 62.300 0.068 0.000 1.106 289 V CB 0.595 32.456 31.823 0.064 0.000 0.957 289 V HN 0.852 nan 8.190 nan 0.000 0.486 290 D N 1.853 122.358 120.400 0.176 0.000 2.170 290 D HA -0.185 4.433 4.640 -0.036 0.000 0.193 290 D C 1.675 178.168 176.300 0.321 0.000 1.004 290 D CA 1.877 56.060 54.000 0.304 0.000 0.860 290 D CB -0.082 40.834 40.800 0.194 0.000 0.931 290 D HN 0.704 nan 8.370 nan 0.000 0.448 291 D N -0.293 120.241 120.400 0.224 0.000 2.351 291 D HA -0.088 4.530 4.640 -0.036 0.000 0.216 291 D C 1.334 177.764 176.300 0.216 0.000 0.968 291 D CA 0.544 54.701 54.000 0.261 0.000 0.899 291 D CB 0.068 41.008 40.800 0.233 0.000 0.907 291 D HN 0.254 nan 8.370 nan 0.000 0.514 292 N N 0.205 118.994 118.700 0.149 0.000 2.482 292 N HA -0.010 4.708 4.740 -0.036 0.000 0.179 292 N C 1.833 177.369 175.510 0.042 0.000 1.039 292 N CA -0.060 53.034 53.050 0.074 0.000 0.884 292 N CB 0.042 38.560 38.487 0.053 0.000 1.113 292 N HN 0.115 nan 8.380 nan 0.000 0.440 293 L N 0.775 122.046 121.223 0.080 0.000 1.961 293 L HA -0.095 4.223 4.340 -0.036 0.000 0.210 293 L C 1.855 178.668 176.870 -0.095 0.000 1.072 293 L CA 1.714 56.551 54.840 -0.006 0.000 0.749 293 L CB -1.027 41.020 42.059 -0.019 0.000 0.889 293 L HN 0.040 nan 8.230 nan 0.000 0.432 294 Y N 0.011 120.283 120.300 -0.046 0.000 2.139 294 Y HA -0.212 4.317 4.550 -0.036 0.000 0.282 294 Y C -0.258 175.516 175.900 -0.210 0.000 1.179 294 Y CA 2.290 60.330 58.100 -0.099 0.000 1.161 294 Y CB -2.259 36.247 38.460 0.077 0.000 0.970 294 Y HN 0.316 nan 8.280 nan 0.000 0.511 295 P HA -0.156 nan 4.420 nan 0.000 0.218 295 P C 1.155 178.338 177.300 -0.195 0.000 1.149 295 P CA 1.817 64.777 63.100 -0.233 0.000 0.817 295 P CB -0.029 31.418 31.700 -0.423 0.000 0.785 296 Q N -1.003 118.692 119.800 -0.175 0.000 2.123 296 Q HA -0.031 4.287 4.340 -0.036 0.000 0.199 296 Q C 2.089 177.965 176.000 -0.206 0.000 0.966 296 Q CA 0.970 56.680 55.803 -0.154 0.000 0.845 296 Q CB -0.529 28.145 28.738 -0.107 0.000 0.907 296 Q HN 0.286 nan 8.270 nan 0.000 0.439 297 L N 0.521 121.533 121.223 -0.352 0.000 2.141 297 L HA -0.180 4.138 4.340 -0.036 0.000 0.209 297 L C 2.037 178.514 176.870 -0.655 0.000 1.094 297 L CA 1.095 55.596 54.840 -0.566 0.000 0.763 297 L CB -0.278 41.172 42.059 -1.016 0.000 0.908 297 L HN 0.272 nan 8.230 nan 0.000 0.437 298 E N -0.439 119.447 120.200 -0.523 0.000 2.072 298 E HA -0.195 4.133 4.350 -0.036 0.000 0.191 298 E C 2.330 178.901 176.600 -0.049 0.000 0.985 298 E CA 0.569 56.866 56.400 -0.171 0.000 0.801 298 E CB 0.006 29.691 29.700 -0.024 0.000 0.750 298 E HN 0.253 nan 8.360 nan 0.000 0.452 299 R N 0.855 121.308 120.500 -0.078 0.000 2.061 299 R HA -0.101 4.217 4.340 -0.036 0.000 0.230 299 R C 2.265 178.574 176.300 0.015 0.000 1.140 299 R CA 1.403 57.488 56.100 -0.026 0.000 0.940 299 R CB -0.445 29.822 30.300 -0.055 0.000 0.839 299 R HN 0.146 nan 8.270 nan 0.000 0.429 300 A N 0.338 123.148 122.820 -0.018 0.000 1.873 300 A HA -0.232 4.066 4.320 -0.036 0.000 0.218 300 A C 2.303 179.975 177.584 0.147 0.000 1.193 300 A CA 2.386 54.438 52.037 0.025 0.000 0.629 300 A CB -1.045 17.930 19.000 -0.042 0.000 0.826 300 A HN 0.538 nan 8.150 nan 0.000 0.447 301 S N -0.859 114.933 115.700 0.154 0.000 2.383 301 S HA -0.237 4.211 4.470 -0.036 0.000 0.229 301 S C 2.221 177.042 174.600 0.368 0.000 1.030 301 S CA 1.764 60.145 58.200 0.302 0.000 1.002 301 S CB -0.384 62.949 63.200 0.222 0.000 0.829 301 S HN 0.632 nan 8.310 nan 0.000 0.467 302 R N 0.194 120.829 120.500 0.224 0.000 2.075 302 R HA 0.064 4.382 4.340 -0.036 0.000 0.226 302 R C 2.258 178.699 176.300 0.235 0.000 1.114 302 R CA 0.911 57.138 56.100 0.212 0.000 0.972 302 R CB -0.185 30.183 30.300 0.114 0.000 0.869 302 R HN 0.202 nan 8.270 nan 0.000 0.437 303 K N 0.759 121.270 120.400 0.184 0.000 2.097 303 K HA -0.103 4.195 4.320 -0.036 0.000 0.206 303 K C 2.025 178.681 176.600 0.092 0.000 1.049 303 K CA 1.203 57.590 56.287 0.167 0.000 0.933 303 K CB -0.149 32.470 32.500 0.198 0.000 0.717 303 K HN 0.320 nan 8.250 nan 0.000 0.442 304 I N -0.283 120.365 120.570 0.129 0.000 2.353 304 I HA -0.223 3.925 4.170 -0.036 0.000 0.248 304 I C 2.191 178.274 176.117 -0.057 0.000 1.119 304 I CA 0.612 61.866 61.300 -0.077 0.000 1.417 304 I CB -0.211 37.776 38.000 -0.022 0.000 1.078 304 I HN -0.022 nan 8.210 nan 0.000 0.421 305 F N 2.091 122.072 119.950 0.052 0.000 2.134 305 F HA -0.210 4.295 4.527 -0.036 0.000 0.299 305 F C 2.414 178.223 175.800 0.015 0.000 1.097 305 F CA 1.742 59.797 58.000 0.092 0.000 1.264 305 F CB -0.104 39.030 39.000 0.223 0.000 1.001 305 F HN 0.030 nan 8.300 nan 0.000 0.479 306 E N -0.592 119.724 120.200 0.194 0.000 2.150 306 E HA -0.236 4.093 4.350 -0.036 0.000 0.193 306 E C 2.066 178.614 176.600 -0.087 0.000 0.985 306 E CA 1.317 57.760 56.400 0.072 0.000 0.814 306 E CB -0.554 29.216 29.700 0.116 0.000 0.752 306 E HN 0.543 nan 8.360 nan 0.000 0.466 307 F N 1.649 121.409 119.950 -0.316 0.000 2.134 307 F HA -0.141 4.364 4.527 -0.037 0.000 0.299 307 F C 1.858 177.484 175.800 -0.291 0.000 1.097 307 F CA 1.186 58.918 58.000 -0.447 0.000 1.264 307 F CB -0.096 38.312 39.000 -0.986 0.000 1.001 307 F HN -0.109 nan 8.300 nan 0.000 0.479 308 L N 0.523 121.532 121.223 -0.357 0.000 2.093 308 L HA -0.177 4.141 4.340 -0.036 0.000 0.208 308 L C 2.588 179.260 176.870 -0.330 0.000 1.085 308 L CA 1.752 56.402 54.840 -0.316 0.000 0.755 308 L CB -0.857 41.049 42.059 -0.256 0.000 0.904 308 L HN 0.335 nan 8.230 nan 0.000 0.435 309 E N 1.101 121.081 120.200 -0.366 0.000 2.072 309 E HA -0.243 4.085 4.350 -0.036 0.000 0.190 309 E C 2.061 178.515 176.600 -0.244 0.000 0.982 309 E CA 0.960 57.191 56.400 -0.282 0.000 0.803 309 E CB -0.358 29.209 29.700 -0.222 0.000 0.755 309 E HN 0.554 nan 8.360 nan 0.000 0.453 310 R N 0.718 121.069 120.500 -0.247 0.000 2.280 310 R HA 0.009 4.327 4.340 -0.036 0.000 0.207 310 R C 1.270 177.379 176.300 -0.319 0.000 1.043 310 R CA 1.156 57.124 56.100 -0.220 0.000 1.006 310 R CB -0.018 30.189 30.300 -0.154 0.000 0.885 310 R HN 0.020 nan 8.270 nan 0.000 0.467 311 E N 1.216 121.137 120.200 -0.466 0.000 2.444 311 E HA 0.064 4.392 4.350 -0.036 0.000 0.191 311 E C -0.681 175.503 176.600 -0.693 0.000 1.041 311 E CA -0.112 55.942 56.400 -0.576 0.000 0.883 311 E CB -0.242 29.000 29.700 -0.764 0.000 1.024 311 E HN 0.472 nan 8.360 nan 0.000 0.470 312 N N -1.115 117.296 118.700 -0.483 0.000 2.741 312 N HA -0.225 4.493 4.740 -0.036 0.000 0.250 312 N C -0.251 174.992 175.510 -0.446 0.000 1.115 312 N CA 0.518 53.319 53.050 -0.415 0.000 0.724 312 N CB -1.342 36.920 38.487 -0.376 0.000 1.090 312 N HN 0.116 nan 8.380 nan 0.000 0.558 313 F N 0.259 120.112 119.950 -0.162 0.000 2.765 313 F HA 0.330 4.835 4.527 -0.037 0.000 0.302 313 F C 1.041 176.784 175.800 -0.095 0.000 1.111 313 F CA 0.094 58.028 58.000 -0.109 0.000 1.359 313 F CB -0.014 38.916 39.000 -0.117 0.000 1.097 313 F HN 0.086 nan 8.300 nan 0.000 0.577 314 M N 0.249 119.845 119.600 -0.007 0.000 2.573 314 M HA -0.182 4.276 4.480 -0.036 0.000 0.184 314 M C -2.536 173.750 176.300 -0.022 0.000 0.953 314 M CA -0.280 55.006 55.300 -0.023 0.000 0.592 314 M CB -1.756 30.851 32.600 0.012 0.000 1.151 314 M HN -0.161 nan 8.290 nan 0.000 0.850 315 P HA 0.125 nan 4.420 nan 0.000 0.268 315 P C 0.299 177.617 177.300 0.029 0.000 1.204 315 P CA 0.185 63.160 63.100 -0.208 0.000 0.768 315 P CB 0.722 31.849 31.700 -0.954 0.000 0.842 316 L N 2.313 123.646 121.223 0.182 0.000 2.265 316 L HA 0.229 4.547 4.340 -0.036 0.000 0.195 316 L C 1.202 178.277 176.870 0.342 0.000 1.083 316 L CA 1.041 56.013 54.840 0.221 0.000 0.798 316 L CB -0.083 42.056 42.059 0.133 0.000 0.989 316 L HN 0.345 nan 8.230 nan 0.000 0.472 317 R N -1.395 119.315 120.500 0.350 0.000 2.734 317 R HA 0.470 4.788 4.340 -0.036 0.000 0.271 317 R C -1.279 175.156 176.300 0.223 0.000 1.021 317 R CA -0.432 55.802 56.100 0.223 0.000 0.893 317 R CB 2.178 32.506 30.300 0.046 0.000 1.244 317 R HN 0.121 nan 8.270 nan 0.000 0.464 318 S N -0.014 115.688 115.700 0.004 0.000 2.599 318 S HA 0.954 5.402 4.470 -0.036 0.000 0.287 318 S C -1.046 173.434 174.600 -0.200 0.000 1.105 318 S CA -0.498 57.641 58.200 -0.103 0.000 0.899 318 S CB 2.525 65.732 63.200 0.011 0.000 1.100 318 S HN 0.811 nan 8.310 nan 0.000 0.482 319 A N 0.818 123.472 122.820 -0.277 0.000 2.588 319 A HA 0.939 5.237 4.320 -0.036 0.000 0.290 319 A C -1.566 175.917 177.584 -0.169 0.000 1.136 319 A CA -0.878 50.987 52.037 -0.287 0.000 0.681 319 A CB 0.902 19.745 19.000 -0.261 0.000 1.282 319 A HN 1.886 nan 8.150 nan 0.000 0.421 320 F N -1.541 118.353 119.950 -0.093 0.000 2.678 320 F HA 0.875 5.381 4.527 -0.036 0.000 0.308 320 F C -0.966 174.829 175.800 -0.009 0.000 1.118 320 F CA -0.949 57.019 58.000 -0.053 0.000 0.959 320 F CB 1.623 40.599 39.000 -0.041 0.000 1.305 320 F HN 0.573 nan 8.300 nan 0.000 0.443 321 K N 1.814 122.387 120.400 0.289 0.000 2.498 321 K HA 0.824 5.122 4.320 -0.036 0.000 0.254 321 K C -2.004 174.740 176.600 0.240 0.000 0.933 321 K CA -0.712 55.698 56.287 0.204 0.000 0.806 321 K CB 2.292 34.814 32.500 0.037 0.000 1.301 321 K HN 1.181 nan 8.250 nan 0.000 0.432 322 A N 2.440 125.364 122.820 0.174 0.000 2.311 322 A HA 0.529 4.827 4.320 -0.036 0.000 0.306 322 A C -0.213 177.460 177.584 0.148 0.000 1.189 322 A CA -0.528 51.573 52.037 0.106 0.000 0.791 322 A CB 0.739 19.704 19.000 -0.058 0.000 1.172 322 A HN 0.757 nan 8.150 nan 0.000 0.481 323 S N 1.618 117.428 115.700 0.184 0.000 2.690 323 S HA 0.411 4.860 4.470 -0.036 0.000 0.285 323 S C 0.530 175.181 174.600 0.086 0.000 1.135 323 S CA -0.305 57.992 58.200 0.161 0.000 1.020 323 S CB 0.547 63.893 63.200 0.245 0.000 1.159 323 S HN 0.636 nan 8.310 nan 0.000 0.534 324 E N 0.702 120.938 120.200 0.060 0.000 2.285 324 E HA -0.082 4.246 4.350 -0.036 0.000 0.194 324 E C 1.789 178.345 176.600 -0.072 0.000 0.997 324 E CA 1.017 57.419 56.400 0.005 0.000 0.845 324 E CB -0.053 29.652 29.700 0.008 0.000 0.782 324 E HN 0.838 nan 8.360 nan 0.000 0.491 325 E N 0.129 120.275 120.200 -0.091 0.000 2.065 325 E HA 0.021 4.350 4.350 -0.036 0.000 0.191 325 E C 0.315 176.527 176.600 -0.647 0.000 0.960 325 E CA 0.468 56.646 56.400 -0.370 0.000 0.824 325 E CB 0.047 29.603 29.700 -0.240 0.000 0.793 325 E HN 0.004 nan 8.360 nan 0.000 0.459 326 F N 0.018 119.926 119.950 -0.070 0.000 2.679 326 F HA 0.551 5.056 4.527 -0.037 0.000 0.341 326 F C -0.300 175.275 175.800 -0.374 0.000 1.095 326 F CA -1.238 56.599 58.000 -0.270 0.000 1.004 326 F CB 1.571 40.321 39.000 -0.418 0.000 1.388 326 F HN 0.034 nan 8.300 nan 0.000 0.505 327 C N 0.098 119.058 119.300 -0.567 0.000 2.707 327 C HA 0.757 5.195 4.460 -0.036 0.000 0.313 327 C C -1.599 172.930 174.990 -0.768 0.000 1.209 327 C CA -1.064 57.581 59.018 -0.622 0.000 1.635 327 C CB 1.334 28.478 27.740 -0.994 0.000 2.206 327 C HN 0.587 nan 8.230 nan 0.000 0.485 328 Y N 1.468 121.657 120.300 -0.185 0.000 2.396 328 Y HA 0.615 5.143 4.550 -0.036 0.000 0.332 328 Y C -0.314 175.629 175.900 0.072 0.000 1.034 328 Y CA -0.822 57.265 58.100 -0.022 0.000 1.057 328 Y CB 0.721 39.180 38.460 -0.001 0.000 1.220 328 Y HN 0.360 nan 8.280 nan 0.000 0.440 329 L N 5.084 126.475 121.223 0.280 0.000 2.272 329 L HA 0.588 4.907 4.340 -0.036 0.000 0.289 329 L C -0.706 176.068 176.870 -0.162 0.000 1.032 329 L CA -0.613 54.291 54.840 0.107 0.000 0.810 329 L CB 1.055 43.282 42.059 0.281 0.000 1.205 329 L HN 0.501 nan 8.230 nan 0.000 0.422 330 L N 3.639 124.579 121.223 -0.471 0.000 2.325 330 L HA 0.631 4.949 4.340 -0.036 0.000 0.278 330 L C -0.909 175.384 176.870 -0.961 0.000 1.023 330 L CA -0.361 54.184 54.840 -0.493 0.000 0.811 330 L CB 1.450 43.369 42.059 -0.233 0.000 1.249 330 L HN 0.360 nan 8.230 nan 0.000 0.431 331 F N 0.335 120.091 119.950 -0.323 0.000 2.613 331 F HA 0.501 5.006 4.527 -0.036 0.000 0.310 331 F C -0.291 175.251 175.800 -0.430 0.000 1.085 331 F CA -0.735 57.015 58.000 -0.418 0.000 0.945 331 F CB 2.093 40.657 39.000 -0.727 0.000 1.298 331 F HN 0.362 nan 8.300 nan 0.000 0.455 332 E N 1.709 121.913 120.200 0.008 0.000 2.260 332 E HA 0.640 4.968 4.350 -0.036 0.000 0.266 332 E C -1.893 174.760 176.600 0.087 0.000 0.887 332 E CA -0.392 56.027 56.400 0.032 0.000 0.777 332 E CB 1.447 31.179 29.700 0.053 0.000 1.205 332 E HN 0.756 nan 8.360 nan 0.000 0.414 333 C N 3.225 122.589 119.300 0.106 0.000 2.614 333 C HA 0.300 4.738 4.460 -0.036 0.000 0.320 333 C C 1.227 176.285 174.990 0.114 0.000 1.200 333 C CA -0.556 58.531 59.018 0.115 0.000 1.700 333 C CB 1.726 29.557 27.740 0.151 0.000 2.275 333 C HN 0.865 nan 8.230 nan 0.000 0.492 334 Q N 0.537 120.397 119.800 0.100 0.000 2.311 334 Q HA 0.111 4.429 4.340 -0.036 0.000 0.203 334 Q C -0.029 176.032 176.000 0.102 0.000 0.954 334 Q CA 0.836 56.691 55.803 0.087 0.000 0.885 334 Q CB 0.180 28.958 28.738 0.066 0.000 0.963 334 Q HN 0.564 nan 8.270 nan 0.000 0.471 335 I N 1.342 121.997 120.570 0.142 0.000 2.328 335 I HA 0.117 4.265 4.170 -0.036 0.000 0.287 335 I C 0.636 176.869 176.117 0.194 0.000 1.012 335 I CA -0.009 61.397 61.300 0.177 0.000 1.195 335 I CB 1.452 39.592 38.000 0.233 0.000 1.350 335 I HN 0.026 nan 8.210 nan 0.000 0.464 336 K N 3.597 124.078 120.400 0.136 0.000 2.262 336 K HA 0.100 4.398 4.320 -0.036 0.000 0.200 336 K C 0.448 177.109 176.600 0.101 0.000 1.049 336 K CA 0.604 56.948 56.287 0.094 0.000 0.979 336 K CB 0.666 33.212 32.500 0.076 0.000 0.773 336 K HN 0.566 nan 8.250 nan 0.000 0.474 337 E N 0.644 120.931 120.200 0.144 0.000 2.321 337 E HA 0.314 4.642 4.350 -0.036 0.000 0.281 337 E C -1.814 174.884 176.600 0.163 0.000 0.910 337 E CA -0.412 56.083 56.400 0.159 0.000 0.770 337 E CB 1.599 31.358 29.700 0.099 0.000 1.225 337 E HN -0.000 nan 8.360 nan 0.000 0.417 338 I N 2.495 123.183 120.570 0.196 0.000 2.910 338 I HA 0.428 4.576 4.170 -0.036 0.000 0.310 338 I C 0.165 176.334 176.117 0.088 0.000 1.043 338 I CA -0.585 60.778 61.300 0.105 0.000 1.053 338 I CB 1.816 39.828 38.000 0.020 0.000 1.242 338 I HN 0.757 nan 8.210 nan 0.000 0.452 339 S N 4.317 120.049 115.700 0.053 0.000 2.587 339 S HA 0.134 4.582 4.470 -0.036 0.000 0.260 339 S C 0.872 175.519 174.600 0.079 0.000 1.353 339 S CA -0.197 58.033 58.200 0.051 0.000 0.995 339 S CB 1.130 64.342 63.200 0.022 0.000 0.912 339 S HN 0.785 nan 8.310 nan 0.000 0.568 340 R N 0.195 120.742 120.500 0.079 0.000 2.075 340 R HA 0.100 4.419 4.340 -0.036 0.000 0.226 340 R C 0.767 177.167 176.300 0.168 0.000 1.114 340 R CA 1.007 57.173 56.100 0.111 0.000 0.972 340 R CB -0.633 29.725 30.300 0.096 0.000 0.869 340 R HN 0.753 nan 8.270 nan 0.000 0.437 341 V N -0.335 119.639 119.914 0.100 0.000 2.834 341 V HA 0.532 4.630 4.120 -0.036 0.000 0.301 341 V C -0.380 175.857 176.094 0.238 0.000 1.066 341 V CA -0.730 61.621 62.300 0.084 0.000 1.052 341 V CB 0.905 32.618 31.823 -0.185 0.000 1.021 341 V HN 0.245 nan 8.190 nan 0.000 0.480 342 F N 1.387 121.420 119.950 0.139 0.000 2.741 342 F HA 0.840 5.346 4.527 -0.036 0.000 0.313 342 F C -0.672 175.306 175.800 0.297 0.000 1.153 342 F CA -1.566 56.531 58.000 0.162 0.000 0.931 342 F CB 1.595 40.639 39.000 0.073 0.000 1.335 342 F HN 0.757 nan 8.300 nan 0.000 0.460 343 R N 1.691 122.422 120.500 0.386 0.000 2.393 343 R HA 0.686 5.005 4.340 -0.036 0.000 0.310 343 R C -1.156 175.398 176.300 0.424 0.000 0.968 343 R CA -0.926 55.349 56.100 0.292 0.000 0.867 343 R CB 2.302 32.757 30.300 0.259 0.000 1.124 343 R HN 0.918 nan 8.270 nan 0.000 0.450 344 R N 3.502 124.198 120.500 0.326 0.000 2.445 344 R HA 0.279 4.597 4.340 -0.036 0.000 0.308 344 R C -0.411 176.030 176.300 0.235 0.000 0.961 344 R CA -0.669 55.635 56.100 0.340 0.000 0.862 344 R CB 1.585 32.043 30.300 0.264 0.000 1.144 344 R HN 0.748 nan 8.270 nan 0.000 0.447 345 M N 3.508 123.095 119.600 -0.022 0.000 2.239 345 M HA 0.230 4.688 4.480 -0.036 0.000 0.348 345 M C -0.140 175.750 176.300 -0.683 0.000 1.239 345 M CA 0.514 55.327 55.300 -0.812 0.000 1.114 345 M CB 0.820 32.953 32.600 -0.778 0.000 1.641 345 M HN 0.852 nan 8.290 nan 0.000 0.453 346 G N 4.565 112.719 108.800 -1.076 0.000 2.820 346 G HA2 0.732 4.670 3.960 -0.036 0.000 0.291 346 G HA3 0.732 4.670 3.960 -0.036 0.000 0.291 346 G C -2.988 171.414 174.900 -0.828 0.000 1.323 346 G CA -1.138 43.199 45.100 -1.272 0.000 1.055 346 G HN 0.520 nan 8.290 nan 0.000 0.520 347 P HA 0.133 nan 4.420 nan 0.000 0.274 347 P C -0.683 176.493 177.300 -0.207 0.000 1.256 347 P CA -0.170 62.725 63.100 -0.342 0.000 0.795 347 P CB 0.955 32.507 31.700 -0.247 0.000 1.038 348 Q N 0.032 119.734 119.800 -0.163 0.000 2.373 348 Q HA 0.088 4.406 4.340 -0.036 0.000 0.255 348 Q C 1.201 177.176 176.000 -0.041 0.000 0.980 348 Q CA -0.145 55.581 55.803 -0.127 0.000 0.882 348 Q CB 0.162 28.772 28.738 -0.213 0.000 1.249 348 Q HN 0.484 nan 8.270 nan 0.000 0.438 349 F N 1.224 121.210 119.950 0.060 0.000 2.236 349 F HA -0.227 4.278 4.527 -0.036 0.000 0.302 349 F C 1.294 177.163 175.800 0.116 0.000 1.073 349 F CA 1.180 59.283 58.000 0.172 0.000 1.336 349 F CB -0.283 38.752 39.000 0.058 0.000 1.040 349 F HN 0.488 nan 8.300 nan 0.000 0.507 350 E N 1.216 120.915 120.200 -0.835 0.000 2.035 350 E HA -0.240 4.089 4.350 -0.036 0.000 0.204 350 E C 0.471 176.961 176.600 -0.183 0.000 1.025 350 E CA 1.775 57.821 56.400 -0.592 0.000 0.835 350 E CB -1.247 28.112 29.700 -0.569 0.000 0.764 350 E HN 0.678 nan 8.360 nan 0.000 0.457 351 D N 1.296 121.613 120.400 -0.139 0.000 2.365 351 D HA -0.014 4.604 4.640 -0.036 0.000 0.237 351 D C 0.871 177.152 176.300 -0.032 0.000 1.190 351 D CA -0.089 53.867 54.000 -0.072 0.000 0.867 351 D CB 0.859 41.612 40.800 -0.079 0.000 1.050 351 D HN 0.303 nan 8.370 nan 0.000 0.491 352 E N 3.069 123.266 120.200 -0.005 0.000 2.204 352 E HA -0.304 4.025 4.350 -0.036 0.000 0.195 352 E C 1.778 178.361 176.600 -0.028 0.000 0.990 352 E CA 0.423 56.824 56.400 0.002 0.000 0.821 352 E CB -0.115 29.597 29.700 0.021 0.000 0.750 352 E HN 0.442 nan 8.360 nan 0.000 0.477 353 R N 1.509 121.991 120.500 -0.029 0.000 2.097 353 R HA -0.200 4.118 4.340 -0.036 0.000 0.236 353 R C 1.753 178.029 176.300 -0.040 0.000 1.135 353 R CA 2.535 58.615 56.100 -0.033 0.000 0.934 353 R CB -0.395 29.886 30.300 -0.030 0.000 0.846 353 R HN 0.273 nan 8.270 nan 0.000 0.431 354 N N -0.862 117.810 118.700 -0.047 0.000 2.270 354 N HA -0.075 4.643 4.740 -0.036 0.000 0.181 354 N C 1.589 177.067 175.510 -0.053 0.000 1.016 354 N CA 0.955 53.977 53.050 -0.047 0.000 0.870 354 N CB 0.197 38.644 38.487 -0.067 0.000 0.979 354 N HN 0.007 nan 8.380 nan 0.000 0.431 355 V N 1.425 121.285 119.914 -0.089 0.000 2.343 355 V HA -0.237 3.861 4.120 -0.036 0.000 0.247 355 V C 2.265 178.249 176.094 -0.184 0.000 1.051 355 V CA 1.521 63.708 62.300 -0.189 0.000 1.036 355 V CB -0.398 31.308 31.823 -0.196 0.000 0.654 355 V HN 0.279 nan 8.190 nan 0.000 0.451 356 K N 0.211 120.537 120.400 -0.122 0.000 2.009 356 K HA -0.221 4.078 4.320 -0.036 0.000 0.210 356 K C 2.269 178.817 176.600 -0.088 0.000 1.049 356 K CA 1.711 57.932 56.287 -0.109 0.000 0.929 356 K CB -0.142 32.317 32.500 -0.068 0.000 0.714 356 K HN 0.378 nan 8.250 nan 0.000 0.440 357 K N -0.389 119.981 120.400 -0.049 0.000 2.097 357 K HA -0.167 4.131 4.320 -0.036 0.000 0.206 357 K C 1.999 178.581 176.600 -0.029 0.000 1.049 357 K CA 1.395 57.661 56.287 -0.035 0.000 0.933 357 K CB -0.237 32.255 32.500 -0.012 0.000 0.717 357 K HN 0.151 nan 8.250 nan 0.000 0.442 358 F N 1.438 121.287 119.950 -0.170 0.000 2.293 358 F HA -0.086 4.419 4.527 -0.036 0.000 0.300 358 F C 1.524 177.200 175.800 -0.206 0.000 1.086 358 F CA 1.131 59.022 58.000 -0.182 0.000 1.375 358 F CB 0.124 38.992 39.000 -0.219 0.000 1.045 358 F HN -0.101 nan 8.300 nan 0.000 0.516 359 L N -0.574 120.505 121.223 -0.240 0.000 2.477 359 L HA 0.003 4.321 4.340 -0.036 0.000 0.220 359 L C 2.339 179.073 176.870 -0.227 0.000 1.106 359 L CA 0.836 55.491 54.840 -0.309 0.000 0.851 359 L CB -0.680 41.179 42.059 -0.332 0.000 0.994 359 L HN 0.185 nan 8.230 nan 0.000 0.462 360 S N -1.028 114.565 115.700 -0.177 0.000 2.515 360 S HA -0.041 4.407 4.470 -0.036 0.000 0.231 360 S C 1.243 175.763 174.600 -0.134 0.000 0.987 360 S CA 0.053 58.176 58.200 -0.128 0.000 0.936 360 S CB -0.216 62.927 63.200 -0.094 0.000 0.766 360 S HN 0.201 nan 8.310 nan 0.000 0.528 361 R N 4.162 124.549 120.500 -0.188 0.000 2.421 361 R HA 0.075 4.393 4.340 -0.036 0.000 0.305 361 R C -0.370 175.841 176.300 -0.148 0.000 1.039 361 R CA 0.005 55.998 56.100 -0.179 0.000 1.003 361 R CB -0.015 30.126 30.300 -0.265 0.000 0.959 361 R HN 0.611 nan 8.270 nan 0.000 0.427 362 N N 3.966 122.604 118.700 -0.103 0.000 2.417 362 N HA -0.048 4.670 4.740 -0.036 0.000 0.272 362 N C -0.188 175.271 175.510 -0.086 0.000 1.304 362 N CA 0.254 53.255 53.050 -0.082 0.000 0.906 362 N CB 0.657 39.107 38.487 -0.062 0.000 1.135 362 N HN 0.353 nan 8.380 nan 0.000 0.483 363 R N 1.049 121.499 120.500 -0.083 0.000 2.725 363 R HA 0.532 4.850 4.340 -0.036 0.000 0.277 363 R C 0.356 176.609 176.300 -0.078 0.000 0.987 363 R CA -0.585 55.474 56.100 -0.069 0.000 0.901 363 R CB 1.357 31.617 30.300 -0.067 0.000 1.207 363 R HN 0.518 nan 8.270 nan 0.000 0.463 364 A N 2.628 125.382 122.820 -0.110 0.000 2.014 364 A HA 0.057 4.355 4.320 -0.036 0.000 0.218 364 A C 0.723 178.011 177.584 -0.493 0.000 1.163 364 A CA 0.985 52.828 52.037 -0.324 0.000 0.652 364 A CB -0.160 18.573 19.000 -0.444 0.000 0.808 364 A HN 0.630 nan 8.150 nan 0.000 0.449 365 F N -2.035 117.968 119.950 0.089 0.000 2.746 365 F HA 0.374 4.879 4.527 -0.036 0.000 0.320 365 F C 0.478 176.406 175.800 0.213 0.000 1.097 365 F CA -0.083 58.011 58.000 0.156 0.000 1.195 365 F CB 0.730 39.868 39.000 0.231 0.000 1.056 365 F HN 0.118 nan 8.300 nan 0.000 0.562 366 R N 1.994 122.666 120.500 0.287 0.000 1.654 366 R HA -0.120 4.198 4.340 -0.036 0.000 0.396 366 R C -3.073 173.454 176.300 0.378 0.000 1.258 366 R CA -0.423 55.838 56.100 0.268 0.000 1.036 366 R CB -1.690 28.760 30.300 0.250 0.000 3.126 366 R HN 0.097 nan 8.270 nan 0.000 0.490 367 P HA 0.268 nan 4.420 nan 0.000 0.271 367 P C -0.346 177.306 177.300 0.586 0.000 1.233 367 P CA 0.031 63.373 63.100 0.404 0.000 0.789 367 P CB 0.236 32.161 31.700 0.375 0.000 0.951 368 F N -1.612 118.530 119.950 0.321 0.000 2.675 368 F HA 0.694 5.199 4.527 -0.037 0.000 0.324 368 F C -0.740 174.985 175.800 -0.126 0.000 1.106 368 F CA -1.725 56.336 58.000 0.102 0.000 0.970 368 F CB 0.601 39.606 39.000 0.010 0.000 1.385 368 F HN 0.029 nan 8.300 nan 0.000 0.489 369 I N 1.206 121.613 120.570 -0.271 0.000 2.359 369 I HA 0.442 4.590 4.170 -0.036 0.000 0.294 369 I C -0.839 175.255 176.117 -0.040 0.000 0.987 369 I CA -0.424 60.598 61.300 -0.464 0.000 1.225 369 I CB 1.770 39.369 38.000 -0.668 0.000 1.366 369 I HN 0.772 nan 8.210 nan 0.000 0.466 370 E N 6.772 126.999 120.200 0.045 0.000 2.307 370 E HA 0.198 4.527 4.350 -0.036 0.000 0.280 370 E C -0.969 175.724 176.600 0.155 0.000 0.900 370 E CA -0.545 55.920 56.400 0.110 0.000 0.790 370 E CB 0.937 30.683 29.700 0.078 0.000 1.261 370 E HN 0.629 nan 8.360 nan 0.000 0.405 371 N N 3.187 121.933 118.700 0.076 0.000 2.738 371 N HA -0.224 4.495 4.740 -0.036 0.000 0.249 371 N C 0.561 176.137 175.510 0.110 0.000 1.047 371 N CA 1.645 54.749 53.050 0.090 0.000 0.707 371 N CB -1.169 37.387 38.487 0.114 0.000 0.937 371 N HN 1.039 nan 8.380 nan 0.000 0.545 372 G N -0.730 108.124 108.800 0.090 0.000 2.179 372 G HA2 -0.358 3.581 3.960 -0.036 0.000 0.260 372 G HA3 -0.358 3.581 3.960 -0.036 0.000 0.260 372 G C 0.081 175.102 174.900 0.202 0.000 0.977 372 G CA 0.959 46.193 45.100 0.224 0.000 0.641 372 G HN 0.885 nan 8.290 nan 0.000 0.533 373 R N -1.679 118.839 120.500 0.030 0.000 2.836 373 R HA 0.651 4.969 4.340 -0.036 0.000 0.269 373 R C -0.815 175.311 176.300 -0.290 0.000 1.010 373 R CA -1.348 54.681 56.100 -0.118 0.000 0.930 373 R CB 0.868 31.032 30.300 -0.226 0.000 1.218 373 R HN 0.099 nan 8.270 nan 0.000 0.473 374 W N 0.375 121.447 121.300 -0.380 0.000 2.237 374 W HA 0.394 5.032 4.660 -0.036 0.000 0.335 374 W C -0.650 175.413 176.519 -0.760 0.000 1.230 374 W CA 0.351 57.446 57.345 -0.415 0.000 1.253 374 W CB 0.785 30.026 29.460 -0.364 0.000 1.129 374 W HN 0.426 nan 8.180 nan 0.000 0.590 375 W N 1.034 122.135 121.300 -0.332 0.000 3.107 375 W HA 0.664 5.302 4.660 -0.037 0.000 0.331 375 W C -0.689 175.622 176.519 -0.348 0.000 1.204 375 W CA -1.079 55.969 57.345 -0.495 0.000 1.184 375 W CB 1.345 30.200 29.460 -1.008 0.000 1.421 375 W HN 0.425 nan 8.180 nan 0.000 0.544 376 A N 1.992 124.907 122.820 0.159 0.000 2.414 376 A HA 0.840 5.138 4.320 -0.036 0.000 0.306 376 A C -1.691 175.893 177.584 -0.000 0.000 1.054 376 A CA -0.773 51.315 52.037 0.084 0.000 0.724 376 A CB 0.749 19.793 19.000 0.072 0.000 1.267 376 A HN 0.529 nan 8.150 nan 0.000 0.418 377 F N 0.846 120.919 119.950 0.205 0.000 2.412 377 F HA 0.524 5.030 4.527 -0.037 0.000 0.348 377 F C 0.804 176.542 175.800 -0.103 0.000 1.102 377 F CA 0.353 58.382 58.000 0.048 0.000 1.196 377 F CB 1.346 40.387 39.000 0.068 0.000 1.144 377 F HN 0.707 nan 8.300 nan 0.000 0.541 378 E N 1.965 122.007 120.200 -0.263 0.000 2.392 378 E HA 0.510 4.838 4.350 -0.036 0.000 0.269 378 E C -1.176 175.214 176.600 -0.350 0.000 0.924 378 E CA -0.792 55.332 56.400 -0.460 0.000 0.784 378 E CB 1.404 30.528 29.700 -0.959 0.000 1.292 378 E HN 0.296 nan 8.360 nan 0.000 0.447 379 M N 1.728 121.322 119.600 -0.010 0.000 2.336 379 M HA 0.478 4.936 4.480 -0.036 0.000 0.342 379 M C -0.242 176.237 176.300 0.299 0.000 1.128 379 M CA -0.429 54.974 55.300 0.170 0.000 1.016 379 M CB 1.410 34.090 32.600 0.133 0.000 1.665 379 M HN 0.417 nan 8.290 nan 0.000 0.445 380 R N 1.325 121.980 120.500 0.258 0.000 2.531 380 R HA 0.275 4.593 4.340 -0.036 0.000 0.273 380 R C 0.800 177.025 176.300 -0.124 0.000 1.070 380 R CA -0.665 55.435 56.100 -0.000 0.000 1.112 380 R CB 1.135 31.349 30.300 -0.144 0.000 1.049 380 R HN 0.410 nan 8.270 nan 0.000 0.508 381 K N 1.613 121.799 120.400 -0.357 0.000 2.459 381 K HA 0.082 4.380 4.320 -0.036 0.000 0.193 381 K C 0.046 176.603 176.600 -0.073 0.000 1.030 381 K CA 0.664 56.839 56.287 -0.187 0.000 1.026 381 K CB -0.023 32.410 32.500 -0.111 0.000 0.809 381 K HN 0.388 nan 8.250 nan 0.000 0.504 382 F N -2.525 117.510 119.950 0.142 0.000 2.668 382 F HA 0.366 4.871 4.527 -0.036 0.000 0.309 382 F C 0.428 176.335 175.800 0.177 0.000 1.117 382 F CA -1.237 56.852 58.000 0.148 0.000 0.951 382 F CB 0.762 39.863 39.000 0.168 0.000 1.323 382 F HN -0.179 nan 8.300 nan 0.000 0.451 383 T N -2.876 111.949 114.554 0.451 0.000 3.058 383 T HA 0.358 4.687 4.350 -0.036 0.000 0.278 383 T C 0.164 175.116 174.700 0.419 0.000 0.974 383 T CA 0.558 62.887 62.100 0.381 0.000 0.893 383 T CB -0.417 68.577 68.868 0.210 0.000 1.138 383 T HN 1.083 nan 8.240 nan 0.000 0.529 384 T N -1.254 113.466 114.554 0.277 0.000 2.916 384 T HA 0.606 4.934 4.350 -0.036 0.000 0.292 384 T C -2.546 171.726 174.700 -0.714 0.000 1.055 384 T CA -1.875 60.184 62.100 -0.069 0.000 1.009 384 T CB 2.198 71.000 68.868 -0.111 0.000 1.118 384 T HN -0.323 nan 8.240 nan 0.000 0.497 385 P HA -0.017 nan 4.420 nan 0.000 0.216 385 P C 1.129 177.847 177.300 -0.970 0.000 1.153 385 P CA 1.042 63.228 63.100 -1.524 0.000 0.848 385 P CB 0.110 31.313 31.700 -0.828 0.000 0.787 386 E N 0.067 119.698 120.200 -0.947 0.000 2.058 386 E HA -0.197 4.131 4.350 -0.036 0.000 0.194 386 E C 1.976 178.299 176.600 -0.461 0.000 0.997 386 E CA 1.276 57.171 56.400 -0.841 0.000 0.801 386 E CB -0.787 28.530 29.700 -0.638 0.000 0.746 386 E HN 0.405 nan 8.360 nan 0.000 0.450 387 E N -0.048 119.950 120.200 -0.336 0.000 2.153 387 E HA -0.146 4.182 4.350 -0.036 0.000 0.194 387 E C 2.184 178.595 176.600 -0.315 0.000 0.988 387 E CA 0.906 57.199 56.400 -0.180 0.000 0.811 387 E CB -0.259 29.439 29.700 -0.004 0.000 0.746 387 E HN 0.383 nan 8.360 nan 0.000 0.466 388 G N 1.098 109.553 108.800 -0.575 0.000 2.414 388 G HA2 -0.228 3.710 3.960 -0.036 0.000 0.215 388 G HA3 -0.228 3.710 3.960 -0.036 0.000 0.215 388 G C 1.763 176.423 174.900 -0.399 0.000 1.188 388 G CA 0.698 45.292 45.100 -0.842 0.000 0.783 388 G HN 0.124 nan 8.290 nan 0.000 0.537 389 V N 1.066 120.800 119.914 -0.300 0.000 2.343 389 V HA -0.157 3.941 4.120 -0.036 0.000 0.247 389 V C 2.798 178.792 176.094 -0.166 0.000 1.051 389 V CA 2.003 64.146 62.300 -0.263 0.000 1.036 389 V CB -0.483 31.233 31.823 -0.178 0.000 0.654 389 V HN 0.398 nan 8.190 nan 0.000 0.451 390 R N -0.026 120.427 120.500 -0.077 0.000 2.127 390 R HA -0.188 4.130 4.340 -0.036 0.000 0.238 390 R C 2.536 178.905 176.300 0.115 0.000 1.134 390 R CA 1.968 58.152 56.100 0.141 0.000 0.975 390 R CB -0.341 30.001 30.300 0.070 0.000 0.865 390 R HN 0.522 nan 8.270 nan 0.000 0.447 391 S N -0.449 115.238 115.700 -0.022 0.000 2.345 391 S HA -0.182 4.266 4.470 -0.036 0.000 0.219 391 S C 1.854 176.434 174.600 -0.033 0.000 1.031 391 S CA 0.989 59.206 58.200 0.028 0.000 0.984 391 S CB -0.534 62.717 63.200 0.084 0.000 0.874 391 S HN 0.550 nan 8.310 nan 0.000 0.451 392 Y N 2.188 122.229 120.300 -0.431 0.000 2.128 392 Y HA -0.039 4.489 4.550 -0.036 0.000 0.284 392 Y C 2.478 178.169 175.900 -0.349 0.000 1.154 392 Y CA 1.574 59.287 58.100 -0.644 0.000 1.149 392 Y CB -1.011 36.549 38.460 -1.501 0.000 0.976 392 Y HN 0.327 nan 8.280 nan 0.000 0.505 393 A N -0.792 121.825 122.820 -0.338 0.000 1.940 393 A HA -0.188 4.110 4.320 -0.036 0.000 0.219 393 A C 2.378 179.826 177.584 -0.228 0.000 1.176 393 A CA 2.085 53.835 52.037 -0.479 0.000 0.631 393 A CB -1.128 17.306 19.000 -0.943 0.000 0.814 393 A HN 0.500 nan 8.150 nan 0.000 0.446 394 S N -1.535 114.205 115.700 0.067 0.000 2.453 394 S HA -0.080 4.368 4.470 -0.036 0.000 0.231 394 S C 1.953 176.701 174.600 0.246 0.000 1.005 394 S CA 1.620 59.989 58.200 0.281 0.000 0.949 394 S CB -0.198 63.169 63.200 0.279 0.000 0.774 394 S HN 0.765 nan 8.310 nan 0.000 0.510 395 T N -0.225 114.398 114.554 0.114 0.000 3.023 395 T HA 0.079 4.407 4.350 -0.036 0.000 0.249 395 T C 0.445 175.041 174.700 -0.174 0.000 1.050 395 T CA 0.215 62.361 62.100 0.076 0.000 1.088 395 T CB -0.064 68.874 68.868 0.117 0.000 0.946 395 T HN 0.353 nan 8.240 nan 0.000 0.480 396 H N 1.166 119.934 119.070 -0.502 0.000 2.472 396 H HA 0.312 4.846 4.556 -0.036 0.000 0.287 396 H C 1.342 176.298 175.328 -0.621 0.000 1.112 396 H CA -0.936 54.704 56.048 -0.681 0.000 1.021 396 H CB -0.451 28.683 29.762 -1.047 0.000 1.635 396 H HN 0.518 nan 8.280 nan 0.000 0.559 397 W N -0.506 120.663 121.300 -0.220 0.000 2.342 397 W HA -0.194 4.444 4.660 -0.036 0.000 0.297 397 W C 1.322 177.755 176.519 -0.144 0.000 1.213 397 W CA 0.881 58.100 57.345 -0.211 0.000 1.251 397 W CB -0.775 28.594 29.460 -0.151 0.000 1.136 397 W HN 0.406 nan 8.180 nan 0.000 0.526 398 H N 0.756 119.061 119.070 -1.275 0.000 2.545 398 H HA -0.077 4.457 4.556 -0.036 0.000 0.282 398 H C 1.230 176.300 175.328 -0.429 0.000 1.020 398 H CA 1.740 57.196 56.048 -0.988 0.000 1.243 398 H CB 0.025 28.925 29.762 -1.435 0.000 1.377 398 H HN 0.098 nan 8.280 nan 0.000 0.581 399 T N 0.203 114.543 114.554 -0.356 0.000 3.069 399 T HA 0.175 4.503 4.350 -0.036 0.000 0.252 399 T C 1.197 175.805 174.700 -0.154 0.000 1.053 399 T CA -0.314 61.660 62.100 -0.210 0.000 0.964 399 T CB -0.076 68.741 68.868 -0.086 0.000 1.005 399 T HN 0.252 nan 8.240 nan 0.000 0.532 400 L N 1.972 123.093 121.223 -0.171 0.000 3.001 400 L HA 0.463 4.781 4.340 -0.036 0.000 0.234 400 L C 0.914 177.703 176.870 -0.134 0.000 1.321 400 L CA -0.495 54.271 54.840 -0.122 0.000 1.138 400 L CB -0.717 41.254 42.059 -0.146 0.000 1.503 400 L HN 0.300 nan 8.230 nan 0.000 0.487 401 G N 0.653 109.363 108.800 -0.150 0.000 2.879 401 G HA2 -0.245 3.693 3.960 -0.036 0.000 0.686 401 G HA3 -0.245 3.693 3.960 -0.036 0.000 0.686 401 G C 0.293 175.111 174.900 -0.137 0.000 1.115 401 G CA -0.090 44.930 45.100 -0.133 0.000 0.770 401 G HN 0.325 nan 8.290 nan 0.000 0.601 402 K N 1.324 121.649 120.400 -0.125 0.000 2.015 402 K HA -0.177 4.121 4.320 -0.036 0.000 0.220 402 K C 2.257 178.844 176.600 -0.023 0.000 1.055 402 K CA 2.885 59.119 56.287 -0.087 0.000 0.951 402 K CB -0.298 32.173 32.500 -0.048 0.000 0.725 402 K HN 0.559 nan 8.250 nan 0.000 0.449 403 N N -0.489 118.201 118.700 -0.016 0.000 2.251 403 N HA -0.075 4.643 4.740 -0.036 0.000 0.181 403 N C 1.859 177.379 175.510 0.017 0.000 1.019 403 N CA 1.292 54.348 53.050 0.010 0.000 0.862 403 N CB -0.170 38.324 38.487 0.011 0.000 0.992 403 N HN 0.015 nan 8.380 nan 0.000 0.429 404 V N 1.498 121.410 119.914 -0.003 0.000 2.407 404 V HA -0.146 3.952 4.120 -0.036 0.000 0.248 404 V C 2.471 178.476 176.094 -0.148 0.000 1.055 404 V CA 2.072 64.362 62.300 -0.017 0.000 1.049 404 V CB -1.098 30.704 31.823 -0.034 0.000 0.662 404 V HN 0.343 nan 8.190 nan 0.000 0.455 405 G N -0.597 108.153 108.800 -0.084 0.000 2.404 405 G HA2 -0.223 3.715 3.960 -0.036 0.000 0.215 405 G HA3 -0.223 3.715 3.960 -0.036 0.000 0.215 405 G C 1.432 176.411 174.900 0.131 0.000 1.174 405 G CA 0.782 45.885 45.100 0.005 0.000 0.780 405 G HN 0.556 nan 8.290 nan 0.000 0.537 406 E N 0.223 120.493 120.200 0.117 0.000 2.160 406 E HA -0.116 4.212 4.350 -0.036 0.000 0.195 406 E C 2.636 179.204 176.600 -0.053 0.000 0.991 406 E CA 1.044 57.461 56.400 0.027 0.000 0.810 406 E CB -0.088 29.639 29.700 0.044 0.000 0.742 406 E HN 0.414 nan 8.360 nan 0.000 0.466 407 S N 0.451 116.148 115.700 -0.005 0.000 2.371 407 S HA -0.080 4.368 4.470 -0.036 0.000 0.224 407 S C 1.953 176.569 174.600 0.026 0.000 1.029 407 S CA 0.614 58.848 58.200 0.056 0.000 0.978 407 S CB -0.094 63.220 63.200 0.190 0.000 0.833 407 S HN 0.180 nan 8.310 nan 0.000 0.466 408 I N 1.393 121.882 120.570 -0.135 0.000 2.361 408 I HA -0.144 4.004 4.170 -0.036 0.000 0.251 408 I C 2.786 178.903 176.117 -0.001 0.000 1.133 408 I CA 1.081 62.287 61.300 -0.157 0.000 1.413 408 I CB -0.348 37.380 38.000 -0.452 0.000 1.073 408 I HN 0.334 nan 8.210 nan 0.000 0.424 409 R N 1.690 122.099 120.500 -0.152 0.000 2.081 409 R HA -0.211 4.107 4.340 -0.036 0.000 0.235 409 R C 2.035 178.186 176.300 -0.247 0.000 1.131 409 R CA 1.989 57.826 56.100 -0.438 0.000 0.960 409 R CB -0.142 29.496 30.300 -1.103 0.000 0.856 409 R HN 0.570 nan 8.270 nan 0.000 0.436 410 E N -1.674 118.451 120.200 -0.125 0.000 2.435 410 E HA -0.111 4.217 4.350 -0.036 0.000 0.195 410 E C -0.388 176.296 176.600 0.139 0.000 1.029 410 E CA 0.210 56.595 56.400 -0.025 0.000 0.865 410 E CB 0.117 29.811 29.700 -0.012 0.000 0.833 410 E HN 0.401 nan 8.360 nan 0.000 0.510 411 Y N -0.229 120.092 120.300 0.035 0.000 2.469 411 Y HA 0.349 4.877 4.550 -0.036 0.000 0.335 411 Y C -2.185 173.853 175.900 0.231 0.000 1.313 411 Y CA -1.482 56.655 58.100 0.062 0.000 1.324 411 Y CB 0.593 39.084 38.460 0.052 0.000 1.321 411 Y HN 0.062 nan 8.280 nan 0.000 0.477 412 F N 3.625 123.007 119.950 -0.947 0.000 2.746 412 F HA 0.719 5.224 4.527 -0.036 0.000 0.311 412 F C -2.217 173.281 175.800 -0.503 0.000 1.135 412 F CA -0.537 56.959 58.000 -0.840 0.000 0.954 412 F CB 1.239 40.040 39.000 -0.331 0.000 1.276 412 F HN 0.605 nan 8.300 nan 0.000 0.440 413 E N 2.838 122.924 120.200 -0.189 0.000 2.408 413 E HA 0.691 5.019 4.350 -0.036 0.000 0.275 413 E C -1.811 174.884 176.600 0.158 0.000 0.935 413 E CA -1.145 55.195 56.400 -0.100 0.000 0.775 413 E CB 3.159 32.836 29.700 -0.038 0.000 1.277 413 E HN 0.723 nan 8.360 nan 0.000 0.455 414 I N 2.472 123.115 120.570 0.121 0.000 2.328 414 I HA 0.270 4.418 4.170 -0.036 0.000 0.287 414 I C -0.512 175.665 176.117 0.099 0.000 1.012 414 I CA -0.954 60.441 61.300 0.160 0.000 1.195 414 I CB 0.765 38.818 38.000 0.088 0.000 1.350 414 I HN 0.415 nan 8.210 nan 0.000 0.464 415 I N 4.963 125.619 120.570 0.144 0.000 2.385 415 I HA 0.426 4.574 4.170 -0.036 0.000 0.294 415 I C 0.383 176.557 176.117 0.095 0.000 0.988 415 I CA 0.164 61.517 61.300 0.088 0.000 1.265 415 I CB 1.476 39.530 38.000 0.090 0.000 1.388 415 I HN 0.524 nan 8.210 nan 0.000 0.480 416 S N 2.728 118.431 115.700 0.007 0.000 2.903 416 S HA 0.806 5.255 4.470 -0.036 0.000 0.314 416 S C 0.335 174.828 174.600 -0.178 0.000 1.177 416 S CA 0.237 58.421 58.200 -0.026 0.000 0.859 416 S CB 1.149 64.353 63.200 0.007 0.000 1.265 416 S HN 1.128 nan 8.310 nan 0.000 0.584 417 G N 1.888 110.560 108.800 -0.213 0.000 2.568 417 G HA2 -0.286 3.652 3.960 -0.036 0.000 0.334 417 G HA3 -0.286 3.652 3.960 -0.036 0.000 0.334 417 G C 0.561 175.113 174.900 -0.581 0.000 1.348 417 G CA 0.990 45.909 45.100 -0.302 0.000 0.949 417 G HN 0.782 nan 8.290 nan 0.000 0.532 418 E N 0.320 120.350 120.200 -0.283 0.000 2.085 418 E HA -0.125 4.204 4.350 -0.036 0.000 0.194 418 E C 2.400 178.905 176.600 -0.160 0.000 0.994 418 E CA 1.481 57.786 56.400 -0.158 0.000 0.801 418 E CB -0.283 29.422 29.700 0.009 0.000 0.743 418 E HN 0.647 nan 8.360 nan 0.000 0.453 419 K N 0.401 120.720 120.400 -0.135 0.000 2.519 419 K HA -0.097 4.201 4.320 -0.036 0.000 0.196 419 K C 1.971 178.515 176.600 -0.093 0.000 1.041 419 K CA 0.286 56.526 56.287 -0.078 0.000 0.954 419 K CB -0.023 32.446 32.500 -0.051 0.000 0.774 419 K HN 0.024 nan 8.250 nan 0.000 0.480 420 L N -0.620 120.468 121.223 -0.226 0.000 2.253 420 L HA 0.090 4.408 4.340 -0.036 0.000 0.205 420 L C 1.481 178.312 176.870 -0.066 0.000 1.078 420 L CA 1.133 55.866 54.840 -0.178 0.000 0.805 420 L CB -0.146 41.748 42.059 -0.275 0.000 0.963 420 L HN 0.028 nan 8.230 nan 0.000 0.459 421 F N -0.232 119.727 119.950 0.014 0.000 2.583 421 F HA -0.120 4.385 4.527 -0.036 0.000 0.297 421 F C 2.089 177.883 175.800 -0.010 0.000 1.131 421 F CA 0.348 58.347 58.000 -0.003 0.000 1.467 421 F CB -0.226 38.776 39.000 0.004 0.000 1.097 421 F HN 0.087 nan 8.300 nan 0.000 0.586 422 K N -0.028 120.450 120.400 0.131 0.000 2.137 422 K HA -0.029 4.269 4.320 -0.036 0.000 0.202 422 K C 0.846 177.473 176.600 0.046 0.000 1.052 422 K CA 0.277 56.611 56.287 0.078 0.000 0.961 422 K CB 0.080 32.610 32.500 0.051 0.000 0.741 422 K HN 0.025 nan 8.250 nan 0.000 0.452 423 E N 1.023 121.239 120.200 0.028 0.000 2.425 423 E HA -0.029 4.299 4.350 -0.036 0.000 0.258 423 E C -2.215 174.326 176.600 -0.099 0.000 1.151 423 E CA -1.486 54.900 56.400 -0.022 0.000 0.958 423 E CB -0.130 29.550 29.700 -0.032 0.000 0.968 423 E HN -0.034 nan 8.360 nan 0.000 0.451 424 P HA 0.003 nan 4.420 nan 0.000 0.237 424 P C 0.372 177.512 177.300 -0.267 0.000 1.723 424 P CA 0.313 63.316 63.100 -0.162 0.000 0.882 424 P CB -0.211 31.437 31.700 -0.086 0.000 1.810 425 V N -4.557 115.209 119.914 -0.247 0.000 3.330 425 V HA 0.050 4.149 4.120 -0.036 0.000 0.309 425 V C 1.783 177.819 176.094 -0.096 0.000 1.481 425 V CA 0.555 62.721 62.300 -0.223 0.000 1.068 425 V CB -0.663 30.973 31.823 -0.311 0.000 0.935 425 V HN 0.180 nan 8.190 nan 0.000 0.453 426 T N -0.559 113.963 114.554 -0.053 0.000 2.684 426 T HA -0.177 4.151 4.350 -0.036 0.000 0.267 426 T C 2.039 176.709 174.700 -0.049 0.000 1.036 426 T CA 2.246 64.329 62.100 -0.030 0.000 1.148 426 T CB -0.694 68.156 68.868 -0.030 0.000 0.863 426 T HN 0.960 nan 8.240 nan 0.000 0.436 427 A N 2.111 124.899 122.820 -0.053 0.000 1.865 427 A HA -0.142 4.156 4.320 -0.036 0.000 0.217 427 A C 2.319 179.865 177.584 -0.063 0.000 1.191 427 A CA 2.058 54.064 52.037 -0.051 0.000 0.623 427 A CB -0.946 18.029 19.000 -0.042 0.000 0.826 427 A HN 0.544 nan 8.150 nan 0.000 0.444 428 E N 0.096 120.251 120.200 -0.075 0.000 2.085 428 E HA -0.137 4.191 4.350 -0.036 0.000 0.194 428 E C 1.937 178.486 176.600 -0.086 0.000 0.994 428 E CA 1.126 57.470 56.400 -0.093 0.000 0.801 428 E CB -0.396 29.237 29.700 -0.112 0.000 0.743 428 E HN 0.655 nan 8.360 nan 0.000 0.453 429 L N -0.342 120.843 121.223 -0.064 0.000 2.027 429 L HA -0.203 4.115 4.340 -0.036 0.000 0.206 429 L C 2.363 179.207 176.870 -0.045 0.000 1.074 429 L CA 0.931 55.747 54.840 -0.041 0.000 0.745 429 L CB -0.452 41.612 42.059 0.009 0.000 0.898 429 L HN 0.269 nan 8.230 nan 0.000 0.433 430 C N -0.203 119.065 119.300 -0.053 0.000 2.413 430 C HA -0.170 4.268 4.460 -0.036 0.000 0.276 430 C C 2.788 177.745 174.990 -0.055 0.000 1.248 430 C CA 1.018 60.002 59.018 -0.056 0.000 1.742 430 C CB -0.635 27.069 27.740 -0.060 0.000 2.017 430 C HN 0.529 nan 8.230 nan 0.000 0.481 431 E N 0.752 120.914 120.200 -0.063 0.000 2.072 431 E HA -0.188 4.140 4.350 -0.036 0.000 0.191 431 E C 2.114 178.673 176.600 -0.068 0.000 0.985 431 E CA 1.246 57.605 56.400 -0.068 0.000 0.801 431 E CB -0.481 29.172 29.700 -0.079 0.000 0.750 431 E HN 0.604 nan 8.360 nan 0.000 0.452 432 M N -0.718 118.839 119.600 -0.071 0.000 2.229 432 M HA -0.082 4.376 4.480 -0.036 0.000 0.264 432 M C 1.510 177.787 176.300 -0.039 0.000 1.063 432 M CA 1.386 56.646 55.300 -0.067 0.000 1.114 432 M CB 0.072 32.626 32.600 -0.077 0.000 1.387 432 M HN 0.186 nan 8.290 nan 0.000 0.420 433 M N -1.017 118.564 119.600 -0.031 0.000 2.502 433 M HA 0.193 4.652 4.480 -0.036 0.000 0.243 433 M C 1.063 177.351 176.300 -0.021 0.000 1.130 433 M CA 0.666 55.956 55.300 -0.016 0.000 1.055 433 M CB 0.236 32.829 32.600 -0.011 0.000 1.457 433 M HN 0.528 nan 8.290 nan 0.000 0.488 434 G N 1.587 110.367 108.800 -0.033 0.000 2.176 434 G HA2 -0.202 3.736 3.960 -0.036 0.000 0.252 434 G HA3 -0.202 3.736 3.960 -0.036 0.000 0.252 434 G C -0.011 174.868 174.900 -0.034 0.000 1.024 434 G CA -0.246 44.833 45.100 -0.034 0.000 0.755 434 G HN 0.328 nan 8.290 nan 0.000 0.507 435 V N 1.635 121.526 119.914 -0.037 0.000 2.529 435 V HA 0.272 4.370 4.120 -0.036 0.000 0.292 435 V C 1.204 177.275 176.094 -0.040 0.000 1.028 435 V CA 0.780 63.058 62.300 -0.038 0.000 1.074 435 V CB 0.675 32.471 31.823 -0.046 0.000 0.958 435 V HN 0.651 nan 8.190 nan 0.000 0.481 436 K N 3.599 123.979 120.400 -0.034 0.000 2.090 436 K HA 0.794 5.092 4.320 -0.036 0.000 0.249 436 K C -0.818 175.764 176.600 -0.030 0.000 0.995 436 K CA -0.721 55.545 56.287 -0.036 0.000 0.914 436 K CB 1.351 33.833 32.500 -0.030 0.000 1.057 436 K HN 0.590 nan 8.250 nan 0.000 0.462 437 D N 0.000 120.382 120.400 -0.030 0.000 6.856 437 D HA 0.000 4.618 4.640 -0.036 0.000 0.175 437 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 437 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683