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 2v5i_1_A DATA FIRST_RESID 156 DATA SEQUENCE AAFRQEANKK FKYSVKLSDY STLQDAVTDA VDGLLIDINY NFTDGESVDF DATA SEQUENCE ?GKILTINCK AKFIGDGALI FNNMGPGSVI NQPFMESKTT PWVIFPWDAD DATA SEQUENCE GKWITDAALV AATLKQSKIE GYQPGVNDWV KFPGLEALLP QNVKDQHIAA DATA SEQUENCE TLDIRSASRV EIRNAGGLMA AYLFRSCHHC KVIDSDSIIG GKDGIITFEN DATA SEQUENCE LSGDWGLGNY VIGGRVHYGS GSGVQFLRNN GGESHNGGVI GVTSWRAGES DATA SEQUENCE GFKTYQGSVG GGTARNYNLQ FRDSVALSPV WDGFDLGSDP GMAPEPDRPG DATA SEQUENCE DLPVSEYPFH QLPNNHLVDN ILVMNSLGVG LGMDGSGGYV SNVTVQDCAG DATA SEQUENCE AGMLAHTYNR VFSNITVIDC NYLNFDSDQI IIIGDCIVNG IRAAGIKPQP DATA SEQUENCE SNGLVISAPN STISGLVGNV PPDKILVGNL LDPVLGQSRV IGFNSDTAEL DATA SEQUENCE ALRINKLSAT LDSGALRSHL NGYAGSGSAW TELTALSGST PNAVSLKVNR DATA SEQUENCE GDYKTTEIPI SGTVLPDEGV LDINTMSLYL DAGALWALIR LPDGSKTRMK DATA SEQUENCE LSV 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 156 A HA 0.000 nan 4.320 nan 0.000 0.244 156 A C 0.000 177.623 177.584 0.064 0.000 1.274 156 A CA 0.000 52.081 52.037 0.073 0.000 0.836 156 A CB 0.000 19.027 19.000 0.046 0.000 0.831 157 A N -0.081 122.787 122.820 0.079 0.000 1.892 157 A HA -0.005 4.297 4.320 -0.029 0.000 0.218 157 A C 1.807 179.451 177.584 0.101 0.000 1.188 157 A CA 2.046 54.128 52.037 0.075 0.000 0.631 157 A CB -0.767 18.283 19.000 0.083 0.000 0.822 157 A HN 1.115 nan 8.150 nan 0.000 0.447 158 F N 0.584 120.541 119.950 0.012 0.000 2.171 158 F HA -0.131 4.378 4.527 -0.029 0.000 0.300 158 F C 2.352 178.167 175.800 0.025 0.000 1.090 158 F CA 1.735 59.746 58.000 0.018 0.000 1.293 158 F CB -0.325 38.694 39.000 0.031 0.000 1.013 158 F HN 0.269 nan 8.300 nan 0.000 0.486 159 R N 0.618 121.104 120.500 -0.023 0.000 2.080 159 R HA -0.256 4.067 4.340 -0.029 0.000 0.236 159 R C 2.366 178.578 176.300 -0.146 0.000 1.137 159 R CA 2.249 58.296 56.100 -0.088 0.000 0.943 159 R CB -0.622 29.684 30.300 0.010 0.000 0.846 159 R HN 0.597 nan 8.270 nan 0.000 0.431 160 Q N -0.078 119.666 119.800 -0.094 0.000 2.119 160 Q HA -0.209 4.114 4.340 -0.029 0.000 0.201 160 Q C 1.930 177.838 176.000 -0.154 0.000 0.972 160 Q CA 1.719 57.471 55.803 -0.086 0.000 0.847 160 Q CB -0.360 28.354 28.738 -0.041 0.000 0.903 160 Q HN 0.533 nan 8.270 nan 0.000 0.433 161 E N 1.012 121.083 120.200 -0.214 0.000 2.051 161 E HA -0.217 4.115 4.350 -0.029 0.000 0.192 161 E C 2.003 178.321 176.600 -0.470 0.000 0.991 161 E CA 1.234 57.469 56.400 -0.275 0.000 0.799 161 E CB -0.191 29.390 29.700 -0.198 0.000 0.748 161 E HN 0.488 nan 8.360 nan 0.000 0.449 162 A N 1.304 123.697 122.820 -0.712 0.000 1.877 162 A HA -0.198 4.104 4.320 -0.029 0.000 0.216 162 A C 1.940 179.322 177.584 -0.337 0.000 1.186 162 A CA 1.621 53.239 52.037 -0.698 0.000 0.620 162 A CB -0.680 17.942 19.000 -0.631 0.000 0.822 162 A HN 0.276 nan 8.150 nan 0.000 0.443 163 N N -0.292 118.298 118.700 -0.183 0.000 2.272 163 N HA -0.146 4.577 4.740 -0.029 0.000 0.185 163 N C 1.537 177.085 175.510 0.063 0.000 1.014 163 N CA 1.561 54.617 53.050 0.009 0.000 0.870 163 N CB -0.272 38.258 38.487 0.070 0.000 0.975 163 N HN 0.667 nan 8.380 nan 0.000 0.433 164 K N 0.901 121.255 120.400 -0.076 0.000 2.314 164 K HA 0.019 4.321 4.320 -0.029 0.000 0.198 164 K C 1.482 178.015 176.600 -0.111 0.000 1.045 164 K CA 0.654 56.903 56.287 -0.063 0.000 0.988 164 K CB 0.292 32.737 32.500 -0.091 0.000 0.783 164 K HN 0.227 nan 8.250 nan 0.000 0.484 165 K N -1.127 119.104 120.400 -0.283 0.000 2.380 165 K HA 0.122 4.424 4.320 -0.029 0.000 0.198 165 K C -0.483 175.930 176.600 -0.312 0.000 1.070 165 K CA -0.284 55.788 56.287 -0.358 0.000 1.040 165 K CB 0.423 32.605 32.500 -0.531 0.000 0.903 165 K HN -0.168 nan 8.250 nan 0.000 0.549 166 F N 2.565 122.504 119.950 -0.019 0.000 2.480 166 F HA 0.405 4.915 4.527 -0.029 0.000 0.329 166 F C 0.230 176.036 175.800 0.010 0.000 1.091 166 F CA -1.631 56.347 58.000 -0.036 0.000 0.972 166 F CB 1.613 40.546 39.000 -0.112 0.000 1.150 166 F HN -0.196 nan 8.300 nan 0.000 0.467 167 K N 1.549 122.099 120.400 0.249 0.000 2.401 167 K HA 0.156 4.459 4.320 -0.029 0.000 0.278 167 K C -1.441 175.261 176.600 0.170 0.000 1.018 167 K CA 0.016 56.432 56.287 0.215 0.000 0.981 167 K CB 0.297 32.885 32.500 0.147 0.000 0.933 167 K HN 0.463 nan 8.250 nan 0.000 0.477 168 Y N 2.005 122.348 120.300 0.071 0.000 2.336 168 Y HA 0.300 4.832 4.550 -0.029 0.000 0.335 168 Y C 0.355 176.283 175.900 0.048 0.000 1.046 168 Y CA 0.021 58.156 58.100 0.058 0.000 1.198 168 Y CB 1.675 40.163 38.460 0.047 0.000 1.182 168 Y HN 0.523 nan 8.280 nan 0.000 0.502 169 S N 2.821 118.599 115.700 0.130 0.000 2.535 169 S HA 0.707 5.160 4.470 -0.029 0.000 0.272 169 S C -1.334 173.319 174.600 0.088 0.000 1.149 169 S CA -0.763 57.499 58.200 0.103 0.000 0.888 169 S CB 0.533 63.776 63.200 0.071 0.000 1.110 169 S HN 0.625 nan 8.310 nan 0.000 0.463 170 V N 2.077 122.049 119.914 0.097 0.000 2.850 170 V HA 0.884 4.986 4.120 -0.029 0.000 0.315 170 V C -0.791 175.381 176.094 0.130 0.000 1.064 170 V CA -0.841 61.541 62.300 0.136 0.000 0.979 170 V CB 1.521 33.434 31.823 0.149 0.000 1.039 170 V HN 1.026 nan 8.190 nan 0.000 0.452 171 K N 2.518 123.039 120.400 0.202 0.000 2.371 171 K HA 0.549 4.851 4.320 -0.029 0.000 0.251 171 K C 0.107 176.854 176.600 0.244 0.000 0.934 171 K CA -0.825 55.555 56.287 0.156 0.000 0.798 171 K CB 2.257 34.812 32.500 0.092 0.000 1.204 171 K HN 0.540 nan 8.250 nan 0.000 0.427 172 L N 2.704 124.027 121.223 0.166 0.000 2.127 172 L HA -0.179 4.144 4.340 -0.029 0.000 0.211 172 L C 2.114 179.123 176.870 0.230 0.000 1.089 172 L CA 2.485 57.439 54.840 0.190 0.000 0.757 172 L CB -0.638 41.478 42.059 0.097 0.000 0.899 172 L HN 0.947 nan 8.230 nan 0.000 0.434 173 S N -2.063 113.723 115.700 0.145 0.000 2.469 173 S HA -0.134 4.318 4.470 -0.029 0.000 0.238 173 S C 1.432 176.048 174.600 0.028 0.000 0.998 173 S CA 1.032 59.285 58.200 0.089 0.000 0.957 173 S CB -0.631 62.599 63.200 0.051 0.000 0.764 173 S HN 0.514 nan 8.310 nan 0.000 0.514 174 D N 0.199 120.586 120.400 -0.023 0.000 2.340 174 D HA 0.231 4.853 4.640 -0.029 0.000 0.220 174 D C -0.404 175.516 176.300 -0.634 0.000 1.039 174 D CA 0.406 54.215 54.000 -0.319 0.000 0.866 174 D CB 0.096 40.627 40.800 -0.449 0.000 0.913 174 D HN 0.510 nan 8.370 nan 0.000 0.523 175 Y N -0.853 119.461 120.300 0.024 0.000 2.665 175 Y HA 0.263 4.795 4.550 -0.029 0.000 0.336 175 Y C 1.628 177.562 175.900 0.057 0.000 1.085 175 Y CA -1.005 57.111 58.100 0.027 0.000 1.096 175 Y CB 0.892 39.356 38.460 0.006 0.000 1.301 175 Y HN -0.297 nan 8.280 nan 0.000 0.493 176 S N -0.799 115.042 115.700 0.235 0.000 2.289 176 S HA 0.058 4.510 4.470 -0.029 0.000 0.193 176 S C 0.766 175.527 174.600 0.270 0.000 1.002 176 S CA 0.558 58.879 58.200 0.201 0.000 0.951 176 S CB -0.994 62.291 63.200 0.143 0.000 0.920 176 S HN 0.753 nan 8.310 nan 0.000 0.502 177 T N 0.200 114.887 114.554 0.221 0.000 2.828 177 T HA 0.398 4.730 4.350 -0.029 0.000 0.290 177 T C 1.032 175.750 174.700 0.031 0.000 1.019 177 T CA -0.410 61.834 62.100 0.240 0.000 1.031 177 T CB 0.588 69.556 68.868 0.167 0.000 1.001 177 T HN 0.196 nan 8.240 nan 0.000 0.531 178 L N 0.741 121.854 121.223 -0.184 0.000 2.046 178 L HA 0.011 4.333 4.340 -0.029 0.000 0.208 178 L C 2.771 179.452 176.870 -0.315 0.000 1.077 178 L CA 1.908 56.503 54.840 -0.409 0.000 0.747 178 L CB -1.374 40.318 42.059 -0.611 0.000 0.896 178 L HN 0.923 nan 8.230 nan 0.000 0.432 179 Q N -0.180 119.491 119.800 -0.214 0.000 2.096 179 Q HA -0.243 4.079 4.340 -0.029 0.000 0.204 179 Q C 1.849 177.700 176.000 -0.247 0.000 0.982 179 Q CA 2.289 57.946 55.803 -0.243 0.000 0.850 179 Q CB -0.401 28.256 28.738 -0.136 0.000 0.901 179 Q HN 0.569 nan 8.270 nan 0.000 0.422 180 D N -0.383 119.920 120.400 -0.161 0.000 2.123 180 D HA -0.151 4.471 4.640 -0.029 0.000 0.196 180 D C 1.634 177.660 176.300 -0.457 0.000 0.992 180 D CA 1.587 55.498 54.000 -0.147 0.000 0.833 180 D CB -0.441 40.392 40.800 0.055 0.000 0.954 180 D HN 0.426 nan 8.370 nan 0.000 0.455 181 A N 0.526 122.945 122.820 -0.668 0.000 1.877 181 A HA -0.128 4.175 4.320 -0.029 0.000 0.216 181 A C 2.548 179.740 177.584 -0.652 0.000 1.186 181 A CA 1.217 52.582 52.037 -1.120 0.000 0.620 181 A CB -0.766 17.826 19.000 -0.680 0.000 0.822 181 A HN 0.146 nan 8.150 nan 0.000 0.443 182 V N -0.171 119.434 119.914 -0.516 0.000 2.407 182 V HA -0.231 3.872 4.120 -0.029 0.000 0.248 182 V C 2.732 178.596 176.094 -0.383 0.000 1.055 182 V CA 2.448 64.440 62.300 -0.512 0.000 1.049 182 V CB -1.231 30.081 31.823 -0.852 0.000 0.662 182 V HN 0.612 nan 8.190 nan 0.000 0.455 183 T N -0.380 113.975 114.554 -0.332 0.000 2.720 183 T HA -0.208 4.124 4.350 -0.029 0.000 0.268 183 T C 1.548 176.158 174.700 -0.150 0.000 1.037 183 T CA 1.844 63.820 62.100 -0.207 0.000 1.144 183 T CB -0.342 68.433 68.868 -0.154 0.000 0.864 183 T HN 0.446 nan 8.240 nan 0.000 0.444 184 D N 0.916 121.206 120.400 -0.184 0.000 2.347 184 D HA 0.264 4.887 4.640 -0.029 0.000 0.213 184 D C 0.782 177.053 176.300 -0.048 0.000 0.985 184 D CA 0.092 54.045 54.000 -0.078 0.000 0.879 184 D CB -0.190 40.609 40.800 -0.002 0.000 0.919 184 D HN 0.406 nan 8.370 nan 0.000 0.526 185 A N -0.039 122.718 122.820 -0.105 0.000 2.445 185 A HA 0.298 4.600 4.320 -0.029 0.000 0.242 185 A C 1.146 178.727 177.584 -0.004 0.000 1.075 185 A CA -0.161 51.852 52.037 -0.040 0.000 0.777 185 A CB 0.828 19.784 19.000 -0.074 0.000 1.013 185 A HN 0.027 nan 8.150 nan 0.000 0.493 186 V N 0.677 120.613 119.914 0.037 0.000 3.137 186 V HA 0.106 4.208 4.120 -0.029 0.000 0.236 186 V C 1.216 177.316 176.094 0.010 0.000 1.260 186 V CA 1.393 63.696 62.300 0.006 0.000 1.244 186 V CB 0.207 32.010 31.823 -0.033 0.000 1.016 186 V HN 0.992 nan 8.190 nan 0.000 0.477 187 D N -0.299 120.136 120.400 0.058 0.000 3.018 187 D HA 0.225 4.847 4.640 -0.029 0.000 0.198 187 D C 0.898 177.246 176.300 0.080 0.000 1.474 187 D CA 1.114 55.153 54.000 0.064 0.000 1.429 187 D CB 0.670 41.521 40.800 0.084 0.000 1.289 187 D HN 0.300 nan 8.370 nan 0.000 0.310 188 G N 0.546 109.406 108.800 0.099 0.000 2.441 188 G HA2 0.576 4.518 3.960 -0.029 0.000 0.334 188 G HA3 0.576 4.518 3.960 -0.029 0.000 0.334 188 G C -1.528 173.418 174.900 0.077 0.000 1.161 188 G CA -0.335 44.817 45.100 0.087 0.000 0.935 188 G HN 0.242 nan 8.290 nan 0.000 0.488 189 L N 1.208 122.475 121.223 0.073 0.000 2.439 189 L HA 0.657 4.980 4.340 -0.029 0.000 0.270 189 L C -1.440 175.473 176.870 0.072 0.000 0.972 189 L CA -0.917 53.958 54.840 0.059 0.000 0.836 189 L CB 1.970 44.059 42.059 0.049 0.000 1.255 189 L HN 0.452 nan 8.230 nan 0.000 0.404 190 L N 6.292 127.553 121.223 0.065 0.000 2.272 190 L HA 0.583 4.905 4.340 -0.029 0.000 0.289 190 L C -0.842 176.061 176.870 0.056 0.000 1.032 190 L CA -0.197 54.678 54.840 0.059 0.000 0.810 190 L CB 1.077 43.166 42.059 0.050 0.000 1.205 190 L HN 0.481 nan 8.230 nan 0.000 0.422 191 I N 5.901 126.496 120.570 0.043 0.000 2.256 191 I HA 0.175 4.327 4.170 -0.029 0.000 0.294 191 I C 0.472 176.584 176.117 -0.008 0.000 1.127 191 I CA -0.062 61.243 61.300 0.009 0.000 1.247 191 I CB 0.120 38.076 38.000 -0.073 0.000 1.460 191 I HN 0.686 nan 8.210 nan 0.000 0.511 192 D N 5.825 126.236 120.400 0.020 0.000 2.379 192 D HA 0.072 4.695 4.640 -0.029 0.000 0.208 192 D C 0.458 176.766 176.300 0.014 0.000 1.065 192 D CA 0.214 54.223 54.000 0.015 0.000 0.848 192 D CB 0.636 41.451 40.800 0.025 0.000 0.949 192 D HN 0.525 nan 8.370 nan 0.000 0.509 193 I N -2.928 117.661 120.570 0.031 0.000 2.769 193 I HA 0.473 4.625 4.170 -0.029 0.000 0.298 193 I C -0.835 175.319 176.117 0.063 0.000 1.128 193 I CA -1.210 60.117 61.300 0.045 0.000 1.031 193 I CB 1.716 39.759 38.000 0.072 0.000 1.235 193 I HN -0.412 nan 8.210 nan 0.000 0.423 194 N N 2.593 121.326 118.700 0.055 0.000 2.395 194 N HA 0.087 4.809 4.740 -0.029 0.000 0.246 194 N C -1.397 174.240 175.510 0.211 0.000 1.246 194 N CA 0.437 53.539 53.050 0.086 0.000 0.879 194 N CB 0.275 38.795 38.487 0.055 0.000 1.098 194 N HN 0.675 nan 8.380 nan 0.000 0.444 195 Y N 1.410 121.796 120.300 0.144 0.000 2.326 195 Y HA 0.293 4.825 4.550 -0.029 0.000 0.329 195 Y C -0.788 175.306 175.900 0.323 0.000 0.973 195 Y CA -0.885 57.371 58.100 0.259 0.000 1.162 195 Y CB 0.740 39.447 38.460 0.413 0.000 1.147 195 Y HN 0.411 nan 8.280 nan 0.000 0.456 196 N N 7.786 126.351 118.700 -0.224 0.000 2.437 196 N HA 0.169 4.891 4.740 -0.029 0.000 0.243 196 N C -0.987 174.310 175.510 -0.357 0.000 1.041 196 N CA -0.042 52.880 53.050 -0.212 0.000 0.940 196 N CB 0.696 39.072 38.487 -0.184 0.000 1.133 196 N HN 0.526 nan 8.380 nan 0.000 0.506 197 F N -0.189 119.674 119.950 -0.144 0.000 2.440 197 F HA 0.603 5.113 4.527 -0.029 0.000 0.328 197 F C 0.768 176.546 175.800 -0.036 0.000 1.070 197 F CA -1.049 56.913 58.000 -0.063 0.000 1.011 197 F CB 0.400 39.481 39.000 0.135 0.000 1.226 197 F HN 0.120 nan 8.300 nan 0.000 0.491 198 T N -1.016 113.618 114.554 0.133 0.000 2.929 198 T HA 0.252 4.585 4.350 -0.029 0.000 0.284 198 T C -0.601 174.216 174.700 0.194 0.000 1.014 198 T CA -0.835 61.294 62.100 0.049 0.000 1.051 198 T CB 1.273 70.169 68.868 0.048 0.000 1.028 198 T HN 0.752 nan 8.240 nan 0.000 0.485 199 D N 0.646 121.106 120.400 0.100 0.000 2.487 199 D HA 0.320 4.943 4.640 -0.029 0.000 0.243 199 D C 1.582 177.956 176.300 0.124 0.000 1.154 199 D CA 1.727 55.812 54.000 0.142 0.000 0.876 199 D CB -0.322 40.525 40.800 0.077 0.000 1.161 199 D HN 1.102 nan 8.370 nan 0.000 0.478 200 G N 3.265 112.139 108.800 0.123 0.000 2.176 200 G HA2 -0.313 3.630 3.960 -0.029 0.000 0.253 200 G HA3 -0.313 3.630 3.960 -0.029 0.000 0.253 200 G C 0.341 175.287 174.900 0.077 0.000 0.979 200 G CA 0.288 45.432 45.100 0.073 0.000 0.641 200 G HN 0.693 nan 8.290 nan 0.000 0.530 201 E N 1.047 121.321 120.200 0.123 0.000 2.480 201 E HA 0.426 4.758 4.350 -0.029 0.000 0.258 201 E C -0.034 176.610 176.600 0.073 0.000 0.984 201 E CA 0.389 56.861 56.400 0.121 0.000 0.930 201 E CB 0.175 30.001 29.700 0.211 0.000 0.936 201 E HN 0.214 nan 8.360 nan 0.000 0.466 202 S N 3.127 118.865 115.700 0.063 0.000 2.473 202 S HA 0.459 4.911 4.470 -0.029 0.000 0.307 202 S C -1.039 173.582 174.600 0.036 0.000 1.094 202 S CA -0.843 57.391 58.200 0.057 0.000 1.070 202 S CB 1.837 65.062 63.200 0.042 0.000 1.019 202 S HN 0.374 nan 8.310 nan 0.000 0.480 203 V N 2.651 122.595 119.914 0.051 0.000 2.487 203 V HA 0.412 4.514 4.120 -0.029 0.000 0.298 203 V C -0.789 175.267 176.094 -0.063 0.000 1.028 203 V CA -0.808 61.437 62.300 -0.092 0.000 0.860 203 V CB 1.919 33.602 31.823 -0.233 0.000 0.991 203 V HN 0.838 nan 8.190 nan 0.000 0.427 204 D N 3.030 123.340 120.400 -0.150 0.000 2.329 204 D HA 0.376 4.999 4.640 -0.029 0.000 0.232 204 D C 0.108 176.299 176.300 -0.182 0.000 1.088 204 D CA -0.374 53.592 54.000 -0.057 0.000 0.835 204 D CB 1.174 41.946 40.800 -0.047 0.000 1.078 204 D HN 0.331 nan 8.370 nan 0.000 0.495 208 K N -0.092 120.352 120.400 0.074 0.000 2.295 208 K HA 0.484 4.786 4.320 -0.029 0.000 0.270 208 K C 0.507 177.146 176.600 0.066 0.000 1.011 208 K CA -0.261 56.063 56.287 0.061 0.000 0.953 208 K CB 0.937 33.474 32.500 0.060 0.000 0.956 208 K HN 0.241 nan 8.250 nan 0.000 0.477 209 I N 5.099 125.695 120.570 0.043 0.000 2.282 209 I HA 0.141 4.293 4.170 -0.029 0.000 0.290 209 I C -0.329 175.815 176.117 0.045 0.000 1.090 209 I CA -0.232 61.089 61.300 0.035 0.000 1.231 209 I CB 0.066 38.081 38.000 0.024 0.000 1.434 209 I HN 0.269 nan 8.210 nan 0.000 0.487 210 L N 5.084 126.342 121.223 0.058 0.000 2.334 210 L HA 0.520 4.843 4.340 -0.029 0.000 0.272 210 L C 0.123 177.034 176.870 0.068 0.000 1.020 210 L CA -0.599 54.287 54.840 0.077 0.000 0.812 210 L CB 1.890 44.030 42.059 0.136 0.000 1.264 210 L HN 0.371 nan 8.230 nan 0.000 0.439 211 T N 3.418 118.017 114.554 0.075 0.000 2.753 211 T HA 0.517 4.850 4.350 -0.029 0.000 0.297 211 T C -0.042 174.715 174.700 0.094 0.000 0.981 211 T CA -0.201 61.946 62.100 0.078 0.000 0.956 211 T CB 0.360 69.269 68.868 0.069 0.000 0.936 211 T HN 0.253 nan 8.240 nan 0.000 0.463 212 I N 4.126 124.764 120.570 0.114 0.000 2.307 212 I HA 0.309 4.461 4.170 -0.029 0.000 0.289 212 I C 0.003 176.197 176.117 0.129 0.000 1.021 212 I CA -0.718 60.667 61.300 0.143 0.000 1.224 212 I CB 0.833 38.959 38.000 0.211 0.000 1.376 212 I HN 0.538 nan 8.210 nan 0.000 0.470 213 N N 5.806 124.568 118.700 0.104 0.000 2.457 213 N HA 0.350 5.072 4.740 -0.029 0.000 0.250 213 N C -1.099 174.454 175.510 0.072 0.000 0.982 213 N CA -0.504 52.595 53.050 0.082 0.000 0.941 213 N CB 1.094 39.619 38.487 0.063 0.000 1.120 213 N HN 0.502 nan 8.380 nan 0.000 0.505 214 C N 2.137 121.479 119.300 0.070 0.000 2.307 214 C HA 0.315 4.758 4.460 -0.029 0.000 0.340 214 C C 1.037 176.032 174.990 0.008 0.000 1.275 214 C CA -0.697 58.336 59.018 0.026 0.000 1.811 214 C CB -0.051 27.707 27.740 0.029 0.000 2.372 214 C HN 0.728 nan 8.230 nan 0.000 0.531 215 K N 1.635 122.023 120.400 -0.021 0.000 2.792 215 K HA 0.545 4.847 4.320 -0.029 0.000 0.207 215 K C -0.128 176.440 176.600 -0.054 0.000 1.103 215 K CA 0.097 56.369 56.287 -0.025 0.000 1.048 215 K CB 0.707 33.200 32.500 -0.010 0.000 0.777 215 K HN 0.816 nan 8.250 nan 0.000 0.468 216 A N 0.674 123.442 122.820 -0.086 0.000 2.483 216 A HA 0.500 4.802 4.320 -0.029 0.000 0.294 216 A C -1.653 175.841 177.584 -0.150 0.000 1.077 216 A CA -0.944 51.029 52.037 -0.108 0.000 0.633 216 A CB 0.999 19.954 19.000 -0.076 0.000 1.318 216 A HN 0.104 nan 8.150 nan 0.000 0.455 217 K N -0.264 120.072 120.400 -0.107 0.000 2.156 217 K HA 0.676 4.978 4.320 -0.029 0.000 0.250 217 K C -1.708 174.893 176.600 0.000 0.000 0.955 217 K CA -0.284 56.006 56.287 0.005 0.000 0.855 217 K CB 1.286 33.856 32.500 0.117 0.000 1.101 217 K HN 0.382 nan 8.250 nan 0.000 0.434 218 F N 2.385 122.536 119.950 0.335 0.000 2.385 218 F HA 0.393 4.902 4.527 -0.029 0.000 0.360 218 F C 0.114 176.188 175.800 0.457 0.000 1.122 218 F CA -0.690 57.557 58.000 0.411 0.000 1.090 218 F CB 0.461 39.640 39.000 0.299 0.000 1.150 218 F HN 0.163 nan 8.300 nan 0.000 0.472 219 I N 2.866 123.756 120.570 0.533 0.000 2.406 219 I HA 0.831 4.984 4.170 -0.029 0.000 0.290 219 I C 0.272 176.210 176.117 -0.299 0.000 0.999 219 I CA -0.431 60.982 61.300 0.189 0.000 1.124 219 I CB 1.701 39.753 38.000 0.087 0.000 1.289 219 I HN 0.695 nan 8.210 nan 0.000 0.441 220 G N 4.047 112.525 108.800 -0.536 0.000 2.338 220 G HA2 0.246 4.188 3.960 -0.029 0.000 0.295 220 G HA3 0.246 4.188 3.960 -0.029 0.000 0.295 220 G C -2.247 172.336 174.900 -0.529 0.000 1.461 220 G CA -0.748 43.721 45.100 -1.051 0.000 0.817 220 G HN 0.377 nan 8.290 nan 0.000 0.556 221 D N 0.190 120.371 120.400 -0.364 0.000 2.193 221 D HA 0.676 5.298 4.640 -0.029 0.000 0.244 221 D C 0.895 177.178 176.300 -0.029 0.000 1.064 221 D CA 1.430 55.351 54.000 -0.132 0.000 0.845 221 D CB 1.474 42.210 40.800 -0.107 0.000 1.148 221 D HN 1.441 nan 8.370 nan 0.000 0.464 222 G N 0.999 109.850 108.800 0.085 0.000 2.472 222 G HA2 0.266 4.208 3.960 -0.029 0.000 0.205 222 G HA3 0.266 4.208 3.960 -0.029 0.000 0.205 222 G C -0.978 174.059 174.900 0.228 0.000 1.270 222 G CA -0.328 44.858 45.100 0.143 0.000 0.974 222 G HN 0.740 nan 8.290 nan 0.000 0.542 223 A N -0.788 122.129 122.820 0.161 0.000 2.304 223 A HA 0.766 5.068 4.320 -0.029 0.000 0.323 223 A C -0.387 177.149 177.584 -0.080 0.000 1.195 223 A CA -0.208 51.830 52.037 0.002 0.000 0.826 223 A CB 1.494 20.462 19.000 -0.053 0.000 1.184 223 A HN 2.047 nan 8.150 nan 0.000 0.496 224 L N 3.961 124.896 121.223 -0.480 0.000 2.265 224 L HA 0.600 4.922 4.340 -0.029 0.000 0.289 224 L C -0.827 175.773 176.870 -0.450 0.000 1.033 224 L CA -0.124 54.324 54.840 -0.652 0.000 0.814 224 L CB 0.335 41.590 42.059 -1.339 0.000 1.203 224 L HN 0.561 nan 8.230 nan 0.000 0.423 225 I N 5.672 126.144 120.570 -0.164 0.000 2.354 225 I HA 0.308 4.460 4.170 -0.029 0.000 0.292 225 I C -0.932 175.327 176.117 0.237 0.000 0.989 225 I CA -0.358 60.911 61.300 -0.052 0.000 1.188 225 I CB 0.997 38.990 38.000 -0.013 0.000 1.342 225 I HN 0.373 nan 8.210 nan 0.000 0.457 226 F N 4.934 124.834 119.950 -0.084 0.000 2.375 226 F HA 0.434 4.944 4.527 -0.029 0.000 0.361 226 F C 0.249 176.054 175.800 0.008 0.000 1.117 226 F CA -1.242 56.776 58.000 0.030 0.000 1.037 226 F CB 0.710 39.632 39.000 -0.129 0.000 1.192 226 F HN 0.409 nan 8.300 nan 0.000 0.452 227 N N 3.358 122.216 118.700 0.264 0.000 2.417 227 N HA 0.226 4.948 4.740 -0.029 0.000 0.300 227 N C -0.027 175.589 175.510 0.177 0.000 1.102 227 N CA -0.366 52.779 53.050 0.159 0.000 0.886 227 N CB 1.215 39.770 38.487 0.113 0.000 1.203 227 N HN 0.429 nan 8.380 nan 0.000 0.496 228 N N 0.146 118.910 118.700 0.106 0.000 2.735 228 N HA -0.176 4.546 4.740 -0.029 0.000 0.248 228 N C -0.497 175.071 175.510 0.096 0.000 1.083 228 N CA 0.698 53.806 53.050 0.097 0.000 0.703 228 N CB -1.142 37.403 38.487 0.096 0.000 1.005 228 N HN 0.619 nan 8.380 nan 0.000 0.550 229 M N 0.481 120.077 119.600 -0.007 0.000 2.239 229 M HA 0.137 4.600 4.480 -0.029 0.000 0.348 229 M C 1.536 177.828 176.300 -0.012 0.000 1.239 229 M CA 0.457 55.686 55.300 -0.119 0.000 1.114 229 M CB 0.459 32.893 32.600 -0.277 0.000 1.641 229 M HN 0.217 nan 8.290 nan 0.000 0.453 230 G N 3.472 112.275 108.800 0.005 0.000 2.503 230 G HA2 0.413 4.355 3.960 -0.029 0.000 0.257 230 G HA3 0.413 4.355 3.960 -0.029 0.000 0.257 230 G C -2.651 172.265 174.900 0.025 0.000 1.214 230 G CA -1.081 44.034 45.100 0.025 0.000 0.839 230 G HN 0.388 nan 8.290 nan 0.000 0.559 231 P HA 0.210 nan 4.420 nan 0.000 0.271 231 P C 0.803 178.124 177.300 0.036 0.000 1.216 231 P CA 0.988 64.114 63.100 0.043 0.000 0.771 231 P CB 1.254 32.977 31.700 0.039 0.000 0.864 232 G N 1.614 110.441 108.800 0.045 0.000 2.175 232 G HA2 -0.219 3.724 3.960 -0.029 0.000 0.244 232 G HA3 -0.219 3.724 3.960 -0.029 0.000 0.244 232 G C 0.371 175.296 174.900 0.041 0.000 0.982 232 G CA -0.046 45.078 45.100 0.040 0.000 0.641 232 G HN 0.586 nan 8.290 nan 0.000 0.527 233 S N -0.841 114.881 115.700 0.037 0.000 2.576 233 S HA 0.515 4.967 4.470 -0.029 0.000 0.272 233 S C 0.371 175.003 174.600 0.054 0.000 1.352 233 S CA 0.331 58.549 58.200 0.030 0.000 1.021 233 S CB 1.961 65.150 63.200 -0.019 0.000 0.887 233 S HN 0.890 nan 8.310 nan 0.000 0.542 234 V N 2.755 122.705 119.914 0.061 0.000 2.760 234 V HA 0.461 4.563 4.120 -0.029 0.000 0.309 234 V C -0.684 175.469 176.094 0.098 0.000 1.077 234 V CA -0.555 61.793 62.300 0.080 0.000 0.910 234 V CB 1.765 33.630 31.823 0.069 0.000 1.008 234 V HN 0.726 nan 8.190 nan 0.000 0.424 235 I N 3.852 124.494 120.570 0.120 0.000 2.390 235 I HA 0.417 4.569 4.170 -0.029 0.000 0.283 235 I C -0.302 175.892 176.117 0.128 0.000 1.016 235 I CA -0.296 61.096 61.300 0.153 0.000 1.151 235 I CB 1.268 39.389 38.000 0.201 0.000 1.293 235 I HN 0.611 nan 8.210 nan 0.000 0.458 236 N N 6.032 124.802 118.700 0.117 0.000 2.426 236 N HA 0.295 5.017 4.740 -0.029 0.000 0.275 236 N C -0.553 175.017 175.510 0.100 0.000 1.019 236 N CA -0.530 52.575 53.050 0.092 0.000 0.941 236 N CB 0.853 39.385 38.487 0.075 0.000 1.123 236 N HN 0.464 nan 8.380 nan 0.000 0.486 237 Q N -1.244 118.610 119.800 0.090 0.000 2.475 237 Q HA -0.149 4.173 4.340 -0.029 0.000 0.280 237 Q C -2.342 173.750 176.000 0.152 0.000 1.234 237 Q CA 0.021 55.887 55.803 0.105 0.000 0.873 237 Q CB -1.500 27.288 28.738 0.083 0.000 1.256 237 Q HN 0.539 nan 8.270 nan 0.000 0.475 238 P HA 0.127 nan 4.420 nan 0.000 0.269 238 P C -0.767 176.737 177.300 0.340 0.000 1.215 238 P CA 0.204 63.469 63.100 0.276 0.000 0.780 238 P CB 0.443 32.370 31.700 0.378 0.000 0.898 239 F N 2.768 122.817 119.950 0.164 0.000 2.612 239 F HA 0.363 4.873 4.527 -0.029 0.000 0.332 239 F C -0.786 175.132 175.800 0.195 0.000 1.167 239 F CA -0.938 57.161 58.000 0.166 0.000 0.970 239 F CB 1.290 40.335 39.000 0.076 0.000 1.234 239 F HN 0.050 nan 8.300 nan 0.000 0.453 240 M N 4.875 124.478 119.600 0.005 0.000 2.157 240 M HA 0.339 4.802 4.480 -0.029 0.000 0.354 240 M C -0.582 175.719 176.300 0.001 0.000 1.170 240 M CA -0.162 55.172 55.300 0.057 0.000 1.060 240 M CB 1.112 33.593 32.600 -0.198 0.000 1.615 240 M HN 0.688 nan 8.290 nan 0.000 0.460 241 E N 2.049 122.374 120.200 0.208 0.000 2.256 241 E HA 0.442 4.774 4.350 -0.029 0.000 0.268 241 E C -0.748 175.921 176.600 0.116 0.000 0.877 241 E CA -0.458 56.048 56.400 0.177 0.000 0.757 241 E CB 1.606 31.506 29.700 0.333 0.000 1.183 241 E HN 0.740 nan 8.360 nan 0.000 0.418 242 S N 3.303 119.035 115.700 0.054 0.000 2.579 242 S HA 0.055 4.507 4.470 -0.029 0.000 0.275 242 S C 0.978 175.561 174.600 -0.029 0.000 1.345 242 S CA -0.274 57.926 58.200 0.000 0.000 1.031 242 S CB 1.720 64.914 63.200 -0.010 0.000 0.892 242 S HN 0.757 nan 8.310 nan 0.000 0.529 243 K N 1.310 121.657 120.400 -0.089 0.000 2.031 243 K HA -0.007 4.295 4.320 -0.029 0.000 0.205 243 K C 0.381 176.934 176.600 -0.078 0.000 1.049 243 K CA 1.002 57.230 56.287 -0.098 0.000 0.939 243 K CB -0.449 31.959 32.500 -0.154 0.000 0.717 243 K HN 0.736 nan 8.250 nan 0.000 0.438 244 T N 1.032 115.538 114.554 -0.081 0.000 2.910 244 T HA 0.106 4.438 4.350 -0.029 0.000 0.293 244 T C -0.460 174.190 174.700 -0.083 0.000 1.015 244 T CA -0.170 61.880 62.100 -0.082 0.000 1.094 244 T CB 1.533 70.352 68.868 -0.082 0.000 0.968 244 T HN 0.062 nan 8.240 nan 0.000 0.521 245 T N 6.157 120.642 114.554 -0.114 0.000 2.781 245 T HA 0.372 4.704 4.350 -0.029 0.000 0.305 245 T C -2.118 172.460 174.700 -0.203 0.000 1.001 245 T CA -1.110 60.905 62.100 -0.141 0.000 0.950 245 T CB 0.745 69.513 68.868 -0.167 0.000 0.955 245 T HN 0.404 nan 8.240 nan 0.000 0.471 246 P HA 0.251 nan 4.420 nan 0.000 0.276 246 P C -0.736 176.461 177.300 -0.172 0.000 1.252 246 P CA -0.819 62.218 63.100 -0.105 0.000 0.802 246 P CB 0.892 32.591 31.700 -0.001 0.000 1.035 247 W N 0.979 122.275 121.300 -0.005 0.000 2.266 247 W HA 0.369 5.011 4.660 -0.029 0.000 0.317 247 W C 0.345 176.860 176.519 -0.007 0.000 1.310 247 W CA 0.114 57.455 57.345 -0.007 0.000 1.207 247 W CB 0.569 30.029 29.460 0.000 0.000 1.199 247 W HN 0.138 nan 8.180 nan 0.000 0.544 248 V N 3.296 123.328 119.914 0.195 0.000 2.962 248 V HA 0.714 4.816 4.120 -0.029 0.000 0.313 248 V C -0.300 175.822 176.094 0.047 0.000 1.099 248 V CA -1.670 60.679 62.300 0.082 0.000 0.971 248 V CB 1.459 33.307 31.823 0.042 0.000 1.028 248 V HN 0.513 nan 8.190 nan 0.000 0.430 249 I N -0.029 120.475 120.570 -0.111 0.000 2.664 249 I HA 0.742 4.895 4.170 -0.029 0.000 0.308 249 I C -0.848 175.235 176.117 -0.057 0.000 0.984 249 I CA -0.520 60.696 61.300 -0.140 0.000 1.213 249 I CB 1.790 39.617 38.000 -0.288 0.000 1.379 249 I HN 0.661 nan 8.210 nan 0.000 0.501 250 F N 5.376 125.237 119.950 -0.148 0.000 2.872 250 F HA 0.480 4.989 4.527 -0.029 0.000 0.365 250 F C -2.329 173.420 175.800 -0.085 0.000 1.296 250 F CA -1.904 56.121 58.000 0.042 0.000 1.199 250 F CB 1.496 40.569 39.000 0.122 0.000 1.687 250 F HN 0.312 nan 8.300 nan 0.000 0.604 251 P HA 0.038 nan 4.420 nan 0.000 0.254 251 P C -0.927 175.899 177.300 -0.791 0.000 1.631 251 P CA 0.436 63.153 63.100 -0.638 0.000 0.861 251 P CB -0.329 31.003 31.700 -0.615 0.000 1.663 252 W N 1.449 122.624 121.300 -0.208 0.000 2.785 252 W HA 0.190 4.832 4.660 -0.030 0.000 0.333 252 W C 0.257 176.811 176.519 0.059 0.000 1.062 252 W CA -0.517 56.706 57.345 -0.203 0.000 1.233 252 W CB 1.806 30.977 29.460 -0.483 0.000 1.413 252 W HN -0.001 nan 8.180 nan 0.000 0.489 253 D N 0.185 120.739 120.400 0.256 0.000 2.478 253 D HA 0.396 5.018 4.640 -0.029 0.000 0.269 253 D C 1.151 177.593 176.300 0.237 0.000 1.232 253 D CA -0.421 53.717 54.000 0.230 0.000 1.059 253 D CB 0.345 41.234 40.800 0.148 0.000 1.104 253 D HN 0.256 nan 8.370 nan 0.000 0.566 254 A N -0.385 122.540 122.820 0.176 0.000 2.019 254 A HA -0.140 4.163 4.320 -0.029 0.000 0.219 254 A C 1.339 178.997 177.584 0.123 0.000 1.164 254 A CA 1.374 53.499 52.037 0.147 0.000 0.644 254 A CB -0.546 18.514 19.000 0.100 0.000 0.805 254 A HN 0.573 nan 8.150 nan 0.000 0.449 255 D N -1.452 119.013 120.400 0.109 0.000 2.339 255 D HA 0.254 4.876 4.640 -0.029 0.000 0.217 255 D C 1.337 177.688 176.300 0.086 0.000 1.050 255 D CA 0.995 55.045 54.000 0.083 0.000 0.856 255 D CB 0.222 41.062 40.800 0.067 0.000 0.922 255 D HN 0.590 nan 8.370 nan 0.000 0.518 256 G N 1.035 109.904 108.800 0.117 0.000 2.175 256 G HA2 -0.246 3.697 3.960 -0.029 0.000 0.244 256 G HA3 -0.246 3.697 3.960 -0.029 0.000 0.244 256 G C 0.359 175.307 174.900 0.080 0.000 0.982 256 G CA -0.220 44.935 45.100 0.093 0.000 0.641 256 G HN 0.105 nan 8.290 nan 0.000 0.527 257 K N -0.047 120.418 120.400 0.108 0.000 2.237 257 K HA 0.330 4.632 4.320 -0.029 0.000 0.270 257 K C 0.411 177.098 176.600 0.145 0.000 1.015 257 K CA -0.957 55.408 56.287 0.131 0.000 0.949 257 K CB 0.417 33.008 32.500 0.152 0.000 0.976 257 K HN 0.315 nan 8.250 nan 0.000 0.472 258 W N 2.039 123.453 121.300 0.190 0.000 2.193 258 W HA 0.110 4.753 4.660 -0.029 0.000 0.338 258 W C 0.534 177.055 176.519 0.003 0.000 1.310 258 W CA -0.310 57.060 57.345 0.040 0.000 1.243 258 W CB 0.176 29.675 29.460 0.065 0.000 1.165 258 W HN 0.288 nan 8.180 nan 0.000 0.566 259 I N 3.674 124.364 120.570 0.200 0.000 2.321 259 I HA 0.140 4.292 4.170 -0.029 0.000 0.291 259 I C 1.079 177.272 176.117 0.127 0.000 0.998 259 I CA -0.226 61.132 61.300 0.097 0.000 1.227 259 I CB 1.390 39.380 38.000 -0.016 0.000 1.368 259 I HN 0.558 nan 8.210 nan 0.000 0.466 260 T N -0.657 113.981 114.554 0.138 0.000 2.971 260 T HA 0.078 4.410 4.350 -0.029 0.000 0.252 260 T C 0.335 175.148 174.700 0.188 0.000 1.022 260 T CA -0.270 61.964 62.100 0.223 0.000 0.980 260 T CB -0.105 68.821 68.868 0.097 0.000 1.044 260 T HN 0.505 nan 8.240 nan 0.000 0.501 261 D N 1.154 121.599 120.400 0.074 0.000 2.348 261 D HA 0.575 5.197 4.640 -0.029 0.000 0.253 261 D C 1.510 177.821 176.300 0.019 0.000 1.161 261 D CA 0.255 54.283 54.000 0.046 0.000 0.876 261 D CB 1.178 41.988 40.800 0.018 0.000 1.160 261 D HN 0.190 nan 8.370 nan 0.000 0.459 262 A N 4.094 126.945 122.820 0.052 0.000 1.917 262 A HA -0.171 4.131 4.320 -0.029 0.000 0.219 262 A C 2.156 179.723 177.584 -0.028 0.000 1.182 262 A CA 2.046 54.102 52.037 0.031 0.000 0.633 262 A CB -1.022 18.018 19.000 0.067 0.000 0.819 262 A HN 0.718 nan 8.150 nan 0.000 0.448 263 A N -0.602 122.206 122.820 -0.020 0.000 1.930 263 A HA 0.041 4.343 4.320 -0.029 0.000 0.217 263 A C 2.158 179.718 177.584 -0.039 0.000 1.175 263 A CA 1.381 53.400 52.037 -0.030 0.000 0.627 263 A CB -0.509 18.479 19.000 -0.021 0.000 0.815 263 A HN 0.480 nan 8.150 nan 0.000 0.443 264 L N -0.614 120.586 121.223 -0.037 0.000 2.093 264 L HA -0.128 4.195 4.340 -0.029 0.000 0.208 264 L C 2.485 179.311 176.870 -0.074 0.000 1.085 264 L CA 0.853 55.671 54.840 -0.037 0.000 0.755 264 L CB -0.530 41.518 42.059 -0.018 0.000 0.904 264 L HN 0.237 nan 8.230 nan 0.000 0.435 265 V N 0.207 120.033 119.914 -0.146 0.000 2.307 265 V HA -0.269 3.834 4.120 -0.029 0.000 0.245 265 V C 2.791 178.787 176.094 -0.163 0.000 1.045 265 V CA 1.759 63.905 62.300 -0.257 0.000 1.024 265 V CB -0.876 30.608 31.823 -0.566 0.000 0.651 265 V HN 0.470 nan 8.190 nan 0.000 0.449 266 A N 0.128 122.880 122.820 -0.114 0.000 1.940 266 A HA -0.151 4.152 4.320 -0.029 0.000 0.219 266 A C 2.326 179.880 177.584 -0.050 0.000 1.176 266 A CA 2.068 54.061 52.037 -0.072 0.000 0.631 266 A CB -0.698 18.264 19.000 -0.063 0.000 0.814 266 A HN 0.607 nan 8.150 nan 0.000 0.446 267 A N -0.424 122.372 122.820 -0.040 0.000 2.168 267 A HA 0.035 4.338 4.320 -0.029 0.000 0.215 267 A C 2.150 179.738 177.584 0.006 0.000 1.152 267 A CA 1.900 53.927 52.037 -0.017 0.000 0.716 267 A CB -1.076 17.917 19.000 -0.012 0.000 0.794 267 A HN 0.779 nan 8.150 nan 0.000 0.465 268 T N -2.482 112.075 114.554 0.005 0.000 3.148 268 T HA 0.183 4.516 4.350 -0.029 0.000 0.253 268 T C 0.561 175.297 174.700 0.061 0.000 1.134 268 T CA -0.077 62.050 62.100 0.045 0.000 1.051 268 T CB -0.646 68.271 68.868 0.082 0.000 0.959 268 T HN 0.158 nan 8.240 nan 0.000 0.525 269 L N 3.049 124.305 121.223 0.055 0.000 2.559 269 L HA 0.298 4.620 4.340 -0.029 0.000 0.274 269 L C 0.095 177.099 176.870 0.222 0.000 1.205 269 L CA 0.615 55.528 54.840 0.122 0.000 0.907 269 L CB -0.053 42.045 42.059 0.066 0.000 1.153 269 L HN 0.542 nan 8.230 nan 0.000 0.490 270 K N 3.157 123.720 120.400 0.271 0.000 2.548 270 K HA 0.466 4.768 4.320 -0.029 0.000 0.282 270 K C -1.433 175.171 176.600 0.005 0.000 1.006 270 K CA -0.998 55.404 56.287 0.192 0.000 0.892 270 K CB 1.041 33.559 32.500 0.030 0.000 1.499 270 K HN 0.473 nan 8.250 nan 0.000 0.433 271 Q N 1.083 120.674 119.800 -0.347 0.000 2.296 271 Q HA 0.369 4.691 4.340 -0.029 0.000 0.257 271 Q C -1.109 174.731 176.000 -0.267 0.000 0.942 271 Q CA -0.468 55.020 55.803 -0.525 0.000 0.939 271 Q CB 1.700 29.935 28.738 -0.838 0.000 1.198 271 Q HN 0.552 nan 8.270 nan 0.000 0.429 272 S N 1.694 117.281 115.700 -0.188 0.000 2.535 272 S HA 0.277 4.730 4.470 -0.029 0.000 0.272 272 S C -0.432 174.118 174.600 -0.083 0.000 1.149 272 S CA -0.647 57.479 58.200 -0.124 0.000 0.888 272 S CB 1.365 64.501 63.200 -0.107 0.000 1.110 272 S HN 0.672 nan 8.310 nan 0.000 0.463 273 K N 2.397 122.765 120.400 -0.054 0.000 2.353 273 K HA 0.311 4.613 4.320 -0.029 0.000 0.195 273 K C 1.341 177.955 176.600 0.022 0.000 1.031 273 K CA 0.550 56.829 56.287 -0.012 0.000 1.079 273 K CB 0.008 32.510 32.500 0.003 0.000 0.857 273 K HN 0.765 nan 8.250 nan 0.000 0.535 274 I N -2.031 118.544 120.570 0.008 0.000 4.187 274 I HA 0.187 4.340 4.170 -0.029 0.000 0.326 274 I C -0.135 175.999 176.117 0.029 0.000 1.302 274 I CA -0.329 61.004 61.300 0.056 0.000 1.196 274 I CB 0.411 38.452 38.000 0.069 0.000 1.095 274 I HN -0.113 nan 8.210 nan 0.000 0.411 275 E N 0.653 120.777 120.200 -0.126 0.000 2.437 275 E HA 0.590 4.923 4.350 -0.029 0.000 0.280 275 E C -0.101 176.253 176.600 -0.410 0.000 1.044 275 E CA -0.709 55.403 56.400 -0.480 0.000 0.826 275 E CB 1.224 30.812 29.700 -0.188 0.000 1.358 275 E HN 0.255 nan 8.360 nan 0.000 0.459 276 G N -0.039 108.371 108.800 -0.651 0.000 2.796 276 G HA2 -0.075 3.867 3.960 -0.029 0.000 0.226 276 G HA3 -0.075 3.867 3.960 -0.029 0.000 0.226 276 G C -1.041 173.950 174.900 0.152 0.000 1.381 276 G CA 0.015 45.163 45.100 0.081 0.000 0.867 276 G HN 1.273 nan 8.290 nan 0.000 0.552 277 Y N -2.810 117.589 120.300 0.164 0.000 2.588 277 Y HA 0.774 5.307 4.550 -0.029 0.000 0.343 277 Y C -0.116 175.867 175.900 0.139 0.000 1.065 277 Y CA -1.331 56.858 58.100 0.150 0.000 1.038 277 Y CB 0.869 39.450 38.460 0.202 0.000 1.297 277 Y HN 0.723 nan 8.280 nan 0.000 0.467 278 Q N 4.729 124.665 119.800 0.227 0.000 2.271 278 Q HA 0.264 4.586 4.340 -0.029 0.000 0.273 278 Q C -2.336 173.775 176.000 0.185 0.000 1.051 278 Q CA -1.812 54.087 55.803 0.161 0.000 0.901 278 Q CB 0.587 29.424 28.738 0.166 0.000 1.174 278 Q HN 0.417 nan 8.270 nan 0.000 0.385 279 P HA 0.232 nan 4.420 nan 0.000 0.274 279 P C -0.386 176.877 177.300 -0.062 0.000 1.237 279 P CA -0.047 63.090 63.100 0.062 0.000 0.793 279 P CB 1.468 33.244 31.700 0.126 0.000 0.977 280 G N -0.463 108.070 108.800 -0.444 0.000 2.753 280 G HA2 0.355 4.298 3.960 -0.029 0.000 0.303 280 G HA3 0.355 4.298 3.960 -0.029 0.000 0.303 280 G C 0.761 174.845 174.900 -1.360 0.000 1.242 280 G CA -0.146 44.565 45.100 -0.649 0.000 0.810 280 G HN 0.291 nan 8.290 nan 0.000 0.515 281 V N -1.043 118.381 119.914 -0.816 0.000 2.392 281 V HA -0.153 3.949 4.120 -0.029 0.000 0.249 281 V C 2.103 177.881 176.094 -0.527 0.000 1.059 281 V CA 2.355 64.201 62.300 -0.756 0.000 1.051 281 V CB -0.776 30.924 31.823 -0.204 0.000 0.658 281 V HN 0.476 nan 8.190 nan 0.000 0.455 282 N N 0.976 119.464 118.700 -0.354 0.000 2.289 282 N HA -0.140 4.582 4.740 -0.029 0.000 0.184 282 N C 1.549 177.122 175.510 0.104 0.000 1.016 282 N CA 1.780 54.777 53.050 -0.088 0.000 0.872 282 N CB -0.499 37.864 38.487 -0.206 0.000 0.973 282 N HN 0.633 nan 8.380 nan 0.000 0.433 283 D N -0.401 119.932 120.400 -0.112 0.000 2.234 283 D HA -0.071 4.551 4.640 -0.029 0.000 0.205 283 D C 1.705 178.232 176.300 0.379 0.000 0.962 283 D CA 0.389 54.484 54.000 0.159 0.000 0.855 283 D CB -0.213 40.697 40.800 0.184 0.000 0.951 283 D HN 0.482 nan 8.370 nan 0.000 0.500 284 W N 1.000 122.410 121.300 0.184 0.000 2.374 284 W HA -0.106 4.536 4.660 -0.029 0.000 0.288 284 W C 2.166 178.739 176.519 0.090 0.000 1.218 284 W CA -0.278 57.142 57.345 0.126 0.000 1.245 284 W CB -0.188 29.326 29.460 0.090 0.000 1.126 284 W HN -0.176 nan 8.180 nan 0.000 0.545 285 V N 0.431 120.510 119.914 0.276 0.000 2.446 285 V HA -0.183 3.919 4.120 -0.029 0.000 0.244 285 V C 2.214 178.288 176.094 -0.035 0.000 1.039 285 V CA 1.656 64.042 62.300 0.144 0.000 1.045 285 V CB -0.618 31.325 31.823 0.199 0.000 0.681 285 V HN -0.077 nan 8.190 nan 0.000 0.459 286 K N 0.498 120.799 120.400 -0.166 0.000 2.148 286 K HA -0.059 4.243 4.320 -0.029 0.000 0.204 286 K C 0.201 176.371 176.600 -0.717 0.000 1.050 286 K CA 1.428 57.323 56.287 -0.653 0.000 0.942 286 K CB -0.115 31.815 32.500 -0.951 0.000 0.724 286 K HN 0.416 nan 8.250 nan 0.000 0.446 287 F N 1.356 121.328 119.950 0.037 0.000 2.550 287 F HA 0.354 4.863 4.527 -0.029 0.000 0.348 287 F C -2.346 173.500 175.800 0.078 0.000 1.219 287 F CA -3.124 54.901 58.000 0.041 0.000 1.203 287 F CB 1.007 40.044 39.000 0.062 0.000 1.436 287 F HN -0.176 nan 8.300 nan 0.000 0.541 288 P HA 0.214 nan 4.420 nan 0.000 0.264 288 P C 1.011 178.371 177.300 0.100 0.000 1.193 288 P CA 1.031 64.201 63.100 0.117 0.000 0.763 288 P CB 0.933 32.670 31.700 0.061 0.000 0.810 289 G N 2.317 111.161 108.800 0.074 0.000 2.238 289 G HA2 -0.291 3.651 3.960 -0.029 0.000 0.217 289 G HA3 -0.291 3.651 3.960 -0.029 0.000 0.217 289 G C 0.644 175.544 174.900 -0.000 0.000 0.996 289 G CA 0.198 45.311 45.100 0.022 0.000 0.632 289 G HN 0.546 nan 8.290 nan 0.000 0.503 290 L N 1.560 122.827 121.223 0.074 0.000 2.093 290 L HA 0.268 4.591 4.340 -0.029 0.000 0.208 290 L C 2.383 179.155 176.870 -0.164 0.000 1.085 290 L CA 3.032 57.905 54.840 0.055 0.000 0.755 290 L CB -0.406 41.818 42.059 0.275 0.000 0.904 290 L HN 0.518 nan 8.230 nan 0.000 0.435 291 E N -0.428 119.557 120.200 -0.358 0.000 2.085 291 E HA -0.264 4.069 4.350 -0.029 0.000 0.194 291 E C 2.013 178.290 176.600 -0.538 0.000 0.994 291 E CA 1.258 57.092 56.400 -0.943 0.000 0.801 291 E CB -0.186 28.903 29.700 -1.018 0.000 0.743 291 E HN 0.613 nan 8.360 nan 0.000 0.453 292 A N 0.436 123.074 122.820 -0.303 0.000 2.121 292 A HA -0.041 4.261 4.320 -0.029 0.000 0.218 292 A C 1.966 179.447 177.584 -0.171 0.000 1.154 292 A CA 0.626 52.541 52.037 -0.205 0.000 0.679 292 A CB -0.231 18.688 19.000 -0.134 0.000 0.795 292 A HN 0.302 nan 8.150 nan 0.000 0.458 293 L N -0.823 120.300 121.223 -0.166 0.000 2.567 293 L HA 0.244 4.566 4.340 -0.029 0.000 0.225 293 L C -0.058 176.728 176.870 -0.141 0.000 1.119 293 L CA -0.020 54.744 54.840 -0.127 0.000 0.871 293 L CB -0.078 41.926 42.059 -0.092 0.000 1.036 293 L HN 0.243 nan 8.230 nan 0.000 0.459 294 L N 0.763 121.878 121.223 -0.180 0.000 2.334 294 L HA 0.458 4.781 4.340 -0.029 0.000 0.276 294 L C -2.182 174.586 176.870 -0.170 0.000 1.014 294 L CA -1.992 52.748 54.840 -0.166 0.000 0.815 294 L CB 1.564 43.550 42.059 -0.123 0.000 1.268 294 L HN -0.207 nan 8.230 nan 0.000 0.428 295 P HA 0.079 nan 4.420 nan 0.000 0.274 295 P C -0.179 177.059 177.300 -0.103 0.000 1.237 295 P CA -0.444 62.569 63.100 -0.146 0.000 0.793 295 P CB 1.114 32.706 31.700 -0.180 0.000 0.977 296 Q N 2.040 121.796 119.800 -0.073 0.000 2.135 296 Q HA -0.207 4.116 4.340 -0.029 0.000 0.204 296 Q C 1.803 177.805 176.000 0.004 0.000 0.981 296 Q CA 2.184 57.970 55.803 -0.028 0.000 0.856 296 Q CB -0.693 28.033 28.738 -0.020 0.000 0.902 296 Q HN 0.526 nan 8.270 nan 0.000 0.425 297 N N -0.929 117.761 118.700 -0.017 0.000 2.309 297 N HA -0.123 4.599 4.740 -0.029 0.000 0.182 297 N C 1.523 177.057 175.510 0.039 0.000 1.018 297 N CA 1.559 54.617 53.050 0.015 0.000 0.876 297 N CB -0.443 38.047 38.487 0.006 0.000 0.972 297 N HN 0.198 nan 8.380 nan 0.000 0.434 298 V N 1.484 121.390 119.914 -0.014 0.000 2.323 298 V HA -0.132 3.970 4.120 -0.029 0.000 0.244 298 V C 2.448 178.625 176.094 0.139 0.000 1.041 298 V CA 1.526 63.850 62.300 0.039 0.000 1.025 298 V CB -0.490 31.288 31.823 -0.075 0.000 0.656 298 V HN 0.292 nan 8.190 nan 0.000 0.451 299 K N -0.062 120.426 120.400 0.145 0.000 2.209 299 K HA -0.160 4.143 4.320 -0.029 0.000 0.204 299 K C 1.428 178.163 176.600 0.226 0.000 1.048 299 K CA 1.409 57.857 56.287 0.268 0.000 0.940 299 K CB -0.186 32.456 32.500 0.236 0.000 0.729 299 K HN 0.433 nan 8.250 nan 0.000 0.451 300 D N 0.902 121.401 120.400 0.164 0.000 2.349 300 D HA -0.010 4.612 4.640 -0.029 0.000 0.215 300 D C 0.248 176.672 176.300 0.207 0.000 1.016 300 D CA 0.376 54.479 54.000 0.171 0.000 0.870 300 D CB 0.138 41.017 40.800 0.131 0.000 0.917 300 D HN 0.201 nan 8.370 nan 0.000 0.524 301 Q N 0.767 120.664 119.800 0.161 0.000 2.386 301 Q HA 0.045 4.367 4.340 -0.029 0.000 0.282 301 Q C 0.405 176.493 176.000 0.147 0.000 1.050 301 Q CA 0.611 56.470 55.803 0.094 0.000 0.918 301 Q CB 0.440 29.249 28.738 0.117 0.000 1.266 301 Q HN 0.439 nan 8.270 nan 0.000 0.423 302 H N 0.311 119.421 119.070 0.066 0.000 2.806 302 H HA 0.323 4.862 4.556 -0.029 0.000 0.218 302 H C -1.079 174.272 175.328 0.038 0.000 1.392 302 H CA -0.297 55.781 56.048 0.050 0.000 1.358 302 H CB -0.757 29.027 29.762 0.037 0.000 1.944 302 H HN 0.424 nan 8.280 nan 0.000 0.530 303 I N 2.339 122.905 120.570 -0.007 0.000 2.352 303 I HA 0.540 4.692 4.170 -0.029 0.000 0.290 303 I C 0.195 176.329 176.117 0.029 0.000 1.036 303 I CA -0.066 61.222 61.300 -0.020 0.000 1.336 303 I CB 1.135 39.115 38.000 -0.033 0.000 1.407 303 I HN 0.625 nan 8.210 nan 0.000 0.497 304 A N 5.154 127.991 122.820 0.029 0.000 2.566 304 A HA 0.804 5.106 4.320 -0.029 0.000 0.297 304 A C -0.956 176.646 177.584 0.030 0.000 1.059 304 A CA -0.652 51.397 52.037 0.021 0.000 0.691 304 A CB 1.355 20.364 19.000 0.014 0.000 1.282 304 A HN 0.728 nan 8.150 nan 0.000 0.401 305 A N 1.607 124.444 122.820 0.028 0.000 2.279 305 A HA 0.650 4.952 4.320 -0.029 0.000 0.306 305 A C 0.117 177.674 177.584 -0.045 0.000 1.300 305 A CA -0.037 52.069 52.037 0.115 0.000 0.925 305 A CB -0.346 18.756 19.000 0.170 0.000 1.152 305 A HN 0.811 nan 8.150 nan 0.000 0.544 306 T N 3.346 117.858 114.554 -0.070 0.000 2.771 306 T HA 0.411 4.743 4.350 -0.029 0.000 0.281 306 T C -0.438 174.006 174.700 -0.426 0.000 0.982 306 T CA -0.222 61.724 62.100 -0.257 0.000 0.978 306 T CB 0.897 69.661 68.868 -0.174 0.000 0.930 306 T HN 0.481 nan 8.240 nan 0.000 0.447 307 L N 4.147 125.007 121.223 -0.606 0.000 2.261 307 L HA 0.427 4.749 4.340 -0.029 0.000 0.289 307 L C -0.330 176.190 176.870 -0.583 0.000 1.059 307 L CA -0.194 54.231 54.840 -0.692 0.000 0.816 307 L CB 0.454 42.090 42.059 -0.704 0.000 1.191 307 L HN 0.493 nan 8.230 nan 0.000 0.431 308 D N 6.178 126.258 120.400 -0.534 0.000 2.460 308 D HA 0.278 4.900 4.640 -0.029 0.000 0.232 308 D C -0.641 175.440 176.300 -0.365 0.000 1.079 308 D CA -0.203 53.567 54.000 -0.384 0.000 0.864 308 D CB 0.573 41.222 40.800 -0.252 0.000 1.048 308 D HN 0.445 nan 8.370 nan 0.000 0.523 309 I N 3.949 124.259 120.570 -0.434 0.000 2.315 309 I HA 0.329 4.482 4.170 -0.029 0.000 0.291 309 I C 0.648 176.693 176.117 -0.120 0.000 1.006 309 I CA -0.613 60.509 61.300 -0.297 0.000 1.265 309 I CB 1.066 38.772 38.000 -0.490 0.000 1.387 309 I HN 0.041 nan 8.210 nan 0.000 0.475 310 R N 4.109 124.597 120.500 -0.021 0.000 2.437 310 R HA 0.375 4.697 4.340 -0.029 0.000 0.310 310 R C -0.031 176.307 176.300 0.063 0.000 0.955 310 R CA -0.558 55.555 56.100 0.021 0.000 0.851 310 R CB 1.718 32.027 30.300 0.015 0.000 1.161 310 R HN 0.676 nan 8.270 nan 0.000 0.446 311 S N 0.446 116.196 115.700 0.085 0.000 3.550 311 S HA -0.229 4.224 4.470 -0.029 0.000 0.372 311 S C -0.166 174.510 174.600 0.126 0.000 0.966 311 S CA 0.888 59.154 58.200 0.110 0.000 1.229 311 S CB -1.023 62.229 63.200 0.087 0.000 0.917 311 S HN 0.796 nan 8.310 nan 0.000 0.496 312 A N 0.600 123.512 122.820 0.155 0.000 2.299 312 A HA 0.896 5.198 4.320 -0.029 0.000 0.332 312 A C 0.205 177.908 177.584 0.198 0.000 1.131 312 A CA -0.148 51.982 52.037 0.155 0.000 0.844 312 A CB 1.860 20.951 19.000 0.152 0.000 1.251 312 A HN 0.780 nan 8.150 nan 0.000 0.486 313 S N 0.121 115.924 115.700 0.173 0.000 2.538 313 S HA 0.554 5.006 4.470 -0.029 0.000 0.288 313 S C -0.171 174.526 174.600 0.161 0.000 1.108 313 S CA -0.625 57.693 58.200 0.197 0.000 0.971 313 S CB 0.436 63.739 63.200 0.171 0.000 1.041 313 S HN 0.795 nan 8.310 nan 0.000 0.483 314 R N 1.076 121.688 120.500 0.185 0.000 3.422 314 R HA -0.107 4.215 4.340 -0.029 0.000 0.267 314 R C -0.851 175.522 176.300 0.121 0.000 1.074 314 R CA 0.502 56.686 56.100 0.139 0.000 0.718 314 R CB -2.742 27.607 30.300 0.082 0.000 1.157 314 R HN 0.425 nan 8.270 nan 0.000 0.440 315 V N 0.977 120.985 119.914 0.156 0.000 2.427 315 V HA 0.270 4.372 4.120 -0.029 0.000 0.286 315 V C 0.750 176.956 176.094 0.186 0.000 1.034 315 V CA -0.325 62.076 62.300 0.169 0.000 0.893 315 V CB 2.112 34.064 31.823 0.216 0.000 0.982 315 V HN 0.136 nan 8.190 nan 0.000 0.452 316 E N 4.267 124.558 120.200 0.152 0.000 2.199 316 E HA 0.567 4.900 4.350 -0.029 0.000 0.269 316 E C -1.189 175.502 176.600 0.153 0.000 0.899 316 E CA -0.617 55.866 56.400 0.139 0.000 0.772 316 E CB 2.749 32.503 29.700 0.089 0.000 1.155 316 E HN 0.518 nan 8.360 nan 0.000 0.408 317 I N 3.193 123.860 120.570 0.161 0.000 2.378 317 I HA 0.355 4.508 4.170 -0.029 0.000 0.291 317 I C -0.111 176.035 176.117 0.048 0.000 0.992 317 I CA -0.542 60.824 61.300 0.110 0.000 1.154 317 I CB 1.192 39.251 38.000 0.097 0.000 1.315 317 I HN 0.255 nan 8.210 nan 0.000 0.448 318 R N 5.497 126.021 120.500 0.040 0.000 2.562 318 R HA 0.409 4.731 4.340 -0.029 0.000 0.298 318 R C -0.270 176.039 176.300 0.014 0.000 0.961 318 R CA -0.851 55.265 56.100 0.026 0.000 0.881 318 R CB 1.273 31.597 30.300 0.039 0.000 1.159 318 R HN 0.605 nan 8.270 nan 0.000 0.450 319 N N 0.046 118.748 118.700 0.002 0.000 2.740 319 N HA -0.191 4.531 4.740 -0.029 0.000 0.248 319 N C -0.710 174.805 175.510 0.009 0.000 1.062 319 N CA 1.050 54.107 53.050 0.011 0.000 0.704 319 N CB -0.924 37.582 38.487 0.032 0.000 0.968 319 N HN 0.762 nan 8.380 nan 0.000 0.547 320 A N -0.099 122.680 122.820 -0.068 0.000 2.462 320 A HA 0.616 4.919 4.320 -0.029 0.000 0.243 320 A C 1.075 178.633 177.584 -0.043 0.000 1.076 320 A CA 0.800 52.761 52.037 -0.126 0.000 0.773 320 A CB 0.579 19.246 19.000 -0.554 0.000 1.010 320 A HN 0.465 nan 8.150 nan 0.000 0.493 321 G N -0.824 108.002 108.800 0.044 0.000 3.015 321 G HA2 0.858 4.800 3.960 -0.029 0.000 0.281 321 G HA3 0.858 4.800 3.960 -0.029 0.000 0.281 321 G C -0.259 174.385 174.900 -0.426 0.000 1.386 321 G CA -0.287 44.776 45.100 -0.062 0.000 0.959 321 G HN 1.948 nan 8.290 nan 0.000 0.522 322 G N -1.788 106.491 108.800 -0.868 0.000 2.316 322 G HA2 0.488 4.430 3.960 -0.029 0.000 0.296 322 G HA3 0.488 4.430 3.960 -0.029 0.000 0.296 322 G C -2.017 172.569 174.900 -0.524 0.000 1.399 322 G CA -0.842 43.591 45.100 -1.112 0.000 0.833 322 G HN 0.802 nan 8.290 nan 0.000 0.565 323 L N 1.450 122.501 121.223 -0.287 0.000 2.404 323 L HA 0.493 4.815 4.340 -0.029 0.000 0.272 323 L C 0.492 177.364 176.870 0.004 0.000 0.980 323 L CA -0.906 53.929 54.840 -0.008 0.000 0.836 323 L CB 1.790 43.931 42.059 0.137 0.000 1.238 323 L HN 0.693 nan 8.230 nan 0.000 0.408 324 M N 1.283 120.900 119.600 0.029 0.000 2.253 324 M HA -0.198 4.264 4.480 -0.029 0.000 0.195 324 M C -0.142 176.155 176.300 -0.005 0.000 0.512 324 M CA 0.770 56.088 55.300 0.030 0.000 0.442 324 M CB -1.924 30.693 32.600 0.029 0.000 1.189 324 M HN 0.706 nan 8.290 nan 0.000 0.923 325 A N 0.174 122.974 122.820 -0.033 0.000 2.320 325 A HA 0.973 5.275 4.320 -0.029 0.000 0.334 325 A C 0.098 177.616 177.584 -0.110 0.000 1.147 325 A CA 0.146 52.117 52.037 -0.110 0.000 0.820 325 A CB 1.630 20.536 19.000 -0.156 0.000 1.218 325 A HN 1.110 nan 8.150 nan 0.000 0.482 326 A N 0.356 123.030 122.820 -0.242 0.000 2.475 326 A HA 0.719 5.022 4.320 -0.029 0.000 0.301 326 A C -1.792 175.504 177.584 -0.480 0.000 1.059 326 A CA -0.378 51.530 52.037 -0.215 0.000 0.710 326 A CB 0.916 19.832 19.000 -0.140 0.000 1.288 326 A HN 0.772 nan 8.150 nan 0.000 0.408 327 Y N 0.970 121.177 120.300 -0.155 0.000 2.328 327 Y HA 0.597 5.129 4.550 -0.029 0.000 0.336 327 Y C -0.386 175.359 175.900 -0.258 0.000 0.960 327 Y CA -0.597 57.370 58.100 -0.222 0.000 1.134 327 Y CB 2.124 40.501 38.460 -0.138 0.000 1.166 327 Y HN 0.620 nan 8.280 nan 0.000 0.464 328 L N 4.778 125.835 121.223 -0.277 0.000 2.409 328 L HA 0.657 4.979 4.340 -0.029 0.000 0.272 328 L C -2.049 174.599 176.870 -0.370 0.000 0.980 328 L CA -0.886 53.805 54.840 -0.249 0.000 0.826 328 L CB 0.656 42.587 42.059 -0.214 0.000 1.268 328 L HN 0.371 nan 8.230 nan 0.000 0.407 329 F N 4.426 124.227 119.950 -0.248 0.000 2.426 329 F HA 0.608 5.117 4.527 -0.029 0.000 0.348 329 F C 0.364 176.123 175.800 -0.069 0.000 1.124 329 F CA -0.406 57.521 58.000 -0.121 0.000 1.008 329 F CB 1.408 40.379 39.000 -0.048 0.000 1.139 329 F HN 0.292 nan 8.300 nan 0.000 0.452 330 R N 1.675 122.217 120.500 0.071 0.000 2.343 330 R HA 0.401 4.724 4.340 -0.029 0.000 0.320 330 R C 0.087 176.416 176.300 0.047 0.000 0.956 330 R CA -0.494 55.621 56.100 0.026 0.000 0.836 330 R CB 1.516 31.803 30.300 -0.021 0.000 1.151 330 R HN 0.756 nan 8.270 nan 0.000 0.450 331 S N 0.497 116.208 115.700 0.018 0.000 3.641 331 S HA -0.168 4.285 4.470 -0.029 0.000 0.346 331 S C 0.063 174.668 174.600 0.008 0.000 1.074 331 S CA 0.587 58.789 58.200 0.004 0.000 1.026 331 S CB -1.503 61.725 63.200 0.047 0.000 0.908 331 S HN 0.665 nan 8.310 nan 0.000 0.479 332 C N 0.732 120.013 119.300 -0.032 0.000 2.349 332 C HA 0.826 5.269 4.460 -0.029 0.000 0.361 332 C C 0.542 175.323 174.990 -0.347 0.000 1.189 332 C CA -0.563 58.470 59.018 0.024 0.000 2.155 332 C CB 0.843 28.741 27.740 0.264 0.000 2.336 332 C HN 0.723 nan 8.230 nan 0.000 0.540 333 H N -1.756 117.354 119.070 0.067 0.000 2.974 333 H HA 0.377 4.915 4.556 -0.029 0.000 0.366 333 H C -0.366 174.963 175.328 0.002 0.000 1.155 333 H CA -0.431 55.590 56.048 -0.045 0.000 1.186 333 H CB 0.496 30.260 29.762 0.004 0.000 1.799 333 H HN 0.930 nan 8.280 nan 0.000 0.541 334 H N -1.156 117.957 119.070 0.072 0.000 2.820 334 H HA -0.178 4.360 4.556 -0.029 0.000 0.295 334 H C -0.698 174.647 175.328 0.027 0.000 1.187 334 H CA 0.773 56.852 56.048 0.052 0.000 1.144 334 H CB -1.613 28.198 29.762 0.080 0.000 1.354 334 H HN 0.426 nan 8.280 nan 0.000 0.395 335 C N 0.816 120.109 119.300 -0.010 0.000 2.366 335 C HA 0.599 5.042 4.460 -0.029 0.000 0.345 335 C C 0.599 175.539 174.990 -0.083 0.000 1.209 335 C CA -0.521 58.476 59.018 -0.035 0.000 2.050 335 C CB 1.447 29.118 27.740 -0.115 0.000 2.359 335 C HN 0.394 nan 8.230 nan 0.000 0.527 336 K N 1.282 121.691 120.400 0.015 0.000 2.469 336 K HA 0.704 5.007 4.320 -0.029 0.000 0.254 336 K C -1.714 174.951 176.600 0.110 0.000 0.939 336 K CA -0.573 55.768 56.287 0.090 0.000 0.812 336 K CB 2.204 34.756 32.500 0.087 0.000 1.301 336 K HN 0.353 nan 8.250 nan 0.000 0.433 337 V N 4.225 124.227 119.914 0.146 0.000 2.350 337 V HA 0.380 4.482 4.120 -0.029 0.000 0.285 337 V C -0.590 175.549 176.094 0.075 0.000 1.014 337 V CA -0.799 61.559 62.300 0.097 0.000 0.831 337 V CB 0.989 32.856 31.823 0.074 0.000 1.000 337 V HN 0.592 nan 8.190 nan 0.000 0.433 338 I N 3.252 123.848 120.570 0.042 0.000 2.441 338 I HA 0.489 4.642 4.170 -0.029 0.000 0.295 338 I C 0.293 176.421 176.117 0.018 0.000 0.994 338 I CA -0.445 60.876 61.300 0.034 0.000 1.144 338 I CB 1.570 39.585 38.000 0.026 0.000 1.314 338 I HN 0.607 nan 8.210 nan 0.000 0.445 339 D N 2.815 123.230 120.400 0.026 0.000 2.689 339 D HA -0.154 4.468 4.640 -0.029 0.000 0.237 339 D C 0.100 176.403 176.300 0.006 0.000 1.148 339 D CA 0.662 54.674 54.000 0.020 0.000 0.656 339 D CB -0.974 39.837 40.800 0.018 0.000 1.050 339 D HN 0.485 nan 8.370 nan 0.000 0.426 340 S N 0.487 116.185 115.700 -0.002 0.000 2.552 340 S HA -0.002 4.450 4.470 -0.029 0.000 0.289 340 S C 0.731 175.319 174.600 -0.020 0.000 1.304 340 S CA -0.153 58.027 58.200 -0.033 0.000 1.063 340 S CB 1.062 64.239 63.200 -0.039 0.000 0.848 340 S HN 0.221 nan 8.310 nan 0.000 0.499 341 D N 1.874 122.259 120.400 -0.025 0.000 2.973 341 D HA 0.224 4.847 4.640 -0.029 0.000 0.263 341 D C -0.350 175.915 176.300 -0.058 0.000 1.266 341 D CA -0.236 53.756 54.000 -0.014 0.000 0.975 341 D CB -0.898 39.921 40.800 0.032 0.000 1.032 341 D HN 0.458 nan 8.370 nan 0.000 0.510 342 S N 0.465 116.085 115.700 -0.133 0.000 3.711 342 S HA -0.225 4.228 4.470 -0.029 0.000 0.374 342 S C 0.603 175.060 174.600 -0.239 0.000 0.969 342 S CA -0.058 57.926 58.200 -0.360 0.000 1.198 342 S CB -1.759 61.135 63.200 -0.510 0.000 0.903 342 S HN 0.544 nan 8.310 nan 0.000 0.493 343 I N 1.809 122.316 120.570 -0.105 0.000 2.741 343 I HA -0.028 4.124 4.170 -0.029 0.000 0.288 343 I C 0.768 176.903 176.117 0.030 0.000 1.192 343 I CA 0.180 61.461 61.300 -0.033 0.000 1.426 343 I CB 0.206 38.223 38.000 0.028 0.000 1.367 343 I HN 0.255 nan 8.210 nan 0.000 0.563 344 I N 6.717 127.325 120.570 0.063 0.000 2.322 344 I HA 0.190 4.342 4.170 -0.029 0.000 0.292 344 I C 1.085 177.282 176.117 0.134 0.000 1.060 344 I CA 0.060 61.470 61.300 0.185 0.000 1.309 344 I CB 0.119 38.248 38.000 0.214 0.000 1.415 344 I HN 0.583 nan 8.210 nan 0.000 0.492 345 G N 4.406 113.307 108.800 0.168 0.000 2.594 345 G HA2 0.454 4.397 3.960 -0.029 0.000 0.243 345 G HA3 0.454 4.397 3.960 -0.029 0.000 0.243 345 G C 0.434 175.403 174.900 0.115 0.000 1.229 345 G CA 0.022 45.192 45.100 0.116 0.000 0.843 345 G HN 0.756 nan 8.290 nan 0.000 0.578 346 G N -0.380 108.464 108.800 0.073 0.000 3.099 346 G HA2 0.383 4.325 3.960 -0.029 0.000 0.151 346 G HA3 0.383 4.325 3.960 -0.029 0.000 0.151 346 G C 1.052 176.003 174.900 0.085 0.000 1.265 346 G CA 0.069 45.215 45.100 0.077 0.000 0.981 346 G HN 0.589 nan 8.290 nan 0.000 0.601 347 K N -0.117 120.330 120.400 0.077 0.000 2.148 347 K HA 0.019 4.322 4.320 -0.029 0.000 0.204 347 K C 0.268 176.897 176.600 0.048 0.000 1.050 347 K CA 0.936 57.275 56.287 0.086 0.000 0.942 347 K CB -0.124 32.438 32.500 0.104 0.000 0.724 347 K HN 0.340 nan 8.250 nan 0.000 0.446 348 D N -0.384 120.032 120.400 0.027 0.000 2.388 348 D HA 0.233 4.856 4.640 -0.029 0.000 0.254 348 D C -0.035 176.258 176.300 -0.011 0.000 1.111 348 D CA -0.073 53.928 54.000 0.001 0.000 0.993 348 D CB 0.787 41.580 40.800 -0.012 0.000 1.118 348 D HN 0.246 nan 8.370 nan 0.000 0.502 349 G N 0.113 108.902 108.800 -0.018 0.000 2.464 349 G HA2 0.025 3.967 3.960 -0.029 0.000 0.231 349 G HA3 0.025 3.967 3.960 -0.029 0.000 0.231 349 G C 1.327 176.210 174.900 -0.029 0.000 1.267 349 G CA -0.200 44.883 45.100 -0.029 0.000 0.863 349 G HN 0.463 nan 8.290 nan 0.000 0.559 350 I N 1.154 121.710 120.570 -0.023 0.000 2.193 350 I HA 0.021 4.173 4.170 -0.029 0.000 0.240 350 I C 0.825 176.962 176.117 0.034 0.000 1.084 350 I CA 1.139 62.448 61.300 0.015 0.000 1.365 350 I CB -0.210 37.808 38.000 0.029 0.000 1.064 350 I HN 0.272 nan 8.210 nan 0.000 0.410 351 I N 0.415 120.972 120.570 -0.021 0.000 2.436 351 I HA 0.283 4.436 4.170 -0.029 0.000 0.289 351 I C -0.872 175.117 176.117 -0.214 0.000 1.010 351 I CA -0.148 61.103 61.300 -0.083 0.000 1.098 351 I CB 1.937 39.891 38.000 -0.076 0.000 1.266 351 I HN -0.090 nan 8.210 nan 0.000 0.434 352 T N 5.686 120.060 114.554 -0.300 0.000 2.879 352 T HA 0.522 4.854 4.350 -0.029 0.000 0.290 352 T C -0.807 173.618 174.700 -0.458 0.000 0.993 352 T CA -0.422 61.493 62.100 -0.308 0.000 0.975 352 T CB 0.954 69.729 68.868 -0.155 0.000 0.981 352 T HN 0.082 nan 8.240 nan 0.000 0.439 353 F N 2.664 122.490 119.950 -0.206 0.000 2.361 353 F HA 0.398 4.907 4.527 -0.029 0.000 0.364 353 F C 0.715 176.463 175.800 -0.087 0.000 1.117 353 F CA -0.908 57.021 58.000 -0.117 0.000 1.071 353 F CB 1.133 40.020 39.000 -0.187 0.000 1.188 353 F HN 0.382 nan 8.300 nan 0.000 0.464 354 E N 3.479 123.714 120.200 0.059 0.000 2.114 354 E HA 0.262 4.594 4.350 -0.029 0.000 0.266 354 E C -1.052 175.525 176.600 -0.037 0.000 0.896 354 E CA -0.354 56.024 56.400 -0.038 0.000 0.750 354 E CB 0.683 30.328 29.700 -0.091 0.000 1.121 354 E HN 0.643 nan 8.360 nan 0.000 0.413 355 N N 4.791 123.447 118.700 -0.073 0.000 2.598 355 N HA 0.198 4.921 4.740 -0.029 0.000 0.309 355 N C 0.823 176.218 175.510 -0.192 0.000 1.645 355 N CA -0.075 52.907 53.050 -0.113 0.000 0.936 355 N CB 0.625 39.045 38.487 -0.111 0.000 1.323 355 N HN 0.401 nan 8.380 nan 0.000 0.497 356 L N -0.927 120.191 121.223 -0.176 0.000 2.141 356 L HA 0.020 4.342 4.340 -0.029 0.000 0.209 356 L C 0.318 177.078 176.870 -0.184 0.000 1.094 356 L CA 0.946 55.663 54.840 -0.206 0.000 0.763 356 L CB -0.067 41.895 42.059 -0.162 0.000 0.908 356 L HN 0.169 nan 8.230 nan 0.000 0.437 357 S N -1.555 114.072 115.700 -0.122 0.000 2.664 357 S HA 0.733 5.185 4.470 -0.029 0.000 0.304 357 S C 0.291 174.867 174.600 -0.039 0.000 1.099 357 S CA -0.156 57.999 58.200 -0.075 0.000 1.003 357 S CB 1.925 65.101 63.200 -0.039 0.000 1.092 357 S HN 0.452 nan 8.310 nan 0.000 0.525 358 G N 1.604 110.402 108.800 -0.002 0.000 2.593 358 G HA2 -0.157 3.786 3.960 -0.029 0.000 0.237 358 G HA3 -0.157 3.786 3.960 -0.029 0.000 0.237 358 G C -1.266 173.682 174.900 0.081 0.000 1.312 358 G CA -0.434 44.697 45.100 0.052 0.000 0.896 358 G HN 0.681 nan 8.290 nan 0.000 0.574 359 D N 0.041 120.535 120.400 0.157 0.000 2.382 359 D HA 0.351 4.973 4.640 -0.029 0.000 0.240 359 D C 0.651 177.141 176.300 0.316 0.000 1.146 359 D CA 0.132 54.271 54.000 0.232 0.000 0.897 359 D CB 0.191 41.081 40.800 0.149 0.000 1.197 359 D HN 0.429 nan 8.370 nan 0.000 0.432 360 W N 0.844 122.220 121.300 0.127 0.000 2.209 360 W HA 0.261 4.904 4.660 -0.029 0.000 0.344 360 W C 1.404 178.016 176.519 0.155 0.000 1.285 360 W CA -0.090 57.318 57.345 0.105 0.000 1.267 360 W CB 0.138 29.632 29.460 0.057 0.000 1.167 360 W HN 0.264 nan 8.180 nan 0.000 0.574 361 G N 2.431 111.352 108.800 0.202 0.000 2.432 361 G HA2 0.381 4.323 3.960 -0.029 0.000 0.239 361 G HA3 0.381 4.323 3.960 -0.029 0.000 0.239 361 G C -1.650 173.290 174.900 0.066 0.000 1.291 361 G CA -0.403 44.690 45.100 -0.011 0.000 0.863 361 G HN 0.462 nan 8.290 nan 0.000 0.560 362 L N 1.132 122.347 121.223 -0.014 0.000 2.526 362 L HA 0.636 4.958 4.340 -0.029 0.000 0.263 362 L C 0.610 177.223 176.870 -0.428 0.000 0.943 362 L CA 0.791 55.548 54.840 -0.137 0.000 0.859 362 L CB 1.805 43.840 42.059 -0.041 0.000 1.313 362 L HN 1.496 nan 8.230 nan 0.000 0.406 363 G N 2.024 110.562 108.800 -0.437 0.000 2.143 363 G HA2 -0.255 3.687 3.960 -0.029 0.000 0.249 363 G HA3 -0.255 3.687 3.960 -0.029 0.000 0.249 363 G C -0.092 174.597 174.900 -0.352 0.000 0.981 363 G CA 0.231 45.103 45.100 -0.380 0.000 0.665 363 G HN 0.658 nan 8.290 nan 0.000 0.528 364 N N 0.124 118.459 118.700 -0.608 0.000 2.426 364 N HA 0.665 5.387 4.740 -0.029 0.000 0.275 364 N C -0.711 174.303 175.510 -0.825 0.000 1.019 364 N CA 0.119 52.641 53.050 -0.879 0.000 0.941 364 N CB 0.944 38.551 38.487 -1.467 0.000 1.123 364 N HN 0.299 nan 8.380 nan 0.000 0.486 365 Y N -0.529 119.508 120.300 -0.438 0.000 2.581 365 Y HA 0.480 5.012 4.550 -0.029 0.000 0.345 365 Y C -0.226 175.752 175.900 0.131 0.000 1.036 365 Y CA -0.988 57.068 58.100 -0.073 0.000 1.042 365 Y CB 1.667 40.096 38.460 -0.051 0.000 1.289 365 Y HN 0.064 nan 8.280 nan 0.000 0.471 366 V N 4.421 124.577 119.914 0.403 0.000 2.378 366 V HA 0.446 4.549 4.120 -0.029 0.000 0.288 366 V C -0.768 175.467 176.094 0.236 0.000 1.016 366 V CA -0.656 61.827 62.300 0.305 0.000 0.840 366 V CB 1.294 33.303 31.823 0.311 0.000 0.994 366 V HN 0.458 nan 8.190 nan 0.000 0.431 367 I N 4.171 124.831 120.570 0.151 0.000 2.410 367 I HA 0.716 4.869 4.170 -0.029 0.000 0.286 367 I C 0.687 176.846 176.117 0.071 0.000 1.009 367 I CA 0.125 61.474 61.300 0.083 0.000 1.111 367 I CB 0.999 39.005 38.000 0.009 0.000 1.262 367 I HN 0.887 nan 8.210 nan 0.000 0.443 368 G N 4.270 113.116 108.800 0.077 0.000 2.860 368 G HA2 0.276 4.219 3.960 -0.029 0.000 0.553 368 G HA3 0.276 4.219 3.960 -0.029 0.000 0.553 368 G C 0.159 175.109 174.900 0.084 0.000 1.439 368 G CA 0.062 45.204 45.100 0.070 0.000 0.879 368 G HN 1.657 nan 8.290 nan 0.000 0.545 369 G N -0.846 107.997 108.800 0.071 0.000 2.725 369 G HA2 0.305 4.248 3.960 -0.029 0.000 0.220 369 G HA3 0.305 4.248 3.960 -0.029 0.000 0.220 369 G C -0.291 174.665 174.900 0.092 0.000 1.357 369 G CA 0.837 45.974 45.100 0.062 0.000 0.866 369 G HN 1.743 nan 8.290 nan 0.000 0.548 370 R N -1.556 118.984 120.500 0.066 0.000 2.707 370 R HA 0.704 5.027 4.340 -0.029 0.000 0.272 370 R C -0.458 175.873 176.300 0.052 0.000 1.011 370 R CA -0.480 55.676 56.100 0.093 0.000 0.893 370 R CB 2.409 32.757 30.300 0.081 0.000 1.233 370 R HN 1.492 nan 8.270 nan 0.000 0.464 371 V N -2.145 117.839 119.914 0.116 0.000 2.876 371 V HA 0.635 4.737 4.120 -0.029 0.000 0.312 371 V C -0.784 175.487 176.094 0.296 0.000 1.085 371 V CA -0.699 61.665 62.300 0.106 0.000 0.945 371 V CB 2.127 33.979 31.823 0.049 0.000 1.017 371 V HN 0.799 nan 8.190 nan 0.000 0.428 372 H N 2.264 121.380 119.070 0.077 0.000 2.637 372 H HA 0.666 5.205 4.556 -0.029 0.000 0.363 372 H C -0.763 174.601 175.328 0.060 0.000 1.131 372 H CA -0.365 55.719 56.048 0.060 0.000 1.183 372 H CB 1.708 31.598 29.762 0.214 0.000 1.637 372 H HN 0.844 nan 8.280 nan 0.000 0.531 373 Y N 0.600 120.937 120.300 0.060 0.000 2.896 373 Y HA -0.291 4.241 4.550 -0.029 0.000 0.466 373 Y C 1.257 177.171 175.900 0.024 0.000 1.196 373 Y CA 1.408 59.522 58.100 0.022 0.000 2.514 373 Y CB -1.521 37.012 38.460 0.122 0.000 1.231 373 Y HN 1.146 nan 8.280 nan 0.000 0.632 374 G N -1.110 107.851 108.800 0.268 0.000 2.721 374 G HA2 0.078 4.020 3.960 -0.029 0.000 0.686 374 G HA3 0.078 4.020 3.960 -0.029 0.000 0.686 374 G C 0.321 175.245 174.900 0.039 0.000 1.236 374 G CA -0.021 45.154 45.100 0.126 0.000 0.786 374 G HN 1.116 nan 8.290 nan 0.000 0.616 375 S N 0.701 116.436 115.700 0.059 0.000 2.470 375 S HA 0.323 4.775 4.470 -0.029 0.000 0.225 375 S C 1.719 176.242 174.600 -0.128 0.000 1.006 375 S CA 1.469 59.671 58.200 0.004 0.000 0.934 375 S CB 0.185 63.474 63.200 0.149 0.000 0.778 375 S HN 1.390 nan 8.310 nan 0.000 0.517 376 G N 0.730 109.470 108.800 -0.100 0.000 2.940 376 G HA2 0.539 4.482 3.960 -0.029 0.000 0.164 376 G HA3 0.539 4.482 3.960 -0.029 0.000 0.164 376 G C -0.604 174.206 174.900 -0.149 0.000 1.326 376 G CA -0.443 44.575 45.100 -0.137 0.000 1.020 376 G HN 0.275 nan 8.290 nan 0.000 0.586 377 S N -0.864 114.751 115.700 -0.142 0.000 2.616 377 S HA 0.460 4.912 4.470 -0.029 0.000 0.277 377 S C 1.500 176.012 174.600 -0.146 0.000 1.234 377 S CA 0.051 58.156 58.200 -0.158 0.000 1.028 377 S CB 1.374 64.483 63.200 -0.152 0.000 0.988 377 S HN 0.804 nan 8.310 nan 0.000 0.522 378 G N 1.368 110.030 108.800 -0.231 0.000 2.453 378 G HA2 -0.012 3.930 3.960 -0.029 0.000 0.215 378 G HA3 -0.012 3.930 3.960 -0.029 0.000 0.215 378 G C 0.107 174.920 174.900 -0.144 0.000 1.201 378 G CA 0.716 45.678 45.100 -0.231 0.000 0.784 378 G HN 0.554 nan 8.290 nan 0.000 0.545 379 V N 1.075 120.910 119.914 -0.133 0.000 2.588 379 V HA 0.524 4.626 4.120 -0.029 0.000 0.304 379 V C -0.638 175.493 176.094 0.063 0.000 1.042 379 V CA -0.748 61.565 62.300 0.023 0.000 0.877 379 V CB 1.568 33.567 31.823 0.294 0.000 0.996 379 V HN 0.660 nan 8.190 nan 0.000 0.425 380 Q N 3.419 123.187 119.800 -0.052 0.000 2.379 380 Q HA 0.743 5.065 4.340 -0.029 0.000 0.278 380 Q C -2.120 173.810 176.000 -0.116 0.000 1.068 380 Q CA -0.727 55.117 55.803 0.068 0.000 0.816 380 Q CB 2.686 31.526 28.738 0.171 0.000 1.387 380 Q HN 0.459 nan 8.270 nan 0.000 0.413 381 F N 1.123 121.244 119.950 0.284 0.000 2.508 381 F HA 0.601 5.111 4.527 -0.029 0.000 0.325 381 F C -0.901 175.004 175.800 0.175 0.000 1.090 381 F CA -0.953 57.187 58.000 0.233 0.000 0.945 381 F CB 1.873 41.003 39.000 0.217 0.000 1.156 381 F HN 0.399 nan 8.300 nan 0.000 0.463 382 L N 2.406 123.752 121.223 0.205 0.000 2.406 382 L HA 0.524 4.847 4.340 -0.029 0.000 0.272 382 L C 0.187 177.056 176.870 -0.002 0.000 0.980 382 L CA -0.712 54.135 54.840 0.011 0.000 0.831 382 L CB 1.822 43.730 42.059 -0.253 0.000 1.253 382 L HN 0.614 nan 8.230 nan 0.000 0.406 383 R N 2.035 122.518 120.500 -0.028 0.000 3.333 383 R HA -0.206 4.116 4.340 -0.029 0.000 0.256 383 R C -0.722 175.603 176.300 0.042 0.000 1.010 383 R CA 0.373 56.312 56.100 -0.269 0.000 0.680 383 R CB -1.016 28.896 30.300 -0.647 0.000 1.102 383 R HN 0.807 nan 8.270 nan 0.000 0.440 384 N N 0.536 119.422 118.700 0.309 0.000 2.430 384 N HA 0.190 4.912 4.740 -0.029 0.000 0.292 384 N C -1.070 174.701 175.510 0.436 0.000 1.051 384 N CA -0.649 52.593 53.050 0.321 0.000 0.917 384 N CB 1.318 39.924 38.487 0.199 0.000 1.164 384 N HN 0.182 nan 8.380 nan 0.000 0.484 385 N N 0.597 119.487 118.700 0.317 0.000 2.504 385 N HA 0.241 4.963 4.740 -0.029 0.000 0.280 385 N C 0.348 175.830 175.510 -0.046 0.000 1.052 385 N CA -0.454 52.662 53.050 0.109 0.000 0.887 385 N CB 1.329 39.760 38.487 -0.093 0.000 1.323 385 N HN 0.659 nan 8.380 nan 0.000 0.509 386 G N 1.244 109.964 108.800 -0.132 0.000 2.848 386 G HA2 0.352 4.295 3.960 -0.029 0.000 0.208 386 G HA3 0.352 4.295 3.960 -0.029 0.000 0.208 386 G C 0.782 175.566 174.900 -0.194 0.000 1.152 386 G CA 0.352 45.335 45.100 -0.195 0.000 0.789 386 G HN 1.001 nan 8.290 nan 0.000 0.531 387 G N 0.109 108.779 108.800 -0.215 0.000 2.804 387 G HA2 -0.253 3.689 3.960 -0.029 0.000 0.230 387 G HA3 -0.253 3.689 3.960 -0.029 0.000 0.230 387 G C 0.486 175.250 174.900 -0.227 0.000 1.386 387 G CA 0.216 45.197 45.100 -0.199 0.000 0.875 387 G HN 0.250 nan 8.290 nan 0.000 0.557 388 E N 0.034 120.161 120.200 -0.120 0.000 2.265 388 E HA -0.023 4.310 4.350 -0.029 0.000 0.196 388 E C 2.759 179.415 176.600 0.093 0.000 0.996 388 E CA 1.825 58.208 56.400 -0.029 0.000 0.832 388 E CB -0.103 29.594 29.700 -0.004 0.000 0.756 388 E HN 0.783 nan 8.360 nan 0.000 0.491 389 S N -0.729 114.996 115.700 0.042 0.000 2.561 389 S HA -0.112 4.341 4.470 -0.029 0.000 0.225 389 S C -0.009 174.701 174.600 0.182 0.000 0.977 389 S CA 0.281 58.543 58.200 0.103 0.000 0.926 389 S CB -0.335 62.901 63.200 0.059 0.000 0.769 389 S HN 0.346 nan 8.310 nan 0.000 0.533 390 H N 0.893 119.950 119.070 -0.021 0.000 2.692 390 H HA -0.112 4.426 4.556 -0.029 0.000 0.316 390 H C -0.220 175.081 175.328 -0.045 0.000 1.176 390 H CA 0.707 56.735 56.048 -0.035 0.000 1.142 390 H CB -2.348 27.403 29.762 -0.018 0.000 1.475 390 H HN 0.430 nan 8.280 nan 0.000 0.423 391 N N 1.174 119.861 118.700 -0.022 0.000 3.034 391 N HA 0.430 5.152 4.740 -0.029 0.000 0.265 391 N C 0.265 175.579 175.510 -0.326 0.000 1.166 391 N CA 0.948 53.995 53.050 -0.004 0.000 1.081 391 N CB 0.178 38.700 38.487 0.060 0.000 1.378 391 N HN 0.714 nan 8.380 nan 0.000 0.520 392 G N -0.824 107.566 108.800 -0.684 0.000 2.340 392 G HA2 0.521 4.464 3.960 -0.029 0.000 0.298 392 G HA3 0.521 4.464 3.960 -0.029 0.000 0.298 392 G C -0.363 173.915 174.900 -1.036 0.000 1.498 392 G CA 0.029 44.402 45.100 -1.212 0.000 0.847 392 G HN 0.703 nan 8.290 nan 0.000 0.594 393 G N -2.042 106.178 108.800 -0.967 0.000 2.295 393 G HA2 0.433 4.375 3.960 -0.029 0.000 0.195 393 G HA3 0.433 4.375 3.960 -0.029 0.000 0.195 393 G C -1.294 173.516 174.900 -0.150 0.000 1.269 393 G CA 0.490 45.136 45.100 -0.757 0.000 1.170 393 G HN 1.847 nan 8.290 nan 0.000 0.511 394 V N 0.846 120.627 119.914 -0.221 0.000 2.525 394 V HA 0.711 4.813 4.120 -0.029 0.000 0.299 394 V C -0.228 175.873 176.094 0.012 0.000 1.034 394 V CA -0.404 61.919 62.300 0.039 0.000 0.863 394 V CB 1.391 33.255 31.823 0.069 0.000 0.999 394 V HN 0.715 nan 8.190 nan 0.000 0.423 395 I N 3.405 124.027 120.570 0.085 0.000 2.478 395 I HA 0.643 4.795 4.170 -0.029 0.000 0.287 395 I C 0.875 177.026 176.117 0.057 0.000 1.042 395 I CA -0.428 60.901 61.300 0.048 0.000 1.067 395 I CB 1.963 39.980 38.000 0.029 0.000 1.233 395 I HN 0.831 nan 8.210 nan 0.000 0.431 396 G N 4.197 113.029 108.800 0.054 0.000 2.160 396 G HA2 -0.166 3.777 3.960 -0.029 0.000 0.244 396 G HA3 -0.166 3.777 3.960 -0.029 0.000 0.244 396 G C -0.224 174.741 174.900 0.108 0.000 1.022 396 G CA -0.078 45.063 45.100 0.069 0.000 0.741 396 G HN 0.435 nan 8.290 nan 0.000 0.508 397 V N -0.041 119.960 119.914 0.145 0.000 2.630 397 V HA 0.815 4.917 4.120 -0.029 0.000 0.305 397 V C 0.534 176.838 176.094 0.351 0.000 1.046 397 V CA -0.257 62.191 62.300 0.247 0.000 0.934 397 V CB 2.010 34.052 31.823 0.365 0.000 1.003 397 V HN 0.291 nan 8.190 nan 0.000 0.451 398 T N 2.354 117.105 114.554 0.329 0.000 2.829 398 T HA 0.481 4.814 4.350 -0.029 0.000 0.280 398 T C -0.399 174.464 174.700 0.270 0.000 0.999 398 T CA -0.371 61.928 62.100 0.331 0.000 0.983 398 T CB 1.563 70.555 68.868 0.206 0.000 0.968 398 T HN 0.733 nan 8.240 nan 0.000 0.446 399 S N 2.194 117.994 115.700 0.167 0.000 2.473 399 S HA 0.666 5.118 4.470 -0.029 0.000 0.307 399 S C -1.758 172.893 174.600 0.085 0.000 1.094 399 S CA -0.744 57.442 58.200 -0.024 0.000 1.070 399 S CB 0.661 63.587 63.200 -0.456 0.000 1.019 399 S HN 0.676 nan 8.310 nan 0.000 0.480 400 W N 5.175 126.379 121.300 -0.160 0.000 2.739 400 W HA 0.574 5.217 4.660 -0.030 0.000 0.331 400 W C 0.182 176.440 176.519 -0.434 0.000 1.049 400 W CA -0.828 56.331 57.345 -0.311 0.000 1.234 400 W CB 0.714 29.870 29.460 -0.506 0.000 1.404 400 W HN 0.925 nan 8.180 nan 0.000 0.477 401 R N 3.114 123.122 120.500 -0.819 0.000 3.416 401 R HA -0.187 4.135 4.340 -0.029 0.000 0.263 401 R C 0.091 176.197 176.300 -0.324 0.000 1.053 401 R CA 0.807 56.400 56.100 -0.845 0.000 0.705 401 R CB -1.783 27.286 30.300 -2.052 0.000 1.124 401 R HN 0.550 nan 8.270 nan 0.000 0.444 402 A N 0.009 122.723 122.820 -0.177 0.000 2.520 402 A HA 0.344 4.647 4.320 -0.029 0.000 0.245 402 A C 1.649 179.170 177.584 -0.106 0.000 1.072 402 A CA 0.554 52.516 52.037 -0.126 0.000 0.761 402 A CB 0.464 19.373 19.000 -0.151 0.000 1.004 402 A HN 0.485 nan 8.150 nan 0.000 0.499 403 G N 1.065 109.688 108.800 -0.295 0.000 2.448 403 G HA2 -0.076 3.866 3.960 -0.029 0.000 0.219 403 G HA3 -0.076 3.866 3.960 -0.029 0.000 0.219 403 G C 0.990 175.751 174.900 -0.232 0.000 1.127 403 G CA 1.270 45.964 45.100 -0.678 0.000 0.766 403 G HN 0.862 nan 8.290 nan 0.000 0.552 404 E N -0.977 119.127 120.200 -0.160 0.000 3.332 404 E HA 0.368 4.701 4.350 -0.029 0.000 0.315 404 E C -0.058 176.527 176.600 -0.025 0.000 0.803 404 E CA -0.300 56.011 56.400 -0.147 0.000 1.261 404 E CB 0.650 30.155 29.700 -0.325 0.000 2.649 404 E HN 0.188 nan 8.360 nan 0.000 0.554 405 S N -1.092 114.537 115.700 -0.118 0.000 2.600 405 S HA 0.437 4.889 4.470 -0.029 0.000 0.300 405 S C 0.525 174.995 174.600 -0.217 0.000 1.087 405 S CA -0.335 57.805 58.200 -0.099 0.000 0.965 405 S CB 1.624 64.770 63.200 -0.091 0.000 1.089 405 S HN 0.572 nan 8.310 nan 0.000 0.496 406 G N 0.729 109.354 108.800 -0.293 0.000 2.453 406 G HA2 0.014 3.957 3.960 -0.029 0.000 0.215 406 G HA3 0.014 3.957 3.960 -0.029 0.000 0.215 406 G C -0.253 174.044 174.900 -1.004 0.000 1.201 406 G CA 1.084 45.773 45.100 -0.686 0.000 0.784 406 G HN 0.491 nan 8.290 nan 0.000 0.545 407 F N -0.634 119.168 119.950 -0.246 0.000 2.561 407 F HA 0.596 5.105 4.527 -0.029 0.000 0.313 407 F C -0.066 175.698 175.800 -0.060 0.000 1.126 407 F CA -1.010 56.929 58.000 -0.102 0.000 0.918 407 F CB 2.551 41.455 39.000 -0.160 0.000 1.199 407 F HN -0.137 nan 8.300 nan 0.000 0.444 408 K N 1.814 122.338 120.400 0.206 0.000 2.507 408 K HA 0.499 4.801 4.320 -0.029 0.000 0.251 408 K C -1.158 175.584 176.600 0.236 0.000 0.943 408 K CA -0.558 55.786 56.287 0.094 0.000 0.794 408 K CB 1.796 34.271 32.500 -0.042 0.000 1.188 408 K HN 0.744 nan 8.250 nan 0.000 0.428 409 T N 1.024 115.657 114.554 0.131 0.000 2.744 409 T HA 0.251 4.584 4.350 -0.029 0.000 0.291 409 T C -0.021 174.778 174.700 0.165 0.000 0.957 409 T CA -0.506 61.721 62.100 0.212 0.000 1.002 409 T CB 0.095 69.018 68.868 0.091 0.000 0.919 409 T HN 0.330 nan 8.240 nan 0.000 0.468 410 Y N 2.451 122.812 120.300 0.101 0.000 2.578 410 Y HA 0.207 4.739 4.550 -0.029 0.000 0.339 410 Y C 1.120 177.035 175.900 0.025 0.000 1.231 410 Y CA 0.348 58.470 58.100 0.037 0.000 1.461 410 Y CB 0.618 39.095 38.460 0.028 0.000 1.323 410 Y HN 0.667 nan 8.280 nan 0.000 0.590 411 Q N 1.279 121.127 119.800 0.081 0.000 2.266 411 Q HA 0.546 4.868 4.340 -0.029 0.000 0.261 411 Q C 0.509 176.552 176.000 0.072 0.000 0.985 411 Q CA 0.148 55.979 55.803 0.047 0.000 0.873 411 Q CB 1.899 30.619 28.738 -0.030 0.000 1.306 411 Q HN 0.947 nan 8.270 nan 0.000 0.447 412 G N 1.010 109.839 108.800 0.048 0.000 2.512 412 G HA2 -0.237 3.706 3.960 -0.029 0.000 0.254 412 G HA3 -0.237 3.706 3.960 -0.029 0.000 0.254 412 G C -0.548 174.391 174.900 0.064 0.000 1.199 412 G CA -0.262 44.858 45.100 0.033 0.000 0.941 412 G HN 0.610 nan 8.290 nan 0.000 0.569 413 S N -1.206 114.521 115.700 0.044 0.000 2.568 413 S HA 0.737 5.190 4.470 -0.029 0.000 0.302 413 S C -0.398 174.213 174.600 0.017 0.000 1.082 413 S CA -0.251 57.966 58.200 0.029 0.000 1.009 413 S CB 2.155 65.369 63.200 0.024 0.000 1.069 413 S HN 1.229 nan 8.310 nan 0.000 0.500 414 V N 1.272 121.174 119.914 -0.021 0.000 2.638 414 V HA 0.662 4.764 4.120 -0.029 0.000 0.306 414 V C 0.732 176.795 176.094 -0.052 0.000 1.052 414 V CA -0.101 62.172 62.300 -0.045 0.000 0.885 414 V CB 1.142 32.898 31.823 -0.112 0.000 0.999 414 V HN 1.242 nan 8.190 nan 0.000 0.424 415 G N 3.278 112.054 108.800 -0.039 0.000 2.225 415 G HA2 0.047 3.989 3.960 -0.029 0.000 0.267 415 G HA3 0.047 3.989 3.960 -0.029 0.000 0.267 415 G C 1.191 176.075 174.900 -0.026 0.000 1.024 415 G CA 0.884 45.962 45.100 -0.036 0.000 0.784 415 G HN 2.430 nan 8.290 nan 0.000 0.507 416 G N -2.571 106.220 108.800 -0.015 0.000 2.176 416 G HA2 0.279 4.221 3.960 -0.029 0.000 0.253 416 G HA3 0.279 4.221 3.960 -0.029 0.000 0.253 416 G C 1.161 176.061 174.900 0.000 0.000 0.979 416 G CA 1.000 46.098 45.100 -0.004 0.000 0.641 416 G HN 2.331 nan 8.290 nan 0.000 0.530 417 G N -1.587 107.205 108.800 -0.013 0.000 2.642 417 G HA2 0.682 4.624 3.960 -0.029 0.000 0.293 417 G HA3 0.682 4.624 3.960 -0.029 0.000 0.293 417 G C -0.301 174.586 174.900 -0.022 0.000 1.341 417 G CA 0.536 45.628 45.100 -0.013 0.000 0.916 417 G HN 0.794 nan 8.290 nan 0.000 0.474 418 T N -0.650 113.901 114.554 -0.004 0.000 2.932 418 T HA 0.406 4.738 4.350 -0.029 0.000 0.312 418 T C 1.180 175.837 174.700 -0.070 0.000 1.071 418 T CA 0.822 62.933 62.100 0.019 0.000 1.128 418 T CB 0.730 69.672 68.868 0.124 0.000 0.984 418 T HN 1.135 nan 8.240 nan 0.000 0.549 419 A N 4.849 127.662 122.820 -0.013 0.000 2.538 419 A HA 0.344 4.646 4.320 -0.029 0.000 0.269 419 A C 0.974 178.604 177.584 0.076 0.000 1.231 419 A CA -0.352 51.661 52.037 -0.040 0.000 0.948 419 A CB 0.176 19.154 19.000 -0.038 0.000 1.110 419 A HN 0.808 nan 8.150 nan 0.000 0.529 420 R N 0.595 121.176 120.500 0.136 0.000 2.738 420 R HA 0.380 4.702 4.340 -0.029 0.000 0.275 420 R C -0.617 175.874 176.300 0.319 0.000 1.121 420 R CA -0.070 56.150 56.100 0.199 0.000 1.207 420 R CB 0.278 30.683 30.300 0.176 0.000 1.141 420 R HN 0.375 nan 8.270 nan 0.000 0.571 421 N N -0.165 118.657 118.700 0.204 0.000 2.329 421 N HA 0.340 5.062 4.740 -0.029 0.000 0.282 421 N C -1.619 173.922 175.510 0.052 0.000 1.198 421 N CA -0.538 52.704 53.050 0.319 0.000 0.790 421 N CB 2.080 40.742 38.487 0.292 0.000 1.579 421 N HN 0.358 nan 8.380 nan 0.000 0.475 422 Y N -0.097 120.326 120.300 0.205 0.000 2.534 422 Y HA 0.311 4.843 4.550 -0.029 0.000 0.345 422 Y C 0.110 175.956 175.900 -0.091 0.000 1.031 422 Y CA -0.739 57.322 58.100 -0.064 0.000 1.022 422 Y CB 1.371 39.710 38.460 -0.202 0.000 1.292 422 Y HN 0.496 nan 8.280 nan 0.000 0.459 423 N N 1.446 120.092 118.700 -0.090 0.000 2.756 423 N HA -0.183 4.539 4.740 -0.029 0.000 0.248 423 N C -1.454 173.982 175.510 -0.123 0.000 1.062 423 N CA 0.715 53.578 53.050 -0.313 0.000 0.696 423 N CB -1.052 37.099 38.487 -0.560 0.000 0.946 423 N HN 0.537 nan 8.380 nan 0.000 0.548 424 L N 0.434 121.811 121.223 0.258 0.000 2.334 424 L HA 0.345 4.668 4.340 -0.029 0.000 0.272 424 L C 0.933 177.753 176.870 -0.084 0.000 1.020 424 L CA -0.721 54.054 54.840 -0.108 0.000 0.812 424 L CB 1.394 43.181 42.059 -0.453 0.000 1.264 424 L HN -0.010 nan 8.230 nan 0.000 0.439 425 Q N 1.407 121.002 119.800 -0.342 0.000 2.259 425 Q HA 0.445 4.767 4.340 -0.029 0.000 0.249 425 Q C -1.587 173.974 176.000 -0.733 0.000 0.914 425 Q CA -0.129 55.504 55.803 -0.283 0.000 0.904 425 Q CB 1.567 30.236 28.738 -0.115 0.000 1.213 425 Q HN 0.320 nan 8.270 nan 0.000 0.428 426 F N 1.981 121.916 119.950 -0.026 0.000 2.810 426 F HA 0.426 4.935 4.527 -0.029 0.000 0.373 426 F C -0.247 175.498 175.800 -0.092 0.000 1.174 426 F CA -0.547 57.424 58.000 -0.048 0.000 1.141 426 F CB 1.064 40.038 39.000 -0.044 0.000 1.420 426 F HN 0.230 nan 8.300 nan 0.000 0.518 427 R N 1.244 121.756 120.500 0.019 0.000 2.673 427 R HA 0.384 4.706 4.340 -0.029 0.000 0.281 427 R C -1.042 175.264 176.300 0.009 0.000 0.991 427 R CA -1.078 55.021 56.100 -0.002 0.000 0.896 427 R CB 1.975 32.270 30.300 -0.007 0.000 1.201 427 R HN 0.429 nan 8.270 nan 0.000 0.457 428 D N 0.317 120.722 120.400 0.008 0.000 2.772 428 D HA -0.143 4.480 4.640 -0.029 0.000 0.233 428 D C -0.904 175.434 176.300 0.063 0.000 1.143 428 D CA 1.268 55.286 54.000 0.030 0.000 0.700 428 D CB -0.875 39.939 40.800 0.023 0.000 1.076 428 D HN 0.393 nan 8.370 nan 0.000 0.430 429 S N -1.176 114.579 115.700 0.091 0.000 2.634 429 S HA 0.812 5.264 4.470 -0.029 0.000 0.296 429 S C -0.157 174.637 174.600 0.325 0.000 1.104 429 S CA -0.747 57.548 58.200 0.158 0.000 0.920 429 S CB 3.221 66.424 63.200 0.006 0.000 1.111 429 S HN 0.005 nan 8.310 nan 0.000 0.493 430 V N 1.267 121.410 119.914 0.383 0.000 2.623 430 V HA 0.786 4.888 4.120 -0.029 0.000 0.304 430 V C -0.569 175.799 176.094 0.457 0.000 1.054 430 V CA -0.683 61.851 62.300 0.391 0.000 0.882 430 V CB 1.506 33.479 31.823 0.250 0.000 1.002 430 V HN 1.007 nan 8.190 nan 0.000 0.424 431 A N 6.053 129.123 122.820 0.416 0.000 2.318 431 A HA 0.934 5.236 4.320 -0.029 0.000 0.317 431 A C -1.038 176.678 177.584 0.220 0.000 1.159 431 A CA -0.467 51.718 52.037 0.247 0.000 0.799 431 A CB 0.875 19.942 19.000 0.111 0.000 1.194 431 A HN 0.793 nan 8.150 nan 0.000 0.479 432 L N 1.834 123.172 121.223 0.191 0.000 2.356 432 L HA 0.407 4.730 4.340 -0.029 0.000 0.277 432 L C 0.401 177.378 176.870 0.177 0.000 0.996 432 L CA -0.658 54.319 54.840 0.229 0.000 0.822 432 L CB 1.852 44.090 42.059 0.297 0.000 1.256 432 L HN 0.883 nan 8.230 nan 0.000 0.413 433 S N 1.318 117.146 115.700 0.214 0.000 3.614 433 S HA -0.101 4.351 4.470 -0.029 0.000 0.360 433 S C -2.154 172.654 174.600 0.346 0.000 1.023 433 S CA 0.013 58.373 58.200 0.267 0.000 1.114 433 S CB -1.588 61.549 63.200 -0.104 0.000 0.907 433 S HN 0.531 nan 8.310 nan 0.000 0.470 434 P HA 0.248 nan 4.420 nan 0.000 0.275 434 P C 1.057 178.540 177.300 0.305 0.000 1.228 434 P CA -0.384 62.850 63.100 0.222 0.000 0.786 434 P CB 0.996 32.748 31.700 0.087 0.000 0.927 435 V N 1.247 121.320 119.914 0.265 0.000 2.407 435 V HA -0.171 3.931 4.120 -0.029 0.000 0.248 435 V C 1.468 177.384 176.094 -0.297 0.000 1.055 435 V CA 1.865 64.156 62.300 -0.014 0.000 1.049 435 V CB -1.043 30.851 31.823 0.119 0.000 0.662 435 V HN 0.587 nan 8.190 nan 0.000 0.455 436 W N -0.792 120.395 121.300 -0.189 0.000 4.087 436 W HA 0.328 4.971 4.660 -0.029 0.000 0.322 436 W C 0.328 176.752 176.519 -0.159 0.000 2.862 436 W CA 0.004 57.222 57.345 -0.212 0.000 1.611 436 W CB -0.573 28.767 29.460 -0.200 0.000 1.953 436 W HN -0.038 nan 8.180 nan 0.000 0.434 437 D N -0.966 119.524 120.400 0.150 0.000 2.272 437 D HA 0.355 4.978 4.640 -0.029 0.000 0.247 437 D C 1.094 177.433 176.300 0.064 0.000 0.990 437 D CA -0.114 53.932 54.000 0.077 0.000 0.931 437 D CB 1.437 42.283 40.800 0.076 0.000 1.195 437 D HN 0.193 nan 8.370 nan 0.000 0.477 438 G N 0.094 108.962 108.800 0.114 0.000 2.496 438 G HA2 -0.069 3.873 3.960 -0.029 0.000 0.214 438 G HA3 -0.069 3.873 3.960 -0.029 0.000 0.214 438 G C -0.021 174.884 174.900 0.009 0.000 1.234 438 G CA 0.537 45.712 45.100 0.126 0.000 0.807 438 G HN 0.354 nan 8.290 nan 0.000 0.543 439 F N 0.549 120.581 119.950 0.136 0.000 2.449 439 F HA 0.426 4.935 4.527 -0.029 0.000 0.342 439 F C -0.885 174.904 175.800 -0.018 0.000 1.127 439 F CA -1.458 56.592 58.000 0.083 0.000 0.975 439 F CB 2.157 41.155 39.000 -0.002 0.000 1.146 439 F HN -0.046 nan 8.300 nan 0.000 0.444 440 D N 4.906 125.348 120.400 0.070 0.000 2.477 440 D HA 0.314 4.936 4.640 -0.029 0.000 0.239 440 D C -0.031 176.240 176.300 -0.049 0.000 1.102 440 D CA -0.064 53.940 54.000 0.006 0.000 0.901 440 D CB 0.557 41.335 40.800 -0.037 0.000 1.026 440 D HN 0.551 nan 8.370 nan 0.000 0.515 441 L N 2.267 123.458 121.223 -0.053 0.000 2.769 441 L HA 0.411 4.733 4.340 -0.029 0.000 0.240 441 L C 1.423 178.310 176.870 0.028 0.000 1.163 441 L CA -0.636 54.142 54.840 -0.104 0.000 0.962 441 L CB 0.541 42.480 42.059 -0.200 0.000 1.258 441 L HN 0.278 nan 8.230 nan 0.000 0.513 442 G N -0.485 108.337 108.800 0.036 0.000 2.634 442 G HA2 0.267 4.209 3.960 -0.029 0.000 0.255 442 G HA3 0.267 4.209 3.960 -0.029 0.000 0.255 442 G C 0.533 175.469 174.900 0.060 0.000 1.205 442 G CA -0.136 45.005 45.100 0.069 0.000 0.884 442 G HN 0.092 nan 8.290 nan 0.000 0.549 443 S N -0.755 114.978 115.700 0.054 0.000 2.564 443 S HA 0.162 4.614 4.470 -0.029 0.000 0.231 443 S C 0.103 174.711 174.600 0.014 0.000 1.067 443 S CA -0.008 58.203 58.200 0.018 0.000 0.908 443 S CB 0.377 63.545 63.200 -0.054 0.000 0.809 443 S HN 0.580 nan 8.310 nan 0.000 0.491 444 D N 2.716 123.115 120.400 -0.002 0.000 2.192 444 D HA 0.382 5.004 4.640 -0.029 0.000 0.246 444 D C -2.698 173.533 176.300 -0.115 0.000 1.042 444 D CA -1.696 52.227 54.000 -0.128 0.000 0.847 444 D CB 1.609 42.221 40.800 -0.313 0.000 1.186 444 D HN 0.097 nan 8.370 nan 0.000 0.461 445 P HA 0.130 nan 4.420 nan 0.000 0.278 445 P C 0.917 178.177 177.300 -0.067 0.000 1.238 445 P CA -0.355 62.687 63.100 -0.098 0.000 0.794 445 P CB 1.145 32.767 31.700 -0.129 0.000 0.955 446 G N 1.695 110.512 108.800 0.028 0.000 2.418 446 G HA2 -0.261 3.681 3.960 -0.029 0.000 0.217 446 G HA3 -0.261 3.681 3.960 -0.029 0.000 0.217 446 G C 1.230 176.138 174.900 0.014 0.000 1.158 446 G CA 0.669 45.816 45.100 0.080 0.000 0.771 446 G HN 0.382 nan 8.290 nan 0.000 0.545 447 M N 0.658 120.238 119.600 -0.034 0.000 2.557 447 M HA 0.464 4.926 4.480 -0.029 0.000 0.259 447 M C 1.637 177.886 176.300 -0.085 0.000 1.086 447 M CA 0.441 55.716 55.300 -0.041 0.000 1.096 447 M CB -0.286 32.293 32.600 -0.034 0.000 1.424 447 M HN 0.500 nan 8.290 nan 0.000 0.488 448 A N 0.898 123.610 122.820 -0.180 0.000 2.312 448 A HA -0.144 4.158 4.320 -0.029 0.000 0.286 448 A C -1.225 176.256 177.584 -0.171 0.000 1.425 448 A CA 0.630 52.483 52.037 -0.307 0.000 0.748 448 A CB -1.968 16.834 19.000 -0.330 0.000 1.126 448 A HN 0.556 nan 8.150 nan 0.000 0.368 449 P HA 0.075 nan 4.420 nan 0.000 0.245 449 P C 0.135 177.420 177.300 -0.025 0.000 1.212 449 P CA 1.129 64.195 63.100 -0.056 0.000 0.774 449 P CB 0.029 31.702 31.700 -0.045 0.000 0.999 450 E N 0.154 120.338 120.200 -0.026 0.000 2.367 450 E HA 0.380 4.713 4.350 -0.029 0.000 0.273 450 E C -2.530 174.174 176.600 0.173 0.000 0.903 450 E CA -2.287 54.147 56.400 0.057 0.000 0.764 450 E CB 1.328 31.065 29.700 0.062 0.000 1.252 450 E HN -0.224 nan 8.360 nan 0.000 0.446 451 P HA 0.151 nan 4.420 nan 0.000 0.251 451 P C -0.586 176.857 177.300 0.238 0.000 1.223 451 P CA 0.630 63.890 63.100 0.267 0.000 0.796 451 P CB 0.544 32.320 31.700 0.126 0.000 1.068 452 D N -0.303 120.240 120.400 0.238 0.000 2.837 452 D HA 0.345 4.967 4.640 -0.029 0.000 0.294 452 D C -0.522 175.902 176.300 0.207 0.000 1.158 452 D CA -0.605 53.470 54.000 0.124 0.000 1.073 452 D CB 1.707 42.531 40.800 0.040 0.000 1.419 452 D HN -0.255 nan 8.370 nan 0.000 0.584 453 R N 0.961 121.544 120.500 0.139 0.000 2.513 453 R HA 0.364 4.687 4.340 -0.029 0.000 0.283 453 R C -2.349 174.023 176.300 0.121 0.000 1.535 453 R CA -1.465 54.732 56.100 0.161 0.000 1.315 453 R CB 1.711 32.119 30.300 0.180 0.000 1.163 453 R HN 0.093 nan 8.270 nan 0.000 0.573 454 P HA 0.006 nan 4.420 nan 0.000 0.263 454 P C 0.869 178.225 177.300 0.092 0.000 1.195 454 P CA 0.848 63.995 63.100 0.078 0.000 0.762 454 P CB 0.826 32.560 31.700 0.056 0.000 0.799 455 G N 1.406 110.266 108.800 0.101 0.000 2.179 455 G HA2 -0.193 3.750 3.960 -0.029 0.000 0.260 455 G HA3 -0.193 3.750 3.960 -0.029 0.000 0.260 455 G C 0.057 175.096 174.900 0.232 0.000 0.977 455 G CA 0.174 45.354 45.100 0.133 0.000 0.641 455 G HN 0.595 nan 8.290 nan 0.000 0.533 456 D N -1.092 119.436 120.400 0.213 0.000 2.758 456 D HA 0.574 5.196 4.640 -0.029 0.000 0.279 456 D C 0.650 177.054 176.300 0.173 0.000 1.111 456 D CA -0.699 53.462 54.000 0.269 0.000 1.109 456 D CB 0.973 41.967 40.800 0.323 0.000 1.428 456 D HN 0.107 nan 8.370 nan 0.000 0.586 457 L N 2.309 123.636 121.223 0.174 0.000 2.453 457 L HA 0.230 4.552 4.340 -0.029 0.000 0.272 457 L C -1.719 175.224 176.870 0.121 0.000 1.182 457 L CA -1.160 53.765 54.840 0.141 0.000 0.858 457 L CB 0.420 42.600 42.059 0.201 0.000 1.120 457 L HN 0.199 nan 8.230 nan 0.000 0.474 458 P HA 0.027 nan 4.420 nan 0.000 0.274 458 P C 0.789 178.062 177.300 -0.045 0.000 1.237 458 P CA -0.387 62.717 63.100 0.007 0.000 0.793 458 P CB 1.281 32.972 31.700 -0.014 0.000 0.977 459 V N 1.599 121.426 119.914 -0.146 0.000 2.626 459 V HA -0.209 3.893 4.120 -0.029 0.000 0.252 459 V C 2.626 178.601 176.094 -0.199 0.000 1.067 459 V CA 2.596 64.729 62.300 -0.279 0.000 1.081 459 V CB -1.521 29.997 31.823 -0.508 0.000 0.686 459 V HN 0.715 nan 8.190 nan 0.000 0.468 460 S N -0.203 115.409 115.700 -0.147 0.000 2.419 460 S HA -0.248 4.205 4.470 -0.029 0.000 0.233 460 S C 1.860 176.359 174.600 -0.169 0.000 1.016 460 S CA 1.681 59.800 58.200 -0.135 0.000 0.974 460 S CB -0.234 62.907 63.200 -0.100 0.000 0.786 460 S HN 0.768 nan 8.310 nan 0.000 0.492 461 E N -0.227 119.862 120.200 -0.186 0.000 2.102 461 E HA 0.072 4.404 4.350 -0.029 0.000 0.190 461 E C -0.722 175.514 176.600 -0.606 0.000 0.971 461 E CA 0.409 56.603 56.400 -0.344 0.000 0.821 461 E CB 0.276 29.822 29.700 -0.256 0.000 0.777 461 E HN 0.635 nan 8.360 nan 0.000 0.460 462 Y N 0.441 120.684 120.300 -0.096 0.000 2.331 462 Y HA 0.361 4.893 4.550 -0.029 0.000 0.326 462 Y C -2.372 173.428 175.900 -0.166 0.000 1.020 462 Y CA -3.015 55.024 58.100 -0.101 0.000 1.136 462 Y CB 1.689 40.120 38.460 -0.049 0.000 1.157 462 Y HN 0.039 nan 8.280 nan 0.000 0.444 463 P HA -0.030 nan 4.420 nan 0.000 0.270 463 P C -0.420 176.816 177.300 -0.107 0.000 1.227 463 P CA -0.061 62.940 63.100 -0.165 0.000 0.788 463 P CB 0.527 32.149 31.700 -0.129 0.000 0.926 464 F N 1.761 121.662 119.950 -0.083 0.000 2.607 464 F HA 0.002 4.512 4.527 -0.030 0.000 0.374 464 F C 1.816 177.489 175.800 -0.212 0.000 1.104 464 F CA 1.208 59.080 58.000 -0.214 0.000 1.296 464 F CB -0.741 38.081 39.000 -0.296 0.000 1.085 464 F HN 0.536 nan 8.300 nan 0.000 0.584 465 H N 0.828 119.972 119.070 0.122 0.000 3.428 465 H HA -0.177 4.361 4.556 -0.029 0.000 0.204 465 H C 0.623 176.010 175.328 0.098 0.000 1.078 465 H CA 1.078 57.120 56.048 -0.009 0.000 1.183 465 H CB -1.252 28.288 29.762 -0.370 0.000 1.132 465 H HN 0.766 nan 8.280 nan 0.000 0.323 466 Q N 0.471 120.339 119.800 0.113 0.000 2.155 466 Q HA 0.318 4.640 4.340 -0.029 0.000 0.220 466 Q C 0.548 176.562 176.000 0.023 0.000 0.819 466 Q CA -0.215 55.635 55.803 0.078 0.000 1.032 466 Q CB 1.196 29.903 28.738 -0.051 0.000 1.151 466 Q HN 0.267 nan 8.270 nan 0.000 0.487 467 L N 3.665 124.858 121.223 -0.051 0.000 2.485 467 L HA 0.089 4.412 4.340 -0.029 0.000 0.275 467 L C -1.694 175.003 176.870 -0.287 0.000 1.207 467 L CA -1.280 53.406 54.840 -0.257 0.000 0.855 467 L CB 0.197 42.180 42.059 -0.127 0.000 1.114 467 L HN -0.076 nan 8.230 nan 0.000 0.485 468 P HA 0.059 nan 4.420 nan 0.000 0.225 468 P C -0.444 176.808 177.300 -0.080 0.000 1.813 468 P CA -0.346 62.619 63.100 -0.225 0.000 1.013 468 P CB -0.162 31.370 31.700 -0.281 0.000 1.961 469 N N 1.351 119.939 118.700 -0.188 0.000 2.244 469 N HA -0.204 4.518 4.740 -0.029 0.000 0.183 469 N C 0.867 176.114 175.510 -0.440 0.000 1.016 469 N CA 0.577 53.387 53.050 -0.400 0.000 0.866 469 N CB -1.337 36.837 38.487 -0.521 0.000 0.980 469 N HN 0.054 nan 8.380 nan 0.000 0.430 470 N N 0.344 118.901 118.700 -0.238 0.000 2.727 470 N HA -0.213 4.510 4.740 -0.029 0.000 0.249 470 N C -1.351 174.173 175.510 0.023 0.000 1.048 470 N CA 0.461 53.475 53.050 -0.060 0.000 0.714 470 N CB -1.658 36.857 38.487 0.046 0.000 0.959 470 N HN 0.498 nan 8.380 nan 0.000 0.544 471 H N -0.036 119.126 119.070 0.153 0.000 2.707 471 H HA 0.212 4.750 4.556 -0.029 0.000 0.359 471 H C 0.460 175.899 175.328 0.186 0.000 1.113 471 H CA -0.221 55.959 56.048 0.220 0.000 1.422 471 H CB 0.789 30.709 29.762 0.262 0.000 1.443 471 H HN 0.212 nan 8.280 nan 0.000 0.591 472 L N 3.867 125.278 121.223 0.313 0.000 2.270 472 L HA 0.197 4.520 4.340 -0.029 0.000 0.286 472 L C -0.880 176.064 176.870 0.124 0.000 1.059 472 L CA -0.299 54.598 54.840 0.096 0.000 0.839 472 L CB 0.038 42.059 42.059 -0.063 0.000 1.221 472 L HN 0.262 nan 8.230 nan 0.000 0.431 473 V N 4.889 124.861 119.914 0.097 0.000 2.334 473 V HA 0.537 4.640 4.120 -0.029 0.000 0.281 473 V C -0.712 175.379 176.094 -0.006 0.000 1.016 473 V CA -0.463 61.872 62.300 0.058 0.000 0.832 473 V CB 1.363 33.205 31.823 0.031 0.000 0.999 473 V HN 0.796 nan 8.190 nan 0.000 0.439 474 D N 3.680 124.064 120.400 -0.028 0.000 2.886 474 D HA 0.373 4.996 4.640 -0.029 0.000 0.216 474 D C -0.319 175.956 176.300 -0.043 0.000 1.256 474 D CA -0.317 53.664 54.000 -0.032 0.000 0.844 474 D CB 1.090 41.876 40.800 -0.024 0.000 1.669 474 D HN 0.390 nan 8.370 nan 0.000 0.513 475 N N 1.970 120.648 118.700 -0.037 0.000 2.726 475 N HA -0.161 4.561 4.740 -0.029 0.000 0.253 475 N C -0.673 174.815 175.510 -0.037 0.000 1.059 475 N CA 1.290 54.325 53.050 -0.024 0.000 0.701 475 N CB -1.387 37.095 38.487 -0.008 0.000 0.899 475 N HN 0.607 nan 8.380 nan 0.000 0.548 476 I N -3.084 117.434 120.570 -0.086 0.000 2.693 476 I HA 0.791 4.944 4.170 -0.029 0.000 0.303 476 I C -0.315 175.797 176.117 -0.009 0.000 1.025 476 I CA -1.264 59.964 61.300 -0.121 0.000 1.086 476 I CB 1.940 39.608 38.000 -0.554 0.000 1.268 476 I HN -0.031 nan 8.210 nan 0.000 0.440 477 L N 5.410 126.712 121.223 0.132 0.000 2.436 477 L HA 0.766 5.089 4.340 -0.029 0.000 0.268 477 L C -1.415 175.630 176.870 0.292 0.000 0.974 477 L CA -0.418 54.525 54.840 0.172 0.000 0.826 477 L CB 2.007 44.154 42.059 0.147 0.000 1.291 477 L HN 0.563 nan 8.230 nan 0.000 0.406 478 V N 5.673 125.735 119.914 0.246 0.000 2.656 478 V HA 0.662 4.765 4.120 -0.029 0.000 0.307 478 V C -0.289 175.929 176.094 0.206 0.000 1.051 478 V CA -0.464 62.000 62.300 0.273 0.000 0.893 478 V CB 1.910 33.910 31.823 0.295 0.000 0.999 478 V HN 0.833 nan 8.190 nan 0.000 0.426 479 M N 2.967 122.694 119.600 0.212 0.000 2.433 479 M HA 0.491 4.953 4.480 -0.029 0.000 0.290 479 M C 0.117 176.570 176.300 0.254 0.000 1.173 479 M CA -0.668 54.757 55.300 0.208 0.000 0.905 479 M CB 1.956 34.663 32.600 0.177 0.000 1.692 479 M HN 0.712 nan 8.290 nan 0.000 0.462 480 N N 0.902 119.786 118.700 0.308 0.000 2.747 480 N HA -0.134 4.588 4.740 -0.029 0.000 0.249 480 N C -0.735 175.077 175.510 0.502 0.000 1.107 480 N CA 0.925 54.242 53.050 0.445 0.000 0.707 480 N CB -0.580 38.152 38.487 0.408 0.000 1.054 480 N HN 0.836 nan 8.380 nan 0.000 0.555 481 S N -0.933 114.945 115.700 0.297 0.000 2.562 481 S HA 0.252 4.705 4.470 -0.029 0.000 0.281 481 S C 1.359 175.935 174.600 -0.040 0.000 1.333 481 S CA -0.442 57.866 58.200 0.180 0.000 1.052 481 S CB 1.674 64.921 63.200 0.079 0.000 0.884 481 S HN 0.318 nan 8.310 nan 0.000 0.506 482 L N 3.126 124.148 121.223 -0.335 0.000 2.307 482 L HA 0.324 4.646 4.340 -0.029 0.000 0.211 482 L C 1.665 178.137 176.870 -0.664 0.000 1.099 482 L CA 1.661 56.032 54.840 -0.781 0.000 0.816 482 L CB -1.074 40.077 42.059 -1.513 0.000 0.952 482 L HN 0.949 nan 8.230 nan 0.000 0.455 483 G N -1.124 107.355 108.800 -0.535 0.000 2.672 483 G HA2 0.305 4.248 3.960 -0.029 0.000 0.200 483 G HA3 0.305 4.248 3.960 -0.029 0.000 0.200 483 G C -0.540 174.147 174.900 -0.356 0.000 1.819 483 G CA 0.332 45.121 45.100 -0.519 0.000 0.902 483 G HN -0.026 nan 8.290 nan 0.000 0.512 484 V N 0.468 120.273 119.914 -0.181 0.000 2.656 484 V HA 0.550 4.653 4.120 -0.029 0.000 0.307 484 V C 1.413 177.497 176.094 -0.017 0.000 1.051 484 V CA -0.024 62.210 62.300 -0.109 0.000 0.893 484 V CB 1.331 33.108 31.823 -0.076 0.000 0.999 484 V HN 0.652 nan 8.190 nan 0.000 0.426 485 G N 3.501 112.308 108.800 0.012 0.000 2.453 485 G HA2 -0.072 3.870 3.960 -0.029 0.000 0.215 485 G HA3 -0.072 3.870 3.960 -0.029 0.000 0.215 485 G C 0.278 175.265 174.900 0.146 0.000 1.201 485 G CA 0.959 46.114 45.100 0.090 0.000 0.784 485 G HN 0.480 nan 8.290 nan 0.000 0.545 486 L N 0.819 122.103 121.223 0.101 0.000 2.343 486 L HA 0.755 5.077 4.340 -0.029 0.000 0.278 486 L C -0.085 176.824 176.870 0.065 0.000 0.996 486 L CA -0.618 54.290 54.840 0.113 0.000 0.831 486 L CB 1.633 43.737 42.059 0.075 0.000 1.232 486 L HN 0.100 nan 8.230 nan 0.000 0.413 487 G N 6.215 115.059 108.800 0.073 0.000 2.478 487 G HA2 0.683 4.625 3.960 -0.029 0.000 0.317 487 G HA3 0.683 4.625 3.960 -0.029 0.000 0.317 487 G C -0.937 173.997 174.900 0.056 0.000 1.259 487 G CA -0.584 44.545 45.100 0.047 0.000 0.933 487 G HN 0.765 nan 8.290 nan 0.000 0.478 488 M N 1.206 120.848 119.600 0.070 0.000 2.721 488 M HA 0.771 5.233 4.480 -0.029 0.000 0.271 488 M C -1.913 174.454 176.300 0.112 0.000 1.259 488 M CA -1.067 54.287 55.300 0.089 0.000 0.835 488 M CB 2.722 35.387 32.600 0.109 0.000 1.689 488 M HN 0.489 nan 8.290 nan 0.000 0.470 489 D N -0.568 119.907 120.400 0.125 0.000 2.652 489 D HA 0.916 5.539 4.640 -0.029 0.000 0.285 489 D C -0.222 176.167 176.300 0.148 0.000 1.173 489 D CA 0.222 54.320 54.000 0.163 0.000 0.981 489 D CB 1.605 42.527 40.800 0.204 0.000 1.440 489 D HN 1.272 nan 8.370 nan 0.000 0.485 490 G N -0.853 108.069 108.800 0.203 0.000 2.423 490 G HA2 0.497 4.439 3.960 -0.029 0.000 0.684 490 G HA3 0.497 4.439 3.960 -0.029 0.000 0.684 490 G C -0.783 174.236 174.900 0.198 0.000 1.309 490 G CA -0.226 44.959 45.100 0.142 0.000 0.950 490 G HN 1.434 nan 8.290 nan 0.000 0.587 491 S N -0.514 115.252 115.700 0.111 0.000 2.578 491 S HA 1.013 5.465 4.470 -0.029 0.000 0.301 491 S C 0.823 175.436 174.600 0.022 0.000 1.091 491 S CA 0.641 58.916 58.200 0.125 0.000 1.032 491 S CB 1.649 64.939 63.200 0.149 0.000 1.064 491 S HN 2.969 nan 8.310 nan 0.000 0.508 492 G N 0.312 109.113 108.800 0.002 0.000 2.828 492 G HA2 0.403 4.345 3.960 -0.029 0.000 0.463 492 G HA3 0.403 4.345 3.960 -0.029 0.000 0.463 492 G C 0.459 175.261 174.900 -0.162 0.000 1.394 492 G CA -0.133 44.926 45.100 -0.067 0.000 0.862 492 G HN 2.759 nan 8.290 nan 0.000 0.540 493 G N -2.096 106.570 108.800 -0.224 0.000 2.710 493 G HA2 0.389 4.332 3.960 -0.029 0.000 0.668 493 G HA3 0.389 4.332 3.960 -0.029 0.000 0.668 493 G C -0.734 173.796 174.900 -0.616 0.000 1.320 493 G CA 0.317 45.283 45.100 -0.223 0.000 0.860 493 G HN 1.964 nan 8.290 nan 0.000 0.538 494 Y N -1.749 118.457 120.300 -0.158 0.000 2.477 494 Y HA 0.645 5.177 4.550 -0.029 0.000 0.347 494 Y C 0.296 176.069 175.900 -0.212 0.000 0.981 494 Y CA -0.914 57.070 58.100 -0.193 0.000 1.033 494 Y CB 2.694 41.080 38.460 -0.123 0.000 1.245 494 Y HN 0.557 nan 8.280 nan 0.000 0.455 495 V N 2.548 122.369 119.914 -0.155 0.000 2.623 495 V HA 0.709 4.811 4.120 -0.029 0.000 0.304 495 V C -1.002 175.093 176.094 0.001 0.000 1.054 495 V CA -0.791 61.449 62.300 -0.100 0.000 0.882 495 V CB 1.887 33.596 31.823 -0.190 0.000 1.002 495 V HN 0.817 nan 8.190 nan 0.000 0.424 496 S N 2.954 118.667 115.700 0.022 0.000 2.549 496 S HA 0.672 5.124 4.470 -0.029 0.000 0.280 496 S C -0.506 174.105 174.600 0.019 0.000 1.109 496 S CA -0.861 57.360 58.200 0.035 0.000 0.905 496 S CB 1.822 65.035 63.200 0.022 0.000 1.081 496 S HN 0.791 nan 8.310 nan 0.000 0.477 497 N N -0.492 118.224 118.700 0.027 0.000 2.726 497 N HA -0.106 4.616 4.740 -0.029 0.000 0.253 497 N C -1.057 174.456 175.510 0.004 0.000 1.059 497 N CA 0.530 53.589 53.050 0.015 0.000 0.701 497 N CB -1.564 36.925 38.487 0.004 0.000 0.899 497 N HN 0.627 nan 8.380 nan 0.000 0.548 498 V N 0.520 120.443 119.914 0.016 0.000 2.513 498 V HA 0.567 4.669 4.120 -0.029 0.000 0.299 498 V C 0.562 176.668 176.094 0.021 0.000 1.035 498 V CA -0.250 62.052 62.300 0.002 0.000 0.889 498 V CB 2.321 34.154 31.823 0.017 0.000 0.988 498 V HN 0.313 nan 8.190 nan 0.000 0.440 499 T N 4.081 118.652 114.554 0.027 0.000 2.864 499 T HA 0.514 4.846 4.350 -0.029 0.000 0.299 499 T C -0.658 174.084 174.700 0.070 0.000 1.011 499 T CA -0.325 61.803 62.100 0.047 0.000 0.975 499 T CB 1.295 70.193 68.868 0.050 0.000 0.962 499 T HN 0.317 nan 8.240 nan 0.000 0.448 500 V N 5.464 125.419 119.914 0.068 0.000 2.409 500 V HA 0.594 4.696 4.120 -0.029 0.000 0.291 500 V C -0.369 175.778 176.094 0.088 0.000 1.020 500 V CA -0.784 61.569 62.300 0.090 0.000 0.848 500 V CB 1.474 33.342 31.823 0.075 0.000 0.990 500 V HN 0.912 nan 8.190 nan 0.000 0.430 501 Q N 2.793 122.660 119.800 0.112 0.000 2.289 501 Q HA 0.559 4.881 4.340 -0.029 0.000 0.270 501 Q C -0.887 175.205 176.000 0.154 0.000 1.038 501 Q CA -0.810 55.060 55.803 0.112 0.000 0.812 501 Q CB 2.263 31.055 28.738 0.090 0.000 1.300 501 Q HN 0.540 nan 8.270 nan 0.000 0.427 502 D N 0.632 121.139 120.400 0.179 0.000 2.737 502 D HA -0.130 4.492 4.640 -0.029 0.000 0.243 502 D C -1.436 175.113 176.300 0.415 0.000 1.109 502 D CA 0.363 54.528 54.000 0.275 0.000 0.702 502 D CB -1.069 39.839 40.800 0.179 0.000 1.068 502 D HN 0.695 nan 8.370 nan 0.000 0.432 503 C N 0.612 120.098 119.300 0.310 0.000 2.341 503 C HA 0.796 5.238 4.460 -0.029 0.000 0.338 503 C C 2.148 177.073 174.990 -0.108 0.000 1.257 503 C CA -0.133 58.988 59.018 0.173 0.000 1.883 503 C CB 0.792 28.581 27.740 0.081 0.000 2.334 503 C HN 0.586 nan 8.230 nan 0.000 0.524 504 A N 3.062 125.630 122.820 -0.419 0.000 1.930 504 A HA 0.244 4.546 4.320 -0.029 0.000 0.217 504 A C 1.348 178.758 177.584 -0.290 0.000 1.175 504 A CA 1.806 53.299 52.037 -0.908 0.000 0.627 504 A CB -0.610 17.994 19.000 -0.661 0.000 0.815 504 A HN 0.999 nan 8.150 nan 0.000 0.443 505 G N -1.852 106.817 108.800 -0.217 0.000 2.782 505 G HA2 0.526 4.468 3.960 -0.029 0.000 0.201 505 G HA3 0.526 4.468 3.960 -0.029 0.000 0.201 505 G C 0.311 175.116 174.900 -0.158 0.000 1.374 505 G CA -0.081 44.876 45.100 -0.237 0.000 1.039 505 G HN 0.790 nan 8.290 nan 0.000 0.576 506 A N -1.193 121.510 122.820 -0.196 0.000 2.507 506 A HA 0.477 4.779 4.320 -0.029 0.000 0.235 506 A C 1.583 179.120 177.584 -0.079 0.000 1.070 506 A CA 0.820 52.786 52.037 -0.118 0.000 0.768 506 A CB 0.195 19.112 19.000 -0.139 0.000 1.011 506 A HN 1.269 nan 8.150 nan 0.000 0.502 507 G N 0.034 108.807 108.800 -0.045 0.000 2.441 507 G HA2 0.312 4.254 3.960 -0.029 0.000 0.212 507 G HA3 0.312 4.254 3.960 -0.029 0.000 0.212 507 G C 0.461 175.349 174.900 -0.020 0.000 1.164 507 G CA 0.846 45.938 45.100 -0.015 0.000 0.811 507 G HN 0.714 nan 8.290 nan 0.000 0.535 508 M N 0.078 119.647 119.600 -0.052 0.000 2.433 508 M HA 0.652 5.114 4.480 -0.029 0.000 0.290 508 M C -2.284 173.964 176.300 -0.087 0.000 1.173 508 M CA -0.740 54.524 55.300 -0.061 0.000 0.905 508 M CB 2.662 35.204 32.600 -0.096 0.000 1.692 508 M HN -0.020 nan 8.290 nan 0.000 0.462 509 L N 4.236 125.419 121.223 -0.066 0.000 2.485 509 L HA 0.758 5.080 4.340 -0.029 0.000 0.260 509 L C -1.336 175.508 176.870 -0.043 0.000 0.998 509 L CA -0.241 54.552 54.840 -0.077 0.000 0.883 509 L CB 1.374 43.390 42.059 -0.072 0.000 1.196 509 L HN 0.886 nan 8.230 nan 0.000 0.443 510 A N 2.722 125.501 122.820 -0.069 0.000 2.273 510 A HA 0.289 4.591 4.320 -0.029 0.000 0.320 510 A C -0.629 176.947 177.584 -0.014 0.000 1.358 510 A CA -0.346 51.695 52.037 0.007 0.000 0.910 510 A CB -0.043 18.972 19.000 0.024 0.000 1.159 510 A HN 0.872 nan 8.150 nan 0.000 0.526 511 H N 3.220 122.241 119.070 -0.083 0.000 2.680 511 H HA 0.360 4.898 4.556 -0.029 0.000 0.224 511 H C 0.212 175.487 175.328 -0.088 0.000 1.866 511 H CA 0.421 56.384 56.048 -0.142 0.000 1.302 511 H CB -0.052 29.575 29.762 -0.224 0.000 1.709 511 H HN 0.667 nan 8.280 nan 0.000 0.537 512 T N -0.414 114.108 114.554 -0.053 0.000 2.916 512 T HA 0.399 4.732 4.350 -0.029 0.000 0.292 512 T C -1.123 173.353 174.700 -0.373 0.000 1.055 512 T CA -0.829 61.262 62.100 -0.015 0.000 1.009 512 T CB 1.723 70.673 68.868 0.137 0.000 1.118 512 T HN 0.189 nan 8.240 nan 0.000 0.497 513 Y N 0.485 120.857 120.300 0.120 0.000 2.406 513 Y HA 0.534 5.067 4.550 -0.029 0.000 0.340 513 Y C 0.684 176.609 175.900 0.041 0.000 0.975 513 Y CA -1.028 57.126 58.100 0.090 0.000 1.056 513 Y CB 1.732 40.253 38.460 0.103 0.000 1.210 513 Y HN 0.950 nan 8.280 nan 0.000 0.448 514 N N 1.441 120.223 118.700 0.136 0.000 2.727 514 N HA -0.262 4.461 4.740 -0.029 0.000 0.249 514 N C -0.791 174.680 175.510 -0.065 0.000 1.048 514 N CA 0.695 53.772 53.050 0.045 0.000 0.714 514 N CB -0.313 38.212 38.487 0.064 0.000 0.959 514 N HN 0.787 nan 8.380 nan 0.000 0.544 515 R N -0.500 119.946 120.500 -0.090 0.000 2.711 515 R HA 0.706 5.029 4.340 -0.029 0.000 0.284 515 R C -0.930 175.166 176.300 -0.340 0.000 0.968 515 R CA -0.791 55.132 56.100 -0.295 0.000 0.924 515 R CB 1.331 31.438 30.300 -0.322 0.000 1.162 515 R HN -0.004 nan 8.270 nan 0.000 0.465 516 V N 4.367 123.944 119.914 -0.561 0.000 2.435 516 V HA 0.484 4.586 4.120 -0.029 0.000 0.290 516 V C -0.957 174.866 176.094 -0.452 0.000 1.030 516 V CA -0.511 61.582 62.300 -0.345 0.000 0.881 516 V CB 1.381 33.046 31.823 -0.264 0.000 0.983 516 V HN 0.580 nan 8.190 nan 0.000 0.445 517 F N 2.055 121.991 119.950 -0.023 0.000 2.477 517 F HA 0.641 5.150 4.527 -0.029 0.000 0.335 517 F C 0.478 176.289 175.800 0.018 0.000 1.130 517 F CA -0.269 57.730 58.000 -0.002 0.000 0.948 517 F CB 2.070 41.058 39.000 -0.019 0.000 1.154 517 F HN 0.373 nan 8.300 nan 0.000 0.439 518 S N 2.192 117.990 115.700 0.164 0.000 2.521 518 S HA 0.396 4.849 4.470 -0.029 0.000 0.295 518 S C -0.535 174.118 174.600 0.087 0.000 1.098 518 S CA -0.998 57.270 58.200 0.113 0.000 0.999 518 S CB 1.472 64.724 63.200 0.088 0.000 1.034 518 S HN 0.684 nan 8.310 nan 0.000 0.483 519 N N 1.660 120.400 118.700 0.067 0.000 2.699 519 N HA -0.139 4.583 4.740 -0.029 0.000 0.257 519 N C -1.179 174.360 175.510 0.048 0.000 1.077 519 N CA 0.366 53.444 53.050 0.046 0.000 0.702 519 N CB -1.201 37.307 38.487 0.034 0.000 0.886 519 N HN 0.525 nan 8.380 nan 0.000 0.549 520 I N 0.620 121.220 120.570 0.050 0.000 2.412 520 I HA 0.398 4.550 4.170 -0.029 0.000 0.296 520 I C 0.633 176.765 176.117 0.025 0.000 0.987 520 I CA -0.265 61.062 61.300 0.044 0.000 1.180 520 I CB 1.704 39.732 38.000 0.047 0.000 1.340 520 I HN 0.124 nan 8.210 nan 0.000 0.455 521 T N 5.314 119.883 114.554 0.024 0.000 2.840 521 T HA 0.562 4.894 4.350 -0.029 0.000 0.287 521 T C -0.398 174.316 174.700 0.022 0.000 0.991 521 T CA -0.425 61.688 62.100 0.022 0.000 0.964 521 T CB 1.737 70.622 68.868 0.028 0.000 0.954 521 T HN 0.262 nan 8.240 nan 0.000 0.438 522 V N 5.985 125.907 119.914 0.014 0.000 2.445 522 V HA 0.544 4.646 4.120 -0.029 0.000 0.283 522 V C -0.355 175.753 176.094 0.023 0.000 1.014 522 V CA -0.821 61.489 62.300 0.017 0.000 0.852 522 V CB 0.674 32.492 31.823 -0.009 0.000 1.021 522 V HN 0.860 nan 8.190 nan 0.000 0.435 523 I N -0.459 120.137 120.570 0.043 0.000 2.769 523 I HA 0.725 4.877 4.170 -0.029 0.000 0.298 523 I C -0.274 175.887 176.117 0.073 0.000 1.128 523 I CA -0.737 60.592 61.300 0.047 0.000 1.031 523 I CB 2.413 40.437 38.000 0.041 0.000 1.235 523 I HN 0.375 nan 8.210 nan 0.000 0.423 524 D N 2.433 122.879 120.400 0.076 0.000 2.723 524 D HA -0.151 4.471 4.640 -0.029 0.000 0.236 524 D C -0.387 176.016 176.300 0.172 0.000 1.138 524 D CA 0.625 54.694 54.000 0.114 0.000 0.676 524 D CB -1.147 39.714 40.800 0.102 0.000 1.069 524 D HN 0.654 nan 8.370 nan 0.000 0.430 525 C N 0.002 119.375 119.300 0.121 0.000 2.325 525 C HA 0.455 4.897 4.460 -0.029 0.000 0.370 525 C C 1.640 176.682 174.990 0.087 0.000 1.217 525 C CA -0.426 58.655 59.018 0.105 0.000 2.254 525 C CB 1.159 28.930 27.740 0.050 0.000 2.282 525 C HN 0.610 nan 8.230 nan 0.000 0.564 526 N N -0.109 118.611 118.700 0.033 0.000 2.721 526 N HA -0.229 4.493 4.740 -0.029 0.000 0.249 526 N C 0.253 175.803 175.510 0.066 0.000 1.072 526 N CA 1.117 54.191 53.050 0.039 0.000 0.710 526 N CB -1.099 37.419 38.487 0.052 0.000 0.993 526 N HN 0.816 nan 8.380 nan 0.000 0.547 527 Y N -1.859 118.494 120.300 0.089 0.000 2.509 527 Y HA 0.206 4.739 4.550 -0.030 0.000 0.293 527 Y C 1.508 177.429 175.900 0.034 0.000 1.133 527 Y CA 0.683 58.822 58.100 0.064 0.000 1.283 527 Y CB -0.286 38.222 38.460 0.079 0.000 1.001 527 Y HN 0.320 nan 8.280 nan 0.000 0.555 528 L N 0.926 122.093 121.223 -0.093 0.000 2.591 528 L HA 0.055 4.378 4.340 -0.029 0.000 0.228 528 L C 0.564 177.282 176.870 -0.252 0.000 1.133 528 L CA 0.574 55.316 54.840 -0.164 0.000 0.880 528 L CB -0.586 41.244 42.059 -0.382 0.000 1.033 528 L HN 0.317 nan 8.230 nan 0.000 0.450 529 N N 0.202 118.843 118.700 -0.098 0.000 2.758 529 N HA -0.237 4.485 4.740 -0.029 0.000 0.248 529 N C -0.227 175.208 175.510 -0.124 0.000 1.076 529 N CA 0.298 53.304 53.050 -0.073 0.000 0.696 529 N CB -1.482 36.967 38.487 -0.063 0.000 0.979 529 N HN 0.088 nan 8.380 nan 0.000 0.550 530 F N 0.410 120.300 119.950 -0.099 0.000 2.539 530 F HA 0.058 4.567 4.527 -0.030 0.000 0.340 530 F C 1.611 177.361 175.800 -0.083 0.000 1.185 530 F CA 0.108 58.043 58.000 -0.109 0.000 1.333 530 F CB 0.247 39.156 39.000 -0.151 0.000 1.152 530 F HN 0.082 nan 8.300 nan 0.000 0.602 531 D N 1.513 121.993 120.400 0.134 0.000 2.600 531 D HA 0.139 4.761 4.640 -0.029 0.000 0.226 531 D C -0.709 175.609 176.300 0.029 0.000 1.119 531 D CA 0.410 54.442 54.000 0.053 0.000 1.051 531 D CB -0.165 40.651 40.800 0.027 0.000 1.106 531 D HN 0.386 nan 8.370 nan 0.000 0.491 532 S N 1.969 117.684 115.700 0.025 0.000 2.550 532 S HA 0.331 4.784 4.470 -0.029 0.000 0.270 532 S C -1.232 173.353 174.600 -0.024 0.000 1.145 532 S CA -0.994 57.192 58.200 -0.023 0.000 0.852 532 S CB 1.084 64.245 63.200 -0.065 0.000 1.119 532 S HN 0.133 nan 8.310 nan 0.000 0.465 533 D N 2.254 122.626 120.400 -0.046 0.000 2.329 533 D HA 0.250 4.872 4.640 -0.029 0.000 0.246 533 D C 0.964 177.233 176.300 -0.051 0.000 1.111 533 D CA -0.201 53.771 54.000 -0.045 0.000 0.941 533 D CB 0.824 41.588 40.800 -0.059 0.000 1.169 533 D HN 0.613 nan 8.370 nan 0.000 0.441 534 Q N 0.004 119.780 119.800 -0.041 0.000 2.096 534 Q HA 0.107 4.429 4.340 -0.029 0.000 0.197 534 Q C 0.196 176.161 176.000 -0.060 0.000 0.964 534 Q CA 0.854 56.634 55.803 -0.038 0.000 0.838 534 Q CB 0.320 29.048 28.738 -0.017 0.000 0.906 534 Q HN 0.434 nan 8.270 nan 0.000 0.444 535 I N 0.879 121.404 120.570 -0.075 0.000 2.439 535 I HA 0.350 4.502 4.170 -0.029 0.000 0.285 535 I C -1.117 174.924 176.117 -0.127 0.000 1.021 535 I CA -0.475 60.761 61.300 -0.106 0.000 1.091 535 I CB 1.863 39.798 38.000 -0.108 0.000 1.242 535 I HN -0.010 nan 8.210 nan 0.000 0.439 536 I N 7.316 127.797 120.570 -0.149 0.000 2.466 536 I HA 0.498 4.651 4.170 -0.029 0.000 0.289 536 I C -0.672 175.326 176.117 -0.199 0.000 1.026 536 I CA -0.323 60.883 61.300 -0.157 0.000 1.078 536 I CB 1.905 39.820 38.000 -0.141 0.000 1.249 536 I HN 0.367 nan 8.210 nan 0.000 0.429 537 I N 6.360 126.804 120.570 -0.210 0.000 2.466 537 I HA 0.329 4.481 4.170 -0.029 0.000 0.289 537 I C 0.479 176.463 176.117 -0.221 0.000 1.026 537 I CA -0.545 60.618 61.300 -0.228 0.000 1.078 537 I CB 2.276 40.122 38.000 -0.257 0.000 1.249 537 I HN 0.515 nan 8.210 nan 0.000 0.429 538 I N 3.334 123.733 120.570 -0.284 0.000 2.429 538 I HA 0.125 4.277 4.170 -0.029 0.000 0.247 538 I C 1.497 177.422 176.117 -0.320 0.000 1.099 538 I CA 0.916 62.009 61.300 -0.345 0.000 1.422 538 I CB -0.801 36.849 38.000 -0.582 0.000 1.112 538 I HN 0.643 nan 8.210 nan 0.000 0.430 539 G N 1.421 109.936 108.800 -0.475 0.000 2.606 539 G HA2 0.208 4.150 3.960 -0.029 0.000 0.262 539 G HA3 0.208 4.150 3.960 -0.029 0.000 0.262 539 G C -0.683 174.134 174.900 -0.138 0.000 1.394 539 G CA -0.225 44.622 45.100 -0.422 0.000 1.044 539 G HN 0.318 nan 8.290 nan 0.000 0.553 540 D N -0.381 120.019 120.400 -0.000 0.000 2.470 540 D HA 0.244 4.866 4.640 -0.029 0.000 0.226 540 D C 0.087 176.413 176.300 0.043 0.000 1.196 540 D CA -0.287 53.738 54.000 0.042 0.000 0.979 540 D CB -0.079 40.773 40.800 0.087 0.000 1.059 540 D HN 0.141 nan 8.370 nan 0.000 0.515 541 C N 1.871 121.193 119.300 0.038 0.000 2.668 541 C HA 0.613 5.055 4.460 -0.029 0.000 0.355 541 C C -0.141 174.899 174.990 0.083 0.000 1.277 541 C CA -0.873 58.198 59.018 0.088 0.000 1.787 541 C CB 1.638 29.501 27.740 0.205 0.000 2.233 541 C HN 0.523 nan 8.230 nan 0.000 0.495 542 I N 1.823 122.464 120.570 0.118 0.000 2.465 542 I HA 0.481 4.633 4.170 -0.029 0.000 0.291 542 I C -0.624 175.596 176.117 0.172 0.000 1.014 542 I CA -0.326 61.032 61.300 0.098 0.000 1.093 542 I CB 1.555 39.590 38.000 0.058 0.000 1.267 542 I HN 0.297 nan 8.210 nan 0.000 0.431 543 V N 6.357 126.340 119.914 0.115 0.000 2.409 543 V HA 0.446 4.549 4.120 -0.029 0.000 0.291 543 V C -0.156 175.986 176.094 0.079 0.000 1.020 543 V CA -0.738 61.634 62.300 0.119 0.000 0.848 543 V CB 1.835 33.675 31.823 0.029 0.000 0.990 543 V HN 0.605 nan 8.190 nan 0.000 0.430 544 N N 4.144 122.898 118.700 0.090 0.000 2.626 544 N HA 0.539 5.261 4.740 -0.029 0.000 0.242 544 N C 0.297 175.840 175.510 0.055 0.000 1.005 544 N CA 0.217 53.305 53.050 0.063 0.000 0.905 544 N CB 1.719 40.246 38.487 0.067 0.000 1.128 544 N HN 1.127 nan 8.380 nan 0.000 0.512 545 G N 1.849 110.672 108.800 0.038 0.000 3.292 545 G HA2 -0.162 3.781 3.960 -0.029 0.000 0.636 545 G HA3 -0.162 3.781 3.960 -0.029 0.000 0.636 545 G C -0.747 174.170 174.900 0.029 0.000 1.069 545 G CA -0.708 44.410 45.100 0.030 0.000 0.890 545 G HN 0.586 nan 8.290 nan 0.000 0.427 546 I N 1.936 122.515 120.570 0.016 0.000 2.610 546 I HA 0.652 4.804 4.170 -0.029 0.000 0.289 546 I C -0.192 175.926 176.117 0.003 0.000 1.163 546 I CA -1.312 59.992 61.300 0.007 0.000 1.044 546 I CB 1.216 39.210 38.000 -0.010 0.000 1.251 546 I HN 0.514 nan 8.210 nan 0.000 0.424 547 R N 5.783 126.287 120.500 0.006 0.000 2.255 547 R HA 0.667 4.990 4.340 -0.029 0.000 0.326 547 R C 0.083 176.385 176.300 0.004 0.000 0.986 547 R CA -0.119 55.985 56.100 0.006 0.000 0.847 547 R CB 1.663 31.970 30.300 0.011 0.000 1.111 547 R HN 0.709 nan 8.270 nan 0.000 0.452 548 A N 1.697 124.517 122.820 0.001 0.000 2.609 548 A HA 0.542 4.844 4.320 -0.029 0.000 0.286 548 A C -0.260 177.328 177.584 0.005 0.000 1.138 548 A CA -0.102 51.934 52.037 -0.002 0.000 0.960 548 A CB 0.752 19.744 19.000 -0.013 0.000 1.208 548 A HN 0.621 nan 8.150 nan 0.000 0.541 549 A N -0.606 122.221 122.820 0.010 0.000 2.427 549 A HA 0.743 5.045 4.320 -0.029 0.000 0.298 549 A C 0.290 177.885 177.584 0.018 0.000 1.036 549 A CA 0.078 52.123 52.037 0.014 0.000 0.701 549 A CB 0.832 19.838 19.000 0.010 0.000 1.250 549 A HN 0.881 nan 8.150 nan 0.000 0.412 550 G N -0.222 108.593 108.800 0.025 0.000 2.940 550 G HA2 0.499 4.442 3.960 -0.029 0.000 0.164 550 G HA3 0.499 4.442 3.960 -0.029 0.000 0.164 550 G C 0.441 175.353 174.900 0.020 0.000 1.326 550 G CA 0.115 45.231 45.100 0.026 0.000 1.020 550 G HN 0.804 nan 8.290 nan 0.000 0.586 551 I N -0.644 119.937 120.570 0.019 0.000 4.070 551 I HA 0.297 4.449 4.170 -0.029 0.000 0.328 551 I C 0.633 176.757 176.117 0.012 0.000 1.298 551 I CA -0.032 61.275 61.300 0.011 0.000 1.173 551 I CB 0.079 38.083 38.000 0.006 0.000 1.051 551 I HN 0.103 nan 8.210 nan 0.000 0.409 552 K N 2.896 123.308 120.400 0.020 0.000 2.202 552 K HA 0.259 4.561 4.320 -0.029 0.000 0.264 552 K C -2.147 174.469 176.600 0.027 0.000 1.010 552 K CA -1.612 54.688 56.287 0.021 0.000 0.940 552 K CB 0.022 32.543 32.500 0.034 0.000 0.983 552 K HN -0.010 nan 8.250 nan 0.000 0.475 553 P HA -0.037 nan 4.420 nan 0.000 0.269 553 P C -0.679 176.641 177.300 0.034 0.000 1.209 553 P CA -0.086 63.029 63.100 0.024 0.000 0.776 553 P CB 0.540 32.252 31.700 0.020 0.000 0.876 554 Q N 2.278 122.095 119.800 0.028 0.000 2.364 554 Q HA 0.180 4.503 4.340 -0.029 0.000 0.267 554 Q C -1.736 174.283 176.000 0.032 0.000 0.999 554 Q CA -1.097 54.725 55.803 0.030 0.000 0.886 554 Q CB -0.388 28.362 28.738 0.020 0.000 1.243 554 Q HN 0.418 nan 8.270 nan 0.000 0.415 555 P HA -0.006 nan 4.420 nan 0.000 0.271 555 P C 0.488 177.798 177.300 0.017 0.000 1.218 555 P CA 0.047 63.166 63.100 0.031 0.000 0.780 555 P CB 0.654 32.377 31.700 0.038 0.000 0.901 556 S N 1.220 116.926 115.700 0.009 0.000 2.402 556 S HA -0.068 4.384 4.470 -0.029 0.000 0.229 556 S C 0.832 175.433 174.600 0.001 0.000 1.021 556 S CA 0.409 58.611 58.200 0.004 0.000 0.974 556 S CB -0.612 62.588 63.200 -0.001 0.000 0.800 556 S HN 0.414 nan 8.310 nan 0.000 0.484 557 N N 2.133 120.834 118.700 0.001 0.000 2.524 557 N HA 0.557 5.279 4.740 -0.029 0.000 0.283 557 N C 0.516 176.029 175.510 0.004 0.000 1.142 557 N CA 0.977 54.028 53.050 0.002 0.000 0.984 557 N CB 0.923 39.412 38.487 0.004 0.000 1.155 557 N HN 0.628 nan 8.380 nan 0.000 0.467 558 G N -0.049 108.751 108.800 -0.001 0.000 2.781 558 G HA2 -0.188 3.755 3.960 -0.029 0.000 0.683 558 G HA3 -0.188 3.755 3.960 -0.029 0.000 0.683 558 G C -0.751 174.143 174.900 -0.010 0.000 1.390 558 G CA -0.724 44.372 45.100 -0.007 0.000 0.850 558 G HN 0.438 nan 8.290 nan 0.000 0.557 559 L N -0.155 121.057 121.223 -0.018 0.000 2.416 559 L HA 0.483 4.805 4.340 -0.029 0.000 0.262 559 L C 1.946 178.803 176.870 -0.022 0.000 1.093 559 L CA -1.079 53.748 54.840 -0.021 0.000 0.801 559 L CB 1.225 43.266 42.059 -0.030 0.000 1.191 559 L HN 0.462 nan 8.230 nan 0.000 0.459 560 V N 1.122 121.023 119.914 -0.020 0.000 2.302 560 V HA -0.027 4.075 4.120 -0.029 0.000 0.243 560 V C 0.598 176.669 176.094 -0.038 0.000 1.036 560 V CA 1.270 63.557 62.300 -0.021 0.000 1.020 560 V CB -0.047 31.768 31.823 -0.015 0.000 0.657 560 V HN 0.443 nan 8.190 nan 0.000 0.453 561 I N -0.358 120.185 120.570 -0.044 0.000 2.465 561 I HA 0.390 4.543 4.170 -0.029 0.000 0.291 561 I C -0.463 175.616 176.117 -0.063 0.000 1.014 561 I CA -0.010 61.253 61.300 -0.062 0.000 1.093 561 I CB 2.010 39.974 38.000 -0.061 0.000 1.267 561 I HN 0.017 nan 8.210 nan 0.000 0.431 562 S N 5.272 120.923 115.700 -0.081 0.000 2.653 562 S HA 0.747 5.200 4.470 -0.029 0.000 0.272 562 S C -0.454 174.084 174.600 -0.103 0.000 1.221 562 S CA -0.312 57.840 58.200 -0.081 0.000 1.149 562 S CB 0.805 63.957 63.200 -0.079 0.000 1.029 562 S HN 0.706 nan 8.310 nan 0.000 0.481 563 A N 6.350 129.115 122.820 -0.092 0.000 3.410 563 A HA 0.537 4.840 4.320 -0.029 0.000 0.276 563 A C -2.051 175.489 177.584 -0.073 0.000 0.995 563 A CA -0.943 51.032 52.037 -0.102 0.000 0.934 563 A CB 0.595 19.527 19.000 -0.114 0.000 1.191 563 A HN 0.593 nan 8.150 nan 0.000 0.511 564 P HA -0.084 nan 4.420 nan 0.000 0.226 564 P C 0.317 177.598 177.300 -0.031 0.000 1.153 564 P CA 1.085 64.159 63.100 -0.043 0.000 0.777 564 P CB 0.239 31.915 31.700 -0.041 0.000 0.794 565 N N -1.023 117.655 118.700 -0.036 0.000 2.204 565 N HA 0.106 4.828 4.740 -0.029 0.000 0.219 565 N C 0.050 175.553 175.510 -0.012 0.000 1.151 565 N CA 0.160 53.200 53.050 -0.016 0.000 0.867 565 N CB 0.569 39.051 38.487 -0.009 0.000 1.043 565 N HN 0.037 nan 8.380 nan 0.000 0.516 566 S N -0.328 115.358 115.700 -0.023 0.000 2.638 566 S HA 0.498 4.950 4.470 -0.029 0.000 0.298 566 S C 0.115 174.713 174.600 -0.004 0.000 1.111 566 S CA -0.379 57.814 58.200 -0.012 0.000 1.027 566 S CB 2.227 65.409 63.200 -0.031 0.000 1.064 566 S HN -0.055 nan 8.310 nan 0.000 0.525 567 T N 2.181 116.741 114.554 0.009 0.000 2.794 567 T HA 0.589 4.922 4.350 -0.029 0.000 0.280 567 T C -0.506 174.202 174.700 0.013 0.000 0.987 567 T CA -0.313 61.794 62.100 0.010 0.000 0.993 567 T CB 0.259 69.137 68.868 0.017 0.000 0.939 567 T HN 0.377 nan 8.240 nan 0.000 0.449 568 I N 2.313 122.886 120.570 0.005 0.000 2.465 568 I HA 0.478 4.630 4.170 -0.029 0.000 0.291 568 I C -0.092 176.030 176.117 0.009 0.000 1.014 568 I CA -0.667 60.635 61.300 0.005 0.000 1.093 568 I CB 2.114 40.107 38.000 -0.013 0.000 1.267 568 I HN 0.532 nan 8.210 nan 0.000 0.431 569 S N 2.604 118.313 115.700 0.016 0.000 2.568 569 S HA 0.705 5.157 4.470 -0.029 0.000 0.293 569 S C 0.414 175.023 174.600 0.015 0.000 1.089 569 S CA -0.154 58.055 58.200 0.015 0.000 0.945 569 S CB 1.895 65.107 63.200 0.020 0.000 1.077 569 S HN 1.094 nan 8.310 nan 0.000 0.485 570 G N 0.827 109.634 108.800 0.012 0.000 2.225 570 G HA2 -0.199 3.743 3.960 -0.029 0.000 0.264 570 G HA3 -0.199 3.743 3.960 -0.029 0.000 0.264 570 G C -0.376 174.529 174.900 0.009 0.000 1.060 570 G CA -0.092 45.015 45.100 0.012 0.000 0.833 570 G HN 0.638 nan 8.290 nan 0.000 0.498 571 L N 0.773 121.998 121.223 0.004 0.000 2.369 571 L HA 0.676 4.998 4.340 -0.029 0.000 0.279 571 L C 0.168 177.039 176.870 0.001 0.000 1.108 571 L CA -0.457 54.383 54.840 -0.000 0.000 0.852 571 L CB 1.401 43.457 42.059 -0.006 0.000 1.169 571 L HN 0.088 nan 8.230 nan 0.000 0.452 572 V N 5.178 125.093 119.914 0.002 0.000 2.680 572 V HA 0.999 5.102 4.120 -0.029 0.000 0.309 572 V C 0.386 176.481 176.094 0.002 0.000 1.052 572 V CA 0.144 62.446 62.300 0.003 0.000 0.908 572 V CB 1.157 32.983 31.823 0.005 0.000 1.001 572 V HN 1.137 nan 8.190 nan 0.000 0.431 573 G N 3.332 112.133 108.800 0.002 0.000 2.355 573 G HA2 -0.063 3.879 3.960 -0.029 0.000 0.619 573 G HA3 -0.063 3.879 3.960 -0.029 0.000 0.619 573 G C -0.804 174.098 174.900 0.002 0.000 1.337 573 G CA -0.622 44.480 45.100 0.003 0.000 0.993 573 G HN 0.751 nan 8.290 nan 0.000 0.599 574 N N 0.181 118.883 118.700 0.003 0.000 3.178 574 N HA 0.359 5.082 4.740 -0.029 0.000 0.300 574 N C 0.332 175.844 175.510 0.004 0.000 1.242 574 N CA -0.008 53.044 53.050 0.003 0.000 1.192 574 N CB 0.128 38.618 38.487 0.004 0.000 1.463 574 N HN 0.578 nan 8.380 nan 0.000 0.539 575 V N 3.185 123.100 119.914 0.002 0.000 2.488 575 V HA 0.281 4.383 4.120 -0.029 0.000 0.277 575 V C -1.791 174.303 176.094 -0.000 0.000 1.046 575 V CA -1.525 60.776 62.300 0.000 0.000 0.986 575 V CB 1.009 32.830 31.823 -0.003 0.000 0.989 575 V HN 0.436 nan 8.190 nan 0.000 0.475 576 P HA 0.152 nan 4.420 nan 0.000 0.266 576 P C -1.964 175.335 177.300 -0.003 0.000 1.215 576 P CA -1.167 61.933 63.100 0.000 0.000 0.763 576 P CB 0.222 31.923 31.700 0.001 0.000 0.806 577 P HA -0.145 nan 4.420 nan 0.000 0.226 577 P C 0.640 177.937 177.300 -0.005 0.000 1.153 577 P CA 1.259 64.357 63.100 -0.004 0.000 0.777 577 P CB 0.081 31.780 31.700 -0.002 0.000 0.794 578 D N -0.894 119.503 120.400 -0.004 0.000 2.340 578 D HA -0.046 4.577 4.640 -0.029 0.000 0.220 578 D C 0.755 177.051 176.300 -0.007 0.000 1.039 578 D CA 0.395 54.393 54.000 -0.004 0.000 0.866 578 D CB -0.147 40.652 40.800 -0.002 0.000 0.913 578 D HN 0.049 nan 8.370 nan 0.000 0.523 579 K N 0.741 121.136 120.400 -0.008 0.000 2.699 579 K HA 0.360 4.662 4.320 -0.029 0.000 0.210 579 K C -0.135 176.455 176.600 -0.017 0.000 1.076 579 K CA -0.323 55.958 56.287 -0.011 0.000 1.109 579 K CB 1.128 33.623 32.500 -0.008 0.000 0.862 579 K HN 0.268 nan 8.250 nan 0.000 0.470 580 I N 1.327 121.887 120.570 -0.018 0.000 2.498 580 I HA 0.313 4.465 4.170 -0.029 0.000 0.290 580 I C -1.032 175.071 176.117 -0.024 0.000 1.032 580 I CA -1.317 59.969 61.300 -0.023 0.000 1.073 580 I CB 2.069 40.057 38.000 -0.020 0.000 1.251 580 I HN -0.133 nan 8.210 nan 0.000 0.426 581 L N 8.699 129.903 121.223 -0.031 0.000 2.372 581 L HA 0.768 5.090 4.340 -0.029 0.000 0.273 581 L C -1.279 175.569 176.870 -0.037 0.000 0.989 581 L CA -0.244 54.577 54.840 -0.031 0.000 0.841 581 L CB 1.455 43.494 42.059 -0.034 0.000 1.225 581 L HN 0.357 nan 8.230 nan 0.000 0.414 582 V N 3.132 123.028 119.914 -0.030 0.000 3.078 582 V HA 0.609 4.711 4.120 -0.029 0.000 0.311 582 V C 1.078 177.159 176.094 -0.022 0.000 1.138 582 V CA -0.165 62.117 62.300 -0.031 0.000 1.007 582 V CB 1.273 33.079 31.823 -0.028 0.000 1.045 582 V HN 0.679 nan 8.190 nan 0.000 0.432 583 G N 0.989 109.777 108.800 -0.020 0.000 2.459 583 G HA2 -0.107 3.835 3.960 -0.029 0.000 0.217 583 G HA3 -0.107 3.835 3.960 -0.029 0.000 0.217 583 G C 0.442 175.339 174.900 -0.005 0.000 1.183 583 G CA 1.276 46.370 45.100 -0.010 0.000 0.776 583 G HN 0.650 nan 8.290 nan 0.000 0.552 584 N N -1.830 116.867 118.700 -0.005 0.000 2.367 584 N HA 0.411 5.133 4.740 -0.029 0.000 0.278 584 N C -2.156 173.353 175.510 -0.002 0.000 1.117 584 N CA -0.708 52.341 53.050 -0.001 0.000 0.867 584 N CB 1.958 40.447 38.487 0.004 0.000 1.649 584 N HN 0.050 nan 8.380 nan 0.000 0.479 585 L N 2.807 124.029 121.223 -0.002 0.000 2.325 585 L HA 0.717 5.039 4.340 -0.029 0.000 0.281 585 L C -1.765 175.107 176.870 0.002 0.000 1.004 585 L CA -0.528 54.312 54.840 -0.001 0.000 0.823 585 L CB 1.114 43.171 42.059 -0.004 0.000 1.236 585 L HN 0.448 nan 8.230 nan 0.000 0.415 586 L N 4.526 125.753 121.223 0.005 0.000 2.464 586 L HA 0.553 4.875 4.340 -0.029 0.000 0.266 586 L C -1.185 175.690 176.870 0.008 0.000 0.965 586 L CA -0.177 54.667 54.840 0.007 0.000 0.833 586 L CB 2.252 44.317 42.059 0.010 0.000 1.296 586 L HN 0.560 nan 8.230 nan 0.000 0.405 587 D N 5.083 125.487 120.400 0.008 0.000 2.552 587 D HA 0.297 4.919 4.640 -0.029 0.000 0.285 587 D C -1.736 174.569 176.300 0.008 0.000 1.206 587 D CA -0.589 53.416 54.000 0.008 0.000 0.826 587 D CB 1.665 42.469 40.800 0.007 0.000 1.179 587 D HN 0.398 nan 8.370 nan 0.000 0.508 588 P HA 0.007 nan 4.420 nan 0.000 0.249 588 P C 0.685 177.990 177.300 0.008 0.000 1.229 588 P CA 0.365 63.471 63.100 0.009 0.000 0.788 588 P CB 0.461 32.167 31.700 0.010 0.000 1.072 589 V N -3.129 116.790 119.914 0.008 0.000 2.724 589 V HA 0.343 4.445 4.120 -0.029 0.000 0.341 589 V C -0.041 176.058 176.094 0.007 0.000 1.254 589 V CA -0.867 61.438 62.300 0.008 0.000 1.261 589 V CB -0.407 31.422 31.823 0.009 0.000 1.445 589 V HN -0.204 nan 8.190 nan 0.000 0.652 590 L N 1.536 122.762 121.223 0.006 0.000 2.452 590 L HA 0.731 5.054 4.340 -0.029 0.000 0.267 590 L C 1.403 178.277 176.870 0.005 0.000 1.188 590 L CA 0.764 55.608 54.840 0.006 0.000 0.821 590 L CB 0.529 42.591 42.059 0.005 0.000 1.102 590 L HN 0.517 nan 8.230 nan 0.000 0.470 591 G N 0.168 108.971 108.800 0.005 0.000 2.695 591 G HA2 0.223 4.165 3.960 -0.029 0.000 0.213 591 G HA3 0.223 4.165 3.960 -0.029 0.000 0.213 591 G C -0.605 174.297 174.900 0.003 0.000 1.406 591 G CA -0.578 44.524 45.100 0.004 0.000 1.049 591 G HN 0.500 nan 8.290 nan 0.000 0.573 592 Q N 0.270 120.071 119.800 0.003 0.000 2.247 592 Q HA 0.229 4.552 4.340 -0.029 0.000 0.288 592 Q C -0.292 175.709 176.000 0.002 0.000 1.079 592 Q CA 0.555 56.359 55.803 0.002 0.000 0.932 592 Q CB 0.873 29.612 28.738 0.002 0.000 1.133 592 Q HN 0.250 nan 8.270 nan 0.000 0.377 593 S N 2.198 117.898 115.700 -0.000 0.000 2.671 593 S HA 0.776 5.228 4.470 -0.029 0.000 0.299 593 S C -0.518 174.080 174.600 -0.004 0.000 1.116 593 S CA -0.835 57.364 58.200 -0.000 0.000 0.912 593 S CB 2.593 65.793 63.200 -0.000 0.000 1.130 593 S HN 0.561 nan 8.310 nan 0.000 0.501 594 R N 0.920 121.417 120.500 -0.004 0.000 2.566 594 R HA 0.555 4.877 4.340 -0.029 0.000 0.271 594 R C -2.292 174.002 176.300 -0.010 0.000 1.071 594 R CA -0.376 55.717 56.100 -0.012 0.000 0.915 594 R CB 1.171 31.464 30.300 -0.011 0.000 1.228 594 R HN 0.476 nan 8.270 nan 0.000 0.449 595 V N 6.103 126.002 119.914 -0.025 0.000 2.394 595 V HA 0.481 4.583 4.120 -0.029 0.000 0.282 595 V C -0.010 176.052 176.094 -0.054 0.000 1.031 595 V CA -0.500 61.784 62.300 -0.027 0.000 0.881 595 V CB 1.543 33.343 31.823 -0.040 0.000 0.982 595 V HN 0.583 nan 8.190 nan 0.000 0.451 596 I N 3.984 124.530 120.570 -0.039 0.000 2.389 596 I HA 0.563 4.716 4.170 -0.029 0.000 0.288 596 I C 0.696 176.729 176.117 -0.140 0.000 0.999 596 I CA -0.400 60.820 61.300 -0.133 0.000 1.129 596 I CB 1.867 39.793 38.000 -0.123 0.000 1.288 596 I HN 0.684 nan 8.210 nan 0.000 0.444 597 G N 5.750 114.406 108.800 -0.240 0.000 2.322 597 G HA2 0.619 4.562 3.960 -0.029 0.000 0.309 597 G HA3 0.619 4.562 3.960 -0.029 0.000 0.309 597 G C -1.069 173.629 174.900 -0.337 0.000 1.121 597 G CA -0.181 44.812 45.100 -0.179 0.000 0.886 597 G HN 0.324 nan 8.290 nan 0.000 0.447 598 F N 1.191 121.119 119.950 -0.036 0.000 2.450 598 F HA 0.374 4.884 4.527 -0.029 0.000 0.332 598 F C 1.053 176.839 175.800 -0.024 0.000 1.093 598 F CA -0.777 57.207 58.000 -0.026 0.000 1.003 598 F CB 1.730 40.718 39.000 -0.019 0.000 1.151 598 F HN 0.419 nan 8.300 nan 0.000 0.474 599 N N 1.352 120.141 118.700 0.147 0.000 2.735 599 N HA -0.230 4.493 4.740 -0.029 0.000 0.248 599 N C -0.766 174.767 175.510 0.039 0.000 1.083 599 N CA 0.952 54.054 53.050 0.086 0.000 0.703 599 N CB -0.854 37.690 38.487 0.094 0.000 1.005 599 N HN 0.478 nan 8.380 nan 0.000 0.550 600 S N -1.130 114.571 115.700 0.002 0.000 2.550 600 S HA 0.362 4.814 4.470 -0.029 0.000 0.270 600 S C -0.131 174.437 174.600 -0.053 0.000 1.145 600 S CA -0.637 57.548 58.200 -0.026 0.000 0.852 600 S CB 1.312 64.487 63.200 -0.042 0.000 1.119 600 S HN 0.029 nan 8.310 nan 0.000 0.465 601 D N 1.596 121.967 120.400 -0.049 0.000 2.349 601 D HA 0.152 4.775 4.640 -0.029 0.000 0.224 601 D C 0.706 176.925 176.300 -0.136 0.000 1.029 601 D CA 0.815 54.781 54.000 -0.056 0.000 0.879 601 D CB 0.323 41.123 40.800 0.001 0.000 0.906 601 D HN 0.672 nan 8.370 nan 0.000 0.528 602 T N -2.721 111.720 114.554 -0.189 0.000 2.896 602 T HA 0.785 5.118 4.350 -0.029 0.000 0.297 602 T C -0.961 173.586 174.700 -0.256 0.000 1.108 602 T CA -1.031 60.874 62.100 -0.325 0.000 1.004 602 T CB 2.672 71.266 68.868 -0.457 0.000 1.159 602 T HN -0.094 nan 8.240 nan 0.000 0.499 603 A N 1.568 124.218 122.820 -0.283 0.000 2.414 603 A HA 0.874 5.176 4.320 -0.029 0.000 0.306 603 A C -0.614 176.849 177.584 -0.202 0.000 1.054 603 A CA -0.893 51.023 52.037 -0.202 0.000 0.724 603 A CB 1.336 20.228 19.000 -0.179 0.000 1.267 603 A HN 1.149 nan 8.150 nan 0.000 0.418 604 E N 0.811 120.928 120.200 -0.140 0.000 2.413 604 E HA 0.626 4.958 4.350 -0.029 0.000 0.277 604 E C -1.961 174.596 176.600 -0.071 0.000 0.958 604 E CA -0.898 55.431 56.400 -0.119 0.000 0.779 604 E CB 1.796 31.421 29.700 -0.126 0.000 1.278 604 E HN 0.521 nan 8.360 nan 0.000 0.456 605 L N 1.854 123.043 121.223 -0.056 0.000 2.324 605 L HA 0.665 4.988 4.340 -0.029 0.000 0.274 605 L C -0.856 175.998 176.870 -0.026 0.000 1.012 605 L CA -0.242 54.578 54.840 -0.034 0.000 0.859 605 L CB 0.986 43.030 42.059 -0.026 0.000 1.224 605 L HN 0.797 nan 8.230 nan 0.000 0.429 606 A N 4.928 127.734 122.820 -0.022 0.000 2.304 606 A HA 0.771 5.073 4.320 -0.029 0.000 0.271 606 A C -0.861 176.719 177.584 -0.006 0.000 1.091 606 A CA -0.374 51.655 52.037 -0.014 0.000 0.812 606 A CB 0.507 19.500 19.000 -0.013 0.000 1.056 606 A HN 0.670 nan 8.150 nan 0.000 0.489 607 L N 0.739 121.962 121.223 -0.001 0.000 2.362 607 L HA 0.719 5.041 4.340 -0.029 0.000 0.271 607 L C 0.205 177.077 176.870 0.003 0.000 1.002 607 L CA -0.232 54.608 54.840 0.001 0.000 0.818 607 L CB 1.970 44.031 42.059 0.004 0.000 1.298 607 L HN 0.837 nan 8.230 nan 0.000 0.420 608 R N 2.705 123.206 120.500 0.002 0.000 2.564 608 R HA 0.672 4.994 4.340 -0.029 0.000 0.284 608 R C -1.679 174.623 176.300 0.002 0.000 1.031 608 R CA -0.524 55.577 56.100 0.003 0.000 0.904 608 R CB 1.597 31.897 30.300 0.001 0.000 1.199 608 R HN 0.634 nan 8.270 nan 0.000 0.443 609 I N 4.502 125.074 120.570 0.003 0.000 2.359 609 I HA 0.104 4.256 4.170 -0.029 0.000 0.284 609 I C 1.309 177.427 176.117 0.001 0.000 1.018 609 I CA -0.483 60.818 61.300 0.003 0.000 1.173 609 I CB 1.469 39.471 38.000 0.004 0.000 1.326 609 I HN 0.721 nan 8.210 nan 0.000 0.462 610 N N 6.128 124.828 118.700 -0.000 0.000 2.104 610 N HA -0.231 4.491 4.740 -0.029 0.000 0.190 610 N C 1.746 177.256 175.510 -0.001 0.000 1.024 610 N CA 1.612 54.661 53.050 -0.002 0.000 0.853 610 N CB 0.249 38.734 38.487 -0.004 0.000 1.008 610 N HN 0.603 nan 8.380 nan 0.000 0.424 611 K N 0.415 120.815 120.400 -0.000 0.000 2.103 611 K HA -0.162 4.140 4.320 -0.029 0.000 0.207 611 K C 2.225 178.826 176.600 0.001 0.000 1.048 611 K CA 0.975 57.262 56.287 -0.000 0.000 0.930 611 K CB -0.158 32.343 32.500 0.001 0.000 0.716 611 K HN 0.150 nan 8.250 nan 0.000 0.444 612 L N -0.201 121.023 121.223 0.002 0.000 2.044 612 L HA 0.050 4.372 4.340 -0.029 0.000 0.205 612 L C 0.318 177.190 176.870 0.003 0.000 1.075 612 L CA 1.477 56.318 54.840 0.003 0.000 0.747 612 L CB 0.132 42.194 42.059 0.004 0.000 0.903 612 L HN 0.117 nan 8.230 nan 0.000 0.435 613 S N -2.426 113.276 115.700 0.002 0.000 2.584 613 S HA 0.587 5.039 4.470 -0.029 0.000 0.280 613 S C 0.390 174.991 174.600 0.001 0.000 1.162 613 S CA -0.323 57.878 58.200 0.002 0.000 0.951 613 S CB 1.213 64.415 63.200 0.004 0.000 1.108 613 S HN 0.446 nan 8.310 nan 0.000 0.464 614 A N 2.886 125.706 122.820 -0.000 0.000 2.014 614 A HA 0.088 4.390 4.320 -0.029 0.000 0.218 614 A C 1.829 179.413 177.584 -0.000 0.000 1.163 614 A CA 1.904 53.940 52.037 -0.001 0.000 0.652 614 A CB -0.711 18.287 19.000 -0.003 0.000 0.808 614 A HN 1.209 nan 8.150 nan 0.000 0.449 615 T N -3.511 111.043 114.554 0.001 0.000 3.001 615 T HA 0.516 4.849 4.350 -0.029 0.000 0.251 615 T C 0.257 174.960 174.700 0.004 0.000 1.040 615 T CA -0.180 61.921 62.100 0.002 0.000 0.985 615 T CB -0.156 68.714 68.868 0.003 0.000 1.011 615 T HN 0.131 nan 8.240 nan 0.000 0.509 616 L N 2.272 123.498 121.223 0.005 0.000 2.341 616 L HA 0.526 4.848 4.340 -0.029 0.000 0.278 616 L C -0.862 176.012 176.870 0.007 0.000 1.005 616 L CA -1.174 53.670 54.840 0.007 0.000 0.818 616 L CB 1.684 43.748 42.059 0.008 0.000 1.259 616 L HN 0.003 nan 8.230 nan 0.000 0.418 617 D N 0.858 121.262 120.400 0.007 0.000 2.443 617 D HA 0.010 4.632 4.640 -0.029 0.000 0.239 617 D C 1.059 177.365 176.300 0.010 0.000 1.136 617 D CA 0.204 54.208 54.000 0.007 0.000 0.879 617 D CB 1.535 42.338 40.800 0.006 0.000 1.195 617 D HN 0.621 nan 8.370 nan 0.000 0.443 618 S N 0.942 116.648 115.700 0.010 0.000 2.478 618 S HA 0.266 4.718 4.470 -0.029 0.000 0.222 618 S C 0.942 175.551 174.600 0.016 0.000 1.008 618 S CA 0.301 58.508 58.200 0.012 0.000 0.928 618 S CB 0.478 63.684 63.200 0.010 0.000 0.781 618 S HN 0.643 nan 8.310 nan 0.000 0.518 619 G N -0.463 108.346 108.800 0.015 0.000 2.441 619 G HA2 0.647 4.589 3.960 -0.029 0.000 0.294 619 G HA3 0.647 4.589 3.960 -0.029 0.000 0.294 619 G C -1.830 173.079 174.900 0.014 0.000 1.393 619 G CA -0.281 44.830 45.100 0.019 0.000 0.796 619 G HN 0.946 nan 8.290 nan 0.000 0.494 620 A N -1.130 121.701 122.820 0.018 0.000 2.608 620 A HA 0.771 5.073 4.320 -0.029 0.000 0.292 620 A C -1.985 175.605 177.584 0.009 0.000 1.066 620 A CA -0.536 51.505 52.037 0.006 0.000 0.676 620 A CB 1.804 20.802 19.000 -0.002 0.000 1.277 620 A HN 2.079 nan 8.150 nan 0.000 0.413 621 L N 1.288 122.506 121.223 -0.008 0.000 2.280 621 L HA 0.799 5.121 4.340 -0.029 0.000 0.287 621 L C -0.223 176.616 176.870 -0.052 0.000 1.023 621 L CA 0.042 54.874 54.840 -0.013 0.000 0.819 621 L CB 0.684 42.735 42.059 -0.013 0.000 1.212 621 L HN 0.693 nan 8.230 nan 0.000 0.420 622 R N 3.300 123.758 120.500 -0.070 0.000 2.686 622 R HA 0.600 4.923 4.340 -0.029 0.000 0.283 622 R C -1.148 175.008 176.300 -0.240 0.000 0.978 622 R CA -0.825 55.163 56.100 -0.187 0.000 0.897 622 R CB 2.135 32.307 30.300 -0.214 0.000 1.192 622 R HN 0.633 nan 8.270 nan 0.000 0.457 623 S N 1.350 116.845 115.700 -0.341 0.000 2.501 623 S HA 0.460 4.913 4.470 -0.029 0.000 0.301 623 S C -1.027 173.226 174.600 -0.578 0.000 1.096 623 S CA -0.605 57.392 58.200 -0.340 0.000 1.063 623 S CB 0.756 63.830 63.200 -0.211 0.000 1.042 623 S HN 0.553 nan 8.310 nan 0.000 0.494 624 H N 3.384 122.070 119.070 -0.640 0.000 2.679 624 H HA 0.346 4.885 4.556 -0.029 0.000 0.360 624 H C -0.520 174.572 175.328 -0.394 0.000 1.105 624 H CA -0.791 54.861 56.048 -0.660 0.000 1.196 624 H CB 1.513 30.480 29.762 -1.326 0.000 1.636 624 H HN 0.600 nan 8.280 nan 0.000 0.531 625 L N 1.122 122.294 121.223 -0.085 0.000 2.456 625 L HA 0.235 4.557 4.340 -0.029 0.000 0.272 625 L C 0.194 177.115 176.870 0.084 0.000 1.189 625 L CA -0.203 54.621 54.840 -0.027 0.000 0.846 625 L CB 0.145 42.172 42.059 -0.052 0.000 1.111 625 L HN 0.394 nan 8.230 nan 0.000 0.475 626 N N 2.708 121.447 118.700 0.064 0.000 2.406 626 N HA 0.387 5.109 4.740 -0.029 0.000 0.251 626 N C 0.943 176.406 175.510 -0.078 0.000 1.069 626 N CA 0.901 53.987 53.050 0.060 0.000 0.947 626 N CB 1.331 39.830 38.487 0.020 0.000 1.111 626 N HN 1.070 nan 8.380 nan 0.000 0.497 627 G N 2.531 111.343 108.800 0.019 0.000 5.353 627 G HA2 -0.293 3.649 3.960 -0.029 0.000 0.283 627 G HA3 -0.293 3.649 3.960 -0.029 0.000 0.283 627 G C -0.629 174.373 174.900 0.169 0.000 1.457 627 G CA 0.783 45.938 45.100 0.093 0.000 0.951 627 G HN 0.701 nan 8.290 nan 0.000 0.731 628 Y N -2.139 118.175 120.300 0.023 0.000 2.624 628 Y HA 0.783 5.316 4.550 -0.030 0.000 0.334 628 Y C 0.036 175.941 175.900 0.009 0.000 1.155 628 Y CA -0.955 57.155 58.100 0.016 0.000 1.046 628 Y CB 0.591 39.058 38.460 0.011 0.000 1.316 628 Y HN 1.523 nan 8.280 nan 0.000 0.457 629 A N 1.323 124.229 122.820 0.143 0.000 2.566 629 A HA 0.415 4.717 4.320 -0.029 0.000 0.245 629 A C 1.450 179.097 177.584 0.104 0.000 1.056 629 A CA 1.190 53.269 52.037 0.071 0.000 0.757 629 A CB -1.363 17.683 19.000 0.078 0.000 0.979 629 A HN 2.381 nan 8.150 nan 0.000 0.508 630 G N 1.502 110.304 108.800 0.003 0.000 2.157 630 G HA2 -0.254 3.688 3.960 -0.029 0.000 0.248 630 G HA3 -0.254 3.688 3.960 -0.029 0.000 0.248 630 G C 1.194 176.069 174.900 -0.042 0.000 0.979 630 G CA 1.094 46.206 45.100 0.021 0.000 0.650 630 G HN 2.124 nan 8.290 nan 0.000 0.529 631 S N -0.291 115.219 115.700 -0.317 0.000 2.447 631 S HA 0.327 4.780 4.470 -0.029 0.000 0.233 631 S C 2.402 176.872 174.600 -0.216 0.000 1.006 631 S CA 1.561 59.449 58.200 -0.522 0.000 0.957 631 S CB -0.202 62.400 63.200 -0.996 0.000 0.773 631 S HN 2.402 nan 8.310 nan 0.000 0.507 632 G N 0.038 108.752 108.800 -0.144 0.000 2.143 632 G HA2 -0.209 3.733 3.960 -0.029 0.000 0.248 632 G HA3 -0.209 3.733 3.960 -0.029 0.000 0.248 632 G C -0.009 174.843 174.900 -0.079 0.000 0.991 632 G CA 0.367 45.417 45.100 -0.083 0.000 0.689 632 G HN 1.248 nan 8.290 nan 0.000 0.522 633 S N -1.005 114.631 115.700 -0.106 0.000 2.546 633 S HA 0.940 5.392 4.470 -0.029 0.000 0.272 633 S C -0.198 174.377 174.600 -0.042 0.000 1.140 633 S CA 0.769 58.928 58.200 -0.069 0.000 0.920 633 S CB 1.681 64.830 63.200 -0.084 0.000 1.083 633 S HN 1.970 nan 8.310 nan 0.000 0.476 634 A N 3.528 126.357 122.820 0.014 0.000 2.569 634 A HA 0.929 5.231 4.320 -0.029 0.000 0.290 634 A C -1.588 176.108 177.584 0.187 0.000 1.136 634 A CA -0.866 51.205 52.037 0.058 0.000 0.710 634 A CB 1.262 20.248 19.000 -0.024 0.000 1.303 634 A HN 1.073 nan 8.150 nan 0.000 0.413 635 W N 0.466 121.776 121.300 0.016 0.000 2.844 635 W HA 0.727 5.370 4.660 -0.028 0.000 0.340 635 W C -1.577 174.991 176.519 0.081 0.000 1.093 635 W CA -0.764 56.598 57.345 0.028 0.000 1.212 635 W CB 0.904 30.365 29.460 0.000 0.000 1.422 635 W HN 0.583 nan 8.180 nan 0.000 0.515 636 T N 2.912 117.645 114.554 0.299 0.000 2.855 636 T HA 0.418 4.751 4.350 -0.029 0.000 0.281 636 T C -0.617 174.241 174.700 0.263 0.000 1.007 636 T CA -0.453 61.735 62.100 0.147 0.000 1.009 636 T CB 2.180 71.103 68.868 0.091 0.000 0.983 636 T HN 0.476 nan 8.240 nan 0.000 0.455 637 E N 1.696 122.002 120.200 0.177 0.000 2.367 637 E HA 0.707 5.039 4.350 -0.029 0.000 0.273 637 E C -1.626 175.045 176.600 0.119 0.000 0.903 637 E CA -1.157 55.375 56.400 0.220 0.000 0.764 637 E CB 1.703 31.605 29.700 0.335 0.000 1.252 637 E HN 0.271 nan 8.360 nan 0.000 0.446 638 L N 2.123 123.413 121.223 0.111 0.000 2.319 638 L HA 0.490 4.813 4.340 -0.029 0.000 0.281 638 L C -0.739 176.179 176.870 0.079 0.000 1.005 638 L CA 0.078 54.962 54.840 0.074 0.000 0.828 638 L CB 1.775 43.871 42.059 0.062 0.000 1.227 638 L HN 0.872 nan 8.230 nan 0.000 0.415 639 T N 2.008 116.602 114.554 0.067 0.000 2.930 639 T HA 0.986 5.318 4.350 -0.029 0.000 0.290 639 T C -0.613 174.115 174.700 0.047 0.000 1.052 639 T CA -0.369 61.770 62.100 0.066 0.000 1.017 639 T CB 1.947 70.860 68.868 0.076 0.000 1.137 639 T HN 0.885 nan 8.240 nan 0.000 0.511 640 A N 1.417 124.264 122.820 0.045 0.000 2.515 640 A HA 0.703 5.005 4.320 -0.029 0.000 0.298 640 A C -0.931 176.672 177.584 0.032 0.000 1.059 640 A CA -0.901 51.156 52.037 0.034 0.000 0.698 640 A CB 1.454 20.473 19.000 0.031 0.000 1.289 640 A HN 1.062 nan 8.150 nan 0.000 0.404 641 L N 1.589 122.827 121.223 0.026 0.000 2.410 641 L HA 0.606 4.929 4.340 -0.029 0.000 0.273 641 L C 0.335 177.218 176.870 0.021 0.000 1.152 641 L CA 1.086 55.940 54.840 0.023 0.000 0.855 641 L CB 0.997 43.067 42.059 0.018 0.000 1.129 641 L HN 0.754 nan 8.230 nan 0.000 0.463 642 S N 2.815 118.527 115.700 0.021 0.000 2.541 642 S HA 0.611 5.063 4.470 -0.029 0.000 0.271 642 S C 0.287 174.896 174.600 0.016 0.000 1.133 642 S CA -0.184 58.026 58.200 0.018 0.000 0.876 642 S CB 1.292 64.504 63.200 0.019 0.000 1.105 642 S HN 1.498 nan 8.310 nan 0.000 0.470 643 G N 2.194 111.002 108.800 0.013 0.000 2.379 643 G HA2 -0.252 3.691 3.960 -0.029 0.000 0.297 643 G HA3 -0.252 3.691 3.960 -0.029 0.000 0.297 643 G C 0.534 175.441 174.900 0.012 0.000 1.004 643 G CA 0.928 46.035 45.100 0.011 0.000 0.921 643 G HN 1.772 nan 8.290 nan 0.000 0.511 644 S N -2.443 113.264 115.700 0.012 0.000 3.445 644 S HA -0.226 4.226 4.470 -0.029 0.000 0.319 644 S C 0.808 175.417 174.600 0.015 0.000 1.209 644 S CA 1.516 59.723 58.200 0.012 0.000 0.934 644 S CB -1.378 61.828 63.200 0.010 0.000 0.999 644 S HN 1.441 nan 8.310 nan 0.000 0.582 645 T N 2.985 117.550 114.554 0.018 0.000 2.788 645 T HA 0.458 4.791 4.350 -0.029 0.000 0.296 645 T C -2.481 172.234 174.700 0.025 0.000 1.009 645 T CA -1.306 60.807 62.100 0.022 0.000 0.949 645 T CB 1.442 70.324 68.868 0.023 0.000 0.946 645 T HN -0.083 nan 8.240 nan 0.000 0.453 646 P HA 0.133 nan 4.420 nan 0.000 0.266 646 P C 0.300 177.624 177.300 0.039 0.000 1.195 646 P CA 0.011 63.128 63.100 0.028 0.000 0.768 646 P CB 0.286 32.001 31.700 0.025 0.000 0.838 647 N N 0.277 119.003 118.700 0.044 0.000 2.741 647 N HA -0.236 4.486 4.740 -0.029 0.000 0.250 647 N C 0.906 176.453 175.510 0.061 0.000 1.115 647 N CA 1.063 54.149 53.050 0.060 0.000 0.724 647 N CB -1.587 36.947 38.487 0.078 0.000 1.090 647 N HN 0.527 nan 8.380 nan 0.000 0.558 648 A N -0.504 122.344 122.820 0.047 0.000 1.933 648 A HA 0.081 4.384 4.320 -0.029 0.000 0.218 648 A C 1.037 178.647 177.584 0.045 0.000 1.175 648 A CA 1.435 53.497 52.037 0.043 0.000 0.628 648 A CB 0.424 19.444 19.000 0.033 0.000 0.814 648 A HN 0.135 nan 8.150 nan 0.000 0.444 649 V N 0.107 120.049 119.914 0.047 0.000 2.444 649 V HA 0.582 4.684 4.120 -0.029 0.000 0.294 649 V C -0.400 175.729 176.094 0.059 0.000 1.022 649 V CA -0.180 62.147 62.300 0.046 0.000 0.850 649 V CB 1.329 33.175 31.823 0.039 0.000 0.992 649 V HN 0.294 nan 8.190 nan 0.000 0.426 650 S N 5.369 121.108 115.700 0.066 0.000 2.677 650 S HA 0.625 5.078 4.470 -0.029 0.000 0.283 650 S C -1.205 173.446 174.600 0.085 0.000 1.159 650 S CA -0.500 57.755 58.200 0.092 0.000 1.001 650 S CB 1.283 64.555 63.200 0.121 0.000 1.032 650 S HN 0.727 nan 8.310 nan 0.000 0.487 651 L N 5.538 126.815 121.223 0.091 0.000 2.276 651 L HA 0.641 4.964 4.340 -0.029 0.000 0.286 651 L C -0.807 176.138 176.870 0.125 0.000 1.061 651 L CA -0.190 54.700 54.840 0.083 0.000 0.807 651 L CB 0.533 42.633 42.059 0.069 0.000 1.177 651 L HN 0.661 nan 8.230 nan 0.000 0.429 652 K N 4.715 125.180 120.400 0.108 0.000 2.378 652 K HA 0.609 4.911 4.320 -0.029 0.000 0.252 652 K C -1.502 175.168 176.600 0.116 0.000 0.931 652 K CA -0.840 55.548 56.287 0.168 0.000 0.794 652 K CB 2.720 35.236 32.500 0.026 0.000 1.181 652 K HN 0.297 nan 8.250 nan 0.000 0.425 653 V N 2.990 123.014 119.914 0.184 0.000 2.409 653 V HA 0.182 4.284 4.120 -0.029 0.000 0.291 653 V C 0.317 176.510 176.094 0.165 0.000 1.020 653 V CA -0.577 61.802 62.300 0.132 0.000 0.848 653 V CB 0.962 32.854 31.823 0.116 0.000 0.990 653 V HN 1.003 nan 8.190 nan 0.000 0.430 654 N N 2.537 121.291 118.700 0.091 0.000 2.829 654 N HA -0.194 4.528 4.740 -0.029 0.000 0.250 654 N C 0.374 175.894 175.510 0.017 0.000 1.090 654 N CA 1.001 54.094 53.050 0.073 0.000 0.781 654 N CB -0.787 37.757 38.487 0.095 0.000 1.124 654 N HN 0.807 nan 8.380 nan 0.000 0.559 655 R N 0.089 120.500 120.500 -0.148 0.000 2.570 655 R HA 0.348 4.670 4.340 -0.029 0.000 0.277 655 R C 1.402 177.508 176.300 -0.324 0.000 1.039 655 R CA 1.300 57.054 56.100 -0.577 0.000 1.065 655 R CB -0.338 29.337 30.300 -1.042 0.000 0.964 655 R HN 0.441 nan 8.270 nan 0.000 0.428 656 G N 3.214 111.796 108.800 -0.364 0.000 2.162 656 G HA2 -0.349 3.593 3.960 -0.029 0.000 0.260 656 G HA3 -0.349 3.593 3.960 -0.029 0.000 0.260 656 G C 0.308 174.786 174.900 -0.704 0.000 0.976 656 G CA 0.644 45.428 45.100 -0.527 0.000 0.655 656 G HN 0.986 nan 8.290 nan 0.000 0.533 657 D N -2.636 117.550 120.400 -0.356 0.000 2.911 657 D HA -0.216 4.406 4.640 -0.029 0.000 0.227 657 D C 0.846 177.006 176.300 -0.233 0.000 1.164 657 D CA 1.663 55.522 54.000 -0.235 0.000 0.782 657 D CB -1.326 39.363 40.800 -0.185 0.000 1.094 657 D HN 0.662 nan 8.370 nan 0.000 0.425 658 Y N 0.029 120.307 120.300 -0.036 0.000 2.546 658 Y HA 0.152 4.685 4.550 -0.028 0.000 0.287 658 Y C 1.524 177.410 175.900 -0.024 0.000 1.158 658 Y CA 0.998 59.077 58.100 -0.035 0.000 1.307 658 Y CB 0.074 38.502 38.460 -0.054 0.000 1.036 658 Y HN 0.040 nan 8.280 nan 0.000 0.532 659 K N -0.345 120.110 120.400 0.091 0.000 3.160 659 K HA -0.206 4.097 4.320 -0.029 0.000 0.280 659 K C 0.272 176.908 176.600 0.059 0.000 1.154 659 K CA 0.987 57.310 56.287 0.061 0.000 0.822 659 K CB -1.784 30.744 32.500 0.047 0.000 1.239 659 K HN 0.274 nan 8.250 nan 0.000 0.489 660 T N -0.788 113.807 114.554 0.067 0.000 2.883 660 T HA 0.538 4.871 4.350 -0.029 0.000 0.284 660 T C -0.713 174.005 174.700 0.030 0.000 1.041 660 T CA -0.395 61.729 62.100 0.040 0.000 1.007 660 T CB 1.571 70.453 68.868 0.023 0.000 1.220 660 T HN 0.085 nan 8.240 nan 0.000 0.552 661 T N 2.608 117.172 114.554 0.017 0.000 2.792 661 T HA 0.445 4.778 4.350 -0.029 0.000 0.280 661 T C -0.882 173.818 174.700 0.000 0.000 0.990 661 T CA -0.600 61.511 62.100 0.018 0.000 0.960 661 T CB 1.103 69.985 68.868 0.023 0.000 0.939 661 T HN 0.519 nan 8.240 nan 0.000 0.439 662 E N 2.693 122.889 120.200 -0.008 0.000 2.115 662 E HA 0.414 4.746 4.350 -0.029 0.000 0.282 662 E C -0.566 176.035 176.600 0.002 0.000 0.987 662 E CA -0.360 56.027 56.400 -0.021 0.000 0.797 662 E CB 1.142 30.808 29.700 -0.058 0.000 1.086 662 E HN 0.521 nan 8.360 nan 0.000 0.397 663 I N 5.186 125.758 120.570 0.004 0.000 2.362 663 I HA 0.268 4.421 4.170 -0.029 0.000 0.289 663 I C -2.126 174.003 176.117 0.021 0.000 0.994 663 I CA -2.381 58.931 61.300 0.018 0.000 1.158 663 I CB 1.327 39.337 38.000 0.018 0.000 1.315 663 I HN 0.265 nan 8.210 nan 0.000 0.451 664 P HA 0.225 nan 4.420 nan 0.000 0.268 664 P C -0.732 176.593 177.300 0.042 0.000 1.204 664 P CA 0.022 63.142 63.100 0.034 0.000 0.768 664 P CB 0.384 32.107 31.700 0.038 0.000 0.842 665 I N -1.714 118.884 120.570 0.046 0.000 3.002 665 I HA 0.602 4.754 4.170 -0.029 0.000 0.310 665 I C -0.391 175.771 176.117 0.077 0.000 1.087 665 I CA -1.144 60.197 61.300 0.068 0.000 1.017 665 I CB 2.404 40.444 38.000 0.065 0.000 1.226 665 I HN 0.137 nan 8.210 nan 0.000 0.443 666 S N 2.068 117.835 115.700 0.112 0.000 2.523 666 S HA 0.412 4.864 4.470 -0.029 0.000 0.275 666 S C 1.055 175.720 174.600 0.110 0.000 1.281 666 S CA 0.107 58.366 58.200 0.098 0.000 1.050 666 S CB 0.852 64.109 63.200 0.095 0.000 0.937 666 S HN 0.952 nan 8.310 nan 0.000 0.492 667 G N 3.086 111.928 108.800 0.070 0.000 2.813 667 G HA2 0.157 4.099 3.960 -0.029 0.000 0.209 667 G HA3 0.157 4.099 3.960 -0.029 0.000 0.209 667 G C 0.545 175.485 174.900 0.067 0.000 1.150 667 G CA 0.644 45.783 45.100 0.065 0.000 0.785 667 G HN 0.838 nan 8.290 nan 0.000 0.535 668 T N -2.743 111.845 114.554 0.058 0.000 2.942 668 T HA 0.565 4.897 4.350 -0.029 0.000 0.289 668 T C -0.329 174.374 174.700 0.006 0.000 1.044 668 T CA -0.813 61.304 62.100 0.027 0.000 1.023 668 T CB 2.273 71.135 68.868 -0.011 0.000 1.123 668 T HN -0.107 nan 8.240 nan 0.000 0.512 669 V N 2.465 122.345 119.914 -0.057 0.000 2.493 669 V HA 0.137 4.240 4.120 -0.029 0.000 0.292 669 V C 0.538 176.380 176.094 -0.420 0.000 1.016 669 V CA -0.243 61.908 62.300 -0.249 0.000 1.097 669 V CB -0.280 31.423 31.823 -0.200 0.000 0.947 669 V HN 0.681 nan 8.190 nan 0.000 0.479 670 L N 8.703 129.443 121.223 -0.806 0.000 2.380 670 L HA 0.337 4.659 4.340 -0.029 0.000 0.273 670 L C -1.521 175.112 176.870 -0.395 0.000 1.138 670 L CA -1.431 53.102 54.840 -0.513 0.000 0.832 670 L CB 1.129 42.895 42.059 -0.490 0.000 1.124 670 L HN 0.509 nan 8.230 nan 0.000 0.454 671 P HA 0.060 nan 4.420 nan 0.000 0.272 671 P C -0.291 176.932 177.300 -0.128 0.000 1.240 671 P CA -0.430 62.575 63.100 -0.158 0.000 0.791 671 P CB 0.938 32.575 31.700 -0.105 0.000 0.978 672 D N 0.531 120.878 120.400 -0.089 0.000 2.158 672 D HA -0.180 4.443 4.640 -0.029 0.000 0.197 672 D C 1.491 177.768 176.300 -0.038 0.000 0.995 672 D CA 1.580 55.548 54.000 -0.053 0.000 0.846 672 D CB -0.293 40.486 40.800 -0.034 0.000 0.941 672 D HN 0.500 nan 8.370 nan 0.000 0.456 673 E N -0.378 119.798 120.200 -0.040 0.000 2.409 673 E HA 0.002 4.334 4.350 -0.029 0.000 0.198 673 E C 2.038 178.624 176.600 -0.025 0.000 1.024 673 E CA 0.827 57.211 56.400 -0.027 0.000 0.861 673 E CB -0.454 29.230 29.700 -0.027 0.000 0.788 673 E HN 0.290 nan 8.360 nan 0.000 0.521 674 G N 0.387 109.163 108.800 -0.039 0.000 2.586 674 G HA2 -0.077 3.865 3.960 -0.029 0.000 0.215 674 G HA3 -0.077 3.865 3.960 -0.029 0.000 0.215 674 G C 0.264 175.164 174.900 0.000 0.000 1.128 674 G CA 0.239 45.322 45.100 -0.028 0.000 0.774 674 G HN 0.208 nan 8.290 nan 0.000 0.543 675 V N -0.082 119.836 119.914 0.006 0.000 2.709 675 V HA 0.588 4.690 4.120 -0.029 0.000 0.308 675 V C 0.407 176.510 176.094 0.014 0.000 1.062 675 V CA -0.853 61.459 62.300 0.021 0.000 0.901 675 V CB 2.010 33.856 31.823 0.037 0.000 1.003 675 V HN 0.085 nan 8.190 nan 0.000 0.425 676 L N 4.158 125.391 121.223 0.016 0.000 2.546 676 L HA 0.594 4.917 4.340 -0.029 0.000 0.182 676 L C 0.587 177.465 176.870 0.014 0.000 1.167 676 L CA 1.063 55.910 54.840 0.013 0.000 0.845 676 L CB 0.085 42.151 42.059 0.011 0.000 1.134 676 L HN 0.651 nan 8.230 nan 0.000 0.500 677 D N 0.674 121.084 120.400 0.017 0.000 2.304 677 D HA 0.265 4.887 4.640 -0.029 0.000 0.247 677 D C 0.126 176.437 176.300 0.018 0.000 1.089 677 D CA -0.063 53.946 54.000 0.016 0.000 0.910 677 D CB 1.017 41.827 40.800 0.016 0.000 1.199 677 D HN 0.108 nan 8.370 nan 0.000 0.426 678 I N 2.191 122.771 120.570 0.016 0.000 2.775 678 I HA -0.183 3.970 4.170 -0.029 0.000 0.290 678 I C 0.550 176.678 176.117 0.018 0.000 1.203 678 I CA 0.316 61.626 61.300 0.017 0.000 1.433 678 I CB 0.055 38.064 38.000 0.015 0.000 1.354 678 I HN 0.326 nan 8.210 nan 0.000 0.579 679 N N 2.543 121.256 118.700 0.021 0.000 2.758 679 N HA -0.154 4.569 4.740 -0.029 0.000 0.248 679 N C -0.368 175.155 175.510 0.023 0.000 1.076 679 N CA 1.167 54.229 53.050 0.021 0.000 0.696 679 N CB -1.291 37.206 38.487 0.017 0.000 0.979 679 N HN 0.892 nan 8.380 nan 0.000 0.550 680 T N -2.945 111.626 114.554 0.027 0.000 2.906 680 T HA 0.756 5.089 4.350 -0.029 0.000 0.295 680 T C -0.050 174.674 174.700 0.041 0.000 1.075 680 T CA -0.966 61.153 62.100 0.031 0.000 1.005 680 T CB 2.924 71.810 68.868 0.029 0.000 1.136 680 T HN 0.194 nan 8.240 nan 0.000 0.498 681 M N 1.910 121.537 119.600 0.045 0.000 2.327 681 M HA 0.603 5.066 4.480 -0.029 0.000 0.298 681 M C -1.642 174.701 176.300 0.071 0.000 1.065 681 M CA -0.394 54.943 55.300 0.061 0.000 0.916 681 M CB 2.093 34.723 32.600 0.050 0.000 1.630 681 M HN 0.775 nan 8.290 nan 0.000 0.442 682 S N 4.715 120.476 115.700 0.101 0.000 2.503 682 S HA 0.714 5.166 4.470 -0.029 0.000 0.301 682 S C -0.866 173.843 174.600 0.182 0.000 1.087 682 S CA -0.757 57.514 58.200 0.119 0.000 1.042 682 S CB 1.695 64.963 63.200 0.113 0.000 1.043 682 S HN 0.694 nan 8.310 nan 0.000 0.489 683 L N 3.328 124.647 121.223 0.160 0.000 2.331 683 L HA 0.728 5.051 4.340 -0.029 0.000 0.275 683 L C -0.866 176.154 176.870 0.250 0.000 1.022 683 L CA -0.857 54.075 54.840 0.154 0.000 0.812 683 L CB 1.070 43.171 42.059 0.070 0.000 1.257 683 L HN 0.842 nan 8.230 nan 0.000 0.435 684 Y N 0.360 120.718 120.300 0.097 0.000 2.656 684 Y HA 0.681 5.216 4.550 -0.024 0.000 0.334 684 Y C -1.722 174.252 175.900 0.123 0.000 1.179 684 Y CA -1.456 56.691 58.100 0.080 0.000 1.050 684 Y CB 1.036 39.523 38.460 0.044 0.000 1.308 684 Y HN 0.249 nan 8.280 nan 0.000 0.456 685 L N 2.528 123.882 121.223 0.217 0.000 2.309 685 L HA 0.546 4.869 4.340 -0.029 0.000 0.282 685 L C -1.069 175.920 176.870 0.198 0.000 1.036 685 L CA -0.485 54.445 54.840 0.150 0.000 0.806 685 L CB 1.503 43.628 42.059 0.110 0.000 1.220 685 L HN 0.708 nan 8.230 nan 0.000 0.429 686 D N 2.825 123.316 120.400 0.152 0.000 2.763 686 D HA 0.417 5.039 4.640 -0.029 0.000 0.235 686 D C 0.059 176.427 176.300 0.113 0.000 1.334 686 D CA -0.045 53.989 54.000 0.057 0.000 0.950 686 D CB 1.907 42.565 40.800 -0.237 0.000 1.433 686 D HN 0.696 nan 8.370 nan 0.000 0.580 687 A N 2.819 125.682 122.820 0.073 0.000 2.745 687 A HA 0.079 4.381 4.320 -0.029 0.000 0.296 687 A C 1.514 179.154 177.584 0.094 0.000 1.500 687 A CA 1.946 54.029 52.037 0.078 0.000 0.766 687 A CB -2.086 16.964 19.000 0.084 0.000 1.030 687 A HN 1.878 nan 8.150 nan 0.000 0.489 688 G N -3.360 105.491 108.800 0.086 0.000 2.184 688 G HA2 0.185 4.128 3.960 -0.029 0.000 0.264 688 G HA3 0.185 4.128 3.960 -0.029 0.000 0.264 688 G C 0.712 175.657 174.900 0.076 0.000 0.975 688 G CA 1.326 46.467 45.100 0.068 0.000 0.642 688 G HN 2.590 nan 8.290 nan 0.000 0.536 689 A N -0.657 122.245 122.820 0.136 0.000 2.320 689 A HA 0.858 5.160 4.320 -0.029 0.000 0.334 689 A C -0.182 177.481 177.584 0.132 0.000 1.147 689 A CA -0.556 51.546 52.037 0.108 0.000 0.820 689 A CB 1.500 20.583 19.000 0.139 0.000 1.218 689 A HN 1.290 nan 8.150 nan 0.000 0.482 690 L N 1.157 122.367 121.223 -0.021 0.000 2.290 690 L HA 0.613 4.935 4.340 -0.029 0.000 0.284 690 L C -1.286 175.461 176.870 -0.205 0.000 1.078 690 L CA 0.160 54.963 54.840 -0.061 0.000 0.815 690 L CB 0.083 42.092 42.059 -0.084 0.000 1.162 690 L HN 0.672 nan 8.230 nan 0.000 0.435 691 W N 3.809 124.844 121.300 -0.442 0.000 2.781 691 W HA 0.782 5.437 4.660 -0.008 0.000 0.345 691 W C -0.556 175.670 176.519 -0.489 0.000 1.085 691 W CA -0.615 56.393 57.345 -0.561 0.000 1.198 691 W CB 1.908 30.754 29.460 -1.025 0.000 1.423 691 W HN 0.655 nan 8.180 nan 0.000 0.532 692 A N 2.556 125.385 122.820 0.015 0.000 2.318 692 A HA 0.740 5.043 4.320 -0.029 0.000 0.324 692 A C -1.813 175.943 177.584 0.286 0.000 1.170 692 A CA -0.730 51.376 52.037 0.114 0.000 0.810 692 A CB 0.975 20.010 19.000 0.059 0.000 1.198 692 A HN 0.636 nan 8.150 nan 0.000 0.484 693 L N 3.760 125.194 121.223 0.352 0.000 2.265 693 L HA 0.692 5.014 4.340 -0.029 0.000 0.289 693 L C -0.946 176.018 176.870 0.157 0.000 1.033 693 L CA -0.041 54.970 54.840 0.284 0.000 0.814 693 L CB 0.247 42.455 42.059 0.248 0.000 1.203 693 L HN 0.573 nan 8.230 nan 0.000 0.423 694 I N 4.919 125.562 120.570 0.121 0.000 2.498 694 I HA 0.468 4.621 4.170 -0.029 0.000 0.290 694 I C -0.252 175.903 176.117 0.062 0.000 1.032 694 I CA -0.787 60.562 61.300 0.081 0.000 1.073 694 I CB 1.965 40.008 38.000 0.071 0.000 1.251 694 I HN 0.548 nan 8.210 nan 0.000 0.426 695 R N 6.516 127.044 120.500 0.047 0.000 2.207 695 R HA 0.550 4.872 4.340 -0.029 0.000 0.334 695 R C -0.937 175.382 176.300 0.031 0.000 1.013 695 R CA -0.494 55.627 56.100 0.036 0.000 0.858 695 R CB 0.661 30.978 30.300 0.029 0.000 1.094 695 R HN 0.594 nan 8.270 nan 0.000 0.457 696 L N 6.294 127.535 121.223 0.029 0.000 2.475 696 L HA 0.275 4.598 4.340 -0.029 0.000 0.253 696 L C -1.348 175.533 176.870 0.020 0.000 1.198 696 L CA -2.053 52.802 54.840 0.025 0.000 0.814 696 L CB 0.710 42.784 42.059 0.025 0.000 1.134 696 L HN 0.510 nan 8.230 nan 0.000 0.478 697 P HA -0.180 nan 4.420 nan 0.000 0.217 697 P C 0.549 177.856 177.300 0.013 0.000 1.148 697 P CA 1.174 64.283 63.100 0.014 0.000 0.828 697 P CB -0.017 31.690 31.700 0.012 0.000 0.783 698 D N -1.953 118.455 120.400 0.013 0.000 2.349 698 D HA 0.050 4.673 4.640 -0.029 0.000 0.224 698 D C 1.445 177.752 176.300 0.012 0.000 1.029 698 D CA 0.736 54.743 54.000 0.012 0.000 0.879 698 D CB -0.915 39.892 40.800 0.012 0.000 0.906 698 D HN 0.237 nan 8.370 nan 0.000 0.528 699 G N -0.023 108.785 108.800 0.014 0.000 2.195 699 G HA2 -0.289 3.654 3.960 -0.029 0.000 0.246 699 G HA3 -0.289 3.654 3.960 -0.029 0.000 0.246 699 G C 0.453 175.362 174.900 0.015 0.000 0.984 699 G CA 0.460 45.569 45.100 0.014 0.000 0.633 699 G HN 0.858 nan 8.290 nan 0.000 0.525 700 S N -0.278 115.433 115.700 0.017 0.000 2.645 700 S HA 0.716 5.168 4.470 -0.029 0.000 0.266 700 S C 0.007 174.622 174.600 0.025 0.000 1.258 700 S CA -0.039 58.172 58.200 0.019 0.000 0.990 700 S CB 1.806 65.017 63.200 0.019 0.000 0.967 700 S HN 0.473 nan 8.310 nan 0.000 0.556 701 K N 0.201 120.617 120.400 0.027 0.000 2.203 701 K HA 0.654 4.957 4.320 -0.029 0.000 0.251 701 K C -0.593 176.036 176.600 0.050 0.000 0.944 701 K CA -0.625 55.684 56.287 0.037 0.000 0.829 701 K CB 1.998 34.515 32.500 0.029 0.000 1.125 701 K HN 0.695 nan 8.250 nan 0.000 0.430 702 T N 0.958 115.554 114.554 0.071 0.000 2.864 702 T HA 0.479 4.811 4.350 -0.029 0.000 0.299 702 T C -1.527 173.260 174.700 0.146 0.000 1.166 702 T CA -0.851 61.305 62.100 0.093 0.000 1.007 702 T CB 1.087 70.002 68.868 0.079 0.000 1.219 702 T HN 0.505 nan 8.240 nan 0.000 0.506 703 R N 2.247 122.868 120.500 0.203 0.000 2.480 703 R HA 0.650 4.972 4.340 -0.029 0.000 0.306 703 R C -0.748 175.782 176.300 0.383 0.000 0.958 703 R CA -0.579 55.729 56.100 0.347 0.000 0.861 703 R CB 1.829 32.358 30.300 0.381 0.000 1.171 703 R HN 0.488 nan 8.270 nan 0.000 0.445 704 M N 2.334 122.114 119.600 0.301 0.000 2.253 704 M HA 0.351 4.814 4.480 -0.029 0.000 0.314 704 M C -0.545 175.574 176.300 -0.302 0.000 1.019 704 M CA -0.726 54.588 55.300 0.024 0.000 0.932 704 M CB 2.479 35.070 32.600 -0.015 0.000 1.606 704 M HN 0.284 nan 8.290 nan 0.000 0.430 705 K N 3.274 123.155 120.400 -0.864 0.000 2.297 705 K HA 0.339 4.641 4.320 -0.029 0.000 0.286 705 K C 0.112 176.327 176.600 -0.641 0.000 1.053 705 K CA -0.130 55.356 56.287 -1.334 0.000 0.940 705 K CB 0.772 32.315 32.500 -1.595 0.000 1.019 705 K HN 0.814 nan 8.250 nan 0.000 0.475 706 L N 2.192 123.106 121.223 -0.515 0.000 2.470 706 L HA 0.063 4.385 4.340 -0.029 0.000 0.219 706 L C 0.977 177.708 176.870 -0.232 0.000 1.071 706 L CA -0.077 54.593 54.840 -0.283 0.000 0.850 706 L CB 0.192 42.133 42.059 -0.197 0.000 1.040 706 L HN 0.608 nan 8.230 nan 0.000 0.475 707 S N -0.507 115.038 115.700 -0.259 0.000 2.707 707 S HA 0.503 4.955 4.470 -0.029 0.000 0.276 707 S C -0.248 174.249 174.600 -0.173 0.000 1.179 707 S CA -0.638 57.459 58.200 -0.173 0.000 0.992 707 S CB 2.480 65.602 63.200 -0.130 0.000 1.030 707 S HN -0.032 nan 8.310 nan 0.000 0.554 708 V N 0.000 119.846 119.914 -0.114 0.000 2.409 708 V HA 0.000 4.102 4.120 -0.029 0.000 0.244 708 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 708 V CB 0.000 31.780 31.823 -0.071 0.000 1.184 708 V HN 0.000 nan 8.190 nan 0.000 0.556