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 1djw_1_A DATA FIRST_RESID 200 DATA SEQUENCE EIETFYKMLT QRAEIDRAFE EAAGSAETLS VERLVTFLQH QQREEEAGPA DATA SEQUENCE LALSLIERYE PSETAKAQRQ MTKDGFLMYL LSADGNAFSL AHRRVYQDMD DATA SEQUENCE QPLSHYLVSS SHNTYLLEDQ LTGPSSTEAY IRALCKGCRC LELDCWDGPN DATA SEQUENCE QEPIIYHGYT FTSKILFCDV LRAIRDYAFK ASPYPVILSL ENHCSLEQQR DATA SEQUENCE VMARHLRAIL GPILLDQPLD GVTTSLPSPE QLKGKILLKG KKLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXKLV PELSDMIIYC DATA SEQUENCE KSVHFGGFSS PGTSGQAFYE MASFSESRAL RLLQESGNGF VRHNVSCLSR DATA SEQUENCE IYPAGWRTDS SNYSPVEMWN GGCQIVALNF QTPGPEMDVY LGCFQDNGGC DATA SEQUENCE GYVLKPAFLR DPNTTFNSRA LTQGPWWRPE RLRVRIISGQ QLPKVNKNKN DATA SEQUENCE SIVDPKVIVE IHGVGRDTGS RQTAVITNNG FNPRWDMEFE FEVTVPDLAL DATA SEQUENCE VRFMVEDYDS SSKNDFIGQS TIPWNSLKQG YRHVHLLSKN GDQHPSATLF DATA SEQUENCE VKISIQD 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 200 E HA 0.000 nan 4.350 nan 0.000 0.291 200 E C 0.000 176.564 176.600 -0.060 0.000 1.382 200 E CA 0.000 56.346 56.400 -0.089 0.000 0.976 200 E CB 0.000 29.578 29.700 -0.203 0.000 0.812 201 I N 1.671 122.217 120.570 -0.041 0.000 2.454 201 I HA 0.305 4.475 4.170 -0.000 0.000 0.254 201 I C 2.501 178.691 176.117 0.122 0.000 1.156 201 I CA 3.300 64.619 61.300 0.033 0.000 1.433 201 I CB -1.770 36.243 38.000 0.022 0.000 1.082 201 I HN 0.853 nan 8.210 nan 0.000 0.432 202 E N 0.297 120.549 120.200 0.086 0.000 2.004 202 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 202 E C 2.555 179.241 176.600 0.145 0.000 0.985 202 E CA 2.564 59.022 56.400 0.098 0.000 0.832 202 E CB -1.727 28.005 29.700 0.052 0.000 0.787 202 E HN 1.051 nan 8.360 nan 0.000 0.466 203 T N 0.053 114.680 114.554 0.121 0.000 2.668 203 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 203 T C 1.872 176.743 174.700 0.285 0.000 1.041 203 T CA 2.502 64.698 62.100 0.160 0.000 1.160 203 T CB -0.730 68.214 68.868 0.127 0.000 0.857 203 T HN 0.230 nan 8.240 nan 0.000 0.455 204 F N -0.222 119.749 119.950 0.036 0.000 2.014 204 F HA 0.040 4.567 4.527 -0.000 0.000 0.295 204 F C 2.392 178.240 175.800 0.080 0.000 1.145 204 F CA 0.823 58.837 58.000 0.024 0.000 1.178 204 F CB -1.165 37.822 39.000 -0.021 0.000 0.972 204 F HN 0.311 nan 8.300 nan 0.000 0.476 205 Y N 1.281 121.681 120.300 0.166 0.000 2.256 205 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 205 Y C 2.121 178.045 175.900 0.039 0.000 1.155 205 Y CA 1.381 59.518 58.100 0.061 0.000 1.203 205 Y CB -0.554 37.941 38.460 0.058 0.000 0.980 205 Y HN 0.017 nan 8.280 nan 0.000 0.530 206 K N -1.472 119.069 120.400 0.235 0.000 2.487 206 K HA -0.052 4.268 4.320 -0.000 0.000 0.192 206 K C 1.580 178.240 176.600 0.099 0.000 1.027 206 K CA 0.465 56.825 56.287 0.122 0.000 1.054 206 K CB 0.114 32.664 32.500 0.084 0.000 0.824 206 K HN 0.321 nan 8.250 nan 0.000 0.510 207 M N 0.089 119.749 119.600 0.100 0.000 2.906 207 M HA 0.131 4.611 4.480 -0.000 0.000 0.252 207 M C 1.686 177.982 176.300 -0.006 0.000 1.359 207 M CA 0.581 55.901 55.300 0.032 0.000 1.239 207 M CB -0.351 32.259 32.600 0.016 0.000 1.229 207 M HN -0.106 nan 8.290 nan 0.000 0.547 208 L N 0.270 121.433 121.223 -0.100 0.000 2.012 208 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 208 L C 0.374 177.388 176.870 0.240 0.000 1.073 208 L CA 1.562 56.355 54.840 -0.078 0.000 0.748 208 L CB -1.834 40.023 42.059 -0.337 0.000 0.891 208 L HN 0.275 nan 8.230 nan 0.000 0.431 209 T N 0.777 115.456 114.554 0.208 0.000 3.414 209 T HA 0.330 4.680 4.350 -0.000 0.000 0.304 209 T C 0.086 174.835 174.700 0.081 0.000 1.241 209 T CA -0.132 62.084 62.100 0.192 0.000 1.076 209 T CB 0.119 69.128 68.868 0.235 0.000 1.134 209 T HN 0.251 nan 8.240 nan 0.000 0.759 210 Q N 2.204 122.031 119.800 0.045 0.000 2.487 210 Q HA 0.260 4.600 4.340 -0.000 0.000 0.234 210 Q C -1.453 174.529 176.000 -0.030 0.000 0.828 210 Q CA -0.672 55.131 55.803 0.001 0.000 0.907 210 Q CB 1.154 29.901 28.738 0.016 0.000 1.462 210 Q HN 0.494 nan 8.270 nan 0.000 0.442 211 R N 3.208 123.669 120.500 -0.064 0.000 2.272 211 R HA 0.601 4.941 4.340 -0.000 0.000 0.323 211 R C 0.561 176.823 176.300 -0.063 0.000 1.002 211 R CA 0.069 56.116 56.100 -0.089 0.000 0.900 211 R CB 1.496 31.700 30.300 -0.160 0.000 1.151 211 R HN 0.780 nan 8.270 nan 0.000 0.507 212 A N 3.531 126.332 122.820 -0.031 0.000 1.892 212 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 212 A C 2.044 179.638 177.584 0.016 0.000 1.188 212 A CA 1.832 53.867 52.037 -0.003 0.000 0.631 212 A CB -0.257 18.747 19.000 0.008 0.000 0.822 212 A HN 0.840 nan 8.150 nan 0.000 0.447 213 E N 0.184 120.401 120.200 0.029 0.000 2.160 213 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 213 E C 1.869 178.506 176.600 0.060 0.000 0.991 213 E CA 1.503 57.965 56.400 0.103 0.000 0.810 213 E CB -0.552 29.277 29.700 0.214 0.000 0.742 213 E HN 0.515 nan 8.360 nan 0.000 0.466 214 I N 2.263 122.790 120.570 -0.072 0.000 2.202 214 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 214 I C 1.888 178.050 176.117 0.076 0.000 1.091 214 I CA 1.283 62.536 61.300 -0.078 0.000 1.368 214 I CB -1.102 36.790 38.000 -0.180 0.000 1.058 214 I HN 0.047 nan 8.210 nan 0.000 0.410 215 D N 0.601 121.019 120.400 0.030 0.000 2.103 215 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 215 D C 2.275 178.625 176.300 0.083 0.000 0.997 215 D CA 1.230 55.258 54.000 0.047 0.000 0.833 215 D CB -0.351 40.459 40.800 0.016 0.000 0.961 215 D HN 0.201 nan 8.370 nan 0.000 0.447 216 R N 0.414 120.953 120.500 0.065 0.000 2.094 216 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 216 R C 2.179 178.514 176.300 0.059 0.000 1.137 216 R CA 1.695 57.834 56.100 0.065 0.000 0.943 216 R CB -0.305 30.041 30.300 0.076 0.000 0.850 216 R HN 0.153 nan 8.270 nan 0.000 0.433 217 A N 0.045 122.898 122.820 0.054 0.000 1.940 217 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 217 A C 1.971 179.530 177.584 -0.042 0.000 1.176 217 A CA 1.370 53.405 52.037 -0.004 0.000 0.631 217 A CB -0.709 18.202 19.000 -0.148 0.000 0.814 217 A HN 0.508 nan 8.150 nan 0.000 0.446 218 F N 0.494 120.289 119.950 -0.259 0.000 2.146 218 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 218 F C 2.111 177.660 175.800 -0.418 0.000 1.096 218 F CA 1.914 59.486 58.000 -0.714 0.000 1.275 218 F CB -0.330 38.349 39.000 -0.535 0.000 1.008 218 F HN 0.326 nan 8.300 nan 0.000 0.480 219 E N 0.349 120.499 120.200 -0.084 0.000 2.013 219 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 219 E C 2.095 178.597 176.600 -0.163 0.000 1.018 219 E CA 2.343 58.686 56.400 -0.094 0.000 0.834 219 E CB -0.338 29.364 29.700 0.003 0.000 0.770 219 E HN 0.653 nan 8.360 nan 0.000 0.459 220 E N 0.627 120.783 120.200 -0.074 0.000 2.114 220 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 220 E C 1.946 178.510 176.600 -0.059 0.000 1.008 220 E CA 1.607 57.998 56.400 -0.015 0.000 0.810 220 E CB -0.388 29.371 29.700 0.098 0.000 0.739 220 E HN 0.277 nan 8.360 nan 0.000 0.456 221 A N 1.361 124.072 122.820 -0.182 0.000 1.840 221 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 221 A C 2.497 179.858 177.584 -0.371 0.000 1.198 221 A CA 1.781 53.676 52.037 -0.237 0.000 0.608 221 A CB -0.905 17.748 19.000 -0.577 0.000 0.839 221 A HN 0.410 nan 8.150 nan 0.000 0.443 222 A N -1.597 120.831 122.820 -0.652 0.000 2.072 222 A HA 0.427 4.747 4.320 -0.000 0.000 0.216 222 A C 1.876 179.276 177.584 -0.307 0.000 1.156 222 A CA 1.480 53.162 52.037 -0.593 0.000 0.701 222 A CB -1.200 17.188 19.000 -1.019 0.000 0.816 222 A HN 2.033 nan 8.150 nan 0.000 0.458 223 G N -0.289 108.372 108.800 -0.233 0.000 2.566 223 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.280 223 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.280 223 G C 1.408 176.250 174.900 -0.096 0.000 1.225 223 G CA 1.570 46.596 45.100 -0.122 0.000 0.966 223 G HN 1.582 nan 8.290 nan 0.000 0.560 224 S N 0.848 116.512 115.700 -0.061 0.000 2.372 224 S HA 0.140 4.610 4.470 -0.000 0.000 0.227 224 S C 1.943 176.524 174.600 -0.031 0.000 1.044 224 S CA 2.211 60.389 58.200 -0.036 0.000 1.050 224 S CB -1.000 62.183 63.200 -0.028 0.000 0.901 224 S HN 2.469 nan 8.310 nan 0.000 0.447 225 A N 1.279 124.070 122.820 -0.049 0.000 2.577 225 A HA 0.103 4.423 4.320 -0.000 0.000 0.233 225 A C 1.010 178.600 177.584 0.010 0.000 1.076 225 A CA 0.451 52.469 52.037 -0.032 0.000 0.767 225 A CB -0.127 18.838 19.000 -0.057 0.000 1.017 225 A HN 0.652 nan 8.150 nan 0.000 0.511 226 E N -0.718 119.511 120.200 0.049 0.000 2.474 226 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 226 E C -0.299 176.418 176.600 0.194 0.000 1.039 226 E CA 0.297 56.766 56.400 0.115 0.000 0.881 226 E CB 0.328 30.061 29.700 0.055 0.000 0.970 226 E HN 0.690 nan 8.360 nan 0.000 0.486 227 T N -0.304 114.324 114.554 0.124 0.000 2.864 227 T HA 0.454 4.804 4.350 -0.000 0.000 0.299 227 T C -1.128 173.564 174.700 -0.013 0.000 1.166 227 T CA -0.561 61.625 62.100 0.143 0.000 1.007 227 T CB 1.510 70.422 68.868 0.073 0.000 1.219 227 T HN -0.042 nan 8.240 nan 0.000 0.506 228 L N 2.743 123.960 121.223 -0.010 0.000 2.305 228 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 228 L C 0.532 177.375 176.870 -0.045 0.000 1.013 228 L CA -0.709 54.048 54.840 -0.139 0.000 0.819 228 L CB 1.657 43.589 42.059 -0.212 0.000 1.227 228 L HN 0.775 nan 8.230 nan 0.000 0.417 229 S N 1.966 117.634 115.700 -0.054 0.000 2.601 229 S HA 0.189 4.659 4.470 -0.000 0.000 0.271 229 S C 1.206 175.797 174.600 -0.016 0.000 1.305 229 S CA -0.888 57.298 58.200 -0.024 0.000 1.022 229 S CB 1.876 65.061 63.200 -0.026 0.000 0.940 229 S HN 0.334 nan 8.310 nan 0.000 0.525 230 V N 1.533 121.446 119.914 -0.002 0.000 2.527 230 V HA -0.217 3.903 4.120 -0.000 0.000 0.255 230 V C 2.646 178.744 176.094 0.008 0.000 1.081 230 V CA 2.529 64.832 62.300 0.006 0.000 1.092 230 V CB -1.035 30.793 31.823 0.007 0.000 0.673 230 V HN 1.050 nan 8.190 nan 0.000 0.470 231 E N -0.579 119.620 120.200 -0.000 0.000 2.170 231 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 231 E C 2.273 178.875 176.600 0.004 0.000 0.981 231 E CA 0.229 56.631 56.400 0.003 0.000 0.830 231 E CB 0.087 29.785 29.700 -0.004 0.000 0.775 231 E HN 0.433 nan 8.360 nan 0.000 0.470 232 R N 0.285 120.775 120.500 -0.017 0.000 2.307 232 R HA -0.028 4.312 4.340 -0.000 0.000 0.199 232 R C 1.900 178.193 176.300 -0.012 0.000 1.000 232 R CA 0.189 56.268 56.100 -0.034 0.000 1.023 232 R CB 0.114 30.356 30.300 -0.097 0.000 0.908 232 R HN 0.223 nan 8.270 nan 0.000 0.473 233 L N -0.299 120.934 121.223 0.018 0.000 2.316 233 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 233 L C 1.943 178.903 176.870 0.150 0.000 1.070 233 L CA 1.063 55.947 54.840 0.073 0.000 0.820 233 L CB -0.256 41.826 42.059 0.038 0.000 0.992 233 L HN -0.238 nan 8.230 nan 0.000 0.466 234 V N 0.142 120.108 119.914 0.086 0.000 2.233 234 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 234 V C 2.462 178.619 176.094 0.104 0.000 1.050 234 V CA 2.517 64.865 62.300 0.079 0.000 1.010 234 V CB -1.282 30.567 31.823 0.043 0.000 0.637 234 V HN 0.548 nan 8.190 nan 0.000 0.444 235 T N 0.039 114.653 114.554 0.099 0.000 2.778 235 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 235 T C 1.603 176.421 174.700 0.196 0.000 1.050 235 T CA 2.137 64.302 62.100 0.108 0.000 1.137 235 T CB -0.430 68.481 68.868 0.072 0.000 0.860 235 T HN 0.478 nan 8.240 nan 0.000 0.468 236 F N 1.696 121.702 119.950 0.094 0.000 2.098 236 F HA 0.100 4.627 4.527 -0.000 0.000 0.294 236 F C 1.936 177.827 175.800 0.151 0.000 1.107 236 F CA 0.841 58.933 58.000 0.153 0.000 1.234 236 F CB -0.543 38.553 39.000 0.161 0.000 1.002 236 F HN 0.004 nan 8.300 nan 0.000 0.472 237 L N 0.145 121.469 121.223 0.168 0.000 2.081 237 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 237 L C 2.392 179.246 176.870 -0.027 0.000 1.080 237 L CA 1.844 56.707 54.840 0.038 0.000 0.754 237 L CB -0.910 41.198 42.059 0.083 0.000 0.893 237 L HN 0.362 nan 8.230 nan 0.000 0.433 238 Q N -1.675 118.138 119.800 0.021 0.000 2.107 238 Q HA -0.138 4.202 4.340 -0.000 0.000 0.195 238 Q C 2.160 178.185 176.000 0.041 0.000 0.964 238 Q CA 0.905 56.722 55.803 0.023 0.000 0.833 238 Q CB -0.315 28.454 28.738 0.051 0.000 0.910 238 Q HN 0.574 nan 8.270 nan 0.000 0.465 239 H N 0.235 119.274 119.070 -0.052 0.000 2.357 239 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 239 H C 1.821 177.080 175.328 -0.115 0.000 1.082 239 H CA 1.064 57.078 56.048 -0.057 0.000 1.342 239 H CB 0.677 30.433 29.762 -0.011 0.000 1.389 239 H HN 0.173 nan 8.280 nan 0.000 0.511 240 Q N 0.057 119.704 119.800 -0.255 0.000 2.141 240 Q HA -0.030 4.310 4.340 -0.000 0.000 0.194 240 Q C 2.262 178.007 176.000 -0.426 0.000 0.975 240 Q CA 0.584 56.110 55.803 -0.460 0.000 0.834 240 Q CB -0.145 28.199 28.738 -0.657 0.000 0.916 240 Q HN 0.521 nan 8.270 nan 0.000 0.484 241 Q N 0.923 120.461 119.800 -0.436 0.000 2.488 241 Q HA 0.032 4.372 4.340 -0.000 0.000 0.211 241 Q C -0.096 175.805 176.000 -0.166 0.000 0.967 241 Q CA 0.121 55.772 55.803 -0.253 0.000 0.926 241 Q CB 0.062 28.718 28.738 -0.136 0.000 0.992 241 Q HN 0.348 nan 8.270 nan 0.000 0.506 242 R N 1.375 121.781 120.500 -0.156 0.000 3.502 242 R HA -0.131 4.209 4.340 -0.000 0.000 0.266 242 R C -0.668 175.589 176.300 -0.072 0.000 1.077 242 R CA 0.532 56.571 56.100 -0.103 0.000 0.718 242 R CB -1.968 28.261 30.300 -0.119 0.000 1.120 242 R HN 0.333 nan 8.270 nan 0.000 0.457 243 E N 1.353 121.523 120.200 -0.051 0.000 2.373 243 E HA 0.014 4.364 4.350 -0.000 0.000 0.267 243 E C 1.198 177.784 176.600 -0.024 0.000 1.032 243 E CA -0.087 56.294 56.400 -0.031 0.000 0.889 243 E CB 0.650 30.348 29.700 -0.003 0.000 0.984 243 E HN 0.195 nan 8.360 nan 0.000 0.425 244 E N 1.949 122.133 120.200 -0.027 0.000 2.076 244 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 244 E C 0.588 177.184 176.600 -0.007 0.000 0.979 244 E CA 0.594 56.983 56.400 -0.018 0.000 0.807 244 E CB 0.224 29.911 29.700 -0.021 0.000 0.761 244 E HN 0.499 nan 8.360 nan 0.000 0.454 245 E N 1.162 121.358 120.200 -0.007 0.000 2.382 245 E HA 0.144 4.494 4.350 -0.000 0.000 0.190 245 E C -0.048 176.557 176.600 0.008 0.000 1.125 245 E CA -0.355 56.046 56.400 0.002 0.000 0.929 245 E CB 0.137 29.839 29.700 0.002 0.000 1.053 245 E HN 0.080 nan 8.360 nan 0.000 0.475 246 A N 1.179 124.004 122.820 0.007 0.000 2.565 246 A HA 0.403 4.723 4.320 -0.000 0.000 0.237 246 A C 0.710 178.303 177.584 0.016 0.000 1.053 246 A CA 0.954 53.000 52.037 0.015 0.000 0.755 246 A CB 0.317 19.326 19.000 0.016 0.000 0.980 246 A HN 0.291 nan 8.150 nan 0.000 0.506 247 G N 2.033 110.845 108.800 0.020 0.000 2.340 247 G HA2 0.420 4.380 3.960 -0.000 0.000 0.300 247 G HA3 0.420 4.380 3.960 -0.000 0.000 0.300 247 G C -2.213 172.697 174.900 0.017 0.000 1.488 247 G CA 0.016 45.126 45.100 0.017 0.000 0.878 247 G HN 0.378 nan 8.290 nan 0.000 0.618 248 P HA -0.162 nan 4.420 nan 0.000 0.217 248 P C 2.026 179.332 177.300 0.010 0.000 1.151 248 P CA 2.590 65.698 63.100 0.012 0.000 0.849 248 P CB 0.035 31.741 31.700 0.009 0.000 0.787 249 A N -0.430 122.396 122.820 0.010 0.000 1.865 249 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 249 A C 2.226 179.816 177.584 0.010 0.000 1.191 249 A CA 1.883 53.925 52.037 0.009 0.000 0.623 249 A CB -1.669 17.336 19.000 0.009 0.000 0.826 249 A HN 0.212 nan 8.150 nan 0.000 0.444 250 L N -0.175 121.056 121.223 0.014 0.000 1.976 250 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 250 L C 2.747 179.625 176.870 0.013 0.000 1.071 250 L CA 2.386 57.237 54.840 0.018 0.000 0.746 250 L CB -1.200 40.873 42.059 0.022 0.000 0.890 250 L HN 0.385 nan 8.230 nan 0.000 0.432 251 A N -0.537 122.289 122.820 0.010 0.000 1.896 251 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 251 A C 2.350 179.938 177.584 0.008 0.000 1.206 251 A CA 2.505 54.546 52.037 0.006 0.000 0.647 251 A CB -1.257 17.753 19.000 0.017 0.000 0.828 251 A HN 0.503 nan 8.150 nan 0.000 0.455 252 L N 0.434 121.662 121.223 0.008 0.000 2.083 252 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 252 L C 2.915 179.783 176.870 -0.004 0.000 1.083 252 L CA 2.162 57.005 54.840 0.004 0.000 0.752 252 L CB -0.246 41.814 42.059 0.003 0.000 0.899 252 L HN 0.571 nan 8.230 nan 0.000 0.433 253 S N -1.292 114.404 115.700 -0.006 0.000 2.387 253 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 253 S C 1.956 176.531 174.600 -0.043 0.000 1.026 253 S CA 0.847 59.031 58.200 -0.026 0.000 0.972 253 S CB -0.683 62.509 63.200 -0.013 0.000 0.814 253 S HN 0.373 nan 8.310 nan 0.000 0.477 254 L N 1.071 122.300 121.223 0.010 0.000 1.994 254 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 254 L C 2.622 179.541 176.870 0.082 0.000 1.071 254 L CA 1.533 56.427 54.840 0.090 0.000 0.745 254 L CB -0.721 41.359 42.059 0.035 0.000 0.892 254 L HN 0.276 nan 8.230 nan 0.000 0.431 255 I N -0.157 120.445 120.570 0.054 0.000 2.208 255 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 255 I C 2.473 178.598 176.117 0.014 0.000 1.097 255 I CA 1.474 62.809 61.300 0.060 0.000 1.363 255 I CB -0.335 37.691 38.000 0.043 0.000 1.051 255 I HN 0.311 nan 8.210 nan 0.000 0.413 256 E N 0.277 120.461 120.200 -0.026 0.000 2.077 256 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 256 E C 2.313 178.847 176.600 -0.110 0.000 0.989 256 E CA 1.038 57.407 56.400 -0.050 0.000 0.800 256 E CB -0.087 29.582 29.700 -0.051 0.000 0.746 256 E HN 0.323 nan 8.360 nan 0.000 0.452 257 R N -0.610 119.753 120.500 -0.229 0.000 2.073 257 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 257 R C 1.193 177.192 176.300 -0.502 0.000 1.120 257 R CA 1.279 57.085 56.100 -0.489 0.000 0.967 257 R CB 0.151 29.915 30.300 -0.894 0.000 0.862 257 R HN 0.203 nan 8.270 nan 0.000 0.436 258 Y N -1.069 119.272 120.300 0.069 0.000 2.444 258 Y HA 0.253 4.803 4.550 -0.000 0.000 0.252 258 Y C -0.007 175.933 175.900 0.066 0.000 1.091 258 Y CA -0.613 57.535 58.100 0.080 0.000 1.276 258 Y CB 0.118 38.659 38.460 0.136 0.000 1.170 258 Y HN -0.083 nan 8.280 nan 0.000 0.517 259 E N 4.034 124.331 120.200 0.163 0.000 2.265 259 E HA 0.062 4.412 4.350 -0.000 0.000 0.272 259 E C -1.794 174.849 176.600 0.073 0.000 1.067 259 E CA -1.966 54.503 56.400 0.115 0.000 0.900 259 E CB 0.822 30.574 29.700 0.087 0.000 1.017 259 E HN 0.066 nan 8.360 nan 0.000 0.431 260 P HA -0.051 nan 4.420 nan 0.000 0.221 260 P C 0.096 177.407 177.300 0.018 0.000 1.155 260 P CA 0.303 63.424 63.100 0.034 0.000 0.812 260 P CB 0.242 31.954 31.700 0.020 0.000 0.801 261 S N 0.821 116.532 115.700 0.018 0.000 2.488 261 S HA 0.047 4.517 4.470 -0.000 0.000 0.278 261 S C 1.325 175.932 174.600 0.013 0.000 1.259 261 S CA -0.384 57.822 58.200 0.010 0.000 1.061 261 S CB 0.149 63.354 63.200 0.008 0.000 0.910 261 S HN -0.085 nan 8.310 nan 0.000 0.491 262 E N 3.858 124.062 120.200 0.007 0.000 2.110 262 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 262 E C 1.894 178.498 176.600 0.007 0.000 0.988 262 E CA 1.392 57.796 56.400 0.007 0.000 0.804 262 E CB -0.770 28.932 29.700 0.003 0.000 0.745 262 E HN 0.775 nan 8.360 nan 0.000 0.458 263 T N 1.297 115.855 114.554 0.006 0.000 2.643 263 T HA -0.122 4.228 4.350 -0.000 0.000 0.264 263 T C 1.957 176.663 174.700 0.011 0.000 1.045 263 T CA 1.808 63.912 62.100 0.007 0.000 1.155 263 T CB -0.283 68.588 68.868 0.005 0.000 0.863 263 T HN 0.300 nan 8.240 nan 0.000 0.420 264 A N 1.198 124.028 122.820 0.015 0.000 1.940 264 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 264 A C 2.185 179.784 177.584 0.024 0.000 1.176 264 A CA 2.059 54.110 52.037 0.023 0.000 0.631 264 A CB -0.538 18.482 19.000 0.034 0.000 0.814 264 A HN 0.466 nan 8.150 nan 0.000 0.446 265 K N -0.401 120.013 120.400 0.022 0.000 1.969 265 K HA -0.107 4.213 4.320 -0.000 0.000 0.216 265 K C 2.235 178.842 176.600 0.013 0.000 1.048 265 K CA 1.498 57.797 56.287 0.020 0.000 0.948 265 K CB -0.447 32.062 32.500 0.015 0.000 0.726 265 K HN 0.352 nan 8.250 nan 0.000 0.442 266 A N 0.816 123.641 122.820 0.009 0.000 1.958 266 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 266 A C 1.649 179.237 177.584 0.006 0.000 1.178 266 A CA 1.812 53.852 52.037 0.006 0.000 0.642 266 A CB -0.521 18.482 19.000 0.004 0.000 0.816 266 A HN 0.541 nan 8.150 nan 0.000 0.453 267 Q N -1.263 118.542 119.800 0.009 0.000 2.247 267 Q HA 0.211 4.551 4.340 -0.000 0.000 0.205 267 Q C -0.557 175.449 176.000 0.010 0.000 0.896 267 Q CA -0.295 55.513 55.803 0.008 0.000 0.950 267 Q CB 0.146 28.889 28.738 0.008 0.000 1.054 267 Q HN 0.573 nan 8.270 nan 0.000 0.482 268 R N 1.370 121.876 120.500 0.011 0.000 3.251 268 R HA -0.213 4.127 4.340 -0.000 0.000 0.249 268 R C -0.820 175.490 176.300 0.017 0.000 0.949 268 R CA 0.673 56.781 56.100 0.013 0.000 0.645 268 R CB -1.707 28.598 30.300 0.008 0.000 1.065 268 R HN 0.434 nan 8.270 nan 0.000 0.452 269 Q N -0.054 119.761 119.800 0.026 0.000 2.456 269 Q HA 0.610 4.950 4.340 -0.000 0.000 0.283 269 Q C -0.759 175.277 176.000 0.060 0.000 1.084 269 Q CA -1.024 54.799 55.803 0.034 0.000 0.801 269 Q CB 2.591 31.348 28.738 0.031 0.000 1.434 269 Q HN 0.240 nan 8.270 nan 0.000 0.419 270 M N 1.561 121.213 119.600 0.086 0.000 2.321 270 M HA 0.449 4.929 4.480 -0.000 0.000 0.315 270 M C -0.813 175.615 176.300 0.213 0.000 1.052 270 M CA -0.318 55.069 55.300 0.144 0.000 0.936 270 M CB 1.966 34.671 32.600 0.174 0.000 1.639 270 M HN 0.857 nan 8.290 nan 0.000 0.433 271 T N 0.717 115.359 114.554 0.147 0.000 2.862 271 T HA 0.339 4.689 4.350 -0.000 0.000 0.276 271 T C 0.821 175.401 174.700 -0.201 0.000 0.974 271 T CA -0.770 61.353 62.100 0.039 0.000 0.966 271 T CB 1.329 70.176 68.868 -0.035 0.000 1.072 271 T HN 0.868 nan 8.240 nan 0.000 0.538 272 K N -0.022 119.873 120.400 -0.842 0.000 2.103 272 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 272 K C 1.485 177.895 176.600 -0.316 0.000 1.048 272 K CA 1.664 57.255 56.287 -1.161 0.000 0.930 272 K CB -0.257 31.583 32.500 -1.100 0.000 0.716 272 K HN 0.548 nan 8.250 nan 0.000 0.444 273 D N -0.500 119.780 120.400 -0.200 0.000 2.097 273 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 273 D C 1.805 178.111 176.300 0.011 0.000 0.989 273 D CA 1.493 55.444 54.000 -0.081 0.000 0.827 273 D CB -0.538 40.221 40.800 -0.070 0.000 0.966 273 D HN 0.414 nan 8.370 nan 0.000 0.456 274 G N -0.219 108.621 108.800 0.066 0.000 2.422 274 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 274 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 274 G C 1.457 176.508 174.900 0.252 0.000 1.140 274 G CA 0.189 45.386 45.100 0.161 0.000 0.775 274 G HN 0.194 nan 8.290 nan 0.000 0.545 275 F N 0.981 120.983 119.950 0.086 0.000 2.102 275 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 275 F C 2.273 178.151 175.800 0.131 0.000 1.105 275 F CA 1.206 59.308 58.000 0.170 0.000 1.239 275 F CB -0.419 38.707 39.000 0.211 0.000 0.991 275 F HN 0.116 nan 8.300 nan 0.000 0.474 276 L N 0.219 121.459 121.223 0.028 0.000 2.046 276 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 276 L C 2.245 179.023 176.870 -0.153 0.000 1.077 276 L CA 1.847 56.606 54.840 -0.134 0.000 0.747 276 L CB -0.756 41.240 42.059 -0.105 0.000 0.896 276 L HN 0.198 nan 8.230 nan 0.000 0.432 277 M N -1.816 117.739 119.600 -0.074 0.000 2.159 277 M HA -0.231 4.249 4.480 -0.000 0.000 0.263 277 M C 2.335 178.456 176.300 -0.299 0.000 1.063 277 M CA 1.912 57.148 55.300 -0.108 0.000 1.110 277 M CB -0.877 31.741 32.600 0.029 0.000 1.374 277 M HN 0.448 nan 8.290 nan 0.000 0.411 278 Y N 1.684 121.770 120.300 -0.357 0.000 2.097 278 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 278 Y C 1.944 177.607 175.900 -0.395 0.000 1.152 278 Y CA 1.571 59.314 58.100 -0.596 0.000 1.136 278 Y CB -0.839 37.537 38.460 -0.141 0.000 0.975 278 Y HN 0.071 nan 8.280 nan 0.000 0.498 279 L N 0.023 120.837 121.223 -0.682 0.000 2.261 279 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 279 L C 2.022 178.822 176.870 -0.116 0.000 1.114 279 L CA 1.172 55.713 54.840 -0.499 0.000 0.777 279 L CB -0.412 41.484 42.059 -0.272 0.000 0.910 279 L HN 0.367 nan 8.230 nan 0.000 0.440 280 L N -1.376 119.693 121.223 -0.257 0.000 2.607 280 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 280 L C 1.476 178.276 176.870 -0.117 0.000 1.123 280 L CA -0.322 54.368 54.840 -0.250 0.000 0.890 280 L CB 0.076 41.937 42.059 -0.330 0.000 1.103 280 L HN 0.233 nan 8.230 nan 0.000 0.468 281 S N -0.383 115.159 115.700 -0.263 0.000 2.661 281 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 281 S C 1.406 175.924 174.600 -0.138 0.000 1.225 281 S CA -0.020 58.041 58.200 -0.232 0.000 0.986 281 S CB 1.531 64.381 63.200 -0.582 0.000 1.008 281 S HN 0.095 nan 8.310 nan 0.000 0.565 282 A N -0.076 122.713 122.820 -0.052 0.000 2.070 282 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 282 A C 1.723 179.318 177.584 0.018 0.000 1.159 282 A CA 1.407 53.422 52.037 -0.036 0.000 0.656 282 A CB -0.861 18.151 19.000 0.020 0.000 0.800 282 A HN 0.873 nan 8.150 nan 0.000 0.453 283 D N -0.851 119.584 120.400 0.058 0.000 2.249 283 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 283 D C 1.851 178.137 176.300 -0.022 0.000 0.962 283 D CA 1.119 55.201 54.000 0.137 0.000 0.860 283 D CB 0.005 41.053 40.800 0.413 0.000 0.955 283 D HN 0.479 nan 8.370 nan 0.000 0.505 284 G N 0.321 108.963 108.800 -0.263 0.000 2.880 284 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.209 284 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.209 284 G C 0.896 175.746 174.900 -0.083 0.000 1.157 284 G CA -0.254 44.618 45.100 -0.381 0.000 0.779 284 G HN 0.048 nan 8.290 nan 0.000 0.539 285 N N 1.048 119.744 118.700 -0.007 0.000 2.412 285 N HA 0.138 4.878 4.740 -0.000 0.000 0.254 285 N C 1.530 177.061 175.510 0.035 0.000 1.232 285 N CA 0.496 53.592 53.050 0.076 0.000 0.880 285 N CB 1.381 39.885 38.487 0.029 0.000 1.076 285 N HN 0.043 nan 8.380 nan 0.000 0.458 286 A N 4.137 126.973 122.820 0.028 0.000 2.067 286 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 286 A C 0.713 178.279 177.584 -0.029 0.000 1.158 286 A CA 0.572 52.572 52.037 -0.062 0.000 0.661 286 A CB -0.246 18.658 19.000 -0.160 0.000 0.801 286 A HN 0.603 nan 8.150 nan 0.000 0.452 287 F N 1.349 121.257 119.950 -0.070 0.000 2.375 287 F HA 0.409 4.936 4.527 -0.000 0.000 0.362 287 F C 0.946 176.707 175.800 -0.064 0.000 1.129 287 F CA -1.100 56.869 58.000 -0.051 0.000 1.154 287 F CB 0.587 39.574 39.000 -0.021 0.000 1.205 287 F HN 0.017 nan 8.300 nan 0.000 0.513 288 S N 6.589 122.271 115.700 -0.031 0.000 2.998 288 S HA -0.120 4.350 4.470 -0.000 0.000 0.348 288 S C 1.427 176.082 174.600 0.091 0.000 1.210 288 S CA -0.409 57.745 58.200 -0.077 0.000 1.118 288 S CB -0.179 62.773 63.200 -0.412 0.000 0.832 288 S HN 0.822 nan 8.310 nan 0.000 0.516 289 L N 6.590 127.843 121.223 0.049 0.000 2.079 289 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 289 L C 2.452 179.345 176.870 0.038 0.000 1.081 289 L CA 2.591 57.470 54.840 0.065 0.000 0.752 289 L CB -1.455 40.635 42.059 0.052 0.000 0.896 289 L HN 0.859 nan 8.230 nan 0.000 0.433 290 A N -1.418 121.362 122.820 -0.067 0.000 1.940 290 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 290 A C 2.016 179.570 177.584 -0.050 0.000 1.176 290 A CA 1.845 53.821 52.037 -0.103 0.000 0.631 290 A CB -0.955 17.898 19.000 -0.244 0.000 0.814 290 A HN 0.675 nan 8.150 nan 0.000 0.446 291 H N -0.550 118.428 119.070 -0.154 0.000 2.555 291 H HA 0.117 4.673 4.556 -0.000 0.000 0.269 291 H C 1.157 176.644 175.328 0.265 0.000 0.988 291 H CA 0.537 56.516 56.048 -0.115 0.000 1.178 291 H CB -0.074 29.656 29.762 -0.054 0.000 1.373 291 H HN 0.495 nan 8.280 nan 0.000 0.588 292 R N 1.307 121.997 120.500 0.317 0.000 2.547 292 R HA 0.126 4.465 4.340 -0.000 0.000 0.258 292 R C 0.074 176.489 176.300 0.192 0.000 1.115 292 R CA -0.051 56.184 56.100 0.226 0.000 1.152 292 R CB 0.121 30.484 30.300 0.106 0.000 1.221 292 R HN 0.317 nan 8.270 nan 0.000 0.539 293 R N -2.542 118.115 120.500 0.262 0.000 2.707 293 R HA 0.301 4.641 4.340 -0.000 0.000 0.272 293 R C -1.017 175.470 176.300 0.311 0.000 1.011 293 R CA -0.935 55.302 56.100 0.228 0.000 0.893 293 R CB 1.039 31.444 30.300 0.176 0.000 1.233 293 R HN -0.205 nan 8.270 nan 0.000 0.464 294 V N 3.543 123.593 119.914 0.226 0.000 2.493 294 V HA 0.002 4.122 4.120 -0.000 0.000 0.292 294 V C -0.166 176.051 176.094 0.206 0.000 1.016 294 V CA 0.507 62.912 62.300 0.176 0.000 1.097 294 V CB -0.615 31.309 31.823 0.168 0.000 0.947 294 V HN 0.901 nan 8.190 nan 0.000 0.479 295 Y N 1.890 122.236 120.300 0.077 0.000 2.610 295 Y HA 0.515 5.065 4.550 -0.000 0.000 0.254 295 Y C 0.507 176.432 175.900 0.040 0.000 1.110 295 Y CA -0.772 57.370 58.100 0.070 0.000 1.238 295 Y CB -0.137 38.385 38.460 0.105 0.000 1.322 295 Y HN 0.487 nan 8.280 nan 0.000 0.547 296 Q N 1.095 120.602 119.800 -0.488 0.000 2.180 296 Q HA 0.166 4.506 4.340 -0.000 0.000 0.241 296 Q C -0.979 174.948 176.000 -0.122 0.000 0.970 296 Q CA -1.048 54.535 55.803 -0.367 0.000 0.919 296 Q CB 1.015 29.466 28.738 -0.479 0.000 1.222 296 Q HN 0.143 nan 8.270 nan 0.000 0.482 297 D N 1.409 121.770 120.400 -0.063 0.000 2.349 297 D HA -0.002 4.638 4.640 -0.000 0.000 0.266 297 D C -0.146 176.204 176.300 0.085 0.000 1.293 297 D CA 0.170 54.171 54.000 0.003 0.000 0.926 297 D CB 0.606 41.402 40.800 -0.007 0.000 1.090 297 D HN 0.328 nan 8.370 nan 0.000 0.502 298 M N 2.584 122.196 119.600 0.019 0.000 2.551 298 M HA 0.109 4.589 4.480 -0.000 0.000 0.252 298 M C 0.171 176.446 176.300 -0.041 0.000 1.219 298 M CA -0.040 55.211 55.300 -0.082 0.000 0.978 298 M CB -0.031 32.451 32.600 -0.197 0.000 1.533 298 M HN 0.274 nan 8.290 nan 0.000 0.474 299 D N -0.128 120.303 120.400 0.052 0.000 2.398 299 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 299 D C 0.537 176.844 176.300 0.012 0.000 1.094 299 D CA 0.175 54.181 54.000 0.010 0.000 0.839 299 D CB 0.885 41.683 40.800 -0.003 0.000 0.963 299 D HN 0.421 nan 8.370 nan 0.000 0.506 300 Q N 1.257 121.121 119.800 0.107 0.000 2.316 300 Q HA 0.314 4.654 4.340 -0.000 0.000 0.215 300 Q C -2.428 173.560 176.000 -0.019 0.000 1.020 300 Q CA -1.734 54.050 55.803 -0.032 0.000 0.970 300 Q CB 0.135 28.798 28.738 -0.125 0.000 1.187 300 Q HN -0.061 nan 8.270 nan 0.000 0.546 301 P HA 0.013 nan 4.420 nan 0.000 0.271 301 P C 0.545 177.850 177.300 0.009 0.000 1.218 301 P CA 0.030 62.993 63.100 -0.228 0.000 0.780 301 P CB 0.519 31.996 31.700 -0.371 0.000 0.901 302 L N 1.478 122.744 121.223 0.071 0.000 2.064 302 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 302 L C 2.296 179.380 176.870 0.357 0.000 1.077 302 L CA 2.622 57.598 54.840 0.228 0.000 0.766 302 L CB -1.235 40.922 42.059 0.162 0.000 0.890 302 L HN 0.495 nan 8.230 nan 0.000 0.435 303 S N -1.843 114.011 115.700 0.256 0.000 2.493 303 S HA -0.222 4.248 4.470 -0.000 0.000 0.243 303 S C 1.447 176.234 174.600 0.312 0.000 0.991 303 S CA 1.044 59.415 58.200 0.285 0.000 0.957 303 S CB -0.784 62.587 63.200 0.284 0.000 0.756 303 S HN 0.596 nan 8.310 nan 0.000 0.521 304 H N -0.809 118.256 119.070 -0.009 0.000 2.539 304 H HA 0.260 4.816 4.556 -0.000 0.000 0.269 304 H C -0.587 174.452 175.328 -0.482 0.000 0.980 304 H CA -0.109 55.769 56.048 -0.283 0.000 1.152 304 H CB 0.185 29.690 29.762 -0.427 0.000 1.407 304 H HN 0.464 nan 8.280 nan 0.000 0.564 305 Y N 0.477 120.835 120.300 0.097 0.000 2.485 305 Y HA 0.313 4.863 4.550 -0.000 0.000 0.345 305 Y C -0.097 175.827 175.900 0.041 0.000 0.998 305 Y CA -0.976 57.156 58.100 0.053 0.000 1.059 305 Y CB 1.607 40.167 38.460 0.167 0.000 1.234 305 Y HN -0.108 nan 8.280 nan 0.000 0.461 306 L N 3.117 124.401 121.223 0.103 0.000 2.349 306 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 306 L C -0.762 176.269 176.870 0.269 0.000 1.115 306 L CA -0.789 54.093 54.840 0.069 0.000 0.820 306 L CB 0.769 42.628 42.059 -0.333 0.000 1.135 306 L HN 0.340 nan 8.230 nan 0.000 0.445 307 V N 1.885 121.930 119.914 0.219 0.000 2.540 307 V HA 0.191 4.311 4.120 -0.000 0.000 0.302 307 V C 0.221 176.142 176.094 -0.288 0.000 1.035 307 V CA -0.615 61.597 62.300 -0.146 0.000 0.873 307 V CB 1.837 33.553 31.823 -0.179 0.000 0.992 307 V HN 0.796 nan 8.190 nan 0.000 0.428 308 S N 3.464 118.602 115.700 -0.937 0.000 2.481 308 S HA 0.362 4.832 4.470 -0.000 0.000 0.282 308 S C 0.110 174.580 174.600 -0.216 0.000 1.243 308 S CA -0.175 57.493 58.200 -0.886 0.000 1.078 308 S CB -0.087 62.537 63.200 -0.959 0.000 0.916 308 S HN 0.845 nan 8.310 nan 0.000 0.495 309 S N 3.441 119.217 115.700 0.127 0.000 2.536 309 S HA 0.623 5.093 4.470 -0.000 0.000 0.287 309 S C -0.685 173.875 174.600 -0.067 0.000 1.101 309 S CA -0.900 57.307 58.200 0.012 0.000 0.950 309 S CB 1.863 65.137 63.200 0.122 0.000 1.056 309 S HN 0.786 nan 8.310 nan 0.000 0.481 310 S N 1.332 116.879 115.700 -0.254 0.000 2.568 310 S HA 0.545 5.015 4.470 -0.000 0.000 0.302 310 S C -1.060 173.488 174.600 -0.088 0.000 1.082 310 S CA -0.661 57.357 58.200 -0.303 0.000 1.009 310 S CB 1.234 64.022 63.200 -0.685 0.000 1.069 310 S HN 0.835 nan 8.310 nan 0.000 0.500 311 H N 2.430 121.413 119.070 -0.146 0.000 2.466 311 H HA 0.311 4.867 4.556 -0.000 0.000 0.338 311 H C -0.493 174.683 175.328 -0.253 0.000 1.091 311 H CA -0.158 55.815 56.048 -0.124 0.000 1.207 311 H CB 0.437 30.170 29.762 -0.048 0.000 1.466 311 H HN 0.879 nan 8.280 nan 0.000 0.493 312 N N 3.710 121.905 118.700 -0.842 0.000 2.688 312 N HA -0.166 4.574 4.740 -0.000 0.000 0.258 312 N C 0.922 175.840 175.510 -0.987 0.000 1.016 312 N CA 1.294 53.730 53.050 -1.024 0.000 0.747 312 N CB -1.194 36.529 38.487 -1.273 0.000 0.895 312 N HN 0.729 nan 8.380 nan 0.000 0.543 313 T N -1.557 112.607 114.554 -0.650 0.000 2.760 313 T HA -0.273 4.077 4.350 -0.000 0.000 0.269 313 T C 1.574 175.726 174.700 -0.914 0.000 1.047 313 T CA 1.932 63.595 62.100 -0.728 0.000 1.139 313 T CB -0.408 68.015 68.868 -0.741 0.000 0.855 313 T HN 0.709 nan 8.240 nan 0.000 0.471 314 Y N 1.001 120.896 120.300 -0.676 0.000 2.483 314 Y HA 0.275 4.825 4.550 -0.000 0.000 0.291 314 Y C 0.811 176.597 175.900 -0.189 0.000 1.143 314 Y CA -0.374 57.503 58.100 -0.373 0.000 1.289 314 Y CB -1.117 37.383 38.460 0.066 0.000 0.983 314 Y HN 0.134 nan 8.280 nan 0.000 0.556 315 L N 1.525 122.450 121.223 -0.497 0.000 2.349 315 L HA 0.164 4.504 4.340 -0.000 0.000 0.275 315 L C 0.841 177.606 176.870 -0.175 0.000 1.115 315 L CA -0.274 54.407 54.840 -0.265 0.000 0.820 315 L CB 1.486 43.312 42.059 -0.389 0.000 1.135 315 L HN 0.267 nan 8.230 nan 0.000 0.445 316 L N 1.548 122.726 121.223 -0.075 0.000 2.515 316 L HA 0.184 4.524 4.340 -0.000 0.000 0.223 316 L C 1.028 177.869 176.870 -0.048 0.000 1.079 316 L CA 0.510 55.315 54.840 -0.058 0.000 0.857 316 L CB 0.313 42.359 42.059 -0.021 0.000 1.050 316 L HN 0.748 nan 8.230 nan 0.000 0.476 317 E N -0.851 119.327 120.200 -0.036 0.000 4.498 317 E HA 0.093 4.443 4.350 -0.000 0.000 0.200 317 E C -0.717 175.870 176.600 -0.022 0.000 1.108 317 E CA -0.695 55.691 56.400 -0.023 0.000 0.970 317 E CB 0.238 29.938 29.700 -0.001 0.000 2.109 317 E HN 0.099 nan 8.360 nan 0.000 0.453 318 D N 0.719 121.124 120.400 0.009 0.000 2.384 318 D HA -0.024 4.616 4.640 -0.000 0.000 0.244 318 D C 0.418 176.750 176.300 0.053 0.000 1.251 318 D CA -0.038 53.979 54.000 0.027 0.000 0.961 318 D CB 0.845 41.673 40.800 0.047 0.000 1.116 318 D HN 0.158 nan 8.370 nan 0.000 0.484 319 Q N -0.219 119.634 119.800 0.088 0.000 2.403 319 Q HA 0.141 4.481 4.340 -0.000 0.000 0.203 319 Q C 1.670 177.877 176.000 0.346 0.000 0.932 319 Q CA 0.277 56.188 55.803 0.180 0.000 0.945 319 Q CB 0.490 29.336 28.738 0.180 0.000 1.045 319 Q HN 0.554 nan 8.270 nan 0.000 0.511 320 L N -0.658 120.696 121.223 0.218 0.000 2.445 320 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 320 L C 1.621 178.624 176.870 0.222 0.000 1.053 320 L CA 1.460 56.424 54.840 0.207 0.000 0.841 320 L CB 0.240 42.387 42.059 0.147 0.000 1.074 320 L HN 0.154 nan 8.230 nan 0.000 0.479 321 T N -4.022 110.631 114.554 0.165 0.000 3.186 321 T HA 0.235 4.585 4.350 -0.000 0.000 0.292 321 T C 0.760 175.533 174.700 0.122 0.000 0.915 321 T CA 0.185 62.381 62.100 0.159 0.000 0.902 321 T CB 0.131 69.041 68.868 0.070 0.000 1.192 321 T HN 0.096 nan 8.240 nan 0.000 0.563 322 G N 2.815 111.680 108.800 0.108 0.000 2.651 322 G HA2 0.581 4.541 3.960 -0.000 0.000 0.260 322 G HA3 0.581 4.541 3.960 -0.000 0.000 0.260 322 G C -2.717 172.243 174.900 0.099 0.000 1.216 322 G CA -1.271 43.876 45.100 0.079 0.000 0.913 322 G HN 0.260 nan 8.290 nan 0.000 0.535 323 P HA 0.349 nan 4.420 nan 0.000 0.279 323 P C -0.661 176.703 177.300 0.106 0.000 1.252 323 P CA -0.428 62.725 63.100 0.087 0.000 0.811 323 P CB 1.751 33.485 31.700 0.057 0.000 1.035 324 S N -0.073 115.713 115.700 0.142 0.000 2.607 324 S HA 0.710 5.180 4.470 -0.000 0.000 0.303 324 S C -0.464 174.218 174.600 0.138 0.000 1.086 324 S CA -0.409 57.909 58.200 0.196 0.000 0.995 324 S CB 1.188 64.569 63.200 0.302 0.000 1.084 324 S HN 0.640 nan 8.310 nan 0.000 0.507 325 S N -0.089 115.698 115.700 0.146 0.000 2.558 325 S HA 0.321 4.791 4.470 -0.000 0.000 0.277 325 S C 0.793 175.492 174.600 0.165 0.000 1.143 325 S CA -0.115 58.154 58.200 0.115 0.000 0.865 325 S CB 0.603 63.838 63.200 0.059 0.000 1.102 325 S HN 0.812 nan 8.310 nan 0.000 0.454 326 T N 0.759 115.397 114.554 0.140 0.000 2.881 326 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 326 T C 1.462 176.228 174.700 0.111 0.000 1.068 326 T CA 1.620 63.817 62.100 0.163 0.000 1.131 326 T CB -0.464 68.430 68.868 0.043 0.000 0.871 326 T HN 0.570 nan 8.240 nan 0.000 0.479 327 E N 2.360 122.584 120.200 0.039 0.000 2.097 327 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 327 E C 2.345 178.919 176.600 -0.044 0.000 1.000 327 E CA 1.598 57.983 56.400 -0.025 0.000 0.804 327 E CB -1.003 28.685 29.700 -0.020 0.000 0.740 327 E HN 0.628 nan 8.360 nan 0.000 0.454 328 A N -0.685 122.114 122.820 -0.035 0.000 1.940 328 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 328 A C 2.135 179.603 177.584 -0.193 0.000 1.176 328 A CA 1.649 53.608 52.037 -0.130 0.000 0.631 328 A CB -0.917 17.968 19.000 -0.192 0.000 0.814 328 A HN 0.404 nan 8.150 nan 0.000 0.446 329 Y N -0.267 119.971 120.300 -0.104 0.000 2.220 329 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 329 Y C 2.248 178.036 175.900 -0.188 0.000 1.129 329 Y CA 1.374 59.393 58.100 -0.135 0.000 1.161 329 Y CB -0.306 38.089 38.460 -0.108 0.000 0.997 329 Y HN 0.210 nan 8.280 nan 0.000 0.522 330 I N -0.524 119.993 120.570 -0.089 0.000 2.179 330 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 330 I C 2.445 178.403 176.117 -0.265 0.000 1.088 330 I CA 1.365 62.445 61.300 -0.365 0.000 1.357 330 I CB -0.357 37.295 38.000 -0.579 0.000 1.051 330 I HN 0.082 nan 8.210 nan 0.000 0.409 331 R N 0.758 121.157 120.500 -0.168 0.000 2.094 331 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 331 R C 2.432 178.709 176.300 -0.037 0.000 1.137 331 R CA 2.071 58.117 56.100 -0.090 0.000 0.943 331 R CB -0.657 29.607 30.300 -0.060 0.000 0.850 331 R HN 0.432 nan 8.270 nan 0.000 0.433 332 A N 0.419 123.195 122.820 -0.074 0.000 1.883 332 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 332 A C 2.197 179.723 177.584 -0.096 0.000 1.186 332 A CA 1.376 53.349 52.037 -0.107 0.000 0.624 332 A CB -0.664 18.109 19.000 -0.379 0.000 0.822 332 A HN 0.279 nan 8.150 nan 0.000 0.444 333 L N -0.912 120.252 121.223 -0.098 0.000 2.083 333 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 333 L C 2.545 179.421 176.870 0.010 0.000 1.083 333 L CA 1.184 55.990 54.840 -0.056 0.000 0.752 333 L CB -0.466 41.574 42.059 -0.032 0.000 0.899 333 L HN 0.496 nan 8.230 nan 0.000 0.433 334 C N -0.319 118.985 119.300 0.007 0.000 2.437 334 C HA -0.105 4.355 4.460 -0.000 0.000 0.283 334 C C 2.216 177.251 174.990 0.074 0.000 1.424 334 C CA 0.555 59.604 59.018 0.052 0.000 1.782 334 C CB -0.895 26.858 27.740 0.021 0.000 1.833 334 C HN 0.360 nan 8.230 nan 0.000 0.532 335 K N 0.114 120.575 120.400 0.103 0.000 2.437 335 K HA 0.252 4.572 4.320 -0.000 0.000 0.198 335 K C 1.362 178.072 176.600 0.183 0.000 1.024 335 K CA 0.629 57.013 56.287 0.161 0.000 1.148 335 K CB 0.120 32.771 32.500 0.252 0.000 0.860 335 K HN 0.462 nan 8.250 nan 0.000 0.515 336 G N 1.231 110.100 108.800 0.114 0.000 2.176 336 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 336 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 336 G C 0.357 175.258 174.900 0.002 0.000 0.979 336 G CA -0.108 45.041 45.100 0.082 0.000 0.641 336 G HN 0.425 nan 8.290 nan 0.000 0.530 337 C N 1.310 120.588 119.300 -0.036 0.000 2.596 337 C HA 0.478 4.938 4.460 -0.000 0.000 0.414 337 C C 2.017 176.884 174.990 -0.206 0.000 1.396 337 C CA 0.467 59.345 59.018 -0.233 0.000 1.698 337 C CB 0.094 27.477 27.740 -0.594 0.000 2.572 337 C HN 0.503 nan 8.230 nan 0.000 0.604 338 R N 2.640 122.997 120.500 -0.238 0.000 2.191 338 R HA 0.144 4.484 4.340 -0.000 0.000 0.196 338 R C 0.589 176.821 176.300 -0.114 0.000 0.991 338 R CA 0.474 56.474 56.100 -0.166 0.000 1.075 338 R CB -0.567 29.561 30.300 -0.286 0.000 1.040 338 R HN 0.724 nan 8.270 nan 0.000 0.526 339 C N 3.259 122.476 119.300 -0.137 0.000 2.251 339 C HA 0.627 5.087 4.460 -0.000 0.000 0.323 339 C C -0.077 174.862 174.990 -0.085 0.000 1.241 339 C CA -0.731 58.252 59.018 -0.059 0.000 1.601 339 C CB -1.040 26.694 27.740 -0.010 0.000 2.251 339 C HN 0.216 nan 8.230 nan 0.000 0.488 340 L N 4.607 125.808 121.223 -0.036 0.000 2.313 340 L HA 0.680 5.020 4.340 -0.000 0.000 0.268 340 L C 0.026 176.932 176.870 0.061 0.000 1.010 340 L CA -0.560 54.273 54.840 -0.012 0.000 0.814 340 L CB 1.179 43.293 42.059 0.092 0.000 1.304 340 L HN 0.530 nan 8.230 nan 0.000 0.441 341 E N 1.359 121.608 120.200 0.081 0.000 2.187 341 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 341 E C -1.632 175.144 176.600 0.293 0.000 0.896 341 E CA -0.753 55.720 56.400 0.121 0.000 0.766 341 E CB 2.311 32.014 29.700 0.006 0.000 1.142 341 E HN 0.240 nan 8.360 nan 0.000 0.408 342 L N 3.314 124.683 121.223 0.242 0.000 2.372 342 L HA 0.304 4.644 4.340 -0.000 0.000 0.274 342 L C -0.935 176.042 176.870 0.178 0.000 0.988 342 L CA -0.574 54.427 54.840 0.267 0.000 0.833 342 L CB 1.577 43.748 42.059 0.187 0.000 1.236 342 L HN 0.342 nan 8.230 nan 0.000 0.410 343 D N 2.203 122.681 120.400 0.130 0.000 2.467 343 D HA 0.318 4.958 4.640 -0.000 0.000 0.220 343 D C -0.728 175.590 176.300 0.030 0.000 1.103 343 D CA -0.137 53.908 54.000 0.076 0.000 0.886 343 D CB 0.764 41.667 40.800 0.172 0.000 1.025 343 D HN 0.393 nan 8.370 nan 0.000 0.514 344 C N 3.020 122.256 119.300 -0.107 0.000 2.347 344 C HA 0.582 5.042 4.460 -0.000 0.000 0.353 344 C C -0.123 174.640 174.990 -0.379 0.000 1.273 344 C CA -1.106 57.845 59.018 -0.112 0.000 1.861 344 C CB -1.009 26.647 27.740 -0.140 0.000 2.420 344 C HN 0.527 nan 8.230 nan 0.000 0.542 345 W N 0.697 122.037 121.300 0.067 0.000 2.950 345 W HA 0.400 5.060 4.660 -0.000 0.000 0.340 345 W C -0.397 176.143 176.519 0.035 0.000 1.139 345 W CA -0.515 56.874 57.345 0.074 0.000 1.188 345 W CB 0.634 30.194 29.460 0.167 0.000 1.426 345 W HN 0.482 nan 8.180 nan 0.000 0.531 346 D N 0.839 121.385 120.400 0.243 0.000 2.472 346 D HA 0.378 5.018 4.640 -0.000 0.000 0.237 346 D C 0.424 176.791 176.300 0.111 0.000 1.141 346 D CA 0.867 54.939 54.000 0.119 0.000 0.875 346 D CB 0.876 41.728 40.800 0.088 0.000 1.192 346 D HN 0.494 nan 8.370 nan 0.000 0.450 347 G N 0.919 109.755 108.800 0.060 0.000 2.714 347 G HA2 0.595 4.555 3.960 -0.000 0.000 0.292 347 G HA3 0.595 4.555 3.960 -0.000 0.000 0.292 347 G C -2.807 172.100 174.900 0.012 0.000 1.308 347 G CA -1.344 43.772 45.100 0.027 0.000 0.964 347 G HN 0.224 nan 8.290 nan 0.000 0.484 348 P HA 0.044 nan 4.420 nan 0.000 0.269 348 P C 0.419 177.723 177.300 0.007 0.000 1.217 348 P CA -0.055 63.042 63.100 -0.005 0.000 0.783 348 P CB 0.382 32.072 31.700 -0.016 0.000 0.898 349 N N 1.732 120.436 118.700 0.005 0.000 2.727 349 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 349 N C -0.310 175.210 175.510 0.016 0.000 1.048 349 N CA 0.433 53.489 53.050 0.010 0.000 0.714 349 N CB -0.686 37.809 38.487 0.013 0.000 0.959 349 N HN 0.493 nan 8.380 nan 0.000 0.544 350 Q N -2.091 117.715 119.800 0.010 0.000 2.461 350 Q HA -0.217 4.123 4.340 -0.000 0.000 0.264 350 Q C -0.945 175.069 176.000 0.024 0.000 1.085 350 Q CA 1.367 57.173 55.803 0.005 0.000 1.006 350 Q CB -0.841 27.893 28.738 -0.007 0.000 1.437 350 Q HN 0.570 nan 8.270 nan 0.000 0.514 351 E N 0.743 120.971 120.200 0.046 0.000 2.114 351 E HA 0.356 4.706 4.350 -0.000 0.000 0.266 351 E C -2.354 174.296 176.600 0.082 0.000 0.896 351 E CA -2.139 54.318 56.400 0.094 0.000 0.750 351 E CB 1.360 31.118 29.700 0.097 0.000 1.121 351 E HN -0.008 nan 8.360 nan 0.000 0.413 352 P HA 0.076 nan 4.420 nan 0.000 0.266 352 P C -0.040 177.341 177.300 0.135 0.000 1.195 352 P CA 0.237 63.368 63.100 0.051 0.000 0.768 352 P CB 0.390 32.022 31.700 -0.113 0.000 0.838 353 I N -0.312 120.350 120.570 0.154 0.000 3.023 353 I HA 0.648 4.818 4.170 -0.000 0.000 0.312 353 I C -0.514 175.767 176.117 0.274 0.000 1.056 353 I CA -1.311 60.095 61.300 0.176 0.000 1.033 353 I CB 1.926 39.980 38.000 0.089 0.000 1.233 353 I HN 0.088 nan 8.210 nan 0.000 0.462 354 I N 2.888 123.591 120.570 0.222 0.000 2.499 354 I HA 0.535 4.705 4.170 -0.000 0.000 0.288 354 I C -1.182 174.985 176.117 0.082 0.000 1.048 354 I CA -0.549 60.840 61.300 0.148 0.000 1.062 354 I CB 1.956 39.977 38.000 0.035 0.000 1.238 354 I HN 0.794 nan 8.210 nan 0.000 0.426 355 Y N 3.677 123.785 120.300 -0.320 0.000 2.852 355 Y HA 0.328 4.878 4.550 -0.000 0.000 0.350 355 Y C -1.342 174.475 175.900 -0.139 0.000 1.272 355 Y CA -1.321 56.580 58.100 -0.331 0.000 1.086 355 Y CB 0.783 39.149 38.460 -0.156 0.000 1.408 355 Y HN 0.492 nan 8.280 nan 0.000 0.447 356 H N 1.408 120.318 119.070 -0.267 0.000 2.911 356 H HA 0.448 5.003 4.556 -0.000 0.000 0.273 356 H C 0.586 175.439 175.328 -0.792 0.000 1.157 356 H CA -0.265 55.657 56.048 -0.209 0.000 1.402 356 H CB 0.340 30.164 29.762 0.104 0.000 1.463 356 H HN 1.121 nan 8.280 nan 0.000 0.475 357 G N 3.417 111.669 108.800 -0.914 0.000 2.224 357 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.239 357 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.239 357 G C -0.574 173.685 174.900 -1.069 0.000 1.240 357 G CA 0.166 44.251 45.100 -1.691 0.000 0.896 357 G HN 0.941 nan 8.290 nan 0.000 0.496 358 Y N -1.015 118.842 120.300 -0.738 0.000 4.569 358 Y HA -0.277 4.273 4.550 -0.000 0.000 0.237 358 Y C 1.418 177.107 175.900 -0.352 0.000 1.090 358 Y CA 1.093 58.934 58.100 -0.432 0.000 2.052 358 Y CB -2.618 35.664 38.460 -0.297 0.000 1.621 358 Y HN 1.141 nan 8.280 nan 0.000 0.682 359 T N -5.288 109.111 114.554 -0.259 0.000 2.742 359 T HA 0.724 5.074 4.350 -0.000 0.000 0.282 359 T C -0.011 174.634 174.700 -0.090 0.000 1.025 359 T CA -0.641 61.408 62.100 -0.084 0.000 1.020 359 T CB 0.906 69.739 68.868 -0.059 0.000 1.317 359 T HN -0.130 nan 8.240 nan 0.000 0.538 360 F N 1.428 121.401 119.950 0.039 0.000 2.639 360 F HA 0.268 4.795 4.527 -0.000 0.000 0.300 360 F C 1.602 177.451 175.800 0.081 0.000 1.109 360 F CA -0.625 57.404 58.000 0.048 0.000 1.335 360 F CB -0.361 38.656 39.000 0.028 0.000 1.014 360 F HN 0.729 nan 8.300 nan 0.000 0.537 361 T N -1.369 113.350 114.554 0.275 0.000 2.930 361 T HA 0.226 4.576 4.350 -0.000 0.000 0.306 361 T C 0.704 175.532 174.700 0.213 0.000 1.045 361 T CA -0.592 61.664 62.100 0.260 0.000 1.134 361 T CB 1.123 70.187 68.868 0.327 0.000 0.961 361 T HN 0.254 nan 8.240 nan 0.000 0.545 362 S N 2.106 117.898 115.700 0.154 0.000 2.580 362 S HA 0.312 4.782 4.470 -0.000 0.000 0.266 362 S C -0.234 174.417 174.600 0.085 0.000 1.354 362 S CA -0.516 57.733 58.200 0.083 0.000 1.008 362 S CB 0.118 63.360 63.200 0.069 0.000 0.898 362 S HN 0.823 nan 8.310 nan 0.000 0.555 363 K N 0.638 121.033 120.400 -0.009 0.000 2.238 363 K HA 0.805 5.125 4.320 -0.000 0.000 0.239 363 K C -0.339 176.271 176.600 0.016 0.000 0.987 363 K CA -0.749 55.520 56.287 -0.029 0.000 0.857 363 K CB 1.505 33.870 32.500 -0.224 0.000 1.154 363 K HN 0.794 nan 8.250 nan 0.000 0.439 364 I N -2.690 117.904 120.570 0.039 0.000 3.195 364 I HA 0.430 4.600 4.170 -0.000 0.000 0.313 364 I C -1.318 174.828 176.117 0.048 0.000 1.237 364 I CA -1.365 59.962 61.300 0.046 0.000 0.963 364 I CB 1.344 39.392 38.000 0.080 0.000 1.278 364 I HN 0.303 nan 8.210 nan 0.000 0.460 365 L N 2.173 123.415 121.223 0.031 0.000 2.326 365 L HA 0.279 4.619 4.340 -0.000 0.000 0.278 365 L C 0.771 177.668 176.870 0.044 0.000 1.092 365 L CA -0.278 54.589 54.840 0.045 0.000 0.810 365 L CB 1.181 43.245 42.059 0.009 0.000 1.153 365 L HN 0.710 nan 8.230 nan 0.000 0.439 366 F N 3.149 123.068 119.950 -0.052 0.000 2.126 366 F HA -0.294 4.233 4.527 -0.000 0.000 0.299 366 F C 2.522 178.221 175.800 -0.168 0.000 1.096 366 F CA 2.042 59.995 58.000 -0.078 0.000 1.255 366 F CB -0.011 38.981 39.000 -0.013 0.000 0.997 366 F HN 0.723 nan 8.300 nan 0.000 0.479 367 C N -0.227 118.991 119.300 -0.136 0.000 2.446 367 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 367 C C 2.424 177.235 174.990 -0.299 0.000 1.275 367 C CA 0.917 59.690 59.018 -0.409 0.000 1.727 367 C CB -1.415 25.913 27.740 -0.688 0.000 2.010 367 C HN 0.427 nan 8.230 nan 0.000 0.486 368 D N 1.294 121.577 120.400 -0.194 0.000 2.149 368 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 368 D C 2.369 178.550 176.300 -0.197 0.000 0.990 368 D CA 1.323 55.236 54.000 -0.145 0.000 0.839 368 D CB -0.373 40.379 40.800 -0.079 0.000 0.948 368 D HN 0.452 nan 8.370 nan 0.000 0.460 369 V N 0.802 120.545 119.914 -0.286 0.000 2.427 369 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 369 V C 2.552 178.364 176.094 -0.470 0.000 1.051 369 V CA 0.951 62.992 62.300 -0.432 0.000 1.048 369 V CB -0.328 31.140 31.823 -0.593 0.000 0.666 369 V HN 0.237 nan 8.190 nan 0.000 0.456 370 L N -0.641 120.289 121.223 -0.488 0.000 2.083 370 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 370 L C 2.780 179.512 176.870 -0.231 0.000 1.083 370 L CA 1.578 56.177 54.840 -0.401 0.000 0.752 370 L CB -0.565 41.244 42.059 -0.418 0.000 0.899 370 L HN 0.278 nan 8.230 nan 0.000 0.433 371 R N -0.119 120.269 120.500 -0.186 0.000 2.066 371 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 371 R C 2.470 178.737 176.300 -0.056 0.000 1.131 371 R CA 1.320 57.359 56.100 -0.101 0.000 0.955 371 R CB -0.471 29.783 30.300 -0.078 0.000 0.851 371 R HN 0.325 nan 8.270 nan 0.000 0.432 372 A N 1.323 124.107 122.820 -0.061 0.000 1.908 372 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 372 A C 2.162 179.781 177.584 0.060 0.000 1.181 372 A CA 1.309 53.370 52.037 0.040 0.000 0.627 372 A CB -0.535 18.454 19.000 -0.018 0.000 0.818 372 A HN 0.194 nan 8.150 nan 0.000 0.445 373 I N -1.109 119.405 120.570 -0.093 0.000 2.226 373 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 373 I C 2.736 178.810 176.117 -0.072 0.000 1.100 373 I CA 1.619 62.858 61.300 -0.102 0.000 1.374 373 I CB -0.358 37.520 38.000 -0.202 0.000 1.057 373 I HN 0.402 nan 8.210 nan 0.000 0.413 374 R N 1.089 121.548 120.500 -0.069 0.000 2.083 374 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 374 R C 1.708 177.992 176.300 -0.027 0.000 1.137 374 R CA 2.231 58.308 56.100 -0.038 0.000 0.951 374 R CB -0.230 30.049 30.300 -0.035 0.000 0.851 374 R HN 0.300 nan 8.270 nan 0.000 0.434 375 D N -1.018 119.369 120.400 -0.022 0.000 2.264 375 D HA -0.129 4.510 4.640 -0.000 0.000 0.208 375 D C 0.801 176.935 176.300 -0.277 0.000 0.966 375 D CA 1.209 55.131 54.000 -0.131 0.000 0.864 375 D CB 0.072 40.792 40.800 -0.133 0.000 0.933 375 D HN 0.395 nan 8.370 nan 0.000 0.499 376 Y N -0.460 119.800 120.300 -0.067 0.000 2.471 376 Y HA 0.400 4.950 4.550 -0.000 0.000 0.249 376 Y C 2.026 177.837 175.900 -0.149 0.000 1.116 376 Y CA -0.193 57.865 58.100 -0.069 0.000 1.240 376 Y CB 0.057 38.486 38.460 -0.050 0.000 1.251 376 Y HN -0.142 nan 8.280 nan 0.000 0.527 377 A N 0.337 123.060 122.820 -0.161 0.000 1.971 377 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 377 A C 1.090 178.189 177.584 -0.809 0.000 1.182 377 A CA 2.255 53.937 52.037 -0.592 0.000 0.649 377 A CB -0.947 17.488 19.000 -0.942 0.000 0.818 377 A HN 0.445 nan 8.150 nan 0.000 0.458 378 F N -1.751 118.219 119.950 0.033 0.000 2.735 378 F HA 0.276 4.802 4.527 -0.000 0.000 0.308 378 F C 1.381 177.191 175.800 0.018 0.000 1.112 378 F CA -0.055 57.956 58.000 0.018 0.000 1.235 378 F CB 0.153 39.142 39.000 -0.018 0.000 1.027 378 F HN 0.173 nan 8.300 nan 0.000 0.528 379 K N 1.647 122.124 120.400 0.128 0.000 2.063 379 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 379 K C 1.926 178.595 176.600 0.115 0.000 1.048 379 K CA 1.830 58.180 56.287 0.105 0.000 0.928 379 K CB -0.074 32.502 32.500 0.126 0.000 0.713 379 K HN 0.227 nan 8.250 nan 0.000 0.442 380 A N -0.316 122.578 122.820 0.123 0.000 2.220 380 A HA 0.191 4.510 4.320 -0.000 0.000 0.211 380 A C 0.571 178.242 177.584 0.145 0.000 1.176 380 A CA 0.372 52.481 52.037 0.119 0.000 0.834 380 A CB 0.220 19.285 19.000 0.107 0.000 0.868 380 A HN 0.310 nan 8.150 nan 0.000 0.488 381 S N -1.561 114.249 115.700 0.183 0.000 2.567 381 S HA 0.496 4.966 4.470 -0.000 0.000 0.270 381 S C -2.885 171.872 174.600 0.262 0.000 1.152 381 S CA -0.360 57.974 58.200 0.223 0.000 0.835 381 S CB 1.697 65.075 63.200 0.298 0.000 1.115 381 S HN -0.079 nan 8.310 nan 0.000 0.459 382 P HA 0.215 nan 4.420 nan 0.000 0.259 382 P C -0.193 176.952 177.300 -0.258 0.000 1.233 382 P CA 0.089 63.087 63.100 -0.170 0.000 0.827 382 P CB -0.012 31.427 31.700 -0.436 0.000 1.154 383 Y N 2.822 123.226 120.300 0.172 0.000 2.379 383 Y HA 0.196 4.746 4.550 -0.000 0.000 0.337 383 Y C -1.373 174.725 175.900 0.331 0.000 1.238 383 Y CA -2.497 55.662 58.100 0.098 0.000 1.405 383 Y CB -0.955 37.492 38.460 -0.022 0.000 1.310 383 Y HN -0.048 nan 8.280 nan 0.000 0.569 384 P HA -0.060 nan 4.420 nan 0.000 0.264 384 P C -0.692 176.852 177.300 0.407 0.000 1.179 384 P CA 0.274 63.605 63.100 0.386 0.000 0.763 384 P CB 0.676 32.492 31.700 0.193 0.000 0.806 385 V N 5.188 125.255 119.914 0.254 0.000 2.472 385 V HA 0.338 4.458 4.120 -0.000 0.000 0.290 385 V C 0.667 176.826 176.094 0.108 0.000 1.037 385 V CA -0.588 61.763 62.300 0.085 0.000 0.908 385 V CB 1.218 32.967 31.823 -0.124 0.000 0.985 385 V HN 0.370 nan 8.190 nan 0.000 0.454 386 I N 5.818 126.443 120.570 0.092 0.000 2.378 386 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 386 I C -0.645 175.511 176.117 0.067 0.000 0.992 386 I CA -0.454 60.908 61.300 0.103 0.000 1.154 386 I CB 1.570 39.647 38.000 0.128 0.000 1.315 386 I HN 0.316 nan 8.210 nan 0.000 0.448 387 L N 5.318 126.583 121.223 0.069 0.000 2.287 387 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 387 L C 0.285 177.201 176.870 0.076 0.000 1.022 387 L CA -0.307 54.568 54.840 0.059 0.000 0.814 387 L CB 1.589 43.670 42.059 0.037 0.000 1.217 387 L HN 0.540 nan 8.230 nan 0.000 0.420 388 S N 5.043 120.790 115.700 0.078 0.000 2.411 388 S HA 0.528 4.998 4.470 -0.000 0.000 0.294 388 S C -0.362 174.280 174.600 0.070 0.000 1.115 388 S CA -0.611 57.634 58.200 0.074 0.000 1.071 388 S CB 0.044 63.290 63.200 0.076 0.000 0.967 388 S HN 0.420 nan 8.310 nan 0.000 0.488 389 L N 4.743 125.996 121.223 0.050 0.000 2.275 389 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 389 L C 0.418 177.262 176.870 -0.043 0.000 1.046 389 L CA -0.386 54.473 54.840 0.032 0.000 0.805 389 L CB 1.255 43.335 42.059 0.034 0.000 1.193 389 L HN 0.634 nan 8.230 nan 0.000 0.426 390 E N 3.489 123.645 120.200 -0.074 0.000 2.101 390 E HA 0.140 4.490 4.350 -0.000 0.000 0.260 390 E C -0.880 175.490 176.600 -0.383 0.000 0.897 390 E CA -0.621 55.664 56.400 -0.192 0.000 0.744 390 E CB 0.897 30.551 29.700 -0.076 0.000 1.140 390 E HN 0.475 nan 8.360 nan 0.000 0.419 391 N N 3.080 121.492 118.700 -0.480 0.000 2.439 391 N HA 0.084 4.824 4.740 -0.000 0.000 0.249 391 N C -0.755 174.301 175.510 -0.757 0.000 1.003 391 N CA -0.189 52.555 53.050 -0.510 0.000 0.942 391 N CB 0.544 38.848 38.487 -0.305 0.000 1.115 391 N HN 0.502 nan 8.380 nan 0.000 0.505 392 H N 2.120 120.818 119.070 -0.620 0.000 2.475 392 H HA 0.264 4.820 4.556 -0.000 0.000 0.276 392 H C -0.179 174.933 175.328 -0.359 0.000 1.126 392 H CA -0.350 55.308 56.048 -0.651 0.000 1.023 392 H CB 0.018 28.872 29.762 -1.514 0.000 1.669 392 H HN 0.400 nan 8.280 nan 0.000 0.573 393 C N 2.274 121.454 119.300 -0.200 0.000 2.405 393 C HA 0.293 4.753 4.460 -0.000 0.000 0.365 393 C C 1.341 176.284 174.990 -0.079 0.000 1.233 393 C CA -0.486 58.464 59.018 -0.114 0.000 2.230 393 C CB 0.959 28.603 27.740 -0.160 0.000 2.443 393 C HN 0.652 nan 8.230 nan 0.000 0.556 394 S N 2.577 118.254 115.700 -0.039 0.000 2.580 394 S HA 0.124 4.594 4.470 -0.000 0.000 0.266 394 S C 0.997 175.565 174.600 -0.054 0.000 1.354 394 S CA -0.255 57.927 58.200 -0.030 0.000 1.008 394 S CB 0.200 63.391 63.200 -0.014 0.000 0.898 394 S HN 0.627 nan 8.310 nan 0.000 0.555 395 L N 0.154 121.349 121.223 -0.047 0.000 2.083 395 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 395 L C 2.977 179.810 176.870 -0.061 0.000 1.083 395 L CA 1.711 56.518 54.840 -0.055 0.000 0.752 395 L CB -0.699 41.334 42.059 -0.043 0.000 0.899 395 L HN 0.766 nan 8.230 nan 0.000 0.433 396 E N 0.629 120.798 120.200 -0.050 0.000 2.017 396 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 396 E C 2.155 178.711 176.600 -0.073 0.000 0.997 396 E CA 1.611 57.978 56.400 -0.054 0.000 0.804 396 E CB -0.199 29.478 29.700 -0.039 0.000 0.757 396 E HN 0.406 nan 8.360 nan 0.000 0.448 397 Q N -0.205 119.552 119.800 -0.072 0.000 2.226 397 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 397 Q C 2.283 178.192 176.000 -0.152 0.000 0.975 397 Q CA 1.222 56.967 55.803 -0.096 0.000 0.866 397 Q CB -0.103 28.593 28.738 -0.069 0.000 0.915 397 Q HN 0.482 nan 8.270 nan 0.000 0.440 398 Q N 0.288 120.003 119.800 -0.141 0.000 2.084 398 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 398 Q C 2.077 177.988 176.000 -0.148 0.000 0.978 398 Q CA 0.967 56.670 55.803 -0.166 0.000 0.844 398 Q CB -0.087 28.573 28.738 -0.130 0.000 0.898 398 Q HN 0.281 nan 8.270 nan 0.000 0.426 399 R N -0.029 120.402 120.500 -0.115 0.000 2.091 399 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 399 R C 2.343 178.565 176.300 -0.129 0.000 1.136 399 R CA 1.395 57.434 56.100 -0.101 0.000 0.959 399 R CB -0.347 29.904 30.300 -0.082 0.000 0.856 399 R HN 0.095 nan 8.270 nan 0.000 0.437 400 V N 1.117 120.937 119.914 -0.156 0.000 2.332 400 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 400 V C 2.322 178.270 176.094 -0.244 0.000 1.055 400 V CA 1.935 64.097 62.300 -0.230 0.000 1.038 400 V CB -0.412 31.296 31.823 -0.192 0.000 0.651 400 V HN 0.361 nan 8.190 nan 0.000 0.450 401 M N -0.172 119.290 119.600 -0.229 0.000 2.073 401 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 401 M C 2.410 178.709 176.300 -0.002 0.000 1.070 401 M CA 2.416 57.547 55.300 -0.281 0.000 1.103 401 M CB -0.637 31.621 32.600 -0.570 0.000 1.321 401 M HN 0.408 nan 8.290 nan 0.000 0.405 402 A N 0.101 122.890 122.820 -0.052 0.000 1.940 402 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 402 A C 2.088 179.686 177.584 0.024 0.000 1.176 402 A CA 1.863 53.903 52.037 0.005 0.000 0.631 402 A CB -0.675 18.308 19.000 -0.028 0.000 0.814 402 A HN 0.438 nan 8.150 nan 0.000 0.446 403 R N -1.535 118.942 120.500 -0.038 0.000 2.070 403 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 403 R C 2.286 178.611 176.300 0.042 0.000 1.137 403 R CA 1.621 57.691 56.100 -0.050 0.000 0.945 403 R CB -0.505 29.701 30.300 -0.157 0.000 0.845 403 R HN 0.627 nan 8.270 nan 0.000 0.430 404 H N 0.699 119.825 119.070 0.094 0.000 2.319 404 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 404 H C 2.207 177.604 175.328 0.116 0.000 1.092 404 H CA 1.527 57.655 56.048 0.132 0.000 1.302 404 H CB -0.442 29.481 29.762 0.267 0.000 1.373 404 H HN 0.154 nan 8.280 nan 0.000 0.497 405 L N -0.001 121.398 121.223 0.294 0.000 1.990 405 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 405 L C 2.919 179.851 176.870 0.104 0.000 1.072 405 L CA 1.503 56.448 54.840 0.176 0.000 0.755 405 L CB -0.339 41.825 42.059 0.176 0.000 0.889 405 L HN 0.148 nan 8.230 nan 0.000 0.432 406 R N -0.565 119.990 120.500 0.091 0.000 2.070 406 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 406 R C 2.390 178.725 176.300 0.058 0.000 1.137 406 R CA 1.435 57.571 56.100 0.059 0.000 0.945 406 R CB -0.382 29.943 30.300 0.041 0.000 0.845 406 R HN 0.387 nan 8.270 nan 0.000 0.430 407 A N 0.730 123.594 122.820 0.074 0.000 1.908 407 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 407 A C 2.074 179.694 177.584 0.060 0.000 1.181 407 A CA 1.499 53.578 52.037 0.070 0.000 0.627 407 A CB -0.450 18.611 19.000 0.102 0.000 0.818 407 A HN 0.294 nan 8.150 nan 0.000 0.445 408 I N -1.513 119.096 120.570 0.065 0.000 2.429 408 I HA -0.073 4.097 4.170 -0.000 0.000 0.247 408 I C 1.967 178.092 176.117 0.014 0.000 1.099 408 I CA 0.461 61.777 61.300 0.026 0.000 1.422 408 I CB -0.201 37.794 38.000 -0.008 0.000 1.112 408 I HN 0.173 nan 8.210 nan 0.000 0.430 409 L N 0.730 121.967 121.223 0.023 0.000 2.179 409 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 409 L C 1.786 178.678 176.870 0.037 0.000 1.096 409 L CA 1.382 56.238 54.840 0.027 0.000 0.779 409 L CB -1.623 40.456 42.059 0.033 0.000 0.922 409 L HN 0.411 nan 8.230 nan 0.000 0.443 410 G N 0.421 109.243 108.800 0.036 0.000 2.651 410 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.315 410 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.315 410 G C -1.179 173.741 174.900 0.032 0.000 1.258 410 G CA 0.469 45.587 45.100 0.031 0.000 1.002 410 G HN 0.268 nan 8.290 nan 0.000 0.551 411 P HA 0.051 nan 4.420 nan 0.000 0.222 411 P C 1.967 179.286 177.300 0.031 0.000 1.147 411 P CA 1.384 64.496 63.100 0.021 0.000 0.790 411 P CB -0.072 31.632 31.700 0.007 0.000 0.780 412 I N -1.043 119.557 120.570 0.051 0.000 2.286 412 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 412 I C 1.350 177.524 176.117 0.096 0.000 1.115 412 I CA 0.545 61.898 61.300 0.087 0.000 1.392 412 I CB -1.046 37.046 38.000 0.154 0.000 1.065 412 I HN -0.043 nan 8.210 nan 0.000 0.418 413 L N 1.393 122.663 121.223 0.078 0.000 2.490 413 L HA 0.094 4.434 4.340 -0.000 0.000 0.274 413 L C -0.248 176.667 176.870 0.074 0.000 1.201 413 L CA 0.148 55.035 54.840 0.078 0.000 0.869 413 L CB 0.154 42.250 42.059 0.062 0.000 1.123 413 L HN 0.113 nan 8.230 nan 0.000 0.484 414 L N 5.356 126.633 121.223 0.091 0.000 2.255 414 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 414 L C -0.057 176.859 176.870 0.076 0.000 1.046 414 L CA 0.143 55.040 54.840 0.095 0.000 0.816 414 L CB 0.507 42.651 42.059 0.142 0.000 1.197 414 L HN 0.833 nan 8.230 nan 0.000 0.427 415 D N 2.183 122.613 120.400 0.050 0.000 2.479 415 D HA 0.167 4.807 4.640 -0.000 0.000 0.218 415 D C -0.241 176.060 176.300 0.002 0.000 1.177 415 D CA -0.088 53.927 54.000 0.024 0.000 0.830 415 D CB 0.380 41.192 40.800 0.019 0.000 1.014 415 D HN 0.353 nan 8.370 nan 0.000 0.503 416 Q N 0.419 120.227 119.800 0.012 0.000 2.377 416 Q HA 0.421 4.761 4.340 -0.000 0.000 0.279 416 Q C -2.781 173.221 176.000 0.005 0.000 1.049 416 Q CA -1.575 54.222 55.803 -0.009 0.000 0.825 416 Q CB 2.498 31.240 28.738 0.007 0.000 1.401 416 Q HN -0.025 nan 8.270 nan 0.000 0.404 417 P HA 0.116 nan 4.420 nan 0.000 0.270 417 P C -0.511 176.879 177.300 0.150 0.000 1.227 417 P CA -0.228 62.860 63.100 -0.020 0.000 0.788 417 P CB 0.507 32.164 31.700 -0.071 0.000 0.926 418 L N 1.815 123.224 121.223 0.311 0.000 2.292 418 L HA 0.194 4.534 4.340 -0.000 0.000 0.284 418 L C 0.604 177.551 176.870 0.129 0.000 1.065 418 L CA -0.283 54.672 54.840 0.191 0.000 0.806 418 L CB 0.396 42.554 42.059 0.165 0.000 1.175 418 L HN 0.281 nan 8.230 nan 0.000 0.431 419 D N 2.981 123.426 120.400 0.074 0.000 2.533 419 D HA 0.317 4.956 4.640 -0.000 0.000 0.236 419 D C 0.677 177.007 176.300 0.049 0.000 1.137 419 D CA 1.654 55.686 54.000 0.053 0.000 0.867 419 D CB 0.876 41.696 40.800 0.032 0.000 1.170 419 D HN 0.745 nan 8.370 nan 0.000 0.474 420 G N 1.975 110.805 108.800 0.051 0.000 2.603 420 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.245 420 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.245 420 G C 0.125 175.066 174.900 0.067 0.000 1.195 420 G CA -0.093 45.032 45.100 0.041 0.000 0.953 420 G HN 1.224 nan 8.290 nan 0.000 0.566 421 V N 0.707 120.648 119.914 0.046 0.000 5.678 421 V HA -0.241 3.879 4.120 -0.000 0.000 0.205 421 V C 1.972 178.147 176.094 0.134 0.000 0.703 421 V CA 3.104 65.437 62.300 0.057 0.000 0.545 421 V CB -2.427 29.471 31.823 0.125 0.000 0.202 421 V HN 2.155 nan 8.190 nan 0.000 0.481 422 T N -2.103 112.498 114.554 0.078 0.000 2.988 422 T HA -0.025 4.325 4.350 -0.000 0.000 0.240 422 T C 1.551 176.383 174.700 0.219 0.000 1.014 422 T CA 0.942 63.139 62.100 0.161 0.000 1.155 422 T CB 0.216 69.151 68.868 0.112 0.000 0.872 422 T HN 0.880 nan 8.240 nan 0.000 0.440 423 T N -1.274 113.302 114.554 0.036 0.000 3.086 423 T HA 0.467 4.817 4.350 -0.000 0.000 0.250 423 T C 0.611 175.067 174.700 -0.405 0.000 1.074 423 T CA -0.316 61.814 62.100 0.049 0.000 0.988 423 T CB 0.077 68.983 68.868 0.063 0.000 0.988 423 T HN 0.286 nan 8.240 nan 0.000 0.530 424 S N -0.347 114.818 115.700 -0.891 0.000 2.651 424 S HA 0.654 5.124 4.470 -0.000 0.000 0.279 424 S C -0.850 173.074 174.600 -1.128 0.000 1.148 424 S CA -0.873 56.688 58.200 -1.064 0.000 0.837 424 S CB 1.357 64.306 63.200 -0.418 0.000 1.138 424 S HN 0.377 nan 8.310 nan 0.000 0.478 425 L N 2.992 123.847 121.223 -0.614 0.000 2.461 425 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 425 L C -1.930 174.745 176.870 -0.324 0.000 1.197 425 L CA -1.427 53.279 54.840 -0.222 0.000 0.836 425 L CB 0.307 42.377 42.059 0.019 0.000 1.105 425 L HN 0.455 nan 8.230 nan 0.000 0.477 426 P HA 0.049 nan 4.420 nan 0.000 0.280 426 P C -0.928 176.225 177.300 -0.246 0.000 1.278 426 P CA -0.444 62.437 63.100 -0.364 0.000 0.787 426 P CB 0.451 31.861 31.700 -0.484 0.000 1.163 427 S N -1.932 113.646 115.700 -0.203 0.000 2.718 427 S HA 0.493 4.963 4.470 -0.000 0.000 0.300 427 S C -2.067 172.371 174.600 -0.270 0.000 1.117 427 S CA -1.482 56.603 58.200 -0.192 0.000 1.002 427 S CB 0.996 64.117 63.200 -0.131 0.000 1.092 427 S HN 0.125 nan 8.310 nan 0.000 0.542 428 P HA -0.051 nan 4.420 nan 0.000 0.216 428 P C 1.432 178.689 177.300 -0.072 0.000 1.153 428 P CA 1.036 63.817 63.100 -0.532 0.000 0.848 428 P CB 0.067 31.065 31.700 -1.170 0.000 0.787 429 E N -0.125 120.048 120.200 -0.046 0.000 2.058 429 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 429 E C 2.076 178.646 176.600 -0.050 0.000 0.997 429 E CA 1.385 57.809 56.400 0.040 0.000 0.801 429 E CB -0.576 29.131 29.700 0.012 0.000 0.746 429 E HN 0.417 nan 8.360 nan 0.000 0.450 430 Q N -0.133 119.616 119.800 -0.085 0.000 2.170 430 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 430 Q C 2.025 177.973 176.000 -0.086 0.000 0.976 430 Q CA 0.813 56.564 55.803 -0.087 0.000 0.858 430 Q CB 0.013 28.688 28.738 -0.106 0.000 0.907 430 Q HN 0.222 nan 8.270 nan 0.000 0.433 431 L N 0.414 121.577 121.223 -0.099 0.000 2.611 431 L HA 0.118 4.458 4.340 -0.000 0.000 0.229 431 L C 0.463 177.296 176.870 -0.063 0.000 1.137 431 L CA -0.269 54.532 54.840 -0.066 0.000 0.901 431 L CB 0.134 42.153 42.059 -0.067 0.000 1.098 431 L HN 0.004 nan 8.230 nan 0.000 0.456 432 K N 0.770 121.102 120.400 -0.112 0.000 2.530 432 K HA 0.065 4.385 4.320 -0.000 0.000 0.280 432 K C 1.280 177.701 176.600 -0.299 0.000 1.004 432 K CA 1.105 57.257 56.287 -0.226 0.000 1.071 432 K CB 0.224 32.544 32.500 -0.300 0.000 0.876 432 K HN 0.232 nan 8.250 nan 0.000 0.487 433 G N 2.463 110.946 108.800 -0.528 0.000 2.184 433 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 433 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 433 G C -0.190 174.453 174.900 -0.428 0.000 0.975 433 G CA 0.402 44.965 45.100 -0.895 0.000 0.642 433 G HN 0.501 nan 8.290 nan 0.000 0.536 434 K N -0.202 120.176 120.400 -0.037 0.000 2.168 434 K HA 0.812 5.132 4.320 -0.000 0.000 0.239 434 K C 0.217 177.026 176.600 0.350 0.000 0.999 434 K CA -1.010 55.369 56.287 0.153 0.000 0.900 434 K CB 1.351 33.906 32.500 0.091 0.000 1.111 434 K HN 0.225 nan 8.250 nan 0.000 0.452 435 I N 3.060 123.775 120.570 0.242 0.000 2.439 435 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 435 I C -0.458 175.745 176.117 0.143 0.000 1.021 435 I CA -0.837 60.572 61.300 0.182 0.000 1.091 435 I CB 1.121 39.192 38.000 0.119 0.000 1.242 435 I HN 0.263 nan 8.210 nan 0.000 0.439 436 L N 5.276 126.588 121.223 0.149 0.000 2.325 436 L HA 0.687 5.027 4.340 -0.000 0.000 0.278 436 L C -0.737 176.209 176.870 0.127 0.000 1.023 436 L CA -0.905 54.026 54.840 0.153 0.000 0.811 436 L CB 1.314 43.496 42.059 0.205 0.000 1.249 436 L HN 0.394 nan 8.230 nan 0.000 0.431 437 L N 2.751 124.041 121.223 0.112 0.000 2.350 437 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 437 L C 0.116 177.046 176.870 0.100 0.000 1.099 437 L CA -0.370 54.526 54.840 0.093 0.000 0.808 437 L CB 1.273 43.376 42.059 0.075 0.000 1.149 437 L HN 0.678 nan 8.230 nan 0.000 0.442 438 K N 1.920 122.374 120.400 0.090 0.000 2.376 438 K HA 0.755 5.075 4.320 -0.000 0.000 0.257 438 K C -0.738 175.894 176.600 0.054 0.000 0.939 438 K CA -0.218 56.124 56.287 0.091 0.000 0.809 438 K CB 2.123 34.687 32.500 0.107 0.000 1.121 438 K HN 0.856 nan 8.250 nan 0.000 0.425 439 G N 2.504 111.325 108.800 0.036 0.000 2.340 439 G HA2 0.146 4.106 3.960 -0.000 0.000 0.299 439 G HA3 0.146 4.106 3.960 -0.000 0.000 0.299 439 G C -1.548 173.338 174.900 -0.024 0.000 1.291 439 G CA -0.816 44.281 45.100 -0.006 0.000 0.841 439 G HN 0.389 nan 8.290 nan 0.000 0.500 440 K N 0.665 121.030 120.400 -0.059 0.000 2.350 440 K HA 0.308 4.628 4.320 -0.000 0.000 0.279 440 K C -0.370 176.199 176.600 -0.052 0.000 1.027 440 K CA -0.090 56.157 56.287 -0.068 0.000 0.969 440 K CB 1.752 34.194 32.500 -0.095 0.000 0.954 440 K HN 0.472 nan 8.250 nan 0.000 0.474 441 K N 3.707 124.082 120.400 -0.042 0.000 2.292 441 K HA 0.284 4.604 4.320 -0.000 0.000 0.257 441 K C 0.101 176.677 176.600 -0.041 0.000 0.940 441 K CA -0.617 55.647 56.287 -0.039 0.000 0.811 441 K CB 1.080 33.561 32.500 -0.031 0.000 1.120 441 K HN 0.448 nan 8.250 nan 0.000 0.428 488 L N 1.227 122.418 121.223 -0.054 0.000 2.611 488 L HA 0.507 4.847 4.340 -0.000 0.000 0.263 488 L C -0.761 176.075 176.870 -0.058 0.000 0.969 488 L CA -0.961 53.840 54.840 -0.066 0.000 0.894 488 L CB 1.503 43.521 42.059 -0.069 0.000 1.229 488 L HN -0.011 nan 8.230 nan 0.000 0.416 489 V N 3.929 123.805 119.914 -0.062 0.000 2.788 489 V HA 0.276 4.396 4.120 -0.000 0.000 0.307 489 V C -1.707 174.356 176.094 -0.051 0.000 1.069 489 V CA -0.250 62.017 62.300 -0.055 0.000 1.173 489 V CB 0.325 32.112 31.823 -0.060 0.000 0.925 489 V HN 0.820 nan 8.190 nan 0.000 0.492 490 P HA -0.072 nan 4.420 nan 0.000 0.216 490 P C 1.456 178.732 177.300 -0.040 0.000 1.153 490 P CA 1.470 64.546 63.100 -0.041 0.000 0.848 490 P CB 0.186 31.864 31.700 -0.036 0.000 0.787 491 E N -0.488 119.688 120.200 -0.040 0.000 2.086 491 E HA -0.190 4.160 4.350 -0.000 0.000 0.200 491 E C 2.038 178.619 176.600 -0.033 0.000 1.012 491 E CA 1.189 57.567 56.400 -0.036 0.000 0.812 491 E CB -0.965 28.710 29.700 -0.040 0.000 0.743 491 E HN 0.217 nan 8.360 nan 0.000 0.453 492 L N -0.475 120.723 121.223 -0.042 0.000 2.084 492 L HA -0.093 4.247 4.340 -0.000 0.000 0.202 492 L C 2.487 179.336 176.870 -0.036 0.000 1.074 492 L CA 1.069 55.886 54.840 -0.038 0.000 0.757 492 L CB -0.418 41.605 42.059 -0.060 0.000 0.918 492 L HN 0.161 nan 8.230 nan 0.000 0.444 493 S N -0.206 115.467 115.700 -0.045 0.000 2.402 493 S HA -0.238 4.232 4.470 -0.000 0.000 0.233 493 S C 1.512 176.085 174.600 -0.045 0.000 1.030 493 S CA 1.809 59.982 58.200 -0.045 0.000 1.003 493 S CB -0.311 62.860 63.200 -0.049 0.000 0.813 493 S HN 0.387 nan 8.310 nan 0.000 0.477 494 D N 0.695 121.070 120.400 -0.042 0.000 2.219 494 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 494 D C 1.674 177.949 176.300 -0.042 0.000 0.970 494 D CA 0.925 54.897 54.000 -0.046 0.000 0.851 494 D CB -0.242 40.534 40.800 -0.039 0.000 0.943 494 D HN 0.506 nan 8.370 nan 0.000 0.488 495 M N -0.027 119.558 119.600 -0.025 0.000 2.558 495 M HA 0.006 4.486 4.480 -0.000 0.000 0.255 495 M C 0.003 176.298 176.300 -0.008 0.000 1.113 495 M CA 0.248 55.543 55.300 -0.009 0.000 1.097 495 M CB 0.588 33.197 32.600 0.013 0.000 1.426 495 M HN -0.182 nan 8.290 nan 0.000 0.488 496 I N 1.587 122.144 120.570 -0.021 0.000 2.406 496 I HA 0.006 4.176 4.170 -0.000 0.000 0.293 496 I C 0.849 176.928 176.117 -0.063 0.000 1.101 496 I CA 0.160 61.452 61.300 -0.013 0.000 1.334 496 I CB -0.227 37.765 38.000 -0.013 0.000 1.421 496 I HN 0.180 nan 8.210 nan 0.000 0.513 497 I N 5.336 125.862 120.570 -0.073 0.000 3.196 497 I HA -0.050 4.120 4.170 -0.000 0.000 0.248 497 I C 1.401 177.318 176.117 -0.333 0.000 1.105 497 I CA 1.041 62.183 61.300 -0.263 0.000 1.482 497 I CB -0.812 36.983 38.000 -0.342 0.000 1.400 497 I HN 0.380 nan 8.210 nan 0.000 0.464 498 Y N 0.928 121.302 120.300 0.123 0.000 2.462 498 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 498 Y C 0.684 176.726 175.900 0.237 0.000 1.146 498 Y CA -0.384 57.848 58.100 0.220 0.000 1.283 498 Y CB 0.164 38.765 38.460 0.236 0.000 1.090 498 Y HN 0.156 nan 8.280 nan 0.000 0.526 499 C N 1.365 120.829 119.300 0.273 0.000 3.164 499 C HA 0.306 4.766 4.460 -0.000 0.000 0.250 499 C C -0.083 174.999 174.990 0.154 0.000 1.151 499 C CA -1.640 57.515 59.018 0.228 0.000 1.449 499 C CB -0.682 27.185 27.740 0.212 0.000 1.825 499 C HN 0.214 nan 8.230 nan 0.000 0.478 500 K N 1.857 122.351 120.400 0.158 0.000 2.258 500 K HA 0.404 4.724 4.320 -0.000 0.000 0.284 500 K C 0.015 176.657 176.600 0.071 0.000 1.051 500 K CA 0.119 56.465 56.287 0.098 0.000 0.923 500 K CB 0.655 33.229 32.500 0.122 0.000 1.046 500 K HN 0.594 nan 8.250 nan 0.000 0.474 501 S N 2.898 118.612 115.700 0.024 0.000 2.516 501 S HA 0.176 4.646 4.470 -0.000 0.000 0.282 501 S C -0.083 174.480 174.600 -0.062 0.000 1.286 501 S CA -0.812 57.382 58.200 -0.009 0.000 1.066 501 S CB 0.575 63.747 63.200 -0.048 0.000 0.884 501 S HN 0.510 nan 8.310 nan 0.000 0.491 502 V N 0.713 120.599 119.914 -0.046 0.000 2.962 502 V HA 0.570 4.690 4.120 -0.000 0.000 0.313 502 V C -0.676 175.373 176.094 -0.075 0.000 1.099 502 V CA -1.139 61.114 62.300 -0.079 0.000 0.971 502 V CB 1.424 33.255 31.823 0.013 0.000 1.028 502 V HN 0.783 nan 8.190 nan 0.000 0.430 503 H N 2.241 121.318 119.070 0.013 0.000 2.582 503 H HA 0.355 4.911 4.556 -0.000 0.000 0.345 503 H C -0.340 175.003 175.328 0.024 0.000 1.104 503 H CA -0.607 55.442 56.048 0.001 0.000 1.390 503 H CB 1.207 30.958 29.762 -0.019 0.000 1.461 503 H HN 0.769 nan 8.280 nan 0.000 0.551 504 F N 3.035 122.964 119.950 -0.036 0.000 2.571 504 F HA 0.062 4.589 4.527 -0.000 0.000 0.390 504 F C 1.125 176.890 175.800 -0.059 0.000 1.043 504 F CA -0.105 57.844 58.000 -0.086 0.000 1.164 504 F CB 0.093 38.969 39.000 -0.207 0.000 1.049 504 F HN 0.610 nan 8.300 nan 0.000 0.552 505 G N 3.779 112.241 108.800 -0.564 0.000 2.607 505 G HA2 0.417 4.377 3.960 -0.000 0.000 0.215 505 G HA3 0.417 4.377 3.960 -0.000 0.000 0.215 505 G C 0.520 174.637 174.900 -1.304 0.000 1.275 505 G CA 0.600 45.305 45.100 -0.658 0.000 0.842 505 G HN 1.253 nan 8.290 nan 0.000 0.555 506 G N -1.841 106.093 108.800 -1.443 0.000 2.335 506 G HA2 0.429 4.389 3.960 -0.000 0.000 0.291 506 G HA3 0.429 4.389 3.960 -0.000 0.000 0.291 506 G C -1.805 172.720 174.900 -0.625 0.000 1.261 506 G CA -0.883 43.419 45.100 -1.331 0.000 0.871 506 G HN 0.262 nan 8.290 nan 0.000 0.491 507 F N 1.234 121.193 119.950 0.016 0.000 2.467 507 F HA 0.545 5.072 4.527 -0.000 0.000 0.336 507 F C 1.096 176.886 175.800 -0.016 0.000 1.123 507 F CA -1.000 57.008 58.000 0.014 0.000 0.964 507 F CB 2.203 41.271 39.000 0.113 0.000 1.136 507 F HN 0.395 nan 8.300 nan 0.000 0.447 508 S N -0.338 115.444 115.700 0.136 0.000 3.544 508 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 508 S C 1.296 175.949 174.600 0.089 0.000 1.387 508 S CA 0.221 58.466 58.200 0.075 0.000 1.182 508 S CB -0.351 62.872 63.200 0.039 0.000 1.243 508 S HN 0.712 nan 8.310 nan 0.000 0.467 509 S N 2.536 118.300 115.700 0.107 0.000 2.404 509 S HA 0.150 4.620 4.470 -0.000 0.000 0.223 509 S C -0.689 173.949 174.600 0.063 0.000 1.040 509 S CA 0.055 58.310 58.200 0.091 0.000 0.957 509 S CB -1.234 62.029 63.200 0.105 0.000 0.826 509 S HN 0.558 nan 8.310 nan 0.000 0.491 510 P HA 0.289 nan 4.420 nan 0.000 0.242 510 P C 0.651 177.967 177.300 0.027 0.000 1.197 510 P CA 0.635 63.756 63.100 0.035 0.000 0.765 510 P CB -0.348 31.367 31.700 0.025 0.000 0.936 511 G N -0.646 108.173 108.800 0.032 0.000 3.183 511 G HA2 0.412 4.372 3.960 -0.000 0.000 0.247 511 G HA3 0.412 4.372 3.960 -0.000 0.000 0.247 511 G C 0.468 175.389 174.900 0.036 0.000 1.211 511 G CA 0.492 45.608 45.100 0.026 0.000 0.835 511 G HN 0.077 nan 8.290 nan 0.000 0.604 512 T N -3.262 111.313 114.554 0.034 0.000 3.182 512 T HA 0.332 4.682 4.350 -0.000 0.000 0.244 512 T C 1.182 175.911 174.700 0.049 0.000 0.981 512 T CA 1.209 63.336 62.100 0.044 0.000 1.182 512 T CB -0.100 68.793 68.868 0.041 0.000 1.043 512 T HN 1.079 nan 8.240 nan 0.000 0.424 513 S N -0.115 115.608 115.700 0.037 0.000 2.532 513 S HA 0.780 5.249 4.470 -0.000 0.000 0.301 513 S C 0.358 174.965 174.600 0.011 0.000 1.083 513 S CA -0.051 58.169 58.200 0.034 0.000 1.025 513 S CB 1.513 64.733 63.200 0.033 0.000 1.056 513 S HN 0.748 nan 8.310 nan 0.000 0.494 514 G N 2.067 110.869 108.800 0.004 0.000 2.890 514 G HA2 0.337 4.297 3.960 -0.000 0.000 0.199 514 G HA3 0.337 4.297 3.960 -0.000 0.000 0.199 514 G C -0.890 173.989 174.900 -0.035 0.000 1.729 514 G CA -0.371 44.713 45.100 -0.026 0.000 0.767 514 G HN 0.688 nan 8.290 nan 0.000 0.804 515 Q N 0.637 120.423 119.800 -0.023 0.000 2.293 515 Q HA 0.598 4.938 4.340 -0.000 0.000 0.251 515 Q C 0.171 176.114 176.000 -0.095 0.000 0.930 515 Q CA -0.346 55.442 55.803 -0.025 0.000 0.893 515 Q CB 1.730 30.529 28.738 0.101 0.000 1.215 515 Q HN 0.606 nan 8.270 nan 0.000 0.425 516 A N 1.727 124.348 122.820 -0.332 0.000 2.425 516 A HA 0.133 4.453 4.320 -0.000 0.000 0.242 516 A C 0.496 177.762 177.584 -0.530 0.000 1.077 516 A CA -0.262 51.364 52.037 -0.684 0.000 0.781 516 A CB -0.079 17.872 19.000 -1.748 0.000 1.020 516 A HN 0.895 nan 8.150 nan 0.000 0.494 517 F N 0.237 120.068 119.950 -0.198 0.000 2.307 517 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 517 F C 1.216 177.066 175.800 0.084 0.000 1.076 517 F CA 1.269 59.287 58.000 0.030 0.000 1.383 517 F CB -1.189 37.889 39.000 0.130 0.000 1.055 517 F HN 0.583 nan 8.300 nan 0.000 0.526 518 Y N 0.076 120.178 120.300 -0.329 0.000 2.495 518 Y HA 0.508 5.058 4.550 -0.000 0.000 0.293 518 Y C -0.510 175.400 175.900 0.017 0.000 1.186 518 Y CA -1.544 56.527 58.100 -0.048 0.000 1.266 518 Y CB -1.406 36.889 38.460 -0.276 0.000 1.101 518 Y HN 0.157 nan 8.280 nan 0.000 0.517 519 E N 2.083 122.214 120.200 -0.115 0.000 2.176 519 E HA 0.397 4.747 4.350 -0.000 0.000 0.267 519 E C -1.269 175.418 176.600 0.145 0.000 0.893 519 E CA -0.821 55.588 56.400 0.015 0.000 0.761 519 E CB 2.154 31.797 29.700 -0.096 0.000 1.133 519 E HN 0.367 nan 8.360 nan 0.000 0.409 520 M N 2.805 122.505 119.600 0.167 0.000 2.181 520 M HA 0.556 5.036 4.480 -0.000 0.000 0.323 520 M C -1.318 175.097 176.300 0.192 0.000 1.004 520 M CA -0.442 54.984 55.300 0.210 0.000 0.941 520 M CB 1.124 33.847 32.600 0.205 0.000 1.579 520 M HN 0.631 nan 8.290 nan 0.000 0.427 521 A N 3.461 126.438 122.820 0.262 0.000 2.295 521 A HA 0.823 5.143 4.320 -0.000 0.000 0.318 521 A C -0.680 176.960 177.584 0.093 0.000 1.134 521 A CA -0.545 51.582 52.037 0.149 0.000 0.827 521 A CB 1.086 20.223 19.000 0.229 0.000 1.136 521 A HN 0.793 nan 8.150 nan 0.000 0.493 522 S N -0.332 115.291 115.700 -0.129 0.000 2.536 522 S HA 0.823 5.293 4.470 -0.000 0.000 0.298 522 S C -1.384 173.053 174.600 -0.273 0.000 1.083 522 S CA -0.158 58.081 58.200 0.064 0.000 0.995 522 S CB 0.725 64.079 63.200 0.257 0.000 1.058 522 S HN 0.447 nan 8.310 nan 0.000 0.488 523 F N 1.121 121.156 119.950 0.142 0.000 2.569 523 F HA 0.454 4.981 4.527 -0.000 0.000 0.312 523 F C 0.690 176.136 175.800 -0.590 0.000 1.109 523 F CA -0.939 57.008 58.000 -0.088 0.000 0.919 523 F CB 1.480 40.450 39.000 -0.048 0.000 1.211 523 F HN 0.555 nan 8.300 nan 0.000 0.446 524 S N 0.523 115.899 115.700 -0.541 0.000 2.608 524 S HA 0.124 4.594 4.470 -0.000 0.000 0.261 524 S C 1.242 175.532 174.600 -0.517 0.000 1.314 524 S CA -0.103 57.509 58.200 -0.979 0.000 0.992 524 S CB 1.124 64.081 63.200 -0.405 0.000 0.935 524 S HN 0.886 nan 8.310 nan 0.000 0.564 525 E N 1.237 121.090 120.200 -0.577 0.000 2.049 525 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 525 E C 1.840 178.281 176.600 -0.266 0.000 1.007 525 E CA 1.943 58.011 56.400 -0.552 0.000 0.809 525 E CB -0.528 28.784 29.700 -0.647 0.000 0.749 525 E HN 0.790 nan 8.360 nan 0.000 0.450 526 S N 0.818 116.428 115.700 -0.151 0.000 2.353 526 S HA -0.243 4.227 4.470 -0.000 0.000 0.222 526 S C 2.036 176.625 174.600 -0.019 0.000 1.035 526 S CA 1.477 59.654 58.200 -0.040 0.000 1.025 526 S CB -0.563 62.650 63.200 0.022 0.000 0.902 526 S HN 0.303 nan 8.310 nan 0.000 0.440 527 R N 1.726 122.224 120.500 -0.005 0.000 2.091 527 R HA -0.076 4.263 4.340 -0.000 0.000 0.238 527 R C 2.411 178.744 176.300 0.055 0.000 1.136 527 R CA 1.325 57.460 56.100 0.058 0.000 0.959 527 R CB -0.667 29.707 30.300 0.125 0.000 0.856 527 R HN 0.422 nan 8.270 nan 0.000 0.437 528 A N 0.949 123.786 122.820 0.028 0.000 1.877 528 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 528 A C 2.196 179.803 177.584 0.038 0.000 1.186 528 A CA 1.410 53.466 52.037 0.031 0.000 0.620 528 A CB -0.640 18.341 19.000 -0.031 0.000 0.822 528 A HN 0.362 nan 8.150 nan 0.000 0.443 529 L N -1.119 120.096 121.223 -0.015 0.000 2.012 529 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 529 L C 2.819 179.702 176.870 0.020 0.000 1.073 529 L CA 2.035 56.871 54.840 -0.007 0.000 0.748 529 L CB -0.522 41.525 42.059 -0.021 0.000 0.891 529 L HN 0.521 nan 8.230 nan 0.000 0.431 530 R N 0.662 121.176 120.500 0.023 0.000 2.097 530 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 530 R C 2.353 178.680 176.300 0.045 0.000 1.135 530 R CA 1.701 57.820 56.100 0.032 0.000 0.934 530 R CB -0.434 29.887 30.300 0.035 0.000 0.846 530 R HN 0.238 nan 8.270 nan 0.000 0.431 531 L N 0.596 121.845 121.223 0.044 0.000 2.127 531 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 531 L C 2.365 179.315 176.870 0.133 0.000 1.089 531 L CA 1.123 55.992 54.840 0.049 0.000 0.757 531 L CB -0.307 41.659 42.059 -0.156 0.000 0.899 531 L HN 0.326 nan 8.230 nan 0.000 0.434 532 L N -0.966 120.343 121.223 0.144 0.000 2.240 532 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 532 L C 2.596 179.493 176.870 0.044 0.000 1.106 532 L CA 0.438 55.347 54.840 0.115 0.000 0.793 532 L CB -0.288 41.801 42.059 0.050 0.000 0.927 532 L HN 0.272 nan 8.230 nan 0.000 0.446 533 Q N 1.092 120.914 119.800 0.036 0.000 2.083 533 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 533 Q C 1.726 177.737 176.000 0.019 0.000 0.969 533 Q CA 1.919 57.731 55.803 0.015 0.000 0.838 533 Q CB 0.061 28.808 28.738 0.014 0.000 0.900 533 Q HN 0.557 nan 8.270 nan 0.000 0.436 534 E N -0.902 119.322 120.200 0.039 0.000 2.307 534 E HA 0.161 4.510 4.350 -0.000 0.000 0.195 534 E C 0.255 176.893 176.600 0.063 0.000 0.975 534 E CA 0.704 57.129 56.400 0.042 0.000 0.878 534 E CB 0.614 30.341 29.700 0.046 0.000 0.845 534 E HN 0.141 nan 8.360 nan 0.000 0.488 535 S N 0.632 116.392 115.700 0.100 0.000 2.668 535 S HA 0.252 4.722 4.470 -0.000 0.000 0.244 535 S C 1.181 175.863 174.600 0.137 0.000 1.140 535 S CA -0.172 58.118 58.200 0.150 0.000 1.134 535 S CB 1.034 64.395 63.200 0.269 0.000 0.954 535 S HN 0.344 nan 8.310 nan 0.000 0.490 536 G N 3.511 112.349 108.800 0.064 0.000 2.553 536 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 536 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 536 G C 1.412 176.299 174.900 -0.020 0.000 1.195 536 G CA 1.191 46.295 45.100 0.006 0.000 0.779 536 G HN 0.570 nan 8.290 nan 0.000 0.577 537 N N 1.373 120.046 118.700 -0.045 0.000 2.244 537 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 537 N C 2.386 177.890 175.510 -0.010 0.000 1.016 537 N CA 1.457 54.483 53.050 -0.040 0.000 0.866 537 N CB -0.399 38.062 38.487 -0.043 0.000 0.980 537 N HN 0.297 nan 8.380 nan 0.000 0.430 538 G N 0.467 109.282 108.800 0.024 0.000 2.433 538 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 538 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 538 G C 1.314 175.976 174.900 -0.397 0.000 1.186 538 G CA 0.213 45.309 45.100 -0.005 0.000 0.779 538 G HN 0.261 nan 8.290 nan 0.000 0.543 539 F N 1.446 121.016 119.950 -0.633 0.000 2.095 539 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 539 F C 2.881 178.408 175.800 -0.454 0.000 1.104 539 F CA 0.750 58.261 58.000 -0.814 0.000 1.232 539 F CB -0.724 38.020 39.000 -0.426 0.000 0.987 539 F HN 0.013 nan 8.300 nan 0.000 0.475 540 V N 0.562 120.436 119.914 -0.067 0.000 2.255 540 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 540 V C 2.619 178.687 176.094 -0.043 0.000 1.051 540 V CA 2.289 64.545 62.300 -0.073 0.000 1.018 540 V CB -0.676 31.156 31.823 0.015 0.000 0.641 540 V HN 0.233 nan 8.190 nan 0.000 0.445 541 R N -1.135 119.354 120.500 -0.017 0.000 2.105 541 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 541 R C 2.342 178.687 176.300 0.075 0.000 1.135 541 R CA 1.858 57.974 56.100 0.026 0.000 0.967 541 R CB -0.590 29.735 30.300 0.042 0.000 0.861 541 R HN 0.756 nan 8.270 nan 0.000 0.442 542 H N 0.575 119.576 119.070 -0.115 0.000 2.293 542 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 542 H C 1.306 176.670 175.328 0.059 0.000 1.082 542 H CA 1.224 57.253 56.048 -0.032 0.000 1.308 542 H CB 0.156 29.770 29.762 -0.246 0.000 1.375 542 H HN 0.116 nan 8.280 nan 0.000 0.495 543 N N 0.728 119.414 118.700 -0.023 0.000 2.635 543 N HA -0.102 4.638 4.740 -0.000 0.000 0.191 543 N C 1.732 177.231 175.510 -0.020 0.000 1.155 543 N CA 0.473 53.460 53.050 -0.104 0.000 0.927 543 N CB 0.097 38.458 38.487 -0.211 0.000 0.976 543 N HN 0.258 nan 8.380 nan 0.000 0.448 544 V N 0.238 120.162 119.914 0.017 0.000 2.453 544 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 544 V C 1.801 177.964 176.094 0.115 0.000 1.048 544 V CA 1.889 64.170 62.300 -0.032 0.000 1.049 544 V CB -0.169 31.629 31.823 -0.040 0.000 0.672 544 V HN 0.369 nan 8.190 nan 0.000 0.457 545 S N -3.273 112.547 115.700 0.200 0.000 2.540 545 S HA 0.193 4.663 4.470 -0.000 0.000 0.222 545 S C 0.352 175.125 174.600 0.288 0.000 1.008 545 S CA -0.417 57.942 58.200 0.265 0.000 0.939 545 S CB 0.056 63.402 63.200 0.243 0.000 0.865 545 S HN 0.406 nan 8.310 nan 0.000 0.499 546 C N 2.107 121.573 119.300 0.278 0.000 2.455 546 C HA 0.603 5.063 4.460 -0.000 0.000 0.320 546 C C 0.013 175.107 174.990 0.174 0.000 1.226 546 C CA -1.059 58.132 59.018 0.288 0.000 1.569 546 C CB 0.862 28.892 27.740 0.482 0.000 2.200 546 C HN 0.530 nan 8.230 nan 0.000 0.491 547 L N 2.908 124.261 121.223 0.216 0.000 2.319 547 L HA 0.353 4.693 4.340 -0.000 0.000 0.280 547 L C 0.253 177.245 176.870 0.202 0.000 1.099 547 L CA 0.577 55.535 54.840 0.196 0.000 0.828 547 L CB 0.956 43.153 42.059 0.230 0.000 1.150 547 L HN 0.718 nan 8.230 nan 0.000 0.442 548 S N 3.719 119.525 115.700 0.177 0.000 2.482 548 S HA 0.545 5.015 4.470 -0.000 0.000 0.303 548 S C -0.522 174.256 174.600 0.298 0.000 1.091 548 S CA -0.672 57.704 58.200 0.294 0.000 1.057 548 S CB 1.878 65.215 63.200 0.229 0.000 1.031 548 S HN 0.538 nan 8.310 nan 0.000 0.485 549 R N 2.972 123.704 120.500 0.387 0.000 2.514 549 R HA 0.606 4.946 4.340 -0.000 0.000 0.301 549 R C -1.340 175.205 176.300 0.409 0.000 0.962 549 R CA -0.542 55.764 56.100 0.343 0.000 0.882 549 R CB 0.480 30.962 30.300 0.303 0.000 1.143 549 R HN 0.439 nan 8.270 nan 0.000 0.452 550 I N 4.881 125.640 120.570 0.315 0.000 2.646 550 I HA 0.423 4.593 4.170 -0.000 0.000 0.299 550 I C -0.644 175.601 176.117 0.212 0.000 1.036 550 I CA -1.064 60.349 61.300 0.187 0.000 1.074 550 I CB 1.254 39.303 38.000 0.082 0.000 1.258 550 I HN 0.709 nan 8.210 nan 0.000 0.430 551 Y N 3.152 123.472 120.300 0.035 0.000 2.581 551 Y HA 0.799 5.349 4.550 -0.000 0.000 0.345 551 Y C -3.070 172.694 175.900 -0.225 0.000 1.036 551 Y CA -3.317 54.753 58.100 -0.049 0.000 1.042 551 Y CB 0.663 39.105 38.460 -0.030 0.000 1.289 551 Y HN 0.273 nan 8.280 nan 0.000 0.471 552 P HA 0.175 nan 4.420 nan 0.000 0.268 552 P C -0.427 176.736 177.300 -0.229 0.000 1.205 552 P CA 0.179 63.169 63.100 -0.183 0.000 0.771 552 P CB 0.592 32.165 31.700 -0.211 0.000 0.858 553 A N 3.159 125.785 122.820 -0.323 0.000 2.531 553 A HA 0.302 4.622 4.320 -0.000 0.000 0.236 553 A C 1.982 179.403 177.584 -0.272 0.000 1.062 553 A CA 0.512 52.394 52.037 -0.258 0.000 0.760 553 A CB -0.767 18.107 19.000 -0.210 0.000 0.995 553 A HN 0.707 nan 8.150 nan 0.000 0.501 554 G N 1.514 110.307 108.800 -0.011 0.000 2.475 554 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.220 554 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.220 554 G C 1.184 176.121 174.900 0.062 0.000 1.125 554 G CA 1.181 46.329 45.100 0.079 0.000 0.755 554 G HN 1.045 nan 8.290 nan 0.000 0.565 555 W N 0.615 121.960 121.300 0.075 0.000 2.937 555 W HA 0.248 4.908 4.660 -0.000 0.000 0.245 555 W C 0.527 177.085 176.519 0.065 0.000 1.306 555 W CA -0.335 57.048 57.345 0.064 0.000 1.470 555 W CB -0.258 29.228 29.460 0.043 0.000 1.132 555 W HN 0.081 nan 8.180 nan 0.000 0.675 556 R N 2.420 122.553 120.500 -0.611 0.000 4.680 556 R HA 0.030 4.370 4.340 -0.000 0.000 0.222 556 R C 1.698 177.907 176.300 -0.152 0.000 1.803 556 R CA 0.616 56.379 56.100 -0.561 0.000 1.560 556 R CB -0.332 29.511 30.300 -0.761 0.000 1.412 556 R HN 0.111 nan 8.270 nan 0.000 0.815 557 T N -2.623 111.937 114.554 0.011 0.000 3.051 557 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 557 T C 1.120 175.852 174.700 0.053 0.000 1.127 557 T CA 1.036 63.181 62.100 0.075 0.000 1.107 557 T CB -0.060 68.882 68.868 0.124 0.000 0.898 557 T HN 0.341 nan 8.240 nan 0.000 0.517 558 D N 0.265 120.681 120.400 0.027 0.000 2.339 558 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 558 D C 0.749 177.037 176.300 -0.018 0.000 1.050 558 D CA 0.132 54.144 54.000 0.020 0.000 0.856 558 D CB -0.458 40.367 40.800 0.041 0.000 0.922 558 D HN 0.329 nan 8.370 nan 0.000 0.518 559 S N -1.069 114.605 115.700 -0.044 0.000 3.382 559 S HA -0.212 4.258 4.470 -0.000 0.000 0.293 559 S C 0.553 175.099 174.600 -0.089 0.000 1.262 559 S CA 0.660 58.823 58.200 -0.061 0.000 0.969 559 S CB -2.299 60.869 63.200 -0.053 0.000 1.136 559 S HN 0.781 nan 8.310 nan 0.000 0.635 560 S N 1.487 117.123 115.700 -0.106 0.000 2.587 560 S HA 0.498 4.968 4.470 -0.000 0.000 0.260 560 S C 0.002 174.513 174.600 -0.149 0.000 1.353 560 S CA -0.410 57.725 58.200 -0.107 0.000 0.995 560 S CB 0.542 63.695 63.200 -0.078 0.000 0.912 560 S HN 0.407 nan 8.310 nan 0.000 0.568 561 N N 0.206 118.821 118.700 -0.143 0.000 2.265 561 N HA 0.440 5.180 4.740 -0.000 0.000 0.300 561 N C -1.006 174.418 175.510 -0.142 0.000 1.148 561 N CA -0.495 52.429 53.050 -0.210 0.000 0.772 561 N CB 1.602 39.902 38.487 -0.312 0.000 1.434 561 N HN 0.794 nan 8.380 nan 0.000 0.481 562 Y N -0.972 119.240 120.300 -0.146 0.000 2.418 562 Y HA 0.528 5.078 4.550 -0.000 0.000 0.327 562 Y C 0.943 176.774 175.900 -0.114 0.000 1.309 562 Y CA -1.235 56.803 58.100 -0.102 0.000 1.423 562 Y CB -0.074 38.322 38.460 -0.108 0.000 1.423 562 Y HN 0.335 nan 8.280 nan 0.000 0.532 563 S N 2.018 117.750 115.700 0.053 0.000 2.499 563 S HA 0.265 4.735 4.470 -0.000 0.000 0.275 563 S C -1.768 172.740 174.600 -0.155 0.000 1.257 563 S CA -1.309 56.841 58.200 -0.084 0.000 1.050 563 S CB 0.707 63.902 63.200 -0.007 0.000 0.937 563 S HN 0.625 nan 8.310 nan 0.000 0.490 564 P HA -0.035 nan 4.420 nan 0.000 0.220 564 P C 1.678 178.383 177.300 -0.992 0.000 1.152 564 P CA 0.515 63.161 63.100 -0.756 0.000 0.812 564 P CB -0.167 30.914 31.700 -1.033 0.000 0.792 565 V N 2.677 122.173 119.914 -0.697 0.000 2.278 565 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 565 V C 2.849 178.887 176.094 -0.092 0.000 1.062 565 V CA 2.601 64.757 62.300 -0.241 0.000 1.038 565 V CB -1.577 30.251 31.823 0.008 0.000 0.646 565 V HN 0.306 nan 8.190 nan 0.000 0.447 566 E N -0.099 120.048 120.200 -0.089 0.000 2.171 566 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 566 E C 2.039 178.598 176.600 -0.069 0.000 0.997 566 E CA 1.839 58.215 56.400 -0.040 0.000 0.810 566 E CB -0.307 29.381 29.700 -0.020 0.000 0.738 566 E HN 0.511 nan 8.360 nan 0.000 0.467 567 M N -0.455 119.067 119.600 -0.130 0.000 2.334 567 M HA -0.005 4.475 4.480 -0.000 0.000 0.266 567 M C 1.798 178.072 176.300 -0.043 0.000 1.082 567 M CA 0.744 55.963 55.300 -0.135 0.000 1.141 567 M CB -0.931 31.607 32.600 -0.104 0.000 1.380 567 M HN 0.230 nan 8.290 nan 0.000 0.440 568 W N 2.063 123.339 121.300 -0.039 0.000 2.388 568 W HA -0.069 4.591 4.660 -0.000 0.000 0.294 568 W C 1.872 178.341 176.519 -0.082 0.000 1.212 568 W CA 0.673 57.974 57.345 -0.073 0.000 1.271 568 W CB -1.690 27.731 29.460 -0.064 0.000 1.126 568 W HN 0.347 nan 8.180 nan 0.000 0.535 569 N N -0.358 118.456 118.700 0.190 0.000 2.430 569 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 569 N C 1.816 177.398 175.510 0.120 0.000 1.032 569 N CA 1.587 54.738 53.050 0.168 0.000 0.893 569 N CB -0.807 37.762 38.487 0.137 0.000 0.957 569 N HN 0.176 nan 8.380 nan 0.000 0.442 570 G N -1.452 107.322 108.800 -0.043 0.000 3.233 570 G HA2 0.356 4.316 3.960 -0.000 0.000 0.234 570 G HA3 0.356 4.316 3.960 -0.000 0.000 0.234 570 G C 0.919 175.657 174.900 -0.270 0.000 1.137 570 G CA 0.209 45.188 45.100 -0.201 0.000 0.763 570 G HN 0.369 nan 8.290 nan 0.000 0.549 571 G N -0.829 107.888 108.800 -0.138 0.000 2.148 571 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 571 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 571 G C 0.486 175.287 174.900 -0.165 0.000 0.981 571 G CA 0.102 45.112 45.100 -0.151 0.000 0.670 571 G HN 0.581 nan 8.290 nan 0.000 0.528 572 C N 2.102 121.282 119.300 -0.200 0.000 2.648 572 C HA 0.399 4.859 4.460 -0.000 0.000 0.415 572 C C 1.902 176.958 174.990 0.110 0.000 1.366 572 C CA 0.302 59.226 59.018 -0.156 0.000 1.756 572 C CB 1.002 28.600 27.740 -0.236 0.000 2.549 572 C HN 0.675 nan 8.230 nan 0.000 0.597 573 Q N 3.088 122.958 119.800 0.116 0.000 2.226 573 Q HA 0.119 4.459 4.340 -0.000 0.000 0.199 573 Q C 0.564 176.725 176.000 0.269 0.000 0.945 573 Q CA 1.362 57.284 55.803 0.198 0.000 0.861 573 Q CB -0.104 28.727 28.738 0.155 0.000 0.953 573 Q HN 0.829 nan 8.270 nan 0.000 0.490 574 I N 3.231 123.946 120.570 0.242 0.000 2.234 574 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 574 I C -0.649 175.645 176.117 0.294 0.000 1.131 574 I CA -0.580 60.870 61.300 0.249 0.000 1.335 574 I CB 0.878 39.004 38.000 0.209 0.000 1.511 574 I HN -0.186 nan 8.210 nan 0.000 0.588 575 V N 4.431 124.577 119.914 0.386 0.000 2.338 575 V HA 0.287 4.407 4.120 -0.000 0.000 0.255 575 V C 0.984 177.284 176.094 0.344 0.000 1.082 575 V CA -0.462 62.068 62.300 0.384 0.000 0.951 575 V CB 0.519 32.583 31.823 0.402 0.000 1.102 575 V HN 0.654 nan 8.190 nan 0.000 0.489 576 A N 7.202 130.187 122.820 0.276 0.000 2.362 576 A HA 0.703 5.023 4.320 -0.000 0.000 0.276 576 A C -0.290 177.331 177.584 0.061 0.000 1.153 576 A CA -0.152 51.992 52.037 0.179 0.000 0.813 576 A CB 0.230 19.376 19.000 0.243 0.000 1.081 576 A HN 0.761 nan 8.150 nan 0.000 0.507 577 L N 1.875 123.041 121.223 -0.094 0.000 2.301 577 L HA 0.398 4.738 4.340 -0.000 0.000 0.264 577 L C -0.309 176.553 176.870 -0.014 0.000 1.016 577 L CA -1.138 53.564 54.840 -0.230 0.000 0.821 577 L CB 1.721 43.426 42.059 -0.590 0.000 1.346 577 L HN 0.625 nan 8.230 nan 0.000 0.429 578 N N 1.265 119.924 118.700 -0.068 0.000 2.555 578 N HA 0.095 4.835 4.740 -0.000 0.000 0.244 578 N C 0.603 176.106 175.510 -0.011 0.000 1.114 578 N CA -0.033 53.008 53.050 -0.014 0.000 0.963 578 N CB 0.518 38.976 38.487 -0.048 0.000 1.276 578 N HN 0.423 nan 8.380 nan 0.000 0.510 579 F N 1.427 121.246 119.950 -0.218 0.000 2.287 579 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 579 F C 1.969 177.675 175.800 -0.157 0.000 1.069 579 F CA 1.158 59.043 58.000 -0.192 0.000 1.372 579 F CB -0.030 38.863 39.000 -0.179 0.000 1.056 579 F HN 0.405 nan 8.300 nan 0.000 0.523 580 Q N -1.168 118.630 119.800 -0.004 0.000 2.297 580 Q HA -0.018 4.322 4.340 -0.000 0.000 0.204 580 Q C 0.660 176.615 176.000 -0.075 0.000 0.962 580 Q CA 0.825 56.599 55.803 -0.049 0.000 0.879 580 Q CB -0.984 27.712 28.738 -0.069 0.000 0.947 580 Q HN 0.093 nan 8.270 nan 0.000 0.462 581 T N 3.594 118.089 114.554 -0.098 0.000 2.728 581 T HA 0.367 4.717 4.350 -0.000 0.000 0.296 581 T C -2.465 172.150 174.700 -0.142 0.000 0.940 581 T CA -1.515 60.519 62.100 -0.111 0.000 1.013 581 T CB 0.996 69.798 68.868 -0.110 0.000 0.912 581 T HN 0.003 nan 8.240 nan 0.000 0.484 582 P HA 0.594 nan 4.420 nan 0.000 0.275 582 P C 0.197 177.388 177.300 -0.182 0.000 1.228 582 P CA 0.022 63.019 63.100 -0.172 0.000 0.786 582 P CB 0.914 32.505 31.700 -0.181 0.000 0.927 583 G N 1.667 110.346 108.800 -0.202 0.000 2.337 583 G HA2 0.174 4.134 3.960 -0.000 0.000 0.298 583 G HA3 0.174 4.134 3.960 -0.000 0.000 0.298 583 G C -2.796 172.027 174.900 -0.128 0.000 1.335 583 G CA -0.773 44.225 45.100 -0.169 0.000 0.875 583 G HN 0.094 nan 8.290 nan 0.000 0.579 584 P HA 0.005 nan 4.420 nan 0.000 0.218 584 P C 1.428 178.685 177.300 -0.072 0.000 1.148 584 P CA 1.432 64.515 63.100 -0.028 0.000 0.822 584 P CB 0.286 32.003 31.700 0.029 0.000 0.784 585 E N -1.287 118.853 120.200 -0.099 0.000 2.051 585 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 585 E C 1.989 178.512 176.600 -0.129 0.000 0.991 585 E CA 1.238 57.552 56.400 -0.143 0.000 0.799 585 E CB -0.772 28.807 29.700 -0.201 0.000 0.748 585 E HN 0.115 nan 8.360 nan 0.000 0.449 586 M N 0.778 120.282 119.600 -0.160 0.000 2.254 586 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 586 M C 1.122 177.389 176.300 -0.055 0.000 1.066 586 M CA 1.168 56.364 55.300 -0.173 0.000 1.123 586 M CB -0.616 31.820 32.600 -0.274 0.000 1.388 586 M HN 0.053 nan 8.290 nan 0.000 0.425 587 D N 0.105 120.476 120.400 -0.048 0.000 2.092 587 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 587 D C 2.200 178.521 176.300 0.035 0.000 0.994 587 D CA 1.221 55.226 54.000 0.008 0.000 0.828 587 D CB -0.294 40.521 40.800 0.024 0.000 0.963 587 D HN 0.140 nan 8.370 nan 0.000 0.450 588 V N 0.376 120.282 119.914 -0.013 0.000 2.343 588 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 588 V C 2.156 178.352 176.094 0.171 0.000 1.051 588 V CA 1.280 63.578 62.300 -0.003 0.000 1.036 588 V CB -0.590 31.135 31.823 -0.164 0.000 0.654 588 V HN 0.165 nan 8.190 nan 0.000 0.451 589 Y N 0.400 120.743 120.300 0.073 0.000 2.070 589 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 589 Y C 2.263 178.331 175.900 0.281 0.000 1.148 589 Y CA 1.886 60.137 58.100 0.251 0.000 1.125 589 Y CB -0.205 38.277 38.460 0.037 0.000 0.975 589 Y HN 0.115 nan 8.280 nan 0.000 0.492 590 L N -1.197 120.175 121.223 0.249 0.000 2.291 590 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 590 L C 2.536 179.495 176.870 0.148 0.000 1.120 590 L CA 0.882 55.833 54.840 0.186 0.000 0.799 590 L CB -1.082 41.026 42.059 0.082 0.000 0.925 590 L HN 0.366 nan 8.230 nan 0.000 0.446 591 G N -0.521 108.361 108.800 0.136 0.000 2.404 591 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 591 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 591 G C 1.836 176.817 174.900 0.135 0.000 1.174 591 G CA 0.753 45.958 45.100 0.175 0.000 0.780 591 G HN 0.457 nan 8.290 nan 0.000 0.537 592 C N 0.145 119.431 119.300 -0.023 0.000 2.413 592 C HA 0.001 4.461 4.460 -0.000 0.000 0.276 592 C C 2.449 177.176 174.990 -0.438 0.000 1.236 592 C CA 0.888 59.696 59.018 -0.349 0.000 1.735 592 C CB -1.214 26.064 27.740 -0.769 0.000 2.031 592 C HN 0.321 nan 8.230 nan 0.000 0.474 593 F N 0.841 120.733 119.950 -0.097 0.000 2.811 593 F HA 0.132 4.659 4.527 -0.000 0.000 0.301 593 F C 2.222 178.038 175.800 0.028 0.000 1.151 593 F CA 0.921 58.885 58.000 -0.062 0.000 1.412 593 F CB -0.591 38.365 39.000 -0.072 0.000 1.113 593 F HN 0.337 nan 8.300 nan 0.000 0.579 594 Q N 0.568 120.468 119.800 0.168 0.000 2.378 594 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 594 Q C 0.655 176.780 176.000 0.209 0.000 0.954 594 Q CA 0.562 56.415 55.803 0.084 0.000 0.901 594 Q CB -0.252 28.401 28.738 -0.142 0.000 0.981 594 Q HN 0.200 nan 8.270 nan 0.000 0.483 595 D N 0.117 120.700 120.400 0.305 0.000 2.371 595 D HA -0.022 4.618 4.640 -0.000 0.000 0.242 595 D C -0.098 176.334 176.300 0.220 0.000 1.218 595 D CA 0.229 54.423 54.000 0.323 0.000 0.945 595 D CB 0.411 41.272 40.800 0.103 0.000 1.137 595 D HN 0.251 nan 8.370 nan 0.000 0.464 596 N N 0.227 119.085 118.700 0.264 0.000 2.716 596 N HA -0.211 4.528 4.740 -0.000 0.000 0.250 596 N C 0.646 176.261 175.510 0.176 0.000 1.033 596 N CA 1.787 54.893 53.050 0.093 0.000 0.727 596 N CB -1.289 37.110 38.487 -0.147 0.000 0.950 596 N HN 0.706 nan 8.380 nan 0.000 0.541 597 G N -1.298 107.655 108.800 0.256 0.000 2.187 597 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.261 597 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.261 597 G C 1.337 176.338 174.900 0.167 0.000 1.000 597 G CA 1.054 46.274 45.100 0.200 0.000 0.718 597 G HN 1.810 nan 8.290 nan 0.000 0.519 598 G N -1.731 107.173 108.800 0.172 0.000 2.225 598 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.267 598 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.267 598 G C 1.868 176.882 174.900 0.189 0.000 1.024 598 G CA 1.648 46.851 45.100 0.172 0.000 0.784 598 G HN 2.283 nan 8.290 nan 0.000 0.507 599 C N -1.845 117.584 119.300 0.215 0.000 2.500 599 C HA 0.537 4.997 4.460 -0.000 0.000 0.273 599 C C 2.426 177.583 174.990 0.277 0.000 1.428 599 C CA 0.738 59.929 59.018 0.289 0.000 1.766 599 C CB -0.866 27.102 27.740 0.380 0.000 1.817 599 C HN 2.346 nan 8.230 nan 0.000 0.543 600 G N -1.233 107.679 108.800 0.188 0.000 2.175 600 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 600 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 600 G C -0.400 174.390 174.900 -0.184 0.000 0.982 600 G CA 0.370 45.448 45.100 -0.036 0.000 0.641 600 G HN 0.654 nan 8.290 nan 0.000 0.527 601 Y N -0.414 119.922 120.300 0.060 0.000 2.338 601 Y HA 0.598 5.148 4.550 -0.000 0.000 0.333 601 Y C -0.085 175.856 175.900 0.068 0.000 0.968 601 Y CA -0.925 57.180 58.100 0.010 0.000 1.123 601 Y CB 2.453 40.687 38.460 -0.377 0.000 1.165 601 Y HN 0.094 nan 8.280 nan 0.000 0.452 602 V N 5.311 125.366 119.914 0.235 0.000 2.407 602 V HA 0.242 4.362 4.120 -0.000 0.000 0.291 602 V C -0.424 175.662 176.094 -0.013 0.000 1.018 602 V CA -0.954 61.346 62.300 0.001 0.000 0.842 602 V CB 1.638 33.282 31.823 -0.299 0.000 0.996 602 V HN 0.568 nan 8.190 nan 0.000 0.426 603 L N 6.054 127.244 121.223 -0.054 0.000 2.559 603 L HA 0.136 4.476 4.340 -0.000 0.000 0.274 603 L C 0.656 177.326 176.870 -0.333 0.000 1.205 603 L CA 0.789 55.448 54.840 -0.301 0.000 0.907 603 L CB 0.019 41.896 42.059 -0.303 0.000 1.153 603 L HN 0.572 nan 8.230 nan 0.000 0.490 604 K N 5.964 126.135 120.400 -0.382 0.000 2.230 604 K HA 0.236 4.555 4.320 -0.000 0.000 0.253 604 K C -2.196 174.149 176.600 -0.425 0.000 1.008 604 K CA -1.223 54.827 56.287 -0.394 0.000 0.910 604 K CB 0.020 32.287 32.500 -0.388 0.000 0.994 604 K HN 0.470 nan 8.250 nan 0.000 0.495 605 P HA -0.062 nan 4.420 nan 0.000 0.269 605 P C -0.259 176.677 177.300 -0.606 0.000 1.215 605 P CA 0.104 62.858 63.100 -0.577 0.000 0.780 605 P CB 0.720 31.858 31.700 -0.937 0.000 0.898 606 A N 2.921 125.511 122.820 -0.383 0.000 1.892 606 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 606 A C 1.749 179.201 177.584 -0.220 0.000 1.188 606 A CA 2.112 54.006 52.037 -0.238 0.000 0.631 606 A CB -1.922 17.030 19.000 -0.080 0.000 0.822 606 A HN 0.713 nan 8.150 nan 0.000 0.447 607 F N -1.096 118.808 119.950 -0.077 0.000 2.583 607 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 607 F C 1.149 176.861 175.800 -0.146 0.000 1.131 607 F CA 0.674 58.655 58.000 -0.031 0.000 1.467 607 F CB -0.492 38.589 39.000 0.136 0.000 1.097 607 F HN 0.087 nan 8.300 nan 0.000 0.586 608 L N 0.038 120.903 121.223 -0.595 0.000 2.667 608 L HA 0.292 4.632 4.340 -0.000 0.000 0.232 608 L C 1.376 178.037 176.870 -0.347 0.000 1.138 608 L CA 0.079 54.666 54.840 -0.421 0.000 0.921 608 L CB -0.075 41.644 42.059 -0.567 0.000 1.180 608 L HN 0.101 nan 8.230 nan 0.000 0.487 609 R N -0.729 119.564 120.500 -0.344 0.000 2.543 609 R HA 0.101 4.441 4.340 -0.000 0.000 0.323 609 R C -0.372 175.778 176.300 -0.250 0.000 1.002 609 R CA -0.140 55.697 56.100 -0.439 0.000 1.106 609 R CB 0.589 30.591 30.300 -0.496 0.000 1.280 609 R HN 0.004 nan 8.270 nan 0.000 0.549 610 D N 1.179 121.513 120.400 -0.109 0.000 2.427 610 D HA 0.167 4.807 4.640 -0.000 0.000 0.226 610 D C -1.773 174.538 176.300 0.017 0.000 1.076 610 D CA -2.600 51.393 54.000 -0.011 0.000 0.849 610 D CB 1.782 42.621 40.800 0.065 0.000 1.052 610 D HN -0.163 nan 8.370 nan 0.000 0.515 611 P HA -0.105 nan 4.420 nan 0.000 0.220 611 P C 0.102 177.440 177.300 0.064 0.000 1.144 611 P CA 0.857 63.985 63.100 0.047 0.000 0.800 611 P CB 0.233 31.970 31.700 0.061 0.000 0.772 612 N N -1.555 117.188 118.700 0.071 0.000 2.273 612 N HA 0.066 4.806 4.740 -0.000 0.000 0.231 612 N C -0.031 175.546 175.510 0.110 0.000 1.134 612 N CA 0.205 53.305 53.050 0.083 0.000 0.856 612 N CB -0.291 38.241 38.487 0.076 0.000 1.068 612 N HN 0.096 nan 8.380 nan 0.000 0.510 613 T N 0.264 114.893 114.554 0.124 0.000 2.898 613 T HA 0.082 4.432 4.350 -0.000 0.000 0.301 613 T C 1.559 176.348 174.700 0.149 0.000 1.049 613 T CA 0.189 62.400 62.100 0.185 0.000 1.095 613 T CB 1.271 70.263 68.868 0.206 0.000 0.976 613 T HN 0.251 nan 8.240 nan 0.000 0.539 614 T N -0.019 114.651 114.554 0.193 0.000 3.129 614 T HA 0.250 4.600 4.350 -0.000 0.000 0.267 614 T C 0.136 174.809 174.700 -0.046 0.000 1.018 614 T CA -0.694 61.479 62.100 0.122 0.000 0.903 614 T CB -0.542 68.454 68.868 0.212 0.000 1.067 614 T HN 0.402 nan 8.240 nan 0.000 0.549 615 F N 2.962 122.664 119.950 -0.413 0.000 2.471 615 F HA 0.558 5.085 4.527 -0.000 0.000 0.353 615 F C 0.097 175.626 175.800 -0.453 0.000 1.113 615 F CA -0.524 56.950 58.000 -0.876 0.000 1.262 615 F CB 0.592 38.987 39.000 -1.008 0.000 1.146 615 F HN 0.223 nan 8.300 nan 0.000 0.578 616 N N 2.967 120.754 118.700 -1.523 0.000 2.812 616 N HA -0.010 4.730 4.740 -0.000 0.000 0.262 616 N C 0.229 175.004 175.510 -1.225 0.000 1.241 616 N CA 0.414 52.829 53.050 -1.058 0.000 0.854 616 N CB 1.299 39.497 38.487 -0.482 0.000 1.506 616 N HN 0.685 nan 8.380 nan 0.000 0.576 617 S N 2.878 117.792 115.700 -1.311 0.000 2.462 617 S HA -0.129 4.341 4.470 -0.000 0.000 0.243 617 S C 1.426 175.844 174.600 -0.304 0.000 1.003 617 S CA 0.822 58.652 58.200 -0.617 0.000 0.970 617 S CB 0.013 63.143 63.200 -0.117 0.000 0.762 617 S HN 0.531 nan 8.310 nan 0.000 0.510 618 R N 1.230 121.553 120.500 -0.296 0.000 2.100 618 R HA 0.296 4.636 4.340 -0.000 0.000 0.220 618 R C 0.884 177.099 176.300 -0.141 0.000 1.091 618 R CA 1.067 57.070 56.100 -0.161 0.000 0.986 618 R CB -0.621 29.602 30.300 -0.129 0.000 0.888 618 R HN 0.483 nan 8.270 nan 0.000 0.444 619 A N 1.864 124.565 122.820 -0.199 0.000 2.664 619 A HA 0.414 4.734 4.320 -0.000 0.000 0.338 619 A C -0.301 177.188 177.584 -0.159 0.000 1.280 619 A CA -0.517 51.436 52.037 -0.140 0.000 0.809 619 A CB 0.155 19.083 19.000 -0.121 0.000 1.114 619 A HN 0.092 nan 8.150 nan 0.000 0.479 620 L N 2.776 123.948 121.223 -0.084 0.000 2.361 620 L HA 0.342 4.682 4.340 -0.000 0.000 0.278 620 L C 1.129 178.030 176.870 0.053 0.000 1.113 620 L CA 0.032 54.887 54.840 0.025 0.000 0.849 620 L CB 0.840 43.019 42.059 0.200 0.000 1.155 620 L HN 0.806 nan 8.230 nan 0.000 0.452 621 T N -0.160 114.507 114.554 0.188 0.000 2.841 621 T HA 0.391 4.741 4.350 -0.000 0.000 0.276 621 T C -0.349 174.428 174.700 0.128 0.000 1.003 621 T CA -0.899 61.259 62.100 0.097 0.000 0.995 621 T CB 1.606 70.553 68.868 0.133 0.000 1.260 621 T HN 0.402 nan 8.240 nan 0.000 0.581 622 Q N -0.297 119.431 119.800 -0.121 0.000 2.327 622 Q HA 0.578 4.918 4.340 -0.000 0.000 0.254 622 Q C -0.068 175.656 176.000 -0.460 0.000 0.952 622 Q CA 0.703 56.312 55.803 -0.325 0.000 0.884 622 Q CB 0.267 28.813 28.738 -0.320 0.000 1.224 622 Q HN 1.237 nan 8.270 nan 0.000 0.422 623 G N 2.901 111.099 108.800 -1.003 0.000 2.368 623 G HA2 0.256 4.216 3.960 -0.000 0.000 0.293 623 G HA3 0.256 4.216 3.960 -0.000 0.000 0.293 623 G C -2.537 171.511 174.900 -1.420 0.000 1.467 623 G CA -0.611 43.479 45.100 -1.684 0.000 0.804 623 G HN 0.446 nan 8.290 nan 0.000 0.535 624 P HA -0.133 nan 4.420 nan 0.000 0.217 624 P C 1.548 178.641 177.300 -0.344 0.000 1.148 624 P CA 2.154 65.019 63.100 -0.390 0.000 0.834 624 P CB -0.131 31.512 31.700 -0.095 0.000 0.783 625 W N -1.787 119.285 121.300 -0.380 0.000 2.425 625 W HA 0.010 4.670 4.660 -0.000 0.000 0.277 625 W C 0.959 177.346 176.519 -0.219 0.000 1.231 625 W CA -0.535 56.422 57.345 -0.646 0.000 1.248 625 W CB -1.624 26.921 29.460 -1.525 0.000 1.117 625 W HN -0.095 nan 8.180 nan 0.000 0.568 626 W N 4.420 125.391 121.300 -0.547 0.000 2.481 626 W HA 0.370 5.030 4.660 -0.000 0.000 0.320 626 W C -0.496 175.906 176.519 -0.193 0.000 1.209 626 W CA -0.513 56.688 57.345 -0.240 0.000 1.400 626 W CB 0.255 29.522 29.460 -0.321 0.000 1.361 626 W HN -0.031 nan 8.180 nan 0.000 0.456 627 R N 6.028 126.099 120.500 -0.715 0.000 2.924 627 R HA 0.171 4.511 4.340 -0.000 0.000 0.233 627 R C -2.675 173.315 176.300 -0.517 0.000 1.685 627 R CA -1.583 54.234 56.100 -0.472 0.000 1.462 627 R CB 0.870 31.025 30.300 -0.240 0.000 1.542 627 R HN 0.157 nan 8.270 nan 0.000 0.667 628 P HA -0.078 nan 4.420 nan 0.000 0.265 628 P C -0.398 176.759 177.300 -0.239 0.000 1.187 628 P CA 0.691 63.508 63.100 -0.472 0.000 0.766 628 P CB 0.700 32.180 31.700 -0.367 0.000 0.820 629 E N 1.982 122.069 120.200 -0.187 0.000 2.367 629 E HA 0.368 4.718 4.350 -0.000 0.000 0.273 629 E C -0.643 175.991 176.600 0.057 0.000 0.903 629 E CA -0.964 55.428 56.400 -0.014 0.000 0.764 629 E CB 2.564 32.333 29.700 0.116 0.000 1.252 629 E HN 0.342 nan 8.360 nan 0.000 0.446 630 R N 2.162 122.728 120.500 0.110 0.000 2.288 630 R HA 0.348 4.688 4.340 -0.000 0.000 0.326 630 R C -1.182 175.221 176.300 0.171 0.000 0.959 630 R CA -0.670 55.499 56.100 0.115 0.000 0.834 630 R CB 0.510 30.843 30.300 0.055 0.000 1.157 630 R HN 0.375 nan 8.270 nan 0.000 0.470 631 L N 4.604 125.980 121.223 0.256 0.000 2.295 631 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 631 L C -0.816 176.161 176.870 0.179 0.000 1.035 631 L CA -0.148 54.834 54.840 0.236 0.000 0.806 631 L CB 1.151 43.427 42.059 0.361 0.000 1.214 631 L HN 0.571 nan 8.230 nan 0.000 0.426 632 R N 4.984 125.528 120.500 0.073 0.000 2.409 632 R HA 0.600 4.940 4.340 -0.000 0.000 0.313 632 R C -1.550 174.757 176.300 0.011 0.000 0.953 632 R CA -0.762 55.356 56.100 0.030 0.000 0.849 632 R CB 1.882 32.163 30.300 -0.032 0.000 1.171 632 R HN 0.482 nan 8.270 nan 0.000 0.458 633 V N 3.601 123.555 119.914 0.067 0.000 2.448 633 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 633 V C 0.154 176.221 176.094 -0.044 0.000 1.025 633 V CA -0.871 61.459 62.300 0.050 0.000 0.859 633 V CB 2.051 33.976 31.823 0.170 0.000 0.988 633 V HN 0.587 nan 8.190 nan 0.000 0.431 634 R N 4.682 125.124 120.500 -0.096 0.000 2.343 634 R HA 0.503 4.843 4.340 -0.000 0.000 0.320 634 R C -1.137 175.104 176.300 -0.100 0.000 0.956 634 R CA -0.765 55.245 56.100 -0.150 0.000 0.836 634 R CB 1.031 31.249 30.300 -0.137 0.000 1.151 634 R HN 0.554 nan 8.270 nan 0.000 0.450 635 I N 7.542 128.042 120.570 -0.117 0.000 2.294 635 I HA 0.047 4.217 4.170 -0.000 0.000 0.295 635 I C 1.320 177.486 176.117 0.082 0.000 1.098 635 I CA 0.056 61.350 61.300 -0.011 0.000 1.277 635 I CB 0.453 38.409 38.000 -0.074 0.000 1.434 635 I HN 0.772 nan 8.210 nan 0.000 0.498 636 I N 3.825 124.458 120.570 0.105 0.000 2.185 636 I HA -0.099 4.071 4.170 -0.000 0.000 0.235 636 I C 1.059 177.368 176.117 0.320 0.000 1.069 636 I CA 0.912 62.325 61.300 0.188 0.000 1.354 636 I CB 0.072 38.183 38.000 0.184 0.000 1.093 636 I HN 0.684 nan 8.210 nan 0.000 0.411 637 S N -0.811 115.112 115.700 0.372 0.000 2.625 637 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 637 S C -0.565 174.267 174.600 0.387 0.000 1.161 637 S CA -0.528 57.877 58.200 0.342 0.000 0.820 637 S CB 1.692 65.000 63.200 0.179 0.000 1.137 637 S HN 0.257 nan 8.310 nan 0.000 0.470 638 G N -0.141 108.834 108.800 0.291 0.000 2.524 638 G HA2 0.626 4.585 3.960 -0.000 0.000 0.310 638 G HA3 0.626 4.585 3.960 -0.000 0.000 0.310 638 G C -1.872 173.032 174.900 0.007 0.000 1.279 638 G CA -0.739 44.509 45.100 0.246 0.000 0.974 638 G HN 0.561 nan 8.290 nan 0.000 0.484 639 Q N 0.462 120.236 119.800 -0.043 0.000 2.330 639 Q HA 0.442 4.782 4.340 -0.000 0.000 0.269 639 Q C -0.262 175.645 176.000 -0.156 0.000 1.022 639 Q CA -0.550 55.135 55.803 -0.197 0.000 0.796 639 Q CB 2.040 30.663 28.738 -0.192 0.000 1.271 639 Q HN 0.680 nan 8.270 nan 0.000 0.450 640 Q N 1.520 121.206 119.800 -0.189 0.000 2.423 640 Q HA -0.222 4.118 4.340 -0.000 0.000 0.332 640 Q C -0.796 175.177 176.000 -0.044 0.000 1.355 640 Q CA 0.209 55.986 55.803 -0.043 0.000 0.947 640 Q CB -1.524 27.210 28.738 -0.007 0.000 1.189 640 Q HN 0.585 nan 8.270 nan 0.000 0.418 641 L N 1.909 123.112 121.223 -0.033 0.000 2.499 641 L HA 0.178 4.518 4.340 -0.000 0.000 0.273 641 L C -1.206 175.616 176.870 -0.080 0.000 1.195 641 L CA -1.532 53.274 54.840 -0.056 0.000 0.882 641 L CB -0.410 41.654 42.059 0.009 0.000 1.133 641 L HN 0.080 nan 8.230 nan 0.000 0.483 642 P HA 0.001 nan 4.420 nan 0.000 0.268 642 P C -0.702 176.560 177.300 -0.064 0.000 1.205 642 P CA -0.462 62.531 63.100 -0.178 0.000 0.771 642 P CB 0.691 32.117 31.700 -0.456 0.000 0.858 643 K N 3.288 123.682 120.400 -0.010 0.000 2.315 643 K HA 0.140 4.460 4.320 -0.000 0.000 0.291 643 K C -0.632 175.992 176.600 0.040 0.000 1.074 643 K CA -0.486 55.813 56.287 0.020 0.000 0.936 643 K CB -0.880 31.636 32.500 0.027 0.000 1.049 643 K HN 0.154 nan 8.250 nan 0.000 0.471 644 V N 7.508 127.451 119.914 0.047 0.000 2.242 644 V HA -0.027 4.093 4.120 -0.000 0.000 0.242 644 V C 0.727 176.862 176.094 0.069 0.000 1.240 644 V CA 0.574 62.920 62.300 0.077 0.000 1.211 644 V CB -1.741 30.149 31.823 0.111 0.000 1.338 644 V HN 1.070 nan 8.190 nan 0.000 0.499 645 N N 3.203 121.942 118.700 0.065 0.000 2.394 645 N HA -0.409 4.331 4.740 -0.000 0.000 0.164 645 N C 1.056 176.591 175.510 0.041 0.000 0.420 645 N CA 1.191 54.272 53.050 0.052 0.000 1.547 645 N CB -0.587 37.932 38.487 0.053 0.000 1.343 645 N HN 0.453 nan 8.380 nan 0.000 0.403 646 K N -0.123 120.300 120.400 0.038 0.000 3.587 646 K HA -0.193 4.127 4.320 -0.000 0.000 0.294 646 K C -0.053 176.561 176.600 0.024 0.000 1.279 646 K CA 1.449 57.755 56.287 0.030 0.000 1.004 646 K CB -1.903 30.615 32.500 0.029 0.000 1.276 646 K HN 0.669 nan 8.250 nan 0.000 0.459 647 N N 0.147 118.862 118.700 0.026 0.000 2.678 647 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 647 N C -0.467 175.054 175.510 0.018 0.000 1.119 647 N CA 2.301 55.363 53.050 0.021 0.000 0.718 647 N CB -0.383 38.116 38.487 0.019 0.000 1.060 647 N HN 0.820 nan 8.380 nan 0.000 0.552 648 K N -2.963 117.448 120.400 0.018 0.000 2.672 648 K HA 0.310 4.630 4.320 -0.000 0.000 0.295 648 K C -1.365 175.244 176.600 0.016 0.000 1.042 648 K CA -0.909 55.387 56.287 0.015 0.000 0.869 648 K CB 0.148 32.657 32.500 0.014 0.000 1.541 648 K HN -0.108 nan 8.250 nan 0.000 0.396 649 N N 0.978 119.686 118.700 0.012 0.000 2.868 649 N HA 0.190 4.930 4.740 -0.000 0.000 0.252 649 N C -1.476 174.041 175.510 0.012 0.000 1.130 649 N CA 0.122 53.178 53.050 0.011 0.000 1.026 649 N CB 0.611 39.101 38.487 0.006 0.000 1.335 649 N HN 0.606 nan 8.380 nan 0.000 0.516 650 S N 1.904 117.614 115.700 0.016 0.000 2.715 650 S HA 0.718 5.188 4.470 -0.000 0.000 0.307 650 S C -0.588 174.024 174.600 0.021 0.000 1.119 650 S CA -0.709 57.502 58.200 0.019 0.000 0.937 650 S CB 0.688 63.901 63.200 0.023 0.000 1.150 650 S HN 0.272 nan 8.310 nan 0.000 0.521 651 I N 2.264 122.849 120.570 0.025 0.000 2.474 651 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 651 I C -0.333 175.809 176.117 0.042 0.000 1.005 651 I CA -1.090 60.227 61.300 0.028 0.000 1.113 651 I CB 1.886 39.899 38.000 0.022 0.000 1.289 651 I HN 0.378 nan 8.210 nan 0.000 0.436 652 V N 2.991 122.933 119.914 0.048 0.000 2.872 652 V HA 0.036 4.156 4.120 -0.000 0.000 0.307 652 V C -0.207 175.936 176.094 0.082 0.000 1.072 652 V CA -0.139 62.201 62.300 0.066 0.000 1.148 652 V CB 0.039 31.901 31.823 0.065 0.000 0.954 652 V HN 0.680 nan 8.190 nan 0.000 0.490 653 D N 3.940 124.411 120.400 0.119 0.000 2.456 653 D HA 0.299 4.938 4.640 -0.000 0.000 0.287 653 D C -2.640 173.788 176.300 0.212 0.000 1.186 653 D CA -0.972 53.118 54.000 0.151 0.000 0.916 653 D CB 1.341 42.253 40.800 0.187 0.000 1.029 653 D HN 0.430 nan 8.370 nan 0.000 0.498 654 P HA 0.150 nan 4.420 nan 0.000 0.275 654 P C -0.284 177.333 177.300 0.529 0.000 1.228 654 P CA -0.314 62.996 63.100 0.349 0.000 0.786 654 P CB 1.516 33.469 31.700 0.423 0.000 0.927 655 K N 0.283 120.878 120.400 0.324 0.000 2.509 655 K HA 0.692 5.012 4.320 -0.000 0.000 0.266 655 K C -1.578 174.915 176.600 -0.178 0.000 0.987 655 K CA -1.124 55.245 56.287 0.137 0.000 0.868 655 K CB 1.557 34.131 32.500 0.123 0.000 1.421 655 K HN 0.107 nan 8.250 nan 0.000 0.444 656 V N 2.169 121.823 119.914 -0.432 0.000 2.604 656 V HA 0.477 4.597 4.120 -0.000 0.000 0.305 656 V C -0.472 175.512 176.094 -0.183 0.000 1.043 656 V CA -0.925 61.164 62.300 -0.352 0.000 0.888 656 V CB 1.602 33.098 31.823 -0.545 0.000 0.995 656 V HN 0.650 nan 8.190 nan 0.000 0.429 657 I N 4.116 124.608 120.570 -0.130 0.000 2.474 657 I HA 0.588 4.758 4.170 -0.000 0.000 0.294 657 I C -0.573 175.435 176.117 -0.181 0.000 1.005 657 I CA -0.738 60.476 61.300 -0.144 0.000 1.113 657 I CB 1.992 39.944 38.000 -0.079 0.000 1.289 657 I HN 0.256 nan 8.210 nan 0.000 0.436 658 V N 5.523 125.272 119.914 -0.276 0.000 2.540 658 V HA 0.430 4.550 4.120 -0.000 0.000 0.302 658 V C -0.312 175.575 176.094 -0.347 0.000 1.035 658 V CA -0.600 61.489 62.300 -0.351 0.000 0.873 658 V CB 2.262 33.911 31.823 -0.290 0.000 0.992 658 V HN 0.748 nan 8.190 nan 0.000 0.428 659 E N 4.316 124.302 120.200 -0.357 0.000 2.312 659 E HA 0.618 4.968 4.350 -0.000 0.000 0.267 659 E C -1.466 174.878 176.600 -0.427 0.000 0.894 659 E CA -0.880 55.301 56.400 -0.365 0.000 0.773 659 E CB 2.720 32.292 29.700 -0.213 0.000 1.241 659 E HN 0.357 nan 8.360 nan 0.000 0.432 660 I N 2.430 122.699 120.570 -0.501 0.000 2.378 660 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 660 I C -0.346 175.584 176.117 -0.312 0.000 0.992 660 I CA -0.486 60.608 61.300 -0.344 0.000 1.154 660 I CB 0.913 38.694 38.000 -0.364 0.000 1.315 660 I HN 0.475 nan 8.210 nan 0.000 0.448 661 H N 3.972 123.010 119.070 -0.052 0.000 2.495 661 H HA 0.757 5.313 4.556 -0.000 0.000 0.348 661 H C 0.297 175.637 175.328 0.019 0.000 1.113 661 H CA -0.452 55.592 56.048 -0.008 0.000 1.195 661 H CB 2.696 32.472 29.762 0.023 0.000 1.521 661 H HN 0.870 nan 8.280 nan 0.000 0.509 662 G N 0.847 109.716 108.800 0.115 0.000 2.452 662 G HA2 0.149 4.109 3.960 -0.000 0.000 0.224 662 G HA3 0.149 4.109 3.960 -0.000 0.000 0.224 662 G C -0.548 174.395 174.900 0.071 0.000 1.208 662 G CA -0.223 44.933 45.100 0.093 0.000 0.946 662 G HN 0.567 nan 8.290 nan 0.000 0.481 663 V N 0.736 120.690 119.914 0.067 0.000 2.901 663 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 663 V C 1.831 177.944 176.094 0.031 0.000 1.084 663 V CA 1.349 63.689 62.300 0.066 0.000 1.184 663 V CB 0.569 32.448 31.823 0.094 0.000 0.941 663 V HN 2.006 nan 8.190 nan 0.000 0.493 664 G N 2.841 111.653 108.800 0.020 0.000 2.469 664 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 664 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 664 G C 1.500 176.405 174.900 0.008 0.000 1.136 664 G CA 1.028 46.132 45.100 0.007 0.000 0.759 664 G HN 0.992 nan 8.290 nan 0.000 0.562 665 R N 0.326 120.839 120.500 0.022 0.000 2.127 665 R HA -0.093 4.246 4.340 -0.000 0.000 0.238 665 R C 1.462 177.772 176.300 0.017 0.000 1.134 665 R CA 1.781 57.901 56.100 0.033 0.000 0.975 665 R CB -0.173 30.170 30.300 0.072 0.000 0.865 665 R HN 0.232 nan 8.270 nan 0.000 0.447 666 D N 0.242 120.641 120.400 -0.003 0.000 2.305 666 D HA -0.048 4.592 4.640 -0.000 0.000 0.206 666 D C 0.381 176.659 176.300 -0.037 0.000 0.974 666 D CA 0.829 54.813 54.000 -0.028 0.000 0.871 666 D CB -0.047 40.711 40.800 -0.069 0.000 0.947 666 D HN 0.337 nan 8.370 nan 0.000 0.516 667 T N -0.629 113.898 114.554 -0.045 0.000 2.908 667 T HA 0.426 4.775 4.350 -0.000 0.000 0.301 667 T C 0.485 175.137 174.700 -0.080 0.000 1.019 667 T CA -0.184 61.858 62.100 -0.096 0.000 1.152 667 T CB 1.349 70.156 68.868 -0.101 0.000 0.966 667 T HN 0.077 nan 8.240 nan 0.000 0.540 668 G N 0.748 109.471 108.800 -0.129 0.000 2.677 668 G HA2 0.591 4.551 3.960 -0.000 0.000 0.291 668 G HA3 0.591 4.551 3.960 -0.000 0.000 0.291 668 G C -1.294 173.537 174.900 -0.115 0.000 1.435 668 G CA -0.508 44.570 45.100 -0.037 0.000 0.826 668 G HN 1.104 nan 8.290 nan 0.000 0.491 669 S N -0.593 115.089 115.700 -0.029 0.000 2.537 669 S HA 0.853 5.323 4.470 -0.000 0.000 0.270 669 S C -1.208 173.343 174.600 -0.082 0.000 1.142 669 S CA -0.822 57.320 58.200 -0.097 0.000 0.870 669 S CB 1.676 64.804 63.200 -0.119 0.000 1.112 669 S HN 0.745 nan 8.310 nan 0.000 0.466 670 R N 1.815 122.173 120.500 -0.236 0.000 2.707 670 R HA 0.479 4.819 4.340 -0.000 0.000 0.272 670 R C -1.370 174.567 176.300 -0.605 0.000 1.011 670 R CA -0.721 55.073 56.100 -0.509 0.000 0.893 670 R CB 1.901 31.582 30.300 -1.032 0.000 1.233 670 R HN 0.911 nan 8.270 nan 0.000 0.464 671 Q N -0.461 119.075 119.800 -0.440 0.000 2.421 671 Q HA 0.530 4.870 4.340 -0.000 0.000 0.280 671 Q C -0.619 175.422 176.000 0.068 0.000 1.085 671 Q CA -0.859 54.824 55.803 -0.200 0.000 0.807 671 Q CB 2.255 30.938 28.738 -0.093 0.000 1.405 671 Q HN 0.644 nan 8.270 nan 0.000 0.419 672 T N -1.183 113.442 114.554 0.119 0.000 2.810 672 T HA 0.755 5.105 4.350 -0.000 0.000 0.277 672 T C 0.495 175.260 174.700 0.109 0.000 0.973 672 T CA -0.092 62.095 62.100 0.145 0.000 0.949 672 T CB 0.927 69.675 68.868 -0.200 0.000 1.075 672 T HN 0.804 nan 8.240 nan 0.000 0.537 673 A N 0.259 123.202 122.820 0.204 0.000 2.280 673 A HA 0.610 4.930 4.320 -0.000 0.000 0.268 673 A C 0.045 177.808 177.584 0.298 0.000 1.111 673 A CA -0.757 51.393 52.037 0.187 0.000 0.814 673 A CB -0.005 19.104 19.000 0.182 0.000 1.093 673 A HN 0.822 nan 8.150 nan 0.000 0.498 674 V N 1.324 121.329 119.914 0.153 0.000 2.427 674 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 674 V C -0.393 175.777 176.094 0.126 0.000 1.034 674 V CA -0.494 61.909 62.300 0.171 0.000 0.893 674 V CB 1.235 33.019 31.823 -0.065 0.000 0.982 674 V HN 0.567 nan 8.190 nan 0.000 0.452 675 I N 4.000 124.639 120.570 0.115 0.000 2.321 675 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 675 I C 0.690 176.800 176.117 -0.013 0.000 0.998 675 I CA -0.062 61.185 61.300 -0.087 0.000 1.227 675 I CB 1.471 39.249 38.000 -0.370 0.000 1.368 675 I HN 0.769 nan 8.210 nan 0.000 0.466 676 T N 3.220 117.766 114.554 -0.014 0.000 2.856 676 T HA 0.267 4.616 4.350 -0.000 0.000 0.292 676 T C 0.534 175.238 174.700 0.008 0.000 0.980 676 T CA -0.294 61.819 62.100 0.022 0.000 1.091 676 T CB 0.308 69.196 68.868 0.033 0.000 0.936 676 T HN 0.537 nan 8.240 nan 0.000 0.503 677 N N 1.575 120.292 118.700 0.029 0.000 2.725 677 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 677 N C -1.096 174.416 175.510 0.004 0.000 1.031 677 N CA 0.964 54.026 53.050 0.019 0.000 0.720 677 N CB -1.455 37.039 38.487 0.012 0.000 0.930 677 N HN 0.872 nan 8.380 nan 0.000 0.543 678 N N -1.141 117.559 118.700 0.001 0.000 2.578 678 N HA 0.528 5.268 4.740 -0.000 0.000 0.282 678 N C 0.524 176.034 175.510 0.000 0.000 1.119 678 N CA 0.215 53.259 53.050 -0.009 0.000 0.948 678 N CB 1.050 39.498 38.487 -0.065 0.000 1.546 678 N HN 0.107 nan 8.380 nan 0.000 0.525 679 G N 1.194 110.021 108.800 0.045 0.000 2.945 679 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.225 679 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.225 679 G C 0.689 175.626 174.900 0.063 0.000 1.046 679 G CA -0.092 45.039 45.100 0.051 0.000 0.842 679 G HN 0.470 nan 8.290 nan 0.000 0.543 680 F N 2.995 122.912 119.950 -0.056 0.000 2.259 680 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 680 F C 0.922 176.684 175.800 -0.064 0.000 1.088 680 F CA 1.336 59.300 58.000 -0.061 0.000 1.358 680 F CB 0.489 39.443 39.000 -0.078 0.000 1.040 680 F HN 0.285 nan 8.300 nan 0.000 0.505 681 N N -1.556 117.028 118.700 -0.195 0.000 2.600 681 N HA 0.124 4.864 4.740 -0.000 0.000 0.246 681 N C -3.289 172.087 175.510 -0.225 0.000 1.454 681 N CA -1.271 51.598 53.050 -0.302 0.000 1.120 681 N CB -1.124 37.123 38.487 -0.400 0.000 1.478 681 N HN 0.003 nan 8.380 nan 0.000 0.541 682 P HA 0.085 nan 4.420 nan 0.000 0.268 682 P C -0.483 176.459 177.300 -0.597 0.000 1.208 682 P CA 0.139 62.905 63.100 -0.557 0.000 0.777 682 P CB 0.974 32.137 31.700 -0.896 0.000 0.875 683 R N 2.151 122.287 120.500 -0.607 0.000 2.532 683 R HA 0.345 4.685 4.340 -0.000 0.000 0.297 683 R C 0.116 176.213 176.300 -0.338 0.000 0.984 683 R CA -0.537 55.378 56.100 -0.308 0.000 0.884 683 R CB 0.890 31.105 30.300 -0.142 0.000 1.182 683 R HN 0.501 nan 8.270 nan 0.000 0.442 684 W N 1.581 122.888 121.300 0.012 0.000 2.952 684 W HA 0.165 4.825 4.660 -0.000 0.000 0.251 684 W C -0.169 176.334 176.519 -0.026 0.000 1.144 684 W CA 0.090 57.432 57.345 -0.004 0.000 1.551 684 W CB 0.433 29.894 29.460 0.001 0.000 0.978 684 W HN 0.615 nan 8.180 nan 0.000 0.648 685 D N 1.051 121.594 120.400 0.238 0.000 2.697 685 D HA -0.202 4.438 4.640 -0.000 0.000 0.238 685 D C -0.429 175.883 176.300 0.019 0.000 1.152 685 D CA 1.111 55.171 54.000 0.100 0.000 0.666 685 D CB -1.117 39.725 40.800 0.071 0.000 1.037 685 D HN 0.053 nan 8.370 nan 0.000 0.423 686 M N 0.885 120.454 119.600 -0.051 0.000 2.456 686 M HA 0.421 4.901 4.480 -0.000 0.000 0.324 686 M C -0.688 175.302 176.300 -0.517 0.000 1.124 686 M CA -0.374 54.771 55.300 -0.257 0.000 0.959 686 M CB 1.984 34.422 32.600 -0.271 0.000 1.692 686 M HN 0.050 nan 8.290 nan 0.000 0.444 687 E N 2.920 122.789 120.200 -0.553 0.000 2.256 687 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 687 E C -1.892 174.331 176.600 -0.628 0.000 0.892 687 E CA -0.577 55.500 56.400 -0.538 0.000 0.775 687 E CB 1.234 30.785 29.700 -0.249 0.000 1.207 687 E HN 0.614 nan 8.360 nan 0.000 0.420 688 F N 1.107 120.985 119.950 -0.120 0.000 2.593 688 F HA 0.461 4.988 4.527 -0.000 0.000 0.320 688 F C -0.135 175.461 175.800 -0.340 0.000 1.060 688 F CA -0.909 56.927 58.000 -0.274 0.000 0.940 688 F CB 2.025 40.861 39.000 -0.274 0.000 1.268 688 F HN 0.462 nan 8.300 nan 0.000 0.475 689 E N 1.095 121.069 120.200 -0.377 0.000 2.314 689 E HA 0.683 5.033 4.350 -0.000 0.000 0.272 689 E C -2.087 174.159 176.600 -0.589 0.000 0.884 689 E CA -0.454 55.768 56.400 -0.297 0.000 0.753 689 E CB 1.681 31.296 29.700 -0.142 0.000 1.213 689 E HN 0.417 nan 8.360 nan 0.000 0.432 690 F N 1.125 121.107 119.950 0.053 0.000 2.599 690 F HA 0.401 4.928 4.527 -0.000 0.000 0.311 690 F C -0.025 175.795 175.800 0.034 0.000 1.076 690 F CA -0.886 57.135 58.000 0.035 0.000 0.937 690 F CB 2.111 41.137 39.000 0.043 0.000 1.282 690 F HN 0.300 nan 8.300 nan 0.000 0.460 691 E N 1.642 121.949 120.200 0.179 0.000 2.171 691 E HA 0.610 4.960 4.350 -0.000 0.000 0.271 691 E C -1.679 174.924 176.600 0.005 0.000 0.916 691 E CA -0.506 55.934 56.400 0.067 0.000 0.774 691 E CB 2.239 31.953 29.700 0.023 0.000 1.128 691 E HN 0.426 nan 8.360 nan 0.000 0.403 692 V N 3.620 123.467 119.914 -0.112 0.000 2.443 692 V HA 0.118 4.238 4.120 -0.000 0.000 0.293 692 V C 1.094 176.943 176.094 -0.408 0.000 1.021 692 V CA -0.385 61.750 62.300 -0.276 0.000 0.848 692 V CB 1.548 33.078 31.823 -0.488 0.000 0.998 692 V HN 0.894 nan 8.190 nan 0.000 0.424 693 T N 1.246 115.550 114.554 -0.417 0.000 3.051 693 T HA 0.077 4.427 4.350 -0.000 0.000 0.255 693 T C 0.489 174.833 174.700 -0.593 0.000 1.085 693 T CA 0.385 62.070 62.100 -0.691 0.000 1.109 693 T CB 0.270 68.687 68.868 -0.753 0.000 0.921 693 T HN 0.360 nan 8.240 nan 0.000 0.488 694 V N 3.208 122.909 119.914 -0.356 0.000 2.562 694 V HA 0.310 4.430 4.120 -0.000 0.000 0.274 694 V C -1.739 174.179 176.094 -0.294 0.000 1.075 694 V CA -1.582 60.596 62.300 -0.204 0.000 1.204 694 V CB 0.950 32.790 31.823 0.030 0.000 1.478 694 V HN 0.174 nan 8.190 nan 0.000 0.622 695 P HA -0.183 nan 4.420 nan 0.000 0.218 695 P C 0.936 177.950 177.300 -0.476 0.000 1.146 695 P CA 1.325 63.833 63.100 -0.987 0.000 0.820 695 P CB 0.433 31.177 31.700 -1.593 0.000 0.778 696 D N -0.693 119.582 120.400 -0.209 0.000 2.351 696 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 696 D C 1.609 177.887 176.300 -0.037 0.000 0.968 696 D CA 0.828 54.800 54.000 -0.048 0.000 0.899 696 D CB -0.103 40.738 40.800 0.068 0.000 0.907 696 D HN 0.313 nan 8.370 nan 0.000 0.514 697 L N -0.631 120.578 121.223 -0.023 0.000 2.858 697 L HA 0.328 4.668 4.340 -0.000 0.000 0.251 697 L C 0.688 177.588 176.870 0.051 0.000 1.149 697 L CA -0.283 54.572 54.840 0.025 0.000 0.955 697 L CB 0.605 42.721 42.059 0.096 0.000 1.289 697 L HN -0.172 nan 8.230 nan 0.000 0.542 698 A N 0.656 123.484 122.820 0.014 0.000 2.264 698 A HA 0.810 5.130 4.320 -0.000 0.000 0.304 698 A C -0.771 176.927 177.584 0.190 0.000 1.100 698 A CA -0.168 51.919 52.037 0.084 0.000 0.839 698 A CB 0.915 19.908 19.000 -0.011 0.000 1.121 698 A HN 0.124 nan 8.150 nan 0.000 0.496 699 L N 0.166 121.514 121.223 0.208 0.000 2.445 699 L HA 0.518 4.857 4.340 -0.000 0.000 0.262 699 L C -0.861 176.123 176.870 0.190 0.000 0.974 699 L CA -0.411 54.540 54.840 0.185 0.000 0.822 699 L CB 2.245 44.385 42.059 0.136 0.000 1.339 699 L HN 0.396 nan 8.230 nan 0.000 0.409 700 V N 2.074 122.071 119.914 0.139 0.000 2.417 700 V HA 0.614 4.734 4.120 -0.000 0.000 0.291 700 V C -0.274 175.896 176.094 0.127 0.000 1.024 700 V CA -0.596 61.741 62.300 0.062 0.000 0.861 700 V CB 1.692 33.518 31.823 0.005 0.000 0.985 700 V HN 0.712 nan 8.190 nan 0.000 0.436 701 R N 3.655 124.192 120.500 0.061 0.000 2.534 701 R HA 0.633 4.973 4.340 -0.000 0.000 0.301 701 R C -1.842 174.457 176.300 -0.003 0.000 0.961 701 R CA -0.527 55.662 56.100 0.148 0.000 0.871 701 R CB 1.308 31.719 30.300 0.184 0.000 1.170 701 R HN 0.503 nan 8.270 nan 0.000 0.446 702 F N 4.481 124.453 119.950 0.037 0.000 2.427 702 F HA 0.466 4.993 4.527 -0.000 0.000 0.346 702 F C 0.214 176.017 175.800 0.006 0.000 1.120 702 F CA -0.654 57.350 58.000 0.007 0.000 1.033 702 F CB 1.873 40.873 39.000 0.000 0.000 1.126 702 F HN 0.343 nan 8.300 nan 0.000 0.462 703 M N 4.364 124.015 119.600 0.084 0.000 2.327 703 M HA 0.715 5.195 4.480 -0.000 0.000 0.298 703 M C -2.009 174.256 176.300 -0.059 0.000 1.065 703 M CA -0.631 54.688 55.300 0.032 0.000 0.916 703 M CB 1.609 34.260 32.600 0.084 0.000 1.630 703 M HN 0.265 nan 8.290 nan 0.000 0.442 704 V N 4.133 123.951 119.914 -0.159 0.000 2.384 704 V HA 0.505 4.625 4.120 -0.000 0.000 0.287 704 V C -0.426 175.568 176.094 -0.166 0.000 1.020 704 V CA -0.570 61.640 62.300 -0.150 0.000 0.850 704 V CB 1.346 33.093 31.823 -0.127 0.000 0.987 704 V HN 0.880 nan 8.190 nan 0.000 0.436 705 E N 2.132 122.309 120.200 -0.038 0.000 2.235 705 E HA 0.395 4.745 4.350 -0.000 0.000 0.265 705 E C -1.229 175.423 176.600 0.086 0.000 0.940 705 E CA -0.826 55.590 56.400 0.028 0.000 0.819 705 E CB 2.118 31.869 29.700 0.085 0.000 1.206 705 E HN 0.654 nan 8.360 nan 0.000 0.409 706 D N 1.629 122.087 120.400 0.095 0.000 2.412 706 D HA 0.047 4.687 4.640 -0.000 0.000 0.224 706 D C -1.267 175.117 176.300 0.140 0.000 1.093 706 D CA -0.490 53.582 54.000 0.119 0.000 0.850 706 D CB 0.019 40.868 40.800 0.082 0.000 1.046 706 D HN 0.323 nan 8.370 nan 0.000 0.507 707 Y N 3.521 123.865 120.300 0.074 0.000 2.745 707 Y HA 0.134 4.684 4.550 -0.000 0.000 0.335 707 Y C -0.319 175.615 175.900 0.057 0.000 1.212 707 Y CA 0.385 58.525 58.100 0.067 0.000 1.535 707 Y CB 0.352 38.858 38.460 0.077 0.000 1.220 707 Y HN 0.235 nan 8.280 nan 0.000 0.531 708 D N 3.957 123.972 120.400 -0.641 0.000 2.381 708 D HA 0.167 4.807 4.640 -0.000 0.000 0.235 708 D C 0.656 176.442 176.300 -0.856 0.000 1.068 708 D CA 0.003 53.665 54.000 -0.562 0.000 0.832 708 D CB 1.607 42.269 40.800 -0.230 0.000 1.101 708 D HN 0.713 nan 8.370 nan 0.000 0.515 709 S N 1.985 117.298 115.700 -0.645 0.000 2.351 709 S HA -0.201 4.269 4.470 -0.000 0.000 0.220 709 S C 1.843 176.348 174.600 -0.158 0.000 1.035 709 S CA 1.453 59.471 58.200 -0.302 0.000 1.031 709 S CB -0.396 62.807 63.200 0.004 0.000 0.928 709 S HN 0.492 nan 8.310 nan 0.000 0.433 710 S N 1.972 117.604 115.700 -0.112 0.000 2.371 710 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 710 S C 1.237 175.797 174.600 -0.067 0.000 1.029 710 S CA 0.552 58.715 58.200 -0.061 0.000 0.978 710 S CB -0.478 62.701 63.200 -0.036 0.000 0.833 710 S HN 0.546 nan 8.310 nan 0.000 0.466 711 S N 1.671 117.315 115.700 -0.093 0.000 2.748 711 S HA 0.477 4.947 4.470 -0.000 0.000 0.299 711 S C -0.279 174.268 174.600 -0.088 0.000 1.119 711 S CA -1.115 57.043 58.200 -0.070 0.000 0.997 711 S CB 0.511 63.682 63.200 -0.048 0.000 1.223 711 S HN 0.585 nan 8.310 nan 0.000 0.541 712 K N 0.843 121.215 120.400 -0.047 0.000 2.249 712 K HA 0.233 4.553 4.320 -0.000 0.000 0.280 712 K C -0.905 175.676 176.600 -0.031 0.000 1.033 712 K CA -0.531 55.739 56.287 -0.029 0.000 0.946 712 K CB 0.137 32.639 32.500 0.003 0.000 1.005 712 K HN 0.326 nan 8.250 nan 0.000 0.469 713 N N 3.433 122.119 118.700 -0.024 0.000 2.447 713 N HA 0.005 4.745 4.740 -0.000 0.000 0.263 713 N C -0.780 174.768 175.510 0.063 0.000 1.226 713 N CA 0.157 53.209 53.050 0.004 0.000 0.906 713 N CB 0.280 38.802 38.487 0.057 0.000 1.060 713 N HN 0.595 nan 8.380 nan 0.000 0.468 714 D N 0.832 121.272 120.400 0.068 0.000 2.399 714 D HA 0.024 4.664 4.640 -0.000 0.000 0.241 714 D C -0.069 176.332 176.300 0.168 0.000 1.133 714 D CA -0.025 54.044 54.000 0.115 0.000 0.890 714 D CB 0.435 41.291 40.800 0.094 0.000 1.201 714 D HN 0.363 nan 8.370 nan 0.000 0.432 715 F N 1.738 121.717 119.950 0.048 0.000 2.410 715 F HA 0.266 4.793 4.527 -0.000 0.000 0.348 715 F C 0.570 176.409 175.800 0.065 0.000 1.106 715 F CA -0.290 57.744 58.000 0.056 0.000 1.163 715 F CB 0.430 39.461 39.000 0.051 0.000 1.129 715 F HN 0.289 nan 8.300 nan 0.000 0.516 716 I N 3.524 123.822 120.570 -0.454 0.000 3.039 716 I HA 0.385 4.555 4.170 -0.000 0.000 0.270 716 I C 1.101 176.913 176.117 -0.508 0.000 1.150 716 I CA 0.472 61.588 61.300 -0.306 0.000 1.448 716 I CB 0.078 37.967 38.000 -0.185 0.000 1.197 716 I HN 0.748 nan 8.210 nan 0.000 0.450 717 G N -0.279 107.949 108.800 -0.952 0.000 2.523 717 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 717 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 717 G C -2.068 172.545 174.900 -0.479 0.000 1.450 717 G CA -0.232 44.544 45.100 -0.539 0.000 0.790 717 G HN -0.093 nan 8.290 nan 0.000 0.496 718 Q N -0.794 119.007 119.800 0.002 0.000 2.575 718 Q HA 0.697 5.037 4.340 -0.000 0.000 0.290 718 Q C -1.946 174.162 176.000 0.180 0.000 0.963 718 Q CA -0.665 55.227 55.803 0.149 0.000 0.783 718 Q CB 1.997 30.984 28.738 0.415 0.000 1.467 718 Q HN 1.188 nan 8.270 nan 0.000 0.402 719 S N 0.563 116.381 115.700 0.198 0.000 2.563 719 S HA 0.618 5.088 4.470 -0.000 0.000 0.279 719 S C -1.790 172.955 174.600 0.243 0.000 1.155 719 S CA -0.170 58.139 58.200 0.182 0.000 0.928 719 S CB 1.594 64.854 63.200 0.100 0.000 1.107 719 S HN 0.510 nan 8.310 nan 0.000 0.462 720 T N 5.223 119.909 114.554 0.220 0.000 2.812 720 T HA 0.588 4.938 4.350 -0.000 0.000 0.282 720 T C -0.666 174.184 174.700 0.250 0.000 0.990 720 T CA -0.361 61.864 62.100 0.208 0.000 0.960 720 T CB 0.581 69.522 68.868 0.121 0.000 0.948 720 T HN 0.564 nan 8.240 nan 0.000 0.438 721 I N 4.851 125.534 120.570 0.188 0.000 2.418 721 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 721 I C -2.499 173.590 176.117 -0.046 0.000 1.008 721 I CA -2.846 58.477 61.300 0.039 0.000 1.104 721 I CB 2.215 40.190 38.000 -0.041 0.000 1.264 721 I HN 0.275 nan 8.210 nan 0.000 0.438 722 P HA -0.100 nan 4.420 nan 0.000 0.268 722 P C 0.614 177.890 177.300 -0.039 0.000 1.204 722 P CA -0.022 63.042 63.100 -0.060 0.000 0.768 722 P CB 0.655 32.284 31.700 -0.119 0.000 0.842 723 W N 4.259 125.501 121.300 -0.097 0.000 2.290 723 W HA -0.278 4.382 4.660 -0.000 0.000 0.323 723 W C 0.789 177.259 176.519 -0.081 0.000 1.260 723 W CA 1.875 59.173 57.345 -0.079 0.000 1.266 723 W CB -0.748 28.677 29.460 -0.057 0.000 1.149 723 W HN 0.363 nan 8.180 nan 0.000 0.482 724 N N 0.211 119.020 118.700 0.182 0.000 2.571 724 N HA -0.074 4.666 4.740 -0.000 0.000 0.189 724 N C 1.129 176.669 175.510 0.049 0.000 1.154 724 N CA 1.175 54.297 53.050 0.120 0.000 0.907 724 N CB -0.133 38.466 38.487 0.186 0.000 0.977 724 N HN 0.032 nan 8.380 nan 0.000 0.449 725 S N -0.041 115.594 115.700 -0.109 0.000 2.559 725 S HA 0.165 4.635 4.470 -0.000 0.000 0.226 725 S C 0.342 174.694 174.600 -0.413 0.000 1.000 725 S CA -0.523 57.545 58.200 -0.220 0.000 0.948 725 S CB 0.666 63.571 63.200 -0.491 0.000 0.870 725 S HN 0.125 nan 8.310 nan 0.000 0.497 726 L N 3.760 124.751 121.223 -0.388 0.000 2.433 726 L HA 0.274 4.614 4.340 -0.000 0.000 0.275 726 L C -0.149 176.524 176.870 -0.328 0.000 1.128 726 L CA 0.257 54.870 54.840 -0.378 0.000 0.875 726 L CB 0.141 41.910 42.059 -0.483 0.000 1.171 726 L HN -0.166 nan 8.230 nan 0.000 0.463 727 K N 4.683 124.932 120.400 -0.252 0.000 2.174 727 K HA 0.316 4.636 4.320 -0.000 0.000 0.275 727 K C -0.296 176.180 176.600 -0.207 0.000 1.015 727 K CA -0.314 55.849 56.287 -0.207 0.000 0.933 727 K CB 1.045 33.457 32.500 -0.147 0.000 1.025 727 K HN 0.653 nan 8.250 nan 0.000 0.463 728 Q N -0.070 119.611 119.800 -0.200 0.000 2.180 728 Q HA 0.575 4.915 4.340 -0.000 0.000 0.241 728 Q C 0.493 176.354 176.000 -0.231 0.000 0.970 728 Q CA -0.599 55.072 55.803 -0.219 0.000 0.919 728 Q CB 1.126 29.736 28.738 -0.213 0.000 1.222 728 Q HN 0.804 nan 8.270 nan 0.000 0.482 729 G N -0.315 108.301 108.800 -0.306 0.000 2.508 729 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 729 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 729 G C -1.416 173.224 174.900 -0.433 0.000 1.287 729 G CA -0.766 44.092 45.100 -0.402 0.000 0.916 729 G HN 0.456 nan 8.290 nan 0.000 0.574 730 Y N 2.266 122.467 120.300 -0.164 0.000 2.359 730 Y HA 0.697 5.247 4.550 -0.000 0.000 0.334 730 Y C 1.383 177.155 175.900 -0.214 0.000 1.058 730 Y CA 0.079 58.044 58.100 -0.225 0.000 1.244 730 Y CB 1.006 39.512 38.460 0.075 0.000 1.187 730 Y HN 0.557 nan 8.280 nan 0.000 0.510 731 R N 1.175 121.536 120.500 -0.233 0.000 2.781 731 R HA 0.406 4.746 4.340 -0.000 0.000 0.269 731 R C -1.620 174.533 176.300 -0.245 0.000 1.025 731 R CA -1.363 54.641 56.100 -0.160 0.000 0.914 731 R CB 1.594 31.806 30.300 -0.147 0.000 1.236 731 R HN 0.688 nan 8.270 nan 0.000 0.465 732 H N -0.693 118.383 119.070 0.009 0.000 2.495 732 H HA 0.437 4.993 4.556 -0.000 0.000 0.348 732 H C -0.572 174.692 175.328 -0.106 0.000 1.113 732 H CA -0.550 55.482 56.048 -0.028 0.000 1.195 732 H CB 2.046 31.748 29.762 -0.100 0.000 1.521 732 H HN 0.040 nan 8.280 nan 0.000 0.509 733 V N 3.849 123.705 119.914 -0.096 0.000 2.364 733 V HA 0.082 4.202 4.120 -0.000 0.000 0.272 733 V C -0.330 175.687 176.094 -0.128 0.000 1.036 733 V CA -0.613 61.584 62.300 -0.171 0.000 0.880 733 V CB 0.234 31.779 31.823 -0.464 0.000 0.991 733 V HN 0.802 nan 8.190 nan 0.000 0.460 734 H N 4.894 123.950 119.070 -0.023 0.000 2.846 734 H HA 0.412 4.968 4.556 -0.000 0.000 0.278 734 H C 0.004 175.347 175.328 0.025 0.000 1.117 734 H CA -0.242 55.810 56.048 0.007 0.000 1.406 734 H CB 0.336 30.098 29.762 0.001 0.000 1.445 734 H HN 0.513 nan 8.280 nan 0.000 0.469 735 L N 4.456 125.730 121.223 0.084 0.000 2.426 735 L HA 0.159 4.499 4.340 -0.000 0.000 0.271 735 L C 0.028 177.021 176.870 0.205 0.000 1.169 735 L CA -0.014 54.894 54.840 0.112 0.000 0.836 735 L CB 0.370 42.458 42.059 0.049 0.000 1.112 735 L HN 0.404 nan 8.230 nan 0.000 0.465 736 L N 1.601 122.951 121.223 0.211 0.000 2.330 736 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 736 L C 0.504 177.574 176.870 0.333 0.000 1.013 736 L CA -0.614 54.351 54.840 0.208 0.000 0.816 736 L CB 2.010 44.156 42.059 0.144 0.000 1.287 736 L HN 0.747 nan 8.230 nan 0.000 0.435 737 S N 0.065 115.879 115.700 0.190 0.000 2.634 737 S HA 0.127 4.597 4.470 -0.000 0.000 0.261 737 S C 0.843 175.603 174.600 0.267 0.000 1.271 737 S CA -0.425 57.947 58.200 0.286 0.000 0.985 737 S CB 0.794 63.979 63.200 -0.025 0.000 0.968 737 S HN 0.776 nan 8.310 nan 0.000 0.568 738 K N 0.470 120.969 120.400 0.165 0.000 2.360 738 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 738 K C 0.595 177.122 176.600 -0.122 0.000 1.046 738 K CA 1.231 57.390 56.287 -0.214 0.000 0.945 738 K CB -0.529 31.693 32.500 -0.463 0.000 0.750 738 K HN 0.501 nan 8.250 nan 0.000 0.464 739 N N 0.613 119.283 118.700 -0.050 0.000 2.314 739 N HA 0.045 4.785 4.740 -0.000 0.000 0.200 739 N C 0.677 176.161 175.510 -0.043 0.000 1.135 739 N CA 0.820 53.836 53.050 -0.056 0.000 0.835 739 N CB 1.131 39.592 38.487 -0.043 0.000 0.989 739 N HN 0.570 nan 8.380 nan 0.000 0.478 740 G N 0.943 109.731 108.800 -0.020 0.000 2.176 740 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 740 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 740 G C -0.295 174.599 174.900 -0.011 0.000 0.979 740 G CA -0.143 44.953 45.100 -0.006 0.000 0.641 740 G HN 0.294 nan 8.290 nan 0.000 0.530 741 D N 1.175 121.551 120.400 -0.039 0.000 2.382 741 D HA 0.298 4.937 4.640 -0.000 0.000 0.245 741 D C 0.678 176.923 176.300 -0.092 0.000 1.120 741 D CA 0.190 54.146 54.000 -0.073 0.000 0.890 741 D CB 0.661 41.392 40.800 -0.115 0.000 1.201 741 D HN 0.152 nan 8.370 nan 0.000 0.433 742 Q N 1.288 121.053 119.800 -0.058 0.000 2.313 742 Q HA 0.018 4.358 4.340 -0.000 0.000 0.266 742 Q C -0.382 175.601 176.000 -0.029 0.000 0.989 742 Q CA 0.273 56.069 55.803 -0.012 0.000 0.890 742 Q CB 0.526 29.267 28.738 0.005 0.000 1.200 742 Q HN 0.365 nan 8.270 nan 0.000 0.396 743 H N 5.961 125.070 119.070 0.066 0.000 2.741 743 H HA 0.102 4.658 4.556 -0.000 0.000 0.282 743 H C -1.287 174.077 175.328 0.060 0.000 1.122 743 H CA -1.981 54.102 56.048 0.059 0.000 1.293 743 H CB 1.059 30.853 29.762 0.053 0.000 1.415 743 H HN 0.436 nan 8.280 nan 0.000 0.472 744 P HA -0.241 nan 4.420 nan 0.000 0.224 744 P C 0.760 178.125 177.300 0.110 0.000 1.153 744 P CA 1.976 65.150 63.100 0.123 0.000 0.947 744 P CB 0.278 32.039 31.700 0.102 0.000 0.790 745 S N -3.009 112.741 115.700 0.083 0.000 2.749 745 S HA 0.592 5.062 4.470 -0.000 0.000 0.246 745 S C 0.664 175.246 174.600 -0.030 0.000 1.023 745 S CA -0.288 57.924 58.200 0.019 0.000 1.012 745 S CB 0.059 63.269 63.200 0.016 0.000 0.942 745 S HN 0.354 nan 8.310 nan 0.000 0.531 746 A N 2.340 125.155 122.820 -0.009 0.000 2.269 746 A HA 0.679 4.999 4.320 -0.000 0.000 0.302 746 A C 0.430 177.962 177.584 -0.086 0.000 1.266 746 A CA -0.294 51.705 52.037 -0.065 0.000 0.894 746 A CB 0.116 19.043 19.000 -0.122 0.000 1.147 746 A HN 0.519 nan 8.150 nan 0.000 0.537 747 T N 0.106 114.595 114.554 -0.108 0.000 2.864 747 T HA 0.729 5.079 4.350 -0.000 0.000 0.299 747 T C -0.691 174.013 174.700 0.006 0.000 1.166 747 T CA -0.765 61.257 62.100 -0.130 0.000 1.007 747 T CB 1.087 69.813 68.868 -0.236 0.000 1.219 747 T HN 0.420 nan 8.240 nan 0.000 0.506 748 L N 1.366 122.607 121.223 0.031 0.000 2.365 748 L HA 0.665 5.005 4.340 -0.000 0.000 0.273 748 L C -1.343 175.611 176.870 0.139 0.000 1.000 748 L CA -1.055 53.846 54.840 0.102 0.000 0.819 748 L CB 2.078 44.156 42.059 0.032 0.000 1.284 748 L HN 0.700 nan 8.230 nan 0.000 0.418 749 F N 4.494 124.434 119.950 -0.016 0.000 2.411 749 F HA 0.631 5.158 4.527 -0.000 0.000 0.352 749 F C -0.302 175.441 175.800 -0.095 0.000 1.123 749 F CA -0.683 57.182 58.000 -0.226 0.000 1.044 749 F CB 1.187 40.068 39.000 -0.199 0.000 1.135 749 F HN 0.126 nan 8.300 nan 0.000 0.461 750 V N 2.820 122.367 119.914 -0.613 0.000 3.158 750 V HA 0.653 4.773 4.120 -0.000 0.000 0.311 750 V C -1.467 174.301 176.094 -0.543 0.000 1.181 750 V CA -1.170 60.877 62.300 -0.422 0.000 1.054 750 V CB 2.054 33.793 31.823 -0.140 0.000 1.085 750 V HN 0.714 nan 8.190 nan 0.000 0.446 751 K N 1.310 121.486 120.400 -0.372 0.000 2.502 751 K HA 0.707 5.027 4.320 -0.000 0.000 0.254 751 K C -1.757 174.667 176.600 -0.294 0.000 0.947 751 K CA -0.608 55.410 56.287 -0.447 0.000 0.834 751 K CB 1.705 33.876 32.500 -0.549 0.000 1.112 751 K HN 0.776 nan 8.250 nan 0.000 0.427 752 I N 2.049 122.450 120.570 -0.282 0.000 2.493 752 I HA 0.267 4.437 4.170 -0.000 0.000 0.298 752 I C -0.320 175.664 176.117 -0.222 0.000 0.998 752 I CA -0.458 60.722 61.300 -0.199 0.000 1.137 752 I CB 2.055 39.947 38.000 -0.180 0.000 1.310 752 I HN 0.508 nan 8.210 nan 0.000 0.445 753 S N 7.153 122.752 115.700 -0.169 0.000 2.619 753 S HA 0.685 5.155 4.470 -0.000 0.000 0.280 753 S C -1.122 173.417 174.600 -0.102 0.000 1.150 753 S CA -0.587 57.520 58.200 -0.155 0.000 0.978 753 S CB 0.968 64.079 63.200 -0.148 0.000 1.041 753 S HN 0.467 nan 8.310 nan 0.000 0.485 754 I N 4.122 124.633 120.570 -0.098 0.000 2.418 754 I HA 0.489 4.659 4.170 -0.000 0.000 0.287 754 I C -0.322 175.802 176.117 0.013 0.000 1.008 754 I CA -0.423 60.864 61.300 -0.021 0.000 1.104 754 I CB 1.875 39.835 38.000 -0.065 0.000 1.264 754 I HN 0.687 nan 8.210 nan 0.000 0.438 755 Q N 5.627 125.455 119.800 0.047 0.000 2.347 755 Q HA 0.383 4.723 4.340 -0.000 0.000 0.271 755 Q C -1.767 174.259 176.000 0.043 0.000 1.064 755 Q CA -0.726 55.094 55.803 0.030 0.000 0.800 755 Q CB 2.741 31.485 28.738 0.009 0.000 1.304 755 Q HN 0.602 nan 8.270 nan 0.000 0.438 756 D N 0.000 120.418 120.400 0.029 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 756 D CA 0.000 54.009 54.000 0.015 0.000 0.868 756 D CB 0.000 40.805 40.800 0.008 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683