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 3o8o_1_E DATA FIRST_RESID 203 DATA SEQUENCE QKKKKIAVMT SGGDSPGMNA AVRAVVRTGI HFGCDVFAVY EGYEGLLRGG DATA SEQUENCE KYLKKMAWED VRGWLSEGGT LIGTARSMEF RKREGRRQAA GNLISQGIDA DATA SEQUENCE LVVCGGDGSL TGADLFRHEW PSLVDELVAE GRFTKEEVAP YKNLSIVGLV DATA SEQUENCE GSIDNDMSGT DSTIGAYSAL ERICEMVDYI DATAKSHSRA FVVEVMGRHC DATA SEQUENCE GWLALMAGIA TGADYIFIPE RAVPHGKWQD ELKEVCQRHR SKGRRNNTII DATA SEQUENCE VAEGALDDQL NPVTANDVKD ALIELGLDTK VTILGHVQRG GTAVAHDRWL DATA SEQUENCE ATLQGVDAVK AVLEFTPETP SPLIGILENK IIRMPLVESV KLTKSVATAI DATA SEQUENCE ENKDFDKAIS LRDTEFIELY ENFLSTTVKD DGSELLPVSD RLNIGIVHVG DATA SEQUENCE APSAALNAAT RAATLYCLSH GHKPYAIMNG FSGLIQTGEV KELSWIDVEN DATA SEQUENCE WHNLGGSEIG TNRSVASEDL GTIAYYFQKN KLDGLIILGG FEGFRSLKQL DATA SEQUENCE RDGRTQHPIF NIPMCLIPAT VSNNVPGTEY SLGVDTCLNA LVNYTDDIKQ DATA SEQUENCE SASATRRRVF VCEVQGGHSG YIASFTGLIT GAVSVYTPEK KIDLASIRED DATA SEQUENCE ITLLKENFRH DKGENRNGKL LVRNEQASSV YSTQLLADII SEASKGKFGV DATA SEQUENCE RTAIPGHVQQ GGVPSSKDRV TASRFAVKCI KFIEQWNKKN EXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXEDD SAAVICVNGS HVSFKPIANL WENETNVELR DATA SEQUENCE KGFEVHWAEY NKIGDILSGR LKLRAEVA 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 203 Q HA 0.000 nan 4.340 nan 0.000 0.214 203 Q C 0.000 176.006 176.000 0.010 0.000 1.003 203 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 203 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 204 K N 1.030 121.444 120.400 0.025 0.000 2.520 204 K HA 0.637 4.957 4.320 -0.000 0.000 0.256 204 K C -1.104 175.529 176.600 0.056 0.000 1.033 204 K CA -0.778 55.527 56.287 0.030 0.000 1.007 204 K CB 0.332 32.848 32.500 0.027 0.000 1.330 204 K HN 0.370 nan 8.250 nan 0.000 0.507 205 K N 1.001 121.437 120.400 0.060 0.000 5.472 205 K HA -0.117 4.203 4.320 -0.000 0.000 0.892 205 K C -1.533 175.134 176.600 0.111 0.000 1.918 205 K CA 0.320 56.660 56.287 0.088 0.000 1.518 205 K CB -0.618 31.947 32.500 0.109 0.000 2.620 205 K HN 0.472 nan 8.250 nan 0.000 0.228 206 K N 3.479 123.938 120.400 0.098 0.000 2.263 206 K HA 0.271 4.591 4.320 -0.000 0.000 0.272 206 K C -0.433 176.242 176.600 0.125 0.000 1.033 206 K CA -0.815 55.534 56.287 0.103 0.000 0.884 206 K CB 1.029 33.569 32.500 0.066 0.000 1.107 206 K HN 0.138 nan 8.250 nan 0.000 0.460 207 K N 2.759 123.247 120.400 0.147 0.000 2.156 207 K HA 0.479 4.799 4.320 -0.000 0.000 0.271 207 K C -0.386 176.285 176.600 0.119 0.000 0.995 207 K CA -0.213 56.183 56.287 0.181 0.000 0.890 207 K CB 1.061 33.661 32.500 0.167 0.000 1.073 207 K HN 0.417 nan 8.250 nan 0.000 0.454 208 I N 1.435 122.097 120.570 0.153 0.000 2.608 208 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 208 I C -0.739 175.446 176.117 0.113 0.000 1.049 208 I CA -1.239 60.103 61.300 0.070 0.000 1.063 208 I CB 2.290 40.308 38.000 0.029 0.000 1.248 208 I HN 0.562 nan 8.210 nan 0.000 0.424 209 A N 5.091 127.930 122.820 0.032 0.000 2.343 209 A HA 0.823 5.143 4.320 -0.000 0.000 0.316 209 A C -0.734 176.829 177.584 -0.035 0.000 1.104 209 A CA -0.605 51.457 52.037 0.041 0.000 0.768 209 A CB 1.502 20.508 19.000 0.009 0.000 1.213 209 A HN 0.563 nan 8.150 nan 0.000 0.456 210 V N 0.763 120.654 119.914 -0.039 0.000 2.459 210 V HA 0.828 4.948 4.120 -0.000 0.000 0.295 210 V C -0.260 175.759 176.094 -0.125 0.000 1.029 210 V CA -0.667 61.579 62.300 -0.090 0.000 0.874 210 V CB 1.138 32.908 31.823 -0.087 0.000 0.985 210 V HN 1.054 nan 8.190 nan 0.000 0.438 211 M N 3.874 123.367 119.600 -0.178 0.000 2.602 211 M HA 0.659 5.139 4.480 -0.000 0.000 0.312 211 M C -0.796 175.364 176.300 -0.234 0.000 1.181 211 M CA -0.262 54.894 55.300 -0.240 0.000 0.910 211 M CB 2.536 34.920 32.600 -0.360 0.000 1.723 211 M HN 0.828 nan 8.290 nan 0.000 0.459 212 T N 2.498 116.912 114.554 -0.232 0.000 3.064 212 T HA 0.416 4.766 4.350 -0.000 0.000 0.367 212 T C -1.217 173.367 174.700 -0.193 0.000 1.202 212 T CA -0.257 61.731 62.100 -0.187 0.000 1.133 212 T CB 0.404 69.179 68.868 -0.155 0.000 1.074 212 T HN 0.726 nan 8.240 nan 0.000 0.519 213 S N 3.291 118.867 115.700 -0.207 0.000 2.638 213 S HA 0.922 5.392 4.470 -0.000 0.000 0.298 213 S C 0.695 175.257 174.600 -0.064 0.000 1.111 213 S CA 0.743 58.844 58.200 -0.165 0.000 1.027 213 S CB 0.821 63.855 63.200 -0.277 0.000 1.064 213 S HN 1.542 nan 8.310 nan 0.000 0.525 214 G N 1.361 110.152 108.800 -0.014 0.000 2.615 214 G HA2 0.086 4.046 3.960 -0.000 0.000 0.218 214 G HA3 0.086 4.046 3.960 -0.000 0.000 0.218 214 G C 0.206 175.104 174.900 -0.003 0.000 1.339 214 G CA -0.341 44.764 45.100 0.009 0.000 0.884 214 G HN 1.441 nan 8.290 nan 0.000 0.559 215 G N 0.556 109.359 108.800 0.005 0.000 2.406 215 G HA2 0.527 4.487 3.960 -0.000 0.000 0.251 215 G HA3 0.527 4.487 3.960 -0.000 0.000 0.251 215 G C 0.301 175.196 174.900 -0.008 0.000 1.271 215 G CA 0.935 46.040 45.100 0.009 0.000 0.859 215 G HN 1.150 nan 8.290 nan 0.000 0.540 216 D N -0.197 120.196 120.400 -0.011 0.000 2.358 216 D HA 0.436 5.076 4.640 -0.000 0.000 0.244 216 D C 0.197 176.488 176.300 -0.016 0.000 1.163 216 D CA -0.233 53.749 54.000 -0.029 0.000 0.945 216 D CB 1.315 42.089 40.800 -0.042 0.000 1.152 216 D HN 0.526 nan 8.370 nan 0.000 0.451 217 S N -1.490 114.195 115.700 -0.025 0.000 2.533 217 S HA 0.538 5.008 4.470 -0.000 0.000 0.271 217 S C -3.199 171.392 174.600 -0.014 0.000 1.143 217 S CA -1.448 56.745 58.200 -0.011 0.000 0.891 217 S CB 1.617 64.811 63.200 -0.010 0.000 1.105 217 S HN 0.194 nan 8.310 nan 0.000 0.468 218 P HA 0.343 nan 4.420 nan 0.000 0.261 218 P C 1.114 178.421 177.300 0.012 0.000 1.183 218 P CA 1.578 64.680 63.100 0.004 0.000 0.761 218 P CB 0.279 31.997 31.700 0.029 0.000 0.785 219 G N 2.555 111.351 108.800 -0.007 0.000 2.253 219 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.209 219 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.209 219 G C 1.074 175.960 174.900 -0.024 0.000 0.997 219 G CA 0.257 45.356 45.100 -0.002 0.000 0.640 219 G HN 0.421 nan 8.290 nan 0.000 0.496 220 M N 0.603 120.179 119.600 -0.040 0.000 2.080 220 M HA -0.078 4.402 4.480 -0.000 0.000 0.260 220 M C 2.458 178.740 176.300 -0.030 0.000 1.068 220 M CA 2.099 57.369 55.300 -0.049 0.000 1.109 220 M CB -0.491 32.066 32.600 -0.071 0.000 1.342 220 M HN 0.301 nan 8.290 nan 0.000 0.405 221 N N 0.813 119.483 118.700 -0.051 0.000 2.104 221 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 221 N C 1.716 177.312 175.510 0.143 0.000 1.024 221 N CA 1.840 54.909 53.050 0.032 0.000 0.853 221 N CB -0.541 37.833 38.487 -0.188 0.000 1.008 221 N HN 0.375 nan 8.380 nan 0.000 0.424 222 A N 0.917 123.762 122.820 0.041 0.000 1.940 222 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 222 A C 2.382 179.944 177.584 -0.036 0.000 1.176 222 A CA 1.947 53.988 52.037 0.007 0.000 0.631 222 A CB -0.718 18.267 19.000 -0.025 0.000 0.814 222 A HN 0.348 nan 8.150 nan 0.000 0.446 223 A N -0.665 122.134 122.820 -0.036 0.000 1.855 223 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 223 A C 2.244 179.788 177.584 -0.066 0.000 1.191 223 A CA 1.698 53.695 52.037 -0.067 0.000 0.613 223 A CB -1.065 17.898 19.000 -0.061 0.000 0.829 223 A HN 0.370 nan 8.150 nan 0.000 0.442 224 V N 0.480 120.384 119.914 -0.016 0.000 2.255 224 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 224 V C 2.719 178.744 176.094 -0.115 0.000 1.051 224 V CA 2.487 64.771 62.300 -0.027 0.000 1.018 224 V CB -0.818 31.066 31.823 0.101 0.000 0.641 224 V HN 0.742 nan 8.190 nan 0.000 0.445 225 R N 0.164 120.610 120.500 -0.091 0.000 2.139 225 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 225 R C 2.094 178.210 176.300 -0.306 0.000 1.145 225 R CA 1.883 57.822 56.100 -0.268 0.000 0.976 225 R CB -0.382 29.813 30.300 -0.176 0.000 0.866 225 R HN 0.508 nan 8.270 nan 0.000 0.449 226 A N 0.249 122.938 122.820 -0.220 0.000 1.854 226 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 226 A C 2.269 179.727 177.584 -0.210 0.000 1.192 226 A CA 1.292 53.192 52.037 -0.228 0.000 0.611 226 A CB -0.556 18.331 19.000 -0.188 0.000 0.832 226 A HN 0.190 nan 8.150 nan 0.000 0.442 227 V N -0.045 119.772 119.914 -0.162 0.000 2.282 227 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 227 V C 2.543 178.552 176.094 -0.141 0.000 1.057 227 V CA 2.130 64.356 62.300 -0.123 0.000 1.032 227 V CB -1.092 30.670 31.823 -0.101 0.000 0.645 227 V HN 0.356 nan 8.190 nan 0.000 0.447 228 V N 0.103 119.892 119.914 -0.208 0.000 2.214 228 V HA -0.296 3.824 4.120 -0.000 0.000 0.244 228 V C 2.583 178.525 176.094 -0.253 0.000 1.045 228 V CA 2.478 64.633 62.300 -0.241 0.000 0.993 228 V CB -0.780 30.826 31.823 -0.362 0.000 0.633 228 V HN 0.460 nan 8.190 nan 0.000 0.449 229 R N -0.345 119.895 120.500 -0.433 0.000 2.127 229 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 229 R C 2.254 178.439 176.300 -0.192 0.000 1.134 229 R CA 1.808 57.587 56.100 -0.535 0.000 0.975 229 R CB -0.733 28.883 30.300 -1.141 0.000 0.865 229 R HN 0.542 nan 8.270 nan 0.000 0.447 230 T N -0.108 114.329 114.554 -0.195 0.000 2.867 230 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 230 T C 1.854 176.512 174.700 -0.070 0.000 1.057 230 T CA 1.331 63.330 62.100 -0.169 0.000 1.136 230 T CB -0.243 68.546 68.868 -0.131 0.000 0.874 230 T HN 0.526 nan 8.240 nan 0.000 0.466 231 G N 1.624 110.425 108.800 0.001 0.000 2.434 231 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.214 231 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.214 231 G C 1.504 176.469 174.900 0.109 0.000 1.202 231 G CA 0.380 45.533 45.100 0.087 0.000 0.788 231 G HN 0.464 nan 8.290 nan 0.000 0.539 232 I N 0.451 121.078 120.570 0.096 0.000 2.185 232 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 232 I C 2.565 178.783 176.117 0.168 0.000 1.088 232 I CA 1.772 63.165 61.300 0.155 0.000 1.347 232 I CB -0.496 37.676 38.000 0.286 0.000 1.041 232 I HN 0.337 nan 8.210 nan 0.000 0.415 233 H N 1.213 120.328 119.070 0.075 0.000 2.352 233 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 233 H C 1.506 176.816 175.328 -0.029 0.000 1.097 233 H CA 1.535 57.552 56.048 -0.051 0.000 1.311 233 H CB -0.155 29.467 29.762 -0.233 0.000 1.377 233 H HN 0.325 nan 8.280 nan 0.000 0.504 234 F N 0.387 120.319 119.950 -0.029 0.000 2.696 234 F HA 0.155 4.682 4.527 -0.000 0.000 0.296 234 F C 1.708 177.471 175.800 -0.061 0.000 1.181 234 F CA 0.001 57.941 58.000 -0.101 0.000 1.411 234 F CB 0.355 39.360 39.000 0.008 0.000 1.014 234 F HN 0.385 nan 8.300 nan 0.000 0.512 235 G N -0.118 108.741 108.800 0.097 0.000 2.196 235 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.268 235 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.268 235 G C 0.498 175.448 174.900 0.083 0.000 0.975 235 G CA 0.278 45.417 45.100 0.065 0.000 0.648 235 G HN 0.435 nan 8.290 nan 0.000 0.538 236 C N -0.174 119.195 119.300 0.114 0.000 2.711 236 C HA 0.637 5.097 4.460 -0.000 0.000 0.306 236 C C 0.553 175.596 174.990 0.089 0.000 1.479 236 C CA -0.387 58.694 59.018 0.105 0.000 2.271 236 C CB 0.815 28.625 27.740 0.115 0.000 2.155 236 C HN 0.515 nan 8.230 nan 0.000 0.674 237 D N -0.422 120.041 120.400 0.105 0.000 2.649 237 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 237 D C -1.117 175.242 176.300 0.098 0.000 1.112 237 D CA -0.016 54.032 54.000 0.080 0.000 0.850 237 D CB 1.847 42.745 40.800 0.162 0.000 1.399 237 D HN 0.237 nan 8.370 nan 0.000 0.503 238 V N 3.076 122.964 119.914 -0.043 0.000 2.555 238 V HA 0.537 4.657 4.120 -0.000 0.000 0.302 238 V C -0.621 175.386 176.094 -0.145 0.000 1.038 238 V CA -0.748 61.548 62.300 -0.006 0.000 0.887 238 V CB 1.333 33.122 31.823 -0.057 0.000 0.991 238 V HN 0.356 nan 8.190 nan 0.000 0.434 239 F N 2.257 122.194 119.950 -0.022 0.000 2.482 239 F HA 0.777 5.304 4.527 -0.000 0.000 0.331 239 F C 0.578 176.373 175.800 -0.008 0.000 1.115 239 F CA -0.560 57.441 58.000 0.001 0.000 0.955 239 F CB 1.838 40.848 39.000 0.017 0.000 1.136 239 F HN 0.588 nan 8.300 nan 0.000 0.452 240 A N 2.330 125.252 122.820 0.170 0.000 2.316 240 A HA 0.723 5.043 4.320 -0.000 0.000 0.284 240 A C -0.926 176.753 177.584 0.159 0.000 1.115 240 A CA -0.515 51.568 52.037 0.076 0.000 0.812 240 A CB 0.712 19.725 19.000 0.022 0.000 1.064 240 A HN 0.551 nan 8.150 nan 0.000 0.489 241 V N 3.276 123.191 119.914 0.001 0.000 2.349 241 V HA 0.246 4.366 4.120 -0.000 0.000 0.284 241 V C -1.070 175.012 176.094 -0.020 0.000 1.014 241 V CA -0.409 61.934 62.300 0.072 0.000 0.826 241 V CB 0.190 31.995 31.823 -0.031 0.000 1.009 241 V HN 0.752 nan 8.190 nan 0.000 0.431 242 Y N 2.814 123.105 120.300 -0.016 0.000 2.357 242 Y HA 0.271 4.821 4.550 -0.000 0.000 0.340 242 Y C 1.358 177.235 175.900 -0.040 0.000 1.260 242 Y CA -0.357 57.700 58.100 -0.071 0.000 1.425 242 Y CB 0.435 38.786 38.460 -0.183 0.000 1.326 242 Y HN 0.702 nan 8.280 nan 0.000 0.580 243 E N -0.066 120.159 120.200 0.042 0.000 2.539 243 E HA -0.248 4.102 4.350 -0.000 0.000 0.253 243 E C 0.909 177.518 176.600 0.015 0.000 1.145 243 E CA 1.118 57.548 56.400 0.050 0.000 0.738 243 E CB -1.780 28.010 29.700 0.150 0.000 1.308 243 E HN 1.045 nan 8.360 nan 0.000 0.409 244 G N -0.189 108.558 108.800 -0.088 0.000 2.574 244 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.282 244 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.282 244 G C 0.637 175.397 174.900 -0.233 0.000 1.257 244 G CA 0.589 45.562 45.100 -0.211 0.000 0.956 244 G HN 0.189 nan 8.290 nan 0.000 0.560 245 Y N 0.876 121.036 120.300 -0.233 0.000 2.151 245 Y HA -0.103 4.447 4.550 -0.000 0.000 0.284 245 Y C 2.910 178.691 175.900 -0.199 0.000 1.166 245 Y CA 2.377 60.222 58.100 -0.426 0.000 1.163 245 Y CB -0.643 37.419 38.460 -0.663 0.000 0.974 245 Y HN 0.735 nan 8.280 nan 0.000 0.511 246 E N -0.170 120.083 120.200 0.089 0.000 2.035 246 E HA -0.208 4.142 4.350 -0.000 0.000 0.204 246 E C 2.594 179.276 176.600 0.136 0.000 1.025 246 E CA 1.934 58.407 56.400 0.121 0.000 0.835 246 E CB -1.024 28.757 29.700 0.134 0.000 0.764 246 E HN 0.388 nan 8.360 nan 0.000 0.457 247 G N 0.166 109.098 108.800 0.221 0.000 2.462 247 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 247 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 247 G C 1.521 176.544 174.900 0.205 0.000 1.121 247 G CA 0.944 46.275 45.100 0.385 0.000 0.758 247 G HN 0.329 nan 8.290 nan 0.000 0.559 248 L N -0.017 121.262 121.223 0.092 0.000 2.093 248 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 248 L C 2.442 179.401 176.870 0.149 0.000 1.085 248 L CA 1.126 56.008 54.840 0.071 0.000 0.755 248 L CB -0.434 41.591 42.059 -0.056 0.000 0.904 248 L HN 0.171 nan 8.230 nan 0.000 0.435 249 L N -0.063 121.263 121.223 0.173 0.000 1.976 249 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 249 L C 2.551 179.473 176.870 0.085 0.000 1.071 249 L CA 1.715 56.676 54.840 0.200 0.000 0.746 249 L CB -1.256 40.931 42.059 0.214 0.000 0.890 249 L HN 0.300 nan 8.230 nan 0.000 0.432 250 R N 0.857 121.348 120.500 -0.016 0.000 2.316 250 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 250 R C 1.202 177.462 176.300 -0.068 0.000 1.137 250 R CA 0.667 56.668 56.100 -0.165 0.000 1.012 250 R CB -1.709 28.224 30.300 -0.611 0.000 0.859 250 R HN 0.593 nan 8.270 nan 0.000 0.474 251 G N 0.052 108.878 108.800 0.043 0.000 2.707 251 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.279 251 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.279 251 G C 0.327 175.283 174.900 0.095 0.000 1.345 251 G CA 0.003 45.150 45.100 0.079 0.000 0.912 251 G HN 0.614 nan 8.290 nan 0.000 0.563 252 G N -0.936 107.919 108.800 0.092 0.000 2.987 252 G HA2 0.175 4.135 3.960 -0.000 0.000 0.271 252 G HA3 0.175 4.135 3.960 -0.000 0.000 0.271 252 G C 0.938 175.926 174.900 0.146 0.000 0.332 252 G CA 1.795 46.956 45.100 0.102 0.000 1.198 252 G HN 2.268 nan 8.290 nan 0.000 0.223 253 K N 0.677 121.156 120.400 0.132 0.000 8.070 253 K HA -0.332 3.988 4.320 -0.000 0.000 0.487 253 K C 1.429 178.095 176.600 0.111 0.000 0.363 253 K CA 2.273 58.625 56.287 0.107 0.000 1.957 253 K CB -1.565 31.018 32.500 0.138 0.000 0.676 253 K HN 0.575 nan 8.250 nan 0.000 0.908 254 Y N 1.296 121.599 120.300 0.005 0.000 2.665 254 Y HA 0.304 4.854 4.550 -0.000 0.000 0.320 254 Y C 0.530 176.519 175.900 0.148 0.000 1.204 254 Y CA 1.071 59.201 58.100 0.049 0.000 1.315 254 Y CB 0.100 38.602 38.460 0.071 0.000 1.033 254 Y HN 0.230 nan 8.280 nan 0.000 0.509 255 L N 0.668 122.041 121.223 0.250 0.000 2.470 255 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 255 L C -1.077 175.968 176.870 0.290 0.000 0.964 255 L CA -0.672 54.331 54.840 0.272 0.000 0.839 255 L CB 1.687 43.858 42.059 0.187 0.000 1.276 255 L HN -0.169 nan 8.230 nan 0.000 0.403 256 K N 4.838 125.468 120.400 0.382 0.000 2.501 256 K HA 0.336 4.656 4.320 -0.000 0.000 0.252 256 K C -1.359 175.302 176.600 0.102 0.000 0.934 256 K CA -0.847 55.609 56.287 0.283 0.000 0.797 256 K CB 2.245 34.822 32.500 0.129 0.000 1.270 256 K HN 0.546 nan 8.250 nan 0.000 0.431 257 K N 5.005 125.262 120.400 -0.238 0.000 2.416 257 K HA 0.090 4.410 4.320 -0.000 0.000 0.283 257 K C -0.405 175.944 176.600 -0.418 0.000 1.037 257 K CA -0.126 55.595 56.287 -0.943 0.000 0.995 257 K CB 0.475 32.542 32.500 -0.721 0.000 0.938 257 K HN 0.501 nan 8.250 nan 0.000 0.475 258 M N 3.219 122.580 119.600 -0.399 0.000 2.209 258 M HA 0.275 4.755 4.480 -0.000 0.000 0.355 258 M C 0.149 176.330 176.300 -0.198 0.000 1.171 258 M CA -0.532 54.624 55.300 -0.239 0.000 1.069 258 M CB 1.098 33.555 32.600 -0.239 0.000 1.622 258 M HN 0.665 nan 8.290 nan 0.000 0.459 259 A N 3.319 126.052 122.820 -0.145 0.000 2.257 259 A HA 0.272 4.592 4.320 -0.000 0.000 0.289 259 A C 0.916 178.470 177.584 -0.049 0.000 1.095 259 A CA -0.547 51.451 52.037 -0.065 0.000 0.836 259 A CB 0.336 19.316 19.000 -0.035 0.000 1.111 259 A HN 1.059 nan 8.150 nan 0.000 0.497 260 W N 0.581 121.796 121.300 -0.142 0.000 2.358 260 W HA -0.134 4.526 4.660 -0.000 0.000 0.303 260 W C 1.551 177.963 176.519 -0.179 0.000 1.208 260 W CA 2.178 59.432 57.345 -0.152 0.000 1.274 260 W CB 0.127 29.523 29.460 -0.107 0.000 1.138 260 W HN 0.890 nan 8.180 nan 0.000 0.515 261 E N -0.209 120.050 120.200 0.097 0.000 2.482 261 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 261 E C 1.087 177.597 176.600 -0.150 0.000 1.047 261 E CA 0.785 57.180 56.400 -0.009 0.000 0.869 261 E CB -0.830 28.916 29.700 0.076 0.000 0.836 261 E HN 0.143 nan 8.360 nan 0.000 0.520 262 D N 1.420 121.692 120.400 -0.214 0.000 2.263 262 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 262 D C 1.689 177.631 176.300 -0.597 0.000 0.971 262 D CA 1.294 55.130 54.000 -0.273 0.000 0.867 262 D CB 0.322 40.970 40.800 -0.252 0.000 0.929 262 D HN 0.303 nan 8.370 nan 0.000 0.492 263 V N -1.254 118.163 119.914 -0.828 0.000 3.319 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.317 263 V C 0.599 176.240 176.094 -0.755 0.000 1.411 263 V CA -0.659 60.756 62.300 -1.475 0.000 1.112 263 V CB -0.625 30.444 31.823 -1.258 0.000 1.031 263 V HN -0.018 nan 8.190 nan 0.000 0.448 264 R N 1.216 121.504 120.500 -0.354 0.000 2.522 264 R HA 0.446 4.786 4.340 -0.000 0.000 0.284 264 R C 1.026 177.374 176.300 0.080 0.000 1.032 264 R CA 0.865 56.891 56.100 -0.124 0.000 1.049 264 R CB 0.104 30.369 30.300 -0.057 0.000 0.956 264 R HN 0.934 nan 8.270 nan 0.000 0.422 265 G N 2.887 111.736 108.800 0.081 0.000 2.179 265 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 265 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 265 G C 0.085 175.118 174.900 0.222 0.000 0.977 265 G CA 0.194 45.373 45.100 0.131 0.000 0.641 265 G HN 0.770 nan 8.290 nan 0.000 0.533 266 W N 0.492 121.733 121.300 -0.098 0.000 2.721 266 W HA 0.370 5.030 4.660 -0.000 0.000 0.245 266 W C 2.339 178.804 176.519 -0.091 0.000 1.276 266 W CA 0.828 58.114 57.345 -0.098 0.000 1.342 266 W CB -0.535 28.850 29.460 -0.125 0.000 1.135 266 W HN 0.364 nan 8.180 nan 0.000 0.654 267 L N 0.206 121.492 121.223 0.105 0.000 2.201 267 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 267 L C 1.796 178.673 176.870 0.010 0.000 1.105 267 L CA 1.549 56.407 54.840 0.031 0.000 0.775 267 L CB -0.510 41.551 42.059 0.002 0.000 0.913 267 L HN -0.064 nan 8.230 nan 0.000 0.440 268 S N -1.799 113.903 115.700 0.004 0.000 2.484 268 S HA 0.296 4.766 4.470 -0.000 0.000 0.242 268 S C -0.017 174.554 174.600 -0.049 0.000 1.158 268 S CA -0.707 57.484 58.200 -0.016 0.000 1.162 268 S CB 0.108 63.302 63.200 -0.010 0.000 0.850 268 S HN 0.054 nan 8.310 nan 0.000 0.477 269 E N 1.168 121.315 120.200 -0.089 0.000 2.212 269 E HA 0.555 4.905 4.350 -0.000 0.000 0.268 269 E C 0.485 176.999 176.600 -0.143 0.000 0.902 269 E CA -0.565 55.742 56.400 -0.155 0.000 0.779 269 E CB 1.841 31.356 29.700 -0.308 0.000 1.172 269 E HN 0.420 nan 8.360 nan 0.000 0.409 270 G N 0.816 109.540 108.800 -0.126 0.000 2.570 270 G HA2 0.397 4.357 3.960 -0.000 0.000 0.276 270 G HA3 0.397 4.357 3.960 -0.000 0.000 0.276 270 G C 0.663 175.482 174.900 -0.134 0.000 1.346 270 G CA 0.165 45.206 45.100 -0.099 0.000 1.034 270 G HN 0.586 nan 8.290 nan 0.000 0.512 271 G N -1.366 107.375 108.800 -0.097 0.000 2.505 271 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.542 271 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.542 271 G C 0.536 175.342 174.900 -0.157 0.000 1.383 271 G CA 0.937 45.973 45.100 -0.107 0.000 0.915 271 G HN 1.573 nan 8.290 nan 0.000 0.515 272 T N -0.154 114.299 114.554 -0.168 0.000 2.791 272 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 272 T C 1.520 176.050 174.700 -0.282 0.000 0.999 272 T CA -0.323 61.647 62.100 -0.217 0.000 0.952 272 T CB 0.636 69.406 68.868 -0.163 0.000 0.938 272 T HN 0.561 nan 8.240 nan 0.000 0.444 273 L N 5.196 126.141 121.223 -0.465 0.000 2.549 273 L HA 0.152 4.492 4.340 -0.000 0.000 0.229 273 L C 1.729 178.414 176.870 -0.309 0.000 1.158 273 L CA 0.880 55.417 54.840 -0.505 0.000 0.842 273 L CB -0.342 41.066 42.059 -1.085 0.000 0.952 273 L HN 0.756 nan 8.230 nan 0.000 0.452 274 I N -3.394 116.986 120.570 -0.316 0.000 3.877 274 I HA 0.470 4.640 4.170 -0.000 0.000 0.332 274 I C 0.901 176.832 176.117 -0.310 0.000 1.525 274 I CA -0.405 60.600 61.300 -0.491 0.000 1.146 274 I CB -0.415 37.194 38.000 -0.652 0.000 1.137 274 I HN 0.059 nan 8.210 nan 0.000 0.424 275 G N 1.776 110.466 108.800 -0.183 0.000 2.960 275 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.267 275 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.267 275 G C -0.202 174.634 174.900 -0.106 0.000 1.492 275 G CA 0.201 45.235 45.100 -0.110 0.000 0.953 275 G HN 0.619 nan 8.290 nan 0.000 0.555 276 T N -0.447 114.067 114.554 -0.066 0.000 3.355 276 T HA 0.762 5.112 4.350 -0.000 0.000 0.324 276 T C 0.038 174.728 174.700 -0.017 0.000 0.932 276 T CA 1.003 63.069 62.100 -0.058 0.000 1.032 276 T CB 0.125 68.954 68.868 -0.064 0.000 1.027 276 T HN 2.195 nan 8.240 nan 0.000 0.456 277 A N 4.599 127.423 122.820 0.006 0.000 2.330 277 A HA 0.946 5.266 4.320 -0.000 0.000 0.329 277 A C -0.174 177.442 177.584 0.053 0.000 1.135 277 A CA -0.926 51.134 52.037 0.038 0.000 0.817 277 A CB 1.173 20.215 19.000 0.070 0.000 1.269 277 A HN 0.726 nan 8.150 nan 0.000 0.469 278 R N 0.611 121.148 120.500 0.061 0.000 2.428 278 R HA 0.531 4.871 4.340 -0.000 0.000 0.294 278 R C -0.696 175.656 176.300 0.086 0.000 1.000 278 R CA -0.153 55.992 56.100 0.074 0.000 0.960 278 R CB 1.598 31.934 30.300 0.060 0.000 1.076 278 R HN 0.632 nan 8.270 nan 0.000 0.475 279 S N 2.994 118.757 115.700 0.105 0.000 2.707 279 S HA 0.240 4.710 4.470 -0.000 0.000 0.312 279 S C 1.055 175.732 174.600 0.128 0.000 1.116 279 S CA -0.593 57.680 58.200 0.122 0.000 1.078 279 S CB 0.947 64.242 63.200 0.158 0.000 0.997 279 S HN 0.612 nan 8.310 nan 0.000 0.477 280 M N 2.898 122.556 119.600 0.097 0.000 2.099 280 M HA -0.040 4.440 4.480 -0.000 0.000 0.262 280 M C 1.704 178.058 176.300 0.090 0.000 1.067 280 M CA 1.567 56.915 55.300 0.080 0.000 1.124 280 M CB -0.436 32.197 32.600 0.055 0.000 1.353 280 M HN 0.597 nan 8.290 nan 0.000 0.410 281 E N 0.270 120.527 120.200 0.095 0.000 2.187 281 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 281 E C 1.587 178.250 176.600 0.104 0.000 1.004 281 E CA 1.344 57.795 56.400 0.086 0.000 0.813 281 E CB -0.501 29.250 29.700 0.086 0.000 0.736 281 E HN 0.390 nan 8.360 nan 0.000 0.468 282 F N 1.109 121.068 119.950 0.016 0.000 2.293 282 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 282 F C 1.809 177.600 175.800 -0.015 0.000 1.086 282 F CA 1.133 59.134 58.000 0.001 0.000 1.375 282 F CB 0.133 39.097 39.000 -0.060 0.000 1.045 282 F HN -0.101 nan 8.300 nan 0.000 0.516 283 R N 0.338 120.861 120.500 0.040 0.000 2.152 283 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 283 R C 0.402 176.661 176.300 -0.067 0.000 1.117 283 R CA 0.837 56.930 56.100 -0.013 0.000 0.981 283 R CB -0.374 29.941 30.300 0.025 0.000 0.870 283 R HN 0.216 nan 8.270 nan 0.000 0.451 284 K N 0.885 121.242 120.400 -0.072 0.000 2.156 284 K HA 0.232 4.552 4.320 -0.000 0.000 0.271 284 K C 0.820 177.351 176.600 -0.116 0.000 0.995 284 K CA -0.543 55.702 56.287 -0.070 0.000 0.890 284 K CB 1.387 33.866 32.500 -0.036 0.000 1.073 284 K HN -0.086 nan 8.250 nan 0.000 0.454 285 R N 1.631 122.072 120.500 -0.098 0.000 2.185 285 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 285 R C 1.618 177.868 176.300 -0.084 0.000 1.159 285 R CA 1.550 57.588 56.100 -0.103 0.000 0.988 285 R CB 0.016 30.273 30.300 -0.071 0.000 0.871 285 R HN 0.667 nan 8.270 nan 0.000 0.458 286 E N -0.092 120.072 120.200 -0.059 0.000 2.031 286 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 286 E C 2.000 178.586 176.600 -0.023 0.000 0.994 286 E CA 1.759 58.139 56.400 -0.033 0.000 0.800 286 E CB -0.605 29.083 29.700 -0.020 0.000 0.752 286 E HN 0.341 nan 8.360 nan 0.000 0.447 287 G N 0.380 109.158 108.800 -0.036 0.000 2.446 287 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 287 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 287 G C 1.610 176.500 174.900 -0.017 0.000 1.168 287 G CA 1.066 46.167 45.100 0.001 0.000 0.771 287 G HN 0.213 nan 8.290 nan 0.000 0.551 288 R N -0.182 120.182 120.500 -0.226 0.000 2.080 288 R HA -0.063 4.277 4.340 -0.000 0.000 0.236 288 R C 2.673 179.058 176.300 0.142 0.000 1.137 288 R CA 1.431 57.445 56.100 -0.143 0.000 0.943 288 R CB -0.462 29.695 30.300 -0.240 0.000 0.846 288 R HN 0.271 nan 8.270 nan 0.000 0.431 289 R N 1.121 121.630 120.500 0.015 0.000 2.103 289 R HA -0.263 4.077 4.340 -0.000 0.000 0.242 289 R C 2.351 178.699 176.300 0.080 0.000 1.142 289 R CA 2.113 58.217 56.100 0.006 0.000 0.960 289 R CB -0.152 30.128 30.300 -0.032 0.000 0.858 289 R HN 0.188 nan 8.270 nan 0.000 0.439 290 Q N 0.367 120.221 119.800 0.089 0.000 1.998 290 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 290 Q C 1.892 178.000 176.000 0.180 0.000 1.002 290 Q CA 2.774 58.645 55.803 0.112 0.000 0.858 290 Q CB -0.543 28.254 28.738 0.098 0.000 0.932 290 Q HN 0.424 nan 8.270 nan 0.000 0.416 291 A N 0.605 123.585 122.820 0.267 0.000 1.859 291 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 291 A C 2.420 180.228 177.584 0.373 0.000 1.198 291 A CA 2.689 54.931 52.037 0.341 0.000 0.629 291 A CB -1.674 17.629 19.000 0.506 0.000 0.830 291 A HN 0.706 nan 8.150 nan 0.000 0.446 292 A N -0.744 122.372 122.820 0.493 0.000 1.971 292 A HA -0.077 4.243 4.320 -0.000 0.000 0.222 292 A C 2.430 180.128 177.584 0.189 0.000 1.182 292 A CA 2.481 54.789 52.037 0.451 0.000 0.649 292 A CB -1.555 17.508 19.000 0.105 0.000 0.818 292 A HN 0.911 nan 8.150 nan 0.000 0.458 293 G N -0.086 108.811 108.800 0.162 0.000 2.433 293 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 293 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 293 G C 1.346 176.358 174.900 0.186 0.000 1.186 293 G CA 0.988 46.215 45.100 0.211 0.000 0.779 293 G HN 0.585 nan 8.290 nan 0.000 0.543 294 N N 0.820 119.622 118.700 0.169 0.000 2.094 294 N HA -0.108 4.632 4.740 -0.000 0.000 0.191 294 N C 2.235 177.771 175.510 0.043 0.000 1.023 294 N CA 1.009 54.128 53.050 0.115 0.000 0.857 294 N CB -0.481 38.075 38.487 0.115 0.000 1.013 294 N HN 0.339 nan 8.380 nan 0.000 0.426 295 L N 0.636 121.904 121.223 0.075 0.000 2.044 295 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 295 L C 2.254 179.056 176.870 -0.114 0.000 1.075 295 L CA 0.756 55.599 54.840 0.005 0.000 0.747 295 L CB -0.399 41.762 42.059 0.170 0.000 0.903 295 L HN 0.055 nan 8.230 nan 0.000 0.435 296 I N -0.520 119.985 120.570 -0.108 0.000 2.264 296 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 296 I C 2.834 178.656 176.117 -0.491 0.000 1.111 296 I CA 1.400 62.459 61.300 -0.403 0.000 1.382 296 I CB -0.382 37.248 38.000 -0.617 0.000 1.060 296 I HN 0.271 nan 8.210 nan 0.000 0.418 297 S N 0.369 115.945 115.700 -0.206 0.000 2.419 297 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 297 S C 1.889 176.421 174.600 -0.114 0.000 1.019 297 S CA 1.342 59.550 58.200 0.012 0.000 0.982 297 S CB -0.034 63.261 63.200 0.160 0.000 0.789 297 S HN 0.416 nan 8.310 nan 0.000 0.490 298 Q N -0.279 119.375 119.800 -0.243 0.000 2.319 298 Q HA 0.302 4.642 4.340 -0.000 0.000 0.209 298 Q C 1.266 177.043 176.000 -0.372 0.000 0.884 298 Q CA 0.683 56.292 55.803 -0.322 0.000 0.938 298 Q CB 0.371 28.767 28.738 -0.570 0.000 1.098 298 Q HN 0.685 nan 8.270 nan 0.000 0.517 299 G N 1.614 110.088 108.800 -0.544 0.000 2.165 299 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 299 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 299 G C -0.085 174.587 174.900 -0.380 0.000 1.035 299 G CA -0.134 44.492 45.100 -0.790 0.000 0.744 299 G HN 0.280 nan 8.290 nan 0.000 0.501 300 I N 1.131 121.502 120.570 -0.332 0.000 2.336 300 I HA 0.408 4.578 4.170 -0.000 0.000 0.292 300 I C 0.074 176.198 176.117 0.011 0.000 0.991 300 I CA -0.596 60.629 61.300 -0.126 0.000 1.227 300 I CB 1.520 39.401 38.000 -0.199 0.000 1.366 300 I HN 0.220 nan 8.210 nan 0.000 0.466 301 D N 4.948 125.365 120.400 0.028 0.000 2.692 301 D HA 0.344 4.984 4.640 -0.000 0.000 0.290 301 D C -0.412 175.739 176.300 -0.247 0.000 1.455 301 D CA -0.164 53.789 54.000 -0.079 0.000 0.796 301 D CB 0.872 41.762 40.800 0.149 0.000 1.131 301 D HN 0.380 nan 8.370 nan 0.000 0.467 302 A N 0.569 123.260 122.820 -0.215 0.000 2.429 302 A HA 0.574 4.894 4.320 -0.000 0.000 0.289 302 A C -1.869 175.590 177.584 -0.209 0.000 1.043 302 A CA -0.773 51.104 52.037 -0.267 0.000 0.722 302 A CB 1.452 20.331 19.000 -0.203 0.000 1.243 302 A HN 0.151 nan 8.150 nan 0.000 0.415 303 L N 3.451 124.529 121.223 -0.242 0.000 2.325 303 L HA 0.686 5.026 4.340 -0.000 0.000 0.281 303 L C -1.066 175.708 176.870 -0.159 0.000 1.004 303 L CA -0.362 54.374 54.840 -0.173 0.000 0.823 303 L CB 1.884 43.850 42.059 -0.155 0.000 1.236 303 L HN 0.416 nan 8.230 nan 0.000 0.415 304 V N 6.310 126.145 119.914 -0.131 0.000 2.318 304 V HA 0.407 4.527 4.120 -0.000 0.000 0.271 304 V C -0.168 175.853 176.094 -0.121 0.000 1.030 304 V CA -0.613 61.621 62.300 -0.110 0.000 0.844 304 V CB 1.351 33.121 31.823 -0.089 0.000 1.015 304 V HN 0.498 nan 8.190 nan 0.000 0.460 305 V N 4.526 124.372 119.914 -0.113 0.000 2.394 305 V HA 0.342 4.462 4.120 -0.000 0.000 0.282 305 V C 0.116 176.151 176.094 -0.098 0.000 1.031 305 V CA -0.443 61.774 62.300 -0.138 0.000 0.881 305 V CB 1.590 33.335 31.823 -0.131 0.000 0.982 305 V HN 0.989 nan 8.190 nan 0.000 0.451 306 C N 5.281 124.513 119.300 -0.113 0.000 2.335 306 C HA 0.942 5.402 4.460 -0.000 0.000 0.318 306 C C 0.433 175.374 174.990 -0.082 0.000 1.150 306 C CA 0.453 59.421 59.018 -0.084 0.000 1.466 306 C CB -0.789 26.902 27.740 -0.082 0.000 2.024 306 C HN 1.169 nan 8.230 nan 0.000 0.429 307 G N 3.326 112.092 108.800 -0.056 0.000 2.494 307 G HA2 0.612 4.572 3.960 -0.000 0.000 0.308 307 G HA3 0.612 4.572 3.960 -0.000 0.000 0.308 307 G C -0.052 174.836 174.900 -0.020 0.000 1.263 307 G CA 0.032 45.106 45.100 -0.044 0.000 0.840 307 G HN 1.208 nan 8.290 nan 0.000 0.479 308 G N -0.553 108.242 108.800 -0.008 0.000 2.732 308 G HA2 0.335 4.295 3.960 -0.000 0.000 0.244 308 G HA3 0.335 4.295 3.960 -0.000 0.000 0.244 308 G C 1.092 176.001 174.900 0.015 0.000 1.226 308 G CA 1.030 46.131 45.100 0.002 0.000 0.860 308 G HN 0.826 nan 8.290 nan 0.000 0.583 309 D N 0.330 120.739 120.400 0.015 0.000 2.133 309 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 309 D C 2.183 178.509 176.300 0.042 0.000 0.997 309 D CA 1.875 55.889 54.000 0.024 0.000 0.840 309 D CB -0.915 39.899 40.800 0.022 0.000 0.947 309 D HN 0.448 nan 8.370 nan 0.000 0.452 310 G N 0.690 109.518 108.800 0.047 0.000 2.639 310 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.216 310 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.216 310 G C 1.915 176.866 174.900 0.085 0.000 1.267 310 G CA 2.154 47.290 45.100 0.061 0.000 0.801 310 G HN 0.405 nan 8.290 nan 0.000 0.592 311 S N 0.756 116.521 115.700 0.108 0.000 2.409 311 S HA -0.181 4.289 4.470 -0.000 0.000 0.237 311 S C 2.313 177.011 174.600 0.164 0.000 1.060 311 S CA 1.481 59.795 58.200 0.191 0.000 1.052 311 S CB -0.398 62.877 63.200 0.125 0.000 0.871 311 S HN 0.332 nan 8.310 nan 0.000 0.465 312 L N 0.811 122.090 121.223 0.093 0.000 2.046 312 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 312 L C 2.722 179.653 176.870 0.101 0.000 1.077 312 L CA 1.369 56.257 54.840 0.080 0.000 0.747 312 L CB -1.310 40.779 42.059 0.049 0.000 0.896 312 L HN 0.339 nan 8.230 nan 0.000 0.432 313 T N -0.260 114.351 114.554 0.095 0.000 2.614 313 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 313 T C 1.885 176.659 174.700 0.123 0.000 1.055 313 T CA 1.432 63.589 62.100 0.096 0.000 1.162 313 T CB -0.873 68.040 68.868 0.076 0.000 0.863 313 T HN 0.525 nan 8.240 nan 0.000 0.414 314 G N 1.216 110.084 108.800 0.113 0.000 2.517 314 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.222 314 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.222 314 G C 1.714 176.738 174.900 0.206 0.000 1.109 314 G CA 1.021 46.189 45.100 0.112 0.000 0.746 314 G HN 0.624 nan 8.290 nan 0.000 0.576 315 A N 0.189 123.150 122.820 0.236 0.000 2.067 315 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 315 A C 1.996 179.734 177.584 0.256 0.000 1.158 315 A CA 1.987 54.182 52.037 0.264 0.000 0.661 315 A CB -0.228 18.880 19.000 0.181 0.000 0.801 315 A HN 0.376 nan 8.150 nan 0.000 0.452 316 D N -0.568 119.961 120.400 0.215 0.000 2.149 316 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 316 D C 1.606 178.061 176.300 0.259 0.000 0.967 316 D CA 0.637 54.762 54.000 0.208 0.000 0.848 316 D CB -0.120 40.792 40.800 0.187 0.000 0.998 316 D HN 0.181 nan 8.370 nan 0.000 0.474 317 L N 0.108 121.479 121.223 0.246 0.000 2.189 317 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 317 L C 2.061 179.095 176.870 0.274 0.000 1.097 317 L CA 1.105 56.082 54.840 0.229 0.000 0.764 317 L CB -0.871 41.290 42.059 0.171 0.000 0.900 317 L HN 0.120 nan 8.230 nan 0.000 0.436 318 F N 0.215 120.270 119.950 0.175 0.000 2.074 318 F HA -0.156 4.371 4.527 -0.000 0.000 0.293 318 F C 2.837 178.749 175.800 0.187 0.000 1.116 318 F CA 1.556 59.681 58.000 0.208 0.000 1.212 318 F CB -0.248 38.919 39.000 0.278 0.000 0.998 318 F HN -0.085 nan 8.300 nan 0.000 0.471 319 R N -0.762 119.860 120.500 0.204 0.000 2.096 319 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 319 R C 0.475 176.793 176.300 0.029 0.000 1.127 319 R CA 1.220 57.327 56.100 0.011 0.000 0.968 319 R CB -0.523 29.753 30.300 -0.041 0.000 0.861 319 R HN 0.221 nan 8.270 nan 0.000 0.440 320 H N 0.260 119.389 119.070 0.097 0.000 2.855 320 H HA 0.079 4.635 4.556 -0.000 0.000 0.238 320 H C -0.069 175.290 175.328 0.051 0.000 1.847 320 H CA 0.658 56.752 56.048 0.076 0.000 1.368 320 H CB 0.269 30.074 29.762 0.072 0.000 1.758 320 H HN 0.502 nan 8.280 nan 0.000 0.546 321 E N 0.840 121.128 120.200 0.148 0.000 1.379 321 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 321 E C 0.462 177.062 176.600 0.000 0.000 0.755 321 E CA -0.151 56.280 56.400 0.051 0.000 1.015 321 E CB -1.049 28.662 29.700 0.019 0.000 4.096 321 E HN 0.344 nan 8.360 nan 0.000 0.558 322 W N 1.886 123.057 121.300 -0.214 0.000 2.413 322 W HA 0.145 4.805 4.660 -0.000 0.000 0.315 322 W C -1.371 175.060 176.519 -0.146 0.000 1.186 322 W CA 2.600 59.782 57.345 -0.272 0.000 1.326 322 W CB -1.155 28.160 29.460 -0.242 0.000 1.153 322 W HN 0.173 nan 8.180 nan 0.000 0.489 323 P HA -0.294 nan 4.420 nan 0.000 0.216 323 P C 1.968 179.205 177.300 -0.105 0.000 1.154 323 P CA 3.083 66.167 63.100 -0.027 0.000 0.865 323 P CB -0.446 31.290 31.700 0.060 0.000 0.789 324 S N -0.587 115.076 115.700 -0.062 0.000 2.369 324 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 324 S C 1.899 176.422 174.600 -0.127 0.000 1.043 324 S CA 1.554 59.710 58.200 -0.072 0.000 1.074 324 S CB -1.298 61.875 63.200 -0.044 0.000 0.962 324 S HN 0.012 nan 8.310 nan 0.000 0.433 325 L N 1.077 122.190 121.223 -0.184 0.000 2.265 325 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 325 L C 2.509 179.208 176.870 -0.284 0.000 1.117 325 L CA 0.725 55.430 54.840 -0.224 0.000 0.782 325 L CB -0.499 41.394 42.059 -0.276 0.000 0.914 325 L HN 0.290 nan 8.230 nan 0.000 0.441 326 V N -0.432 119.254 119.914 -0.381 0.000 2.427 326 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 326 V C 2.082 178.058 176.094 -0.197 0.000 1.051 326 V CA 1.594 63.656 62.300 -0.396 0.000 1.048 326 V CB -0.413 31.125 31.823 -0.476 0.000 0.666 326 V HN 0.438 nan 8.190 nan 0.000 0.456 327 D N 0.111 120.425 120.400 -0.142 0.000 2.084 327 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 327 D C 2.133 178.397 176.300 -0.060 0.000 0.990 327 D CA 1.428 55.380 54.000 -0.080 0.000 0.826 327 D CB -0.183 40.580 40.800 -0.062 0.000 0.971 327 D HN 0.486 nan 8.370 nan 0.000 0.453 328 E N 0.458 120.617 120.200 -0.069 0.000 2.086 328 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 328 E C 2.342 178.926 176.600 -0.027 0.000 1.012 328 E CA 0.856 57.227 56.400 -0.049 0.000 0.812 328 E CB -0.212 29.454 29.700 -0.058 0.000 0.743 328 E HN 0.266 nan 8.360 nan 0.000 0.453 329 L N -0.081 121.130 121.223 -0.021 0.000 2.141 329 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 329 L C 2.321 179.239 176.870 0.081 0.000 1.094 329 L CA 0.557 55.433 54.840 0.060 0.000 0.763 329 L CB -0.473 41.670 42.059 0.140 0.000 0.908 329 L HN 0.084 nan 8.230 nan 0.000 0.437 330 V N 0.037 119.976 119.914 0.041 0.000 2.295 330 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 330 V C 2.421 178.525 176.094 0.017 0.000 1.049 330 V CA 1.613 63.938 62.300 0.042 0.000 1.024 330 V CB -1.088 30.739 31.823 0.007 0.000 0.648 330 V HN 0.452 nan 8.190 nan 0.000 0.447 331 A N 1.006 123.825 122.820 -0.002 0.000 3.289 331 A HA -0.089 4.231 4.320 -0.000 0.000 0.157 331 A C 1.044 178.619 177.584 -0.015 0.000 1.293 331 A CA 0.615 52.646 52.037 -0.011 0.000 0.896 331 A CB -0.971 18.019 19.000 -0.018 0.000 0.998 331 A HN 0.731 nan 8.150 nan 0.000 0.519 332 E N 0.345 120.533 120.200 -0.021 0.000 3.446 332 E HA 0.190 4.540 4.350 -0.000 0.000 0.221 332 E C 0.975 177.551 176.600 -0.039 0.000 1.014 332 E CA 0.368 56.751 56.400 -0.028 0.000 0.913 332 E CB -1.645 28.039 29.700 -0.027 0.000 0.913 332 E HN 1.328 nan 8.360 nan 0.000 0.561 333 G N 3.959 112.732 108.800 -0.046 0.000 2.674 333 G HA2 -0.581 3.379 3.960 -0.000 0.000 0.367 333 G HA3 -0.581 3.379 3.960 -0.000 0.000 0.367 333 G C 1.079 175.917 174.900 -0.104 0.000 1.087 333 G CA 1.968 47.026 45.100 -0.071 0.000 0.898 333 G HN 0.908 nan 8.290 nan 0.000 0.652 334 R N -1.825 118.567 120.500 -0.179 0.000 3.570 334 R HA -0.258 4.082 4.340 -0.000 0.000 0.400 334 R C 0.439 176.370 176.300 -0.614 0.000 0.601 334 R CA 2.723 58.602 56.100 -0.368 0.000 0.561 334 R CB -1.444 28.767 30.300 -0.148 0.000 0.620 334 R HN 0.829 nan 8.270 nan 0.000 0.312 335 F N -0.481 119.446 119.950 -0.038 0.000 2.563 335 F HA 0.353 4.880 4.527 -0.000 0.000 0.316 335 F C 0.348 176.133 175.800 -0.025 0.000 1.076 335 F CA -0.193 57.789 58.000 -0.030 0.000 0.921 335 F CB 1.877 40.854 39.000 -0.038 0.000 1.209 335 F HN 0.346 nan 8.300 nan 0.000 0.462 336 T N -1.307 113.359 114.554 0.186 0.000 2.860 336 T HA 0.135 4.485 4.350 -0.000 0.000 0.299 336 T C 1.062 175.819 174.700 0.094 0.000 1.045 336 T CA -0.561 61.599 62.100 0.101 0.000 1.071 336 T CB 1.253 70.170 68.868 0.081 0.000 0.985 336 T HN 0.661 nan 8.240 nan 0.000 0.537 337 K N 0.732 121.163 120.400 0.051 0.000 2.209 337 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 337 K C 2.055 178.674 176.600 0.032 0.000 1.048 337 K CA 1.597 57.902 56.287 0.030 0.000 0.940 337 K CB -0.466 32.043 32.500 0.015 0.000 0.729 337 K HN 0.793 nan 8.250 nan 0.000 0.451 338 E N 0.889 121.115 120.200 0.042 0.000 2.047 338 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 338 E C 1.439 178.074 176.600 0.060 0.000 0.987 338 E CA 1.764 58.188 56.400 0.041 0.000 0.799 338 E CB -0.026 29.698 29.700 0.041 0.000 0.752 338 E HN 0.504 nan 8.360 nan 0.000 0.449 339 E N -0.311 119.949 120.200 0.099 0.000 2.028 339 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 339 E C 1.924 178.602 176.600 0.129 0.000 0.988 339 E CA 1.159 57.644 56.400 0.143 0.000 0.799 339 E CB -0.234 29.600 29.700 0.223 0.000 0.755 339 E HN 0.099 nan 8.360 nan 0.000 0.447 340 V N 1.152 121.103 119.914 0.061 0.000 3.546 340 V HA -0.116 4.004 4.120 -0.000 0.000 0.272 340 V C 1.552 177.652 176.094 0.010 0.000 1.228 340 V CA 0.856 63.148 62.300 -0.013 0.000 1.184 340 V CB -0.866 30.906 31.823 -0.084 0.000 0.886 340 V HN 0.313 nan 8.190 nan 0.000 0.508 341 A N 1.993 124.820 122.820 0.011 0.000 1.821 341 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 341 A C 0.717 178.246 177.584 -0.093 0.000 1.214 341 A CA 1.591 53.608 52.037 -0.033 0.000 0.608 341 A CB -1.789 17.191 19.000 -0.033 0.000 0.862 341 A HN 0.580 nan 8.150 nan 0.000 0.448 342 P HA -0.155 nan 4.420 nan 0.000 0.218 342 P C 0.174 177.231 177.300 -0.405 0.000 1.149 342 P CA 1.089 63.949 63.100 -0.401 0.000 0.817 342 P CB -0.291 31.021 31.700 -0.646 0.000 0.785 343 Y N 0.140 120.472 120.300 0.052 0.000 2.740 343 Y HA 0.212 4.762 4.550 -0.000 0.000 0.356 343 Y C 2.362 178.410 175.900 0.247 0.000 1.101 343 Y CA -0.296 57.894 58.100 0.151 0.000 1.477 343 Y CB -0.513 37.999 38.460 0.087 0.000 1.296 343 Y HN -0.062 nan 8.280 nan 0.000 0.507 344 K N 0.889 121.422 120.400 0.221 0.000 2.001 344 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 344 K C -0.193 176.656 176.600 0.415 0.000 1.048 344 K CA 1.120 57.524 56.287 0.194 0.000 0.932 344 K CB 0.127 32.676 32.500 0.083 0.000 0.715 344 K HN 0.343 nan 8.250 nan 0.000 0.437 345 N N 0.146 119.067 118.700 0.368 0.000 2.417 345 N HA 0.264 5.004 4.740 -0.000 0.000 0.300 345 N C -1.395 174.136 175.510 0.035 0.000 1.102 345 N CA -0.533 52.697 53.050 0.299 0.000 0.886 345 N CB 1.879 40.454 38.487 0.148 0.000 1.203 345 N HN 0.001 nan 8.380 nan 0.000 0.496 346 L N 0.821 121.909 121.223 -0.224 0.000 2.334 346 L HA 0.466 4.806 4.340 -0.000 0.000 0.277 346 L C -0.447 176.194 176.870 -0.382 0.000 1.075 346 L CA -0.371 54.065 54.840 -0.674 0.000 0.804 346 L CB 1.075 42.539 42.059 -0.992 0.000 1.174 346 L HN 0.548 nan 8.230 nan 0.000 0.438 347 S N 4.968 120.347 115.700 -0.534 0.000 2.437 347 S HA 0.609 5.079 4.470 -0.000 0.000 0.305 347 S C -0.441 173.678 174.600 -0.801 0.000 1.109 347 S CA -0.450 57.167 58.200 -0.971 0.000 1.099 347 S CB 1.278 63.873 63.200 -1.010 0.000 1.004 347 S HN 0.366 nan 8.310 nan 0.000 0.475 348 I N 3.239 123.384 120.570 -0.708 0.000 2.499 348 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 348 I C -1.147 174.956 176.117 -0.024 0.000 1.048 348 I CA -0.774 60.387 61.300 -0.231 0.000 1.062 348 I CB 1.975 39.955 38.000 -0.033 0.000 1.238 348 I HN 0.287 nan 8.210 nan 0.000 0.426 349 V N 4.779 124.661 119.914 -0.053 0.000 2.588 349 V HA 0.666 4.786 4.120 -0.000 0.000 0.304 349 V C 0.367 176.464 176.094 0.005 0.000 1.042 349 V CA -0.562 61.760 62.300 0.035 0.000 0.877 349 V CB 1.762 33.596 31.823 0.018 0.000 0.996 349 V HN 0.856 nan 8.190 nan 0.000 0.425 350 G N 3.788 112.604 108.800 0.027 0.000 2.410 350 G HA2 0.768 4.728 3.960 -0.000 0.000 0.330 350 G HA3 0.768 4.728 3.960 -0.000 0.000 0.330 350 G C -1.171 173.725 174.900 -0.007 0.000 1.142 350 G CA -0.624 44.479 45.100 0.006 0.000 0.902 350 G HN 0.563 nan 8.290 nan 0.000 0.491 351 L N 1.201 122.410 121.223 -0.024 0.000 2.410 351 L HA 0.320 4.660 4.340 -0.000 0.000 0.270 351 L C -0.557 176.294 176.870 -0.031 0.000 0.983 351 L CA -1.066 53.754 54.840 -0.032 0.000 0.822 351 L CB 2.494 44.524 42.059 -0.049 0.000 1.285 351 L HN 0.211 nan 8.230 nan 0.000 0.409 352 V N 2.139 122.036 119.914 -0.027 0.000 2.356 352 V HA 0.300 4.420 4.120 -0.000 0.000 0.258 352 V C 0.832 176.906 176.094 -0.033 0.000 1.065 352 V CA -0.341 61.942 62.300 -0.027 0.000 0.935 352 V CB 0.742 32.548 31.823 -0.027 0.000 1.061 352 V HN 0.883 nan 8.190 nan 0.000 0.484 353 G N 3.105 111.885 108.800 -0.034 0.000 2.504 353 G HA2 0.542 4.502 3.960 -0.000 0.000 0.326 353 G HA3 0.542 4.502 3.960 -0.000 0.000 0.326 353 G C -0.329 174.553 174.900 -0.030 0.000 1.073 353 G CA -0.179 44.901 45.100 -0.033 0.000 1.030 353 G HN 0.715 nan 8.290 nan 0.000 0.448 354 S N 1.605 117.285 115.700 -0.033 0.000 2.543 354 S HA 0.263 4.733 4.470 -0.000 0.000 0.274 354 S C 0.761 175.336 174.600 -0.042 0.000 1.149 354 S CA -0.653 57.527 58.200 -0.034 0.000 0.866 354 S CB 0.933 64.110 63.200 -0.038 0.000 1.111 354 S HN 0.866 nan 8.310 nan 0.000 0.457 355 I N 0.072 120.627 120.570 -0.025 0.000 3.578 355 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 355 I C 0.625 176.736 176.117 -0.011 0.000 1.280 355 I CA 0.346 61.638 61.300 -0.013 0.000 1.347 355 I CB -0.101 37.907 38.000 0.013 0.000 1.051 355 I HN 0.376 nan 8.210 nan 0.000 0.460 356 D N 1.600 121.985 120.400 -0.025 0.000 2.289 356 D HA -0.128 4.512 4.640 -0.000 0.000 0.207 356 D C 0.698 176.964 176.300 -0.056 0.000 0.966 356 D CA 0.586 54.587 54.000 0.000 0.000 0.868 356 D CB -0.384 40.414 40.800 -0.004 0.000 0.943 356 D HN 0.432 nan 8.370 nan 0.000 0.514 357 N N 1.881 120.470 118.700 -0.184 0.000 2.716 357 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 357 N C -0.766 174.627 175.510 -0.196 0.000 1.033 357 N CA 0.852 53.697 53.050 -0.341 0.000 0.727 357 N CB -0.834 37.127 38.487 -0.877 0.000 0.950 357 N HN 0.246 nan 8.380 nan 0.000 0.541 358 D N -1.302 119.041 120.400 -0.093 0.000 2.525 358 D HA 0.074 4.714 4.640 -0.000 0.000 0.229 358 D C 0.152 176.425 176.300 -0.045 0.000 1.202 358 D CA -0.175 53.797 54.000 -0.046 0.000 0.828 358 D CB -0.093 40.705 40.800 -0.003 0.000 1.008 358 D HN 0.257 nan 8.370 nan 0.000 0.493 359 M N 1.589 121.152 119.600 -0.063 0.000 2.385 359 M HA 0.149 4.629 4.480 -0.000 0.000 0.346 359 M C -0.111 176.166 176.300 -0.037 0.000 1.180 359 M CA -0.365 54.911 55.300 -0.040 0.000 1.154 359 M CB 0.838 33.416 32.600 -0.038 0.000 1.251 359 M HN -0.030 nan 8.290 nan 0.000 0.430 360 S N 1.591 117.272 115.700 -0.031 0.000 2.593 360 S HA 0.274 4.744 4.470 -0.000 0.000 0.300 360 S C 1.250 175.845 174.600 -0.009 0.000 1.267 360 S CA 1.785 59.971 58.200 -0.024 0.000 1.065 360 S CB 0.184 63.371 63.200 -0.022 0.000 0.807 360 S HN 1.010 nan 8.310 nan 0.000 0.499 361 G N 2.872 111.672 108.800 0.000 0.000 2.796 361 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.198 361 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.198 361 G C 0.297 175.207 174.900 0.017 0.000 1.062 361 G CA 0.162 45.269 45.100 0.011 0.000 0.752 361 G HN 1.107 nan 8.290 nan 0.000 0.487 362 T N 0.304 114.861 114.554 0.006 0.000 2.856 362 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 362 T C 0.395 175.099 174.700 0.006 0.000 1.008 362 T CA 0.199 62.307 62.100 0.014 0.000 0.997 362 T CB 1.583 70.453 68.868 0.004 0.000 0.992 362 T HN -0.020 nan 8.240 nan 0.000 0.454 363 D N 1.746 122.171 120.400 0.041 0.000 2.269 363 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 363 D C 0.291 176.576 176.300 -0.025 0.000 0.963 363 D CA 0.892 54.921 54.000 0.047 0.000 0.864 363 D CB 0.421 41.294 40.800 0.120 0.000 0.936 363 D HN 0.424 nan 8.370 nan 0.000 0.505 364 S N -0.600 115.089 115.700 -0.017 0.000 2.566 364 S HA 0.343 4.813 4.470 -0.000 0.000 0.273 364 S C -0.736 173.831 174.600 -0.055 0.000 1.157 364 S CA -0.783 57.374 58.200 -0.072 0.000 0.938 364 S CB 1.426 64.750 63.200 0.207 0.000 1.087 364 S HN 0.061 nan 8.310 nan 0.000 0.474 365 T N 2.467 116.926 114.554 -0.158 0.000 2.867 365 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 365 T C 0.399 175.079 174.700 -0.033 0.000 1.000 365 T CA -0.810 61.236 62.100 -0.090 0.000 1.042 365 T CB 0.432 69.225 68.868 -0.125 0.000 0.973 365 T HN 0.623 nan 8.240 nan 0.000 0.465 366 I N 2.887 123.459 120.570 0.003 0.000 2.828 366 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 366 I C 1.641 177.774 176.117 0.027 0.000 1.206 366 I CA 1.342 62.664 61.300 0.037 0.000 1.420 366 I CB -0.295 37.708 38.000 0.005 0.000 1.368 366 I HN 1.182 nan 8.210 nan 0.000 0.556 367 G N 4.301 113.145 108.800 0.075 0.000 2.254 367 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.225 367 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.225 367 G C 1.071 176.000 174.900 0.050 0.000 1.003 367 G CA 0.388 45.524 45.100 0.060 0.000 0.622 367 G HN 0.769 nan 8.290 nan 0.000 0.507 368 A N -0.080 122.723 122.820 -0.028 0.000 1.883 368 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 368 A C 1.943 179.552 177.584 0.041 0.000 1.186 368 A CA 2.225 54.197 52.037 -0.108 0.000 0.624 368 A CB -0.604 18.085 19.000 -0.519 0.000 0.822 368 A HN 0.781 nan 8.150 nan 0.000 0.444 369 Y N 0.288 120.626 120.300 0.064 0.000 2.352 369 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 369 Y C 3.016 178.969 175.900 0.088 0.000 1.136 369 Y CA 1.215 59.374 58.100 0.099 0.000 1.227 369 Y CB 0.024 38.435 38.460 -0.081 0.000 0.991 369 Y HN 0.314 nan 8.280 nan 0.000 0.545 370 S N -0.242 115.596 115.700 0.230 0.000 2.345 370 S HA -0.218 4.252 4.470 -0.000 0.000 0.220 370 S C 2.334 177.002 174.600 0.114 0.000 1.031 370 S CA 0.994 59.283 58.200 0.149 0.000 0.996 370 S CB -0.614 62.654 63.200 0.113 0.000 0.882 370 S HN 0.531 nan 8.310 nan 0.000 0.445 371 A N 1.658 124.540 122.820 0.104 0.000 1.883 371 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 371 A C 2.128 179.760 177.584 0.081 0.000 1.186 371 A CA 1.634 53.718 52.037 0.078 0.000 0.624 371 A CB -0.917 18.126 19.000 0.071 0.000 0.822 371 A HN 0.415 nan 8.150 nan 0.000 0.444 372 L N 0.008 121.303 121.223 0.121 0.000 1.971 372 L HA -0.223 4.117 4.340 -0.000 0.000 0.215 372 L C 2.270 179.171 176.870 0.051 0.000 1.072 372 L CA 2.989 57.874 54.840 0.075 0.000 0.758 372 L CB -0.930 41.189 42.059 0.099 0.000 0.889 372 L HN 0.477 nan 8.230 nan 0.000 0.433 373 E N -0.414 119.837 120.200 0.086 0.000 2.114 373 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 373 E C 2.337 178.947 176.600 0.017 0.000 1.008 373 E CA 1.453 57.881 56.400 0.047 0.000 0.810 373 E CB -0.195 29.541 29.700 0.060 0.000 0.739 373 E HN 0.301 nan 8.360 nan 0.000 0.456 374 R N -0.042 120.477 120.500 0.032 0.000 2.081 374 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 374 R C 2.366 178.673 176.300 0.011 0.000 1.131 374 R CA 1.405 57.519 56.100 0.024 0.000 0.960 374 R CB -0.605 29.718 30.300 0.038 0.000 0.856 374 R HN 0.319 nan 8.270 nan 0.000 0.436 375 I N -0.628 119.947 120.570 0.009 0.000 2.127 375 I HA -0.427 3.743 4.170 -0.000 0.000 0.241 375 I C 2.233 178.337 176.117 -0.022 0.000 1.075 375 I CA 1.440 62.738 61.300 -0.003 0.000 1.334 375 I CB -0.436 37.555 38.000 -0.015 0.000 1.040 375 I HN 0.213 nan 8.210 nan 0.000 0.405 376 C N 0.475 119.755 119.300 -0.033 0.000 2.398 376 C HA -0.216 4.244 4.460 -0.000 0.000 0.276 376 C C 2.822 177.751 174.990 -0.102 0.000 1.222 376 C CA 1.370 60.357 59.018 -0.052 0.000 1.746 376 C CB -1.098 26.615 27.740 -0.046 0.000 2.039 376 C HN 0.545 nan 8.230 nan 0.000 0.470 377 E N 0.094 120.221 120.200 -0.122 0.000 2.038 377 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 377 E C 2.163 178.567 176.600 -0.326 0.000 1.000 377 E CA 1.475 57.721 56.400 -0.256 0.000 0.803 377 E CB -0.115 29.486 29.700 -0.165 0.000 0.750 377 E HN 0.384 nan 8.360 nan 0.000 0.448 378 M N 0.354 119.910 119.600 -0.074 0.000 2.080 378 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 378 M C 2.414 178.731 176.300 0.028 0.000 1.068 378 M CA 1.013 56.363 55.300 0.084 0.000 1.109 378 M CB -1.046 31.613 32.600 0.099 0.000 1.342 378 M HN 0.105 nan 8.290 nan 0.000 0.405 379 V N 0.584 120.482 119.914 -0.026 0.000 2.343 379 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 379 V C 2.003 178.067 176.094 -0.050 0.000 1.051 379 V CA 1.751 64.034 62.300 -0.028 0.000 1.036 379 V CB -0.874 30.943 31.823 -0.009 0.000 0.654 379 V HN 0.337 nan 8.190 nan 0.000 0.451 380 D N -0.752 119.585 120.400 -0.105 0.000 2.133 380 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 380 D C 2.038 178.276 176.300 -0.103 0.000 0.997 380 D CA 1.707 55.630 54.000 -0.128 0.000 0.840 380 D CB -0.302 40.360 40.800 -0.230 0.000 0.947 380 D HN 0.587 nan 8.370 nan 0.000 0.452 381 Y N 0.903 121.173 120.300 -0.051 0.000 2.089 381 Y HA -0.134 4.416 4.550 -0.000 0.000 0.282 381 Y C 2.675 178.510 175.900 -0.108 0.000 1.139 381 Y CA 0.378 58.440 58.100 -0.063 0.000 1.123 381 Y CB -0.249 38.178 38.460 -0.056 0.000 0.980 381 Y HN -0.104 nan 8.280 nan 0.000 0.493 382 I N 0.178 120.757 120.570 0.015 0.000 2.185 382 I HA -0.400 3.770 4.170 -0.000 0.000 0.246 382 I C 1.857 177.833 176.117 -0.235 0.000 1.088 382 I CA 1.506 62.662 61.300 -0.240 0.000 1.347 382 I CB -0.510 37.268 38.000 -0.371 0.000 1.041 382 I HN 0.316 nan 8.210 nan 0.000 0.415 383 D N 1.013 121.351 120.400 -0.104 0.000 2.133 383 D HA -0.221 4.419 4.640 -0.000 0.000 0.192 383 D C 2.226 178.520 176.300 -0.011 0.000 1.001 383 D CA 1.764 55.744 54.000 -0.034 0.000 0.844 383 D CB -0.276 40.538 40.800 0.023 0.000 0.944 383 D HN 0.423 nan 8.370 nan 0.000 0.447 384 A N 0.009 122.828 122.820 -0.002 0.000 1.873 384 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 384 A C 2.395 179.982 177.584 0.005 0.000 1.193 384 A CA 2.811 54.855 52.037 0.011 0.000 0.629 384 A CB -1.217 17.801 19.000 0.030 0.000 0.826 384 A HN 0.329 nan 8.150 nan 0.000 0.447 385 T N -0.945 113.608 114.554 -0.001 0.000 2.777 385 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 385 T C 1.989 176.761 174.700 0.121 0.000 1.040 385 T CA 1.906 64.034 62.100 0.046 0.000 1.141 385 T CB -0.504 68.411 68.868 0.078 0.000 0.868 385 T HN 0.576 nan 8.240 nan 0.000 0.444 386 A N 1.939 124.806 122.820 0.079 0.000 1.908 386 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 386 A C 2.342 180.046 177.584 0.201 0.000 1.181 386 A CA 2.064 54.266 52.037 0.274 0.000 0.627 386 A CB -0.717 18.403 19.000 0.200 0.000 0.818 386 A HN 0.534 nan 8.150 nan 0.000 0.445 387 K N 0.088 120.550 120.400 0.103 0.000 2.057 387 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 387 K C 2.136 178.758 176.600 0.036 0.000 1.049 387 K CA 1.793 58.125 56.287 0.075 0.000 0.931 387 K CB -0.344 32.186 32.500 0.049 0.000 0.714 387 K HN 0.415 nan 8.250 nan 0.000 0.440 388 S N 0.370 116.052 115.700 -0.029 0.000 2.359 388 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 388 S C 1.476 175.958 174.600 -0.196 0.000 1.035 388 S CA 1.030 59.133 58.200 -0.162 0.000 1.018 388 S CB -0.319 62.690 63.200 -0.318 0.000 0.876 388 S HN 0.445 nan 8.310 nan 0.000 0.448 389 H N 0.698 119.827 119.070 0.100 0.000 2.529 389 H HA 0.347 4.903 4.556 -0.000 0.000 0.277 389 H C 0.493 175.876 175.328 0.092 0.000 1.004 389 H CA 0.068 56.172 56.048 0.093 0.000 1.167 389 H CB -0.128 29.699 29.762 0.109 0.000 1.445 389 H HN 0.179 nan 8.280 nan 0.000 0.554 390 S N 1.223 117.023 115.700 0.167 0.000 3.491 390 S HA -0.221 4.249 4.470 -0.000 0.000 0.371 390 S C 0.785 175.477 174.600 0.153 0.000 0.980 390 S CA 0.498 58.782 58.200 0.141 0.000 1.204 390 S CB -0.915 62.347 63.200 0.103 0.000 0.915 390 S HN 0.513 nan 8.310 nan 0.000 0.482 391 R N 0.412 121.035 120.500 0.206 0.000 2.603 391 R HA 0.797 5.137 4.340 -0.000 0.000 0.231 391 R C 0.123 176.524 176.300 0.169 0.000 1.263 391 R CA -0.233 55.959 56.100 0.155 0.000 1.102 391 R CB 0.654 31.040 30.300 0.142 0.000 1.527 391 R HN 0.317 nan 8.270 nan 0.000 0.554 392 A N 1.022 123.877 122.820 0.059 0.000 2.353 392 A HA 0.600 4.920 4.320 -0.000 0.000 0.299 392 A C -1.418 176.159 177.584 -0.013 0.000 1.089 392 A CA -0.492 51.605 52.037 0.101 0.000 0.736 392 A CB 0.579 19.613 19.000 0.057 0.000 1.195 392 A HN 0.452 nan 8.150 nan 0.000 0.447 393 F N 1.727 121.726 119.950 0.082 0.000 2.436 393 F HA 0.504 5.031 4.527 -0.000 0.000 0.340 393 F C 0.145 175.989 175.800 0.073 0.000 1.113 393 F CA -0.486 57.557 58.000 0.072 0.000 1.022 393 F CB 2.386 41.431 39.000 0.074 0.000 1.128 393 F HN 0.285 nan 8.300 nan 0.000 0.466 394 V N 5.085 125.102 119.914 0.171 0.000 2.318 394 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 394 V C -0.400 175.781 176.094 0.145 0.000 1.030 394 V CA -0.726 61.650 62.300 0.127 0.000 0.844 394 V CB 1.070 32.918 31.823 0.041 0.000 1.015 394 V HN 0.454 nan 8.190 nan 0.000 0.460 395 V N 4.670 124.669 119.914 0.143 0.000 2.370 395 V HA 0.346 4.466 4.120 -0.000 0.000 0.279 395 V C 0.259 176.391 176.094 0.062 0.000 1.029 395 V CA -0.519 61.849 62.300 0.113 0.000 0.870 395 V CB 1.581 33.466 31.823 0.103 0.000 0.984 395 V HN 0.915 nan 8.190 nan 0.000 0.451 396 E N 4.114 124.340 120.200 0.044 0.000 2.146 396 E HA 0.545 4.895 4.350 -0.000 0.000 0.282 396 E C -0.782 175.821 176.600 0.006 0.000 0.989 396 E CA -0.455 55.954 56.400 0.016 0.000 0.799 396 E CB 1.647 31.349 29.700 0.004 0.000 1.088 396 E HN 0.650 nan 8.360 nan 0.000 0.397 397 V N 1.447 121.360 119.914 -0.002 0.000 2.919 397 V HA 0.524 4.644 4.120 -0.000 0.000 0.316 397 V C 0.354 176.436 176.094 -0.021 0.000 1.077 397 V CA -1.124 61.169 62.300 -0.012 0.000 0.977 397 V CB 1.637 33.453 31.823 -0.010 0.000 1.039 397 V HN 0.722 nan 8.190 nan 0.000 0.441 398 M N 1.785 121.364 119.600 -0.035 0.000 2.113 398 M HA 0.533 5.013 4.480 -0.000 0.000 0.288 398 M C 1.200 177.493 176.300 -0.012 0.000 1.225 398 M CA 1.034 56.305 55.300 -0.048 0.000 1.148 398 M CB 0.693 33.246 32.600 -0.078 0.000 1.388 398 M HN 1.210 nan 8.290 nan 0.000 0.469 399 G N -0.465 108.324 108.800 -0.019 0.000 3.732 399 G HA2 0.005 3.965 3.960 -0.000 0.000 0.220 399 G HA3 0.005 3.965 3.960 -0.000 0.000 0.220 399 G C 0.259 175.145 174.900 -0.023 0.000 0.903 399 G CA 0.297 45.408 45.100 0.018 0.000 0.896 399 G HN 0.742 nan 8.290 nan 0.000 0.685 400 R N -0.403 120.038 120.500 -0.098 0.000 3.943 400 R HA -0.299 4.041 4.340 -0.000 0.000 0.368 400 R C 0.367 176.500 176.300 -0.279 0.000 0.242 400 R CA 2.366 58.321 56.100 -0.243 0.000 1.197 400 R CB -1.590 28.601 30.300 -0.182 0.000 0.990 400 R HN 0.431 nan 8.270 nan 0.000 0.565 401 H N -1.166 117.921 119.070 0.027 0.000 2.488 401 H HA 0.379 4.935 4.556 -0.000 0.000 0.294 401 H C -0.463 174.886 175.328 0.035 0.000 1.088 401 H CA 0.310 56.377 56.048 0.030 0.000 1.086 401 H CB -0.259 29.517 29.762 0.024 0.000 1.569 401 H HN 0.345 nan 8.280 nan 0.000 0.548 402 C N 0.178 119.550 119.300 0.119 0.000 2.408 402 C HA 0.586 5.045 4.460 -0.000 0.000 0.321 402 C C 1.785 176.882 174.990 0.178 0.000 1.245 402 C CA -0.371 58.724 59.018 0.129 0.000 1.523 402 C CB 0.377 28.185 27.740 0.112 0.000 2.178 402 C HN 0.642 nan 8.230 nan 0.000 0.488 403 G N 2.366 111.314 108.800 0.247 0.000 3.042 403 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.212 403 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.212 403 G C 1.037 176.119 174.900 0.303 0.000 1.166 403 G CA 0.105 45.358 45.100 0.255 0.000 0.767 403 G HN 0.961 nan 8.290 nan 0.000 0.546 404 W N 0.843 122.339 121.300 0.328 0.000 2.304 404 W HA -0.222 4.438 4.660 0.000 0.000 0.315 404 W C 1.995 178.502 176.519 -0.020 0.000 1.233 404 W CA 1.291 58.770 57.345 0.223 0.000 1.261 404 W CB -0.219 29.362 29.460 0.201 0.000 1.150 404 W HN 0.170 nan 8.180 nan 0.000 0.494 405 L N 0.728 122.073 121.223 0.204 0.000 2.046 405 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 405 L C 2.626 179.388 176.870 -0.180 0.000 1.077 405 L CA 2.425 57.265 54.840 -0.001 0.000 0.747 405 L CB -1.842 40.293 42.059 0.126 0.000 0.896 405 L HN 0.143 nan 8.230 nan 0.000 0.432 406 A N -1.025 121.728 122.820 -0.111 0.000 1.855 406 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 406 A C 2.234 179.640 177.584 -0.297 0.000 1.191 406 A CA 1.706 53.655 52.037 -0.147 0.000 0.613 406 A CB -0.976 17.984 19.000 -0.067 0.000 0.829 406 A HN 0.349 nan 8.150 nan 0.000 0.442 407 L N -0.684 120.328 121.223 -0.352 0.000 2.013 407 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 407 L C 2.397 178.915 176.870 -0.587 0.000 1.073 407 L CA 2.183 56.716 54.840 -0.512 0.000 0.753 407 L CB -0.521 41.187 42.059 -0.586 0.000 0.890 407 L HN 0.333 nan 8.230 nan 0.000 0.432 408 M N -0.841 118.336 119.600 -0.704 0.000 2.099 408 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 408 M C 2.453 178.504 176.300 -0.414 0.000 1.067 408 M CA 1.786 56.686 55.300 -0.667 0.000 1.124 408 M CB -1.674 30.316 32.600 -1.017 0.000 1.353 408 M HN 0.432 nan 8.290 nan 0.000 0.410 409 A N 0.511 123.116 122.820 -0.357 0.000 1.940 409 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 409 A C 2.425 179.885 177.584 -0.206 0.000 1.176 409 A CA 2.110 54.016 52.037 -0.218 0.000 0.631 409 A CB -1.509 17.395 19.000 -0.160 0.000 0.814 409 A HN 0.536 nan 8.150 nan 0.000 0.446 410 G N 0.096 108.702 108.800 -0.323 0.000 2.459 410 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 410 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 410 G C 1.518 176.308 174.900 -0.183 0.000 1.183 410 G CA 1.234 46.094 45.100 -0.400 0.000 0.776 410 G HN 0.501 nan 8.290 nan 0.000 0.552 411 I N 1.287 121.746 120.570 -0.185 0.000 2.315 411 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 411 I C 3.129 179.237 176.117 -0.016 0.000 1.117 411 I CA 0.887 62.203 61.300 0.027 0.000 1.404 411 I CB -0.095 37.885 38.000 -0.033 0.000 1.071 411 I HN 0.237 nan 8.210 nan 0.000 0.419 412 A N 0.290 123.069 122.820 -0.068 0.000 2.119 412 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 412 A C 2.108 179.739 177.584 0.079 0.000 1.153 412 A CA 1.736 53.766 52.037 -0.011 0.000 0.692 412 A CB -0.738 18.229 19.000 -0.055 0.000 0.799 412 A HN 0.504 nan 8.150 nan 0.000 0.458 413 T N -5.413 109.139 114.554 -0.004 0.000 3.044 413 T HA 0.429 4.779 4.350 -0.000 0.000 0.260 413 T C 1.185 175.610 174.700 -0.457 0.000 1.019 413 T CA 0.931 63.016 62.100 -0.025 0.000 0.921 413 T CB 0.203 69.066 68.868 -0.008 0.000 1.053 413 T HN 1.571 nan 8.240 nan 0.000 0.533 414 G N 1.767 110.312 108.800 -0.425 0.000 2.176 414 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.252 414 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.252 414 G C 0.390 175.193 174.900 -0.161 0.000 1.024 414 G CA -0.068 44.749 45.100 -0.471 0.000 0.755 414 G HN 1.207 nan 8.290 nan 0.000 0.507 415 A N -0.565 122.273 122.820 0.030 0.000 2.536 415 A HA 0.402 4.722 4.320 -0.000 0.000 0.234 415 A C 1.305 179.052 177.584 0.273 0.000 1.076 415 A CA 1.042 53.181 52.037 0.170 0.000 0.769 415 A CB 0.287 19.400 19.000 0.188 0.000 1.020 415 A HN 0.339 nan 8.150 nan 0.000 0.508 416 D N -1.416 119.175 120.400 0.318 0.000 2.305 416 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 416 D C -0.722 175.888 176.300 0.517 0.000 0.974 416 D CA 1.495 55.740 54.000 0.409 0.000 0.871 416 D CB 0.220 41.262 40.800 0.403 0.000 0.947 416 D HN 0.515 nan 8.370 nan 0.000 0.516 417 Y N -0.432 120.073 120.300 0.341 0.000 2.638 417 Y HA 0.224 4.774 4.550 -0.000 0.000 0.334 417 Y C -1.358 174.640 175.900 0.163 0.000 1.182 417 Y CA -1.150 57.120 58.100 0.284 0.000 1.102 417 Y CB 1.117 39.658 38.460 0.134 0.000 1.343 417 Y HN -0.244 nan 8.280 nan 0.000 0.463 418 I N -0.713 119.846 120.570 -0.018 0.000 3.239 418 I HA 0.755 4.925 4.170 -0.000 0.000 0.314 418 I C -1.830 174.132 176.117 -0.258 0.000 1.126 418 I CA -1.160 60.076 61.300 -0.107 0.000 0.973 418 I CB 3.016 40.772 38.000 -0.406 0.000 1.252 418 I HN 0.447 nan 8.210 nan 0.000 0.463 419 F N 3.611 123.544 119.950 -0.029 0.000 2.828 419 F HA 0.558 5.085 4.527 -0.000 0.000 0.355 419 F C -0.444 175.316 175.800 -0.066 0.000 1.200 419 F CA -0.517 57.450 58.000 -0.055 0.000 1.062 419 F CB 1.761 40.696 39.000 -0.108 0.000 1.351 419 F HN 0.377 nan 8.300 nan 0.000 0.504 420 I N 1.675 122.273 120.570 0.048 0.000 2.545 420 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 420 I C -2.037 174.086 176.117 0.009 0.000 1.040 420 I CA -2.423 58.905 61.300 0.047 0.000 1.068 420 I CB 2.562 40.598 38.000 0.060 0.000 1.251 420 I HN 0.109 nan 8.210 nan 0.000 0.424 421 P HA -0.212 nan 4.420 nan 0.000 0.216 421 P C 0.854 178.154 177.300 0.000 0.000 1.153 421 P CA 1.635 64.751 63.100 0.027 0.000 0.858 421 P CB 0.194 31.949 31.700 0.091 0.000 0.789 422 E N -0.870 119.343 120.200 0.022 0.000 2.501 422 E HA -0.113 4.237 4.350 -0.000 0.000 0.203 422 E C 0.784 177.339 176.600 -0.076 0.000 1.072 422 E CA 0.773 57.179 56.400 0.010 0.000 0.885 422 E CB -0.496 29.177 29.700 -0.045 0.000 0.813 422 E HN 0.118 nan 8.360 nan 0.000 0.556 423 R N -0.394 119.979 120.500 -0.211 0.000 2.570 423 R HA 0.344 4.684 4.340 -0.000 0.000 0.246 423 R C -1.229 174.837 176.300 -0.391 0.000 1.417 423 R CA -0.062 55.835 56.100 -0.339 0.000 1.525 423 R CB 0.377 30.382 30.300 -0.492 0.000 1.403 423 R HN 0.078 nan 8.270 nan 0.000 0.754 424 A N 0.905 123.306 122.820 -0.698 0.000 2.591 424 A HA 0.135 4.455 4.320 -0.000 0.000 0.244 424 A C 0.769 178.157 177.584 -0.326 0.000 1.031 424 A CA 0.301 51.971 52.037 -0.613 0.000 0.767 424 A CB -0.219 18.092 19.000 -1.148 0.000 0.942 424 A HN 0.406 nan 8.150 nan 0.000 0.514 425 V N 1.027 120.867 119.914 -0.124 0.000 3.051 425 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 425 V C -2.374 173.816 176.094 0.160 0.000 1.083 425 V CA -2.121 60.195 62.300 0.025 0.000 1.104 425 V CB 0.039 31.887 31.823 0.041 0.000 1.027 425 V HN 0.707 nan 8.190 nan 0.000 0.483 426 P HA -0.020 nan 4.420 nan 0.000 0.250 426 P C 0.681 178.152 177.300 0.286 0.000 1.161 426 P CA 0.892 64.111 63.100 0.199 0.000 0.863 426 P CB -0.210 31.584 31.700 0.157 0.000 0.827 427 H N 3.758 122.972 119.070 0.240 0.000 2.383 427 H HA -0.253 4.303 4.556 -0.000 0.000 0.286 427 H C 1.520 176.986 175.328 0.229 0.000 1.126 427 H CA 2.596 58.795 56.048 0.252 0.000 1.182 427 H CB -0.787 29.074 29.762 0.166 0.000 1.352 427 H HN 0.430 nan 8.280 nan 0.000 0.480 428 G N -1.538 106.920 108.800 -0.571 0.000 2.815 428 G HA2 0.085 4.045 3.960 -0.000 0.000 0.215 428 G HA3 0.085 4.045 3.960 -0.000 0.000 0.215 428 G C 1.215 175.920 174.900 -0.325 0.000 1.054 428 G CA 0.015 44.865 45.100 -0.416 0.000 0.832 428 G HN 0.369 nan 8.290 nan 0.000 0.557 429 K N 0.819 121.086 120.400 -0.221 0.000 2.367 429 K HA 0.149 4.469 4.320 -0.000 0.000 0.194 429 K C 1.943 178.489 176.600 -0.090 0.000 1.027 429 K CA 0.074 56.269 56.287 -0.154 0.000 1.075 429 K CB -0.062 32.395 32.500 -0.072 0.000 0.845 429 K HN 0.585 nan 8.250 nan 0.000 0.529 430 W N 2.464 123.784 121.300 0.033 0.000 2.374 430 W HA -0.227 4.433 4.660 -0.000 0.000 0.288 430 W C 0.938 177.480 176.519 0.038 0.000 1.218 430 W CA 0.818 58.213 57.345 0.084 0.000 1.245 430 W CB -0.639 28.940 29.460 0.197 0.000 1.126 430 W HN 0.073 nan 8.180 nan 0.000 0.545 431 Q N 1.045 120.430 119.800 -0.691 0.000 2.226 431 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 431 Q C 1.099 176.978 176.000 -0.201 0.000 0.975 431 Q CA 1.844 57.324 55.803 -0.538 0.000 0.866 431 Q CB -0.953 27.259 28.738 -0.878 0.000 0.915 431 Q HN 0.271 nan 8.270 nan 0.000 0.440 432 D N 1.247 121.539 120.400 -0.179 0.000 2.162 432 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 432 D C 1.837 178.099 176.300 -0.063 0.000 0.964 432 D CA 0.968 54.902 54.000 -0.110 0.000 0.847 432 D CB 0.066 40.804 40.800 -0.103 0.000 0.988 432 D HN 0.380 nan 8.370 nan 0.000 0.480 433 E N 0.230 120.422 120.200 -0.013 0.000 2.070 433 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 433 E C 2.010 178.569 176.600 -0.069 0.000 1.004 433 E CA 0.632 57.054 56.400 0.036 0.000 0.805 433 E CB -0.162 29.643 29.700 0.176 0.000 0.744 433 E HN 0.172 nan 8.360 nan 0.000 0.451 434 L N 1.845 122.943 121.223 -0.209 0.000 1.976 434 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 434 L C 1.993 178.745 176.870 -0.195 0.000 1.071 434 L CA 1.970 56.536 54.840 -0.457 0.000 0.746 434 L CB -0.362 41.542 42.059 -0.259 0.000 0.890 434 L HN -0.096 nan 8.230 nan 0.000 0.432 435 K N -0.669 119.669 120.400 -0.104 0.000 2.074 435 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 435 K C 2.121 178.669 176.600 -0.086 0.000 1.048 435 K CA 1.545 57.787 56.287 -0.075 0.000 0.926 435 K CB -0.321 32.139 32.500 -0.068 0.000 0.713 435 K HN 0.377 nan 8.250 nan 0.000 0.444 436 E N 0.784 120.931 120.200 -0.088 0.000 2.033 436 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 436 E C 2.155 178.675 176.600 -0.133 0.000 1.011 436 E CA 1.411 57.756 56.400 -0.091 0.000 0.815 436 E CB -0.246 29.415 29.700 -0.065 0.000 0.755 436 E HN 0.050 nan 8.360 nan 0.000 0.451 437 V N 0.810 120.642 119.914 -0.137 0.000 2.252 437 V HA -0.359 3.761 4.120 -0.000 0.000 0.249 437 V C 2.743 178.616 176.094 -0.368 0.000 1.056 437 V CA 1.996 64.146 62.300 -0.249 0.000 1.022 437 V CB -0.813 30.974 31.823 -0.061 0.000 0.641 437 V HN 0.360 nan 8.190 nan 0.000 0.445 438 C N -0.854 118.353 119.300 -0.154 0.000 2.413 438 C HA -0.202 4.258 4.460 -0.000 0.000 0.276 438 C C 2.855 177.807 174.990 -0.065 0.000 1.236 438 C CA 1.371 60.359 59.018 -0.049 0.000 1.735 438 C CB -0.964 26.786 27.740 0.017 0.000 2.031 438 C HN 0.613 nan 8.230 nan 0.000 0.474 439 Q N 1.151 120.899 119.800 -0.086 0.000 2.045 439 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 439 Q C 2.320 178.255 176.000 -0.109 0.000 0.991 439 Q CA 2.062 57.820 55.803 -0.076 0.000 0.851 439 Q CB -0.514 28.177 28.738 -0.077 0.000 0.911 439 Q HN 0.625 nan 8.270 nan 0.000 0.418 440 R N -1.320 119.075 120.500 -0.176 0.000 2.096 440 R HA -0.216 4.124 4.340 -0.000 0.000 0.240 440 R C 2.185 178.353 176.300 -0.221 0.000 1.139 440 R CA 2.144 58.115 56.100 -0.216 0.000 0.952 440 R CB -0.427 29.714 30.300 -0.266 0.000 0.854 440 R HN 0.601 nan 8.270 nan 0.000 0.436 441 H N -0.934 118.017 119.070 -0.197 0.000 2.389 441 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 441 H C 2.306 177.533 175.328 -0.169 0.000 1.081 441 H CA 1.246 57.133 56.048 -0.267 0.000 1.345 441 H CB 0.113 29.913 29.762 0.065 0.000 1.393 441 H HN 0.230 nan 8.280 nan 0.000 0.520 442 R N 0.569 121.105 120.500 0.060 0.000 2.096 442 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 442 R C 2.593 178.885 176.300 -0.013 0.000 1.127 442 R CA 1.458 57.589 56.100 0.050 0.000 0.968 442 R CB -0.151 30.175 30.300 0.043 0.000 0.861 442 R HN 0.355 nan 8.270 nan 0.000 0.440 443 S N 1.046 116.702 115.700 -0.072 0.000 2.428 443 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 443 S C 1.611 176.136 174.600 -0.124 0.000 1.014 443 S CA 0.807 58.954 58.200 -0.088 0.000 0.957 443 S CB -0.019 63.119 63.200 -0.104 0.000 0.784 443 S HN 0.227 nan 8.310 nan 0.000 0.499 444 K N 0.931 121.190 120.400 -0.234 0.000 2.525 444 K HA 0.217 4.537 4.320 -0.000 0.000 0.192 444 K C 1.231 177.798 176.600 -0.055 0.000 1.029 444 K CA 0.438 56.545 56.287 -0.299 0.000 1.029 444 K CB -0.089 31.883 32.500 -0.880 0.000 0.814 444 K HN 0.604 nan 8.250 nan 0.000 0.503 445 G N 1.712 110.520 108.800 0.014 0.000 2.211 445 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.201 445 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.201 445 G C -0.029 174.974 174.900 0.172 0.000 0.997 445 G CA -0.320 44.843 45.100 0.104 0.000 0.652 445 G HN 0.322 nan 8.290 nan 0.000 0.500 446 R N 0.969 121.614 120.500 0.241 0.000 2.489 446 R HA 0.509 4.849 4.340 -0.000 0.000 0.287 446 R C 1.687 178.085 176.300 0.163 0.000 1.053 446 R CA 0.101 56.356 56.100 0.260 0.000 1.036 446 R CB 0.239 30.756 30.300 0.362 0.000 0.966 446 R HN 0.367 nan 8.270 nan 0.000 0.432 447 R N 2.276 122.858 120.500 0.137 0.000 2.080 447 R HA -0.022 4.318 4.340 -0.000 0.000 0.222 447 R C 0.147 176.525 176.300 0.130 0.000 1.107 447 R CA 1.435 57.603 56.100 0.114 0.000 0.980 447 R CB -0.094 30.263 30.300 0.096 0.000 0.879 447 R HN 0.767 nan 8.270 nan 0.000 0.439 448 N N -0.097 118.692 118.700 0.148 0.000 2.292 448 N HA 0.242 4.982 4.740 -0.000 0.000 0.303 448 N C -1.480 174.141 175.510 0.184 0.000 1.140 448 N CA -0.918 52.237 53.050 0.175 0.000 0.788 448 N CB 1.398 40.003 38.487 0.196 0.000 1.361 448 N HN -0.138 nan 8.380 nan 0.000 0.489 449 N N -0.828 117.991 118.700 0.199 0.000 2.384 449 N HA 0.539 5.279 4.740 -0.000 0.000 0.301 449 N C -1.481 174.162 175.510 0.222 0.000 1.133 449 N CA -0.591 52.583 53.050 0.205 0.000 0.853 449 N CB 2.167 40.765 38.487 0.185 0.000 1.241 449 N HN 0.502 nan 8.380 nan 0.000 0.502 450 T N 1.422 116.103 114.554 0.211 0.000 2.949 450 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 450 T C -1.086 173.743 174.700 0.215 0.000 0.988 450 T CA -0.353 61.869 62.100 0.205 0.000 0.993 450 T CB 0.294 69.246 68.868 0.141 0.000 0.984 450 T HN 0.205 nan 8.240 nan 0.000 0.442 451 I N 3.713 124.420 120.570 0.227 0.000 2.433 451 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 451 I C -0.222 176.023 176.117 0.212 0.000 1.001 451 I CA -0.617 60.844 61.300 0.270 0.000 1.119 451 I CB 1.580 39.771 38.000 0.319 0.000 1.289 451 I HN 0.569 nan 8.210 nan 0.000 0.438 452 I N 6.436 127.115 120.570 0.182 0.000 2.312 452 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 452 I C -0.734 175.474 176.117 0.153 0.000 1.008 452 I CA -0.746 60.617 61.300 0.104 0.000 1.226 452 I CB 1.220 39.218 38.000 -0.003 0.000 1.371 452 I HN 0.161 nan 8.210 nan 0.000 0.468 453 V N 6.355 126.332 119.914 0.105 0.000 2.384 453 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 453 V C 0.572 176.687 176.094 0.034 0.000 1.020 453 V CA -0.685 61.662 62.300 0.079 0.000 0.850 453 V CB 1.413 33.195 31.823 -0.068 0.000 0.987 453 V HN 0.829 nan 8.190 nan 0.000 0.436 454 A N 3.342 126.195 122.820 0.053 0.000 2.407 454 A HA 0.371 4.691 4.320 -0.000 0.000 0.248 454 A C 1.114 178.705 177.584 0.012 0.000 1.082 454 A CA -0.181 51.876 52.037 0.032 0.000 0.785 454 A CB 0.196 19.229 19.000 0.054 0.000 1.020 454 A HN 0.947 nan 8.150 nan 0.000 0.489 455 E N 1.867 122.069 120.200 0.002 0.000 2.058 455 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 455 E C 1.628 178.239 176.600 0.018 0.000 0.997 455 E CA 1.375 57.770 56.400 -0.010 0.000 0.801 455 E CB -0.123 29.555 29.700 -0.037 0.000 0.746 455 E HN 0.830 nan 8.360 nan 0.000 0.450 456 G N 0.465 109.295 108.800 0.049 0.000 3.279 456 G HA2 0.250 4.210 3.960 -0.000 0.000 0.230 456 G HA3 0.250 4.210 3.960 -0.000 0.000 0.230 456 G C 0.149 175.112 174.900 0.105 0.000 1.230 456 G CA 0.171 45.351 45.100 0.133 0.000 0.891 456 G HN 0.231 nan 8.290 nan 0.000 0.518 457 A N 0.446 123.298 122.820 0.053 0.000 2.488 457 A HA 0.599 4.919 4.320 -0.000 0.000 0.249 457 A C -0.237 177.354 177.584 0.011 0.000 1.083 457 A CA 0.173 52.230 52.037 0.033 0.000 0.768 457 A CB 0.104 19.108 19.000 0.007 0.000 1.017 457 A HN 0.843 nan 8.150 nan 0.000 0.496 458 L N 0.228 121.458 121.223 0.011 0.000 2.568 458 L HA 0.802 5.142 4.340 -0.000 0.000 0.257 458 L C -0.507 176.356 176.870 -0.012 0.000 1.024 458 L CA -1.256 53.593 54.840 0.016 0.000 0.854 458 L CB 0.964 43.060 42.059 0.063 0.000 1.460 458 L HN 0.648 nan 8.230 nan 0.000 0.409 459 D N -1.500 118.929 120.400 0.047 0.000 2.539 459 D HA 0.267 4.907 4.640 -0.000 0.000 0.276 459 D C 0.311 176.664 176.300 0.089 0.000 1.206 459 D CA -0.156 53.893 54.000 0.081 0.000 1.081 459 D CB 0.266 41.220 40.800 0.257 0.000 1.142 459 D HN 0.570 nan 8.370 nan 0.000 0.595 460 D N -0.679 119.821 120.400 0.165 0.000 2.126 460 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 460 D C 1.339 177.823 176.300 0.308 0.000 1.001 460 D CA 1.524 55.682 54.000 0.263 0.000 0.841 460 D CB -0.185 40.809 40.800 0.324 0.000 0.949 460 D HN 0.537 nan 8.370 nan 0.000 0.446 461 Q N 0.255 120.169 119.800 0.191 0.000 2.291 461 Q HA 0.225 4.565 4.340 -0.000 0.000 0.211 461 Q C 0.609 176.672 176.000 0.104 0.000 0.925 461 Q CA -0.150 55.704 55.803 0.086 0.000 0.949 461 Q CB 0.104 28.796 28.738 -0.076 0.000 1.015 461 Q HN 0.287 nan 8.270 nan 0.000 0.477 462 L N -0.621 120.706 121.223 0.172 0.000 4.367 462 L HA -0.274 4.066 4.340 -0.000 0.000 0.424 462 L C -0.534 176.392 176.870 0.095 0.000 1.152 462 L CA 0.143 55.068 54.840 0.141 0.000 0.974 462 L CB -1.688 40.432 42.059 0.101 0.000 2.012 462 L HN 0.479 nan 8.230 nan 0.000 0.922 463 N N 2.465 121.223 118.700 0.097 0.000 2.458 463 N HA 0.259 4.999 4.740 -0.000 0.000 0.270 463 N C -2.034 173.525 175.510 0.082 0.000 1.102 463 N CA -1.041 52.061 53.050 0.086 0.000 0.967 463 N CB 0.763 39.313 38.487 0.107 0.000 1.078 463 N HN 0.108 nan 8.380 nan 0.000 0.471 464 P HA -0.005 nan 4.420 nan 0.000 0.267 464 P C -0.403 176.905 177.300 0.013 0.000 1.205 464 P CA -0.049 63.074 63.100 0.038 0.000 0.765 464 P CB 0.749 32.471 31.700 0.038 0.000 0.828 465 V N 4.626 124.507 119.914 -0.055 0.000 2.364 465 V HA 0.188 4.308 4.120 -0.000 0.000 0.272 465 V C 0.945 176.910 176.094 -0.215 0.000 1.036 465 V CA 0.008 62.201 62.300 -0.179 0.000 0.880 465 V CB 0.858 32.433 31.823 -0.413 0.000 0.991 465 V HN 0.551 nan 8.190 nan 0.000 0.460 466 T N 3.989 118.450 114.554 -0.155 0.000 2.909 466 T HA 0.421 4.771 4.350 -0.000 0.000 0.286 466 T C 1.434 176.026 174.700 -0.180 0.000 1.002 466 T CA 0.335 62.359 62.100 -0.127 0.000 1.074 466 T CB 1.787 70.627 68.868 -0.045 0.000 0.984 466 T HN 0.820 nan 8.240 nan 0.000 0.495 467 A N 2.990 125.728 122.820 -0.135 0.000 1.948 467 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 467 A C 2.038 179.572 177.584 -0.084 0.000 1.177 467 A CA 2.068 54.033 52.037 -0.120 0.000 0.636 467 A CB -0.743 18.224 19.000 -0.056 0.000 0.815 467 A HN 0.832 nan 8.150 nan 0.000 0.449 468 N N -0.184 118.486 118.700 -0.049 0.000 2.300 468 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 468 N C 1.055 176.567 175.510 0.003 0.000 1.016 468 N CA 1.149 54.186 53.050 -0.020 0.000 0.876 468 N CB -0.219 38.263 38.487 -0.009 0.000 0.979 468 N HN 0.462 nan 8.380 nan 0.000 0.432 469 D N -0.115 120.291 120.400 0.009 0.000 2.104 469 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 469 D C 1.881 178.288 176.300 0.178 0.000 0.994 469 D CA 0.817 54.882 54.000 0.109 0.000 0.830 469 D CB -0.414 40.463 40.800 0.128 0.000 0.959 469 D HN -0.011 nan 8.370 nan 0.000 0.452 470 V N 0.733 120.653 119.914 0.010 0.000 2.343 470 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 470 V C 2.357 178.486 176.094 0.060 0.000 1.051 470 V CA 1.633 63.935 62.300 0.004 0.000 1.036 470 V CB -0.464 31.180 31.823 -0.299 0.000 0.654 470 V HN 0.223 nan 8.190 nan 0.000 0.451 471 K N -0.097 120.307 120.400 0.008 0.000 2.026 471 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 471 K C 1.887 178.493 176.600 0.009 0.000 1.048 471 K CA 2.006 58.292 56.287 -0.001 0.000 0.929 471 K CB -0.332 32.153 32.500 -0.025 0.000 0.713 471 K HN 0.447 nan 8.250 nan 0.000 0.439 472 D N 0.683 121.095 120.400 0.020 0.000 2.106 472 D HA -0.200 4.440 4.640 -0.000 0.000 0.191 472 D C 1.878 178.182 176.300 0.007 0.000 0.997 472 D CA 1.652 55.658 54.000 0.010 0.000 0.834 472 D CB -0.428 40.382 40.800 0.017 0.000 0.956 472 D HN 0.386 nan 8.370 nan 0.000 0.448 473 A N 0.896 123.734 122.820 0.031 0.000 1.903 473 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 473 A C 2.486 180.072 177.584 0.003 0.000 1.191 473 A CA 1.399 53.437 52.037 0.001 0.000 0.638 473 A CB -0.983 18.045 19.000 0.047 0.000 0.823 473 A HN 0.252 nan 8.150 nan 0.000 0.451 474 L N -0.607 120.633 121.223 0.028 0.000 2.141 474 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 474 L C 2.338 179.202 176.870 -0.010 0.000 1.094 474 L CA 0.423 55.270 54.840 0.012 0.000 0.763 474 L CB -0.348 41.725 42.059 0.023 0.000 0.908 474 L HN 0.329 nan 8.230 nan 0.000 0.437 475 I N 0.068 120.629 120.570 -0.016 0.000 2.315 475 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 475 I C 2.499 178.601 176.117 -0.025 0.000 1.117 475 I CA 1.391 62.676 61.300 -0.025 0.000 1.404 475 I CB -0.750 37.233 38.000 -0.027 0.000 1.071 475 I HN 0.393 nan 8.210 nan 0.000 0.419 476 E N 0.856 121.040 120.200 -0.027 0.000 2.058 476 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 476 E C 2.167 178.746 176.600 -0.034 0.000 0.997 476 E CA 1.187 57.567 56.400 -0.034 0.000 0.801 476 E CB -0.143 29.529 29.700 -0.046 0.000 0.746 476 E HN 0.257 nan 8.360 nan 0.000 0.450 477 L N -0.333 120.870 121.223 -0.032 0.000 2.353 477 L HA 0.035 4.375 4.340 -0.000 0.000 0.220 477 L C 1.321 178.177 176.870 -0.024 0.000 1.133 477 L CA 2.016 56.837 54.840 -0.031 0.000 0.798 477 L CB -0.012 42.030 42.059 -0.029 0.000 0.922 477 L HN 0.349 nan 8.230 nan 0.000 0.445 478 G N -1.369 107.418 108.800 -0.021 0.000 2.148 478 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.203 478 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.203 478 G C 0.090 174.983 174.900 -0.012 0.000 0.993 478 G CA 0.116 45.206 45.100 -0.017 0.000 0.661 478 G HN 0.330 nan 8.290 nan 0.000 0.518 479 L N 0.970 122.186 121.223 -0.012 0.000 2.334 479 L HA 0.448 4.788 4.340 -0.000 0.000 0.277 479 L C 0.268 177.123 176.870 -0.024 0.000 1.075 479 L CA -0.986 53.850 54.840 -0.006 0.000 0.804 479 L CB 1.012 43.074 42.059 0.005 0.000 1.174 479 L HN 0.039 nan 8.230 nan 0.000 0.438 480 D N 2.113 122.499 120.400 -0.023 0.000 2.349 480 D HA 0.056 4.696 4.640 -0.000 0.000 0.266 480 D C -0.687 175.550 176.300 -0.106 0.000 1.293 480 D CA 0.315 54.283 54.000 -0.053 0.000 0.926 480 D CB 0.559 41.341 40.800 -0.030 0.000 1.090 480 D HN 0.434 nan 8.370 nan 0.000 0.502 481 T N 3.555 118.028 114.554 -0.135 0.000 2.807 481 T HA 0.477 4.827 4.350 -0.000 0.000 0.279 481 T C -0.107 174.424 174.700 -0.282 0.000 0.993 481 T CA -0.786 61.193 62.100 -0.201 0.000 0.970 481 T CB 1.675 70.477 68.868 -0.111 0.000 0.950 481 T HN 0.127 nan 8.240 nan 0.000 0.441 482 K N 1.253 121.353 120.400 -0.500 0.000 2.340 482 K HA 0.819 5.139 4.320 -0.000 0.000 0.244 482 K C -1.157 175.280 176.600 -0.271 0.000 0.973 482 K CA -0.697 55.306 56.287 -0.473 0.000 0.828 482 K CB 2.018 34.013 32.500 -0.842 0.000 1.226 482 K HN 0.330 nan 8.250 nan 0.000 0.437 483 V N 1.205 121.070 119.914 -0.081 0.000 2.604 483 V HA 0.552 4.672 4.120 -0.000 0.000 0.305 483 V C -0.927 175.234 176.094 0.110 0.000 1.043 483 V CA -0.676 61.639 62.300 0.026 0.000 0.888 483 V CB 2.184 34.009 31.823 0.003 0.000 0.995 483 V HN 0.786 nan 8.190 nan 0.000 0.429 484 T N 5.652 120.301 114.554 0.158 0.000 2.841 484 T HA 0.611 4.961 4.350 -0.000 0.000 0.285 484 T C -0.688 174.067 174.700 0.091 0.000 0.991 484 T CA -0.209 61.982 62.100 0.152 0.000 0.966 484 T CB 1.191 70.184 68.868 0.208 0.000 0.962 484 T HN 0.285 nan 8.240 nan 0.000 0.438 485 I N 4.159 124.768 120.570 0.066 0.000 2.337 485 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 485 I C 1.359 177.500 176.117 0.039 0.000 1.041 485 I CA -0.310 61.014 61.300 0.041 0.000 1.199 485 I CB 0.849 38.866 38.000 0.029 0.000 1.370 485 I HN 0.640 nan 8.210 nan 0.000 0.470 486 L N 4.855 126.098 121.223 0.033 0.000 2.127 486 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 486 L C 1.704 178.586 176.870 0.021 0.000 1.089 486 L CA 1.011 55.870 54.840 0.032 0.000 0.757 486 L CB -1.001 41.073 42.059 0.025 0.000 0.899 486 L HN 0.928 nan 8.230 nan 0.000 0.434 487 G N -0.302 108.490 108.800 -0.013 0.000 2.575 487 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 487 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 487 G C 0.211 175.047 174.900 -0.107 0.000 1.264 487 G CA 0.655 45.728 45.100 -0.045 0.000 0.935 487 G HN 0.449 nan 8.290 nan 0.000 0.568 488 H N 0.508 119.585 119.070 0.013 0.000 2.560 488 H HA 0.094 4.650 4.556 -0.000 0.000 0.283 488 H C 2.600 177.936 175.328 0.013 0.000 1.028 488 H CA 1.444 57.498 56.048 0.010 0.000 1.221 488 H CB -0.383 29.381 29.762 0.004 0.000 1.363 488 H HN 0.736 nan 8.280 nan 0.000 0.594 489 V N -1.411 118.558 119.914 0.090 0.000 2.828 489 V HA -0.253 3.867 4.120 -0.000 0.000 0.260 489 V C 1.492 177.616 176.094 0.050 0.000 1.101 489 V CA 1.490 63.832 62.300 0.069 0.000 1.123 489 V CB -0.481 31.381 31.823 0.064 0.000 0.704 489 V HN 0.439 nan 8.190 nan 0.000 0.493 490 Q N -0.288 119.527 119.800 0.025 0.000 2.444 490 Q HA 0.131 4.471 4.340 -0.000 0.000 0.206 490 Q C 2.009 178.021 176.000 0.021 0.000 0.948 490 Q CA 0.356 56.167 55.803 0.013 0.000 0.946 490 Q CB 0.054 28.781 28.738 -0.018 0.000 1.027 490 Q HN 0.566 nan 8.270 nan 0.000 0.513 491 R N -0.480 120.044 120.500 0.040 0.000 2.316 491 R HA 0.178 4.518 4.340 -0.000 0.000 0.201 491 R C 0.933 177.257 176.300 0.041 0.000 0.888 491 R CA 0.526 56.656 56.100 0.049 0.000 1.041 491 R CB 0.504 30.863 30.300 0.098 0.000 1.115 491 R HN 0.144 nan 8.270 nan 0.000 0.559 492 G N -0.205 108.620 108.800 0.043 0.000 2.543 492 G HA2 0.474 4.434 3.960 -0.000 0.000 0.267 492 G HA3 0.474 4.434 3.960 -0.000 0.000 0.267 492 G C -0.183 174.728 174.900 0.017 0.000 1.406 492 G CA 0.181 45.295 45.100 0.022 0.000 1.048 492 G HN 0.334 nan 8.290 nan 0.000 0.548 493 G N -2.083 106.721 108.800 0.007 0.000 2.755 493 G HA2 0.283 4.243 3.960 -0.000 0.000 0.686 493 G HA3 0.283 4.243 3.960 -0.000 0.000 0.686 493 G C 0.281 175.181 174.900 -0.000 0.000 1.427 493 G CA 0.489 45.594 45.100 0.008 0.000 0.873 493 G HN 1.822 nan 8.290 nan 0.000 0.580 494 T N -0.883 113.670 114.554 -0.001 0.000 2.689 494 T HA 0.752 5.102 4.350 -0.000 0.000 0.308 494 T C 1.032 175.742 174.700 0.017 0.000 1.021 494 T CA 0.814 62.911 62.100 -0.006 0.000 0.973 494 T CB 1.146 70.010 68.868 -0.007 0.000 1.113 494 T HN 2.357 nan 8.240 nan 0.000 0.522 495 A N 0.800 123.633 122.820 0.022 0.000 2.327 495 A HA 0.601 4.921 4.320 -0.000 0.000 0.283 495 A C 0.705 178.333 177.584 0.073 0.000 1.127 495 A CA -0.619 51.450 52.037 0.054 0.000 0.810 495 A CB -0.077 18.954 19.000 0.052 0.000 1.066 495 A HN 1.373 nan 8.150 nan 0.000 0.492 496 V N 0.038 120.015 119.914 0.105 0.000 3.083 496 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 496 V C 1.535 177.717 176.094 0.146 0.000 1.077 496 V CA 0.018 62.382 62.300 0.107 0.000 1.073 496 V CB 0.172 32.060 31.823 0.108 0.000 1.081 496 V HN 1.430 nan 8.190 nan 0.000 0.474 497 A N 0.265 123.167 122.820 0.136 0.000 1.940 497 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 497 A C 2.139 179.908 177.584 0.310 0.000 1.190 497 A CA 2.509 54.674 52.037 0.214 0.000 0.647 497 A CB -1.309 17.789 19.000 0.164 0.000 0.821 497 A HN 1.226 nan 8.150 nan 0.000 0.457 498 H N -0.307 118.842 119.070 0.131 0.000 2.357 498 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 498 H C 1.301 176.802 175.328 0.288 0.000 1.082 498 H CA 1.804 57.957 56.048 0.174 0.000 1.342 498 H CB -0.156 29.566 29.762 -0.067 0.000 1.389 498 H HN 0.438 nan 8.280 nan 0.000 0.511 499 D N 0.334 120.971 120.400 0.396 0.000 2.183 499 D HA -0.070 4.570 4.640 -0.000 0.000 0.203 499 D C 2.510 178.888 176.300 0.131 0.000 0.969 499 D CA 0.429 54.596 54.000 0.279 0.000 0.842 499 D CB 0.026 40.962 40.800 0.227 0.000 0.957 499 D HN 0.417 nan 8.370 nan 0.000 0.484 500 R N -0.152 120.423 120.500 0.125 0.000 2.070 500 R HA -0.149 4.191 4.340 -0.000 0.000 0.233 500 R C 2.254 178.548 176.300 -0.010 0.000 1.137 500 R CA 1.286 57.414 56.100 0.046 0.000 0.945 500 R CB -0.587 29.747 30.300 0.057 0.000 0.845 500 R HN 0.259 nan 8.270 nan 0.000 0.430 501 W N 1.748 122.924 121.300 -0.206 0.000 2.335 501 W HA -0.207 4.453 4.660 0.000 0.000 0.311 501 W C 1.888 178.207 176.519 -0.332 0.000 1.213 501 W CA 1.329 58.431 57.345 -0.405 0.000 1.274 501 W CB -0.412 28.723 29.460 -0.541 0.000 1.148 501 W HN 0.011 nan 8.180 nan 0.000 0.498 502 L N 0.618 121.766 121.223 -0.126 0.000 1.994 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 502 L C 2.501 179.174 176.870 -0.329 0.000 1.071 502 L CA 2.169 56.800 54.840 -0.348 0.000 0.745 502 L CB -1.279 40.751 42.059 -0.049 0.000 0.892 502 L HN 0.181 nan 8.230 nan 0.000 0.431 503 A N -0.825 121.891 122.820 -0.174 0.000 1.883 503 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 503 A C 2.200 179.658 177.584 -0.210 0.000 1.186 503 A CA 2.393 54.341 52.037 -0.148 0.000 0.624 503 A CB -1.032 17.921 19.000 -0.078 0.000 0.822 503 A HN 0.488 nan 8.150 nan 0.000 0.444 504 T N 0.497 114.896 114.554 -0.258 0.000 2.684 504 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 504 T C 1.830 176.331 174.700 -0.331 0.000 1.036 504 T CA 1.574 63.507 62.100 -0.278 0.000 1.148 504 T CB -0.389 68.301 68.868 -0.296 0.000 0.863 504 T HN 0.369 nan 8.240 nan 0.000 0.436 505 L N 0.544 121.472 121.223 -0.491 0.000 2.027 505 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 505 L C 2.951 179.638 176.870 -0.304 0.000 1.074 505 L CA 1.337 55.903 54.840 -0.457 0.000 0.745 505 L CB -0.599 41.026 42.059 -0.724 0.000 0.898 505 L HN 0.298 nan 8.230 nan 0.000 0.433 506 Q N -0.156 119.467 119.800 -0.296 0.000 2.124 506 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 506 Q C 2.272 178.193 176.000 -0.131 0.000 0.977 506 Q CA 1.461 57.157 55.803 -0.179 0.000 0.850 506 Q CB -0.364 28.284 28.738 -0.150 0.000 0.901 506 Q HN 0.624 nan 8.270 nan 0.000 0.429 507 G N 0.265 108.977 108.800 -0.148 0.000 2.446 507 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 507 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 507 G C 1.487 176.328 174.900 -0.098 0.000 1.168 507 G CA 1.024 46.053 45.100 -0.119 0.000 0.771 507 G HN 0.237 nan 8.290 nan 0.000 0.551 508 V N 1.114 120.957 119.914 -0.118 0.000 2.392 508 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 508 V C 2.431 178.517 176.094 -0.012 0.000 1.059 508 V CA 2.317 64.571 62.300 -0.077 0.000 1.051 508 V CB -0.418 31.341 31.823 -0.107 0.000 0.658 508 V HN 0.404 nan 8.190 nan 0.000 0.455 509 D N -0.176 120.204 120.400 -0.033 0.000 2.183 509 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 509 D C 2.129 178.445 176.300 0.026 0.000 0.969 509 D CA 1.136 55.140 54.000 0.006 0.000 0.842 509 D CB -0.090 40.700 40.800 -0.016 0.000 0.957 509 D HN 0.365 nan 8.370 nan 0.000 0.484 510 A N -0.191 122.631 122.820 0.002 0.000 1.908 510 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 510 A C 2.445 180.049 177.584 0.034 0.000 1.181 510 A CA 1.509 53.554 52.037 0.013 0.000 0.627 510 A CB -0.858 18.131 19.000 -0.020 0.000 0.818 510 A HN 0.202 nan 8.150 nan 0.000 0.445 511 V N 0.043 119.983 119.914 0.042 0.000 2.261 511 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 511 V C 2.478 178.651 176.094 0.132 0.000 1.047 511 V CA 2.393 64.745 62.300 0.087 0.000 1.015 511 V CB -0.636 31.258 31.823 0.119 0.000 0.642 511 V HN 0.555 nan 8.190 nan 0.000 0.446 512 K N 0.018 120.514 120.400 0.160 0.000 2.103 512 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 512 K C 2.248 178.895 176.600 0.079 0.000 1.048 512 K CA 1.489 57.849 56.287 0.122 0.000 0.930 512 K CB -0.403 32.176 32.500 0.132 0.000 0.716 512 K HN 0.493 nan 8.250 nan 0.000 0.444 513 A N 0.869 123.748 122.820 0.098 0.000 1.933 513 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 513 A C 2.336 180.078 177.584 0.265 0.000 1.175 513 A CA 1.244 53.366 52.037 0.142 0.000 0.628 513 A CB -0.614 18.472 19.000 0.143 0.000 0.814 513 A HN 0.103 nan 8.150 nan 0.000 0.444 514 V N 0.277 120.292 119.914 0.168 0.000 2.295 514 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 514 V C 2.460 178.615 176.094 0.101 0.000 1.049 514 V CA 2.000 64.339 62.300 0.065 0.000 1.024 514 V CB -0.470 31.308 31.823 -0.076 0.000 0.648 514 V HN 0.609 nan 8.190 nan 0.000 0.447 515 L N -0.576 120.686 121.223 0.065 0.000 2.362 515 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 515 L C 2.035 178.924 176.870 0.032 0.000 1.134 515 L CA 1.297 56.147 54.840 0.018 0.000 0.807 515 L CB -0.467 41.551 42.059 -0.070 0.000 0.927 515 L HN 0.429 nan 8.230 nan 0.000 0.447 516 E N -0.993 119.255 120.200 0.080 0.000 2.481 516 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 516 E C 0.185 176.836 176.600 0.085 0.000 1.027 516 E CA -0.443 55.987 56.400 0.050 0.000 0.900 516 E CB 0.349 30.059 29.700 0.017 0.000 0.993 516 E HN 0.113 nan 8.360 nan 0.000 0.482 517 F N 1.970 121.898 119.950 -0.037 0.000 2.633 517 F HA -0.026 4.501 4.527 -0.000 0.000 0.338 517 F C 1.184 176.965 175.800 -0.033 0.000 1.206 517 F CA 0.651 58.630 58.000 -0.035 0.000 1.378 517 F CB 0.647 39.623 39.000 -0.041 0.000 1.116 517 F HN -0.163 nan 8.300 nan 0.000 0.615 518 T N 0.491 115.028 114.554 -0.028 0.000 2.816 518 T HA 0.403 4.753 4.350 -0.000 0.000 0.299 518 T C -2.171 172.529 174.700 0.001 0.000 1.230 518 T CA -1.265 60.830 62.100 -0.008 0.000 1.007 518 T CB 1.777 70.609 68.868 -0.061 0.000 1.289 518 T HN 0.278 nan 8.240 nan 0.000 0.508 519 P HA -0.108 nan 4.420 nan 0.000 0.214 519 P C 1.067 178.365 177.300 -0.004 0.000 1.163 519 P CA 1.510 64.629 63.100 0.032 0.000 0.889 519 P CB 0.198 31.915 31.700 0.028 0.000 0.790 520 E N 0.295 120.477 120.200 -0.030 0.000 2.435 520 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 520 E C 0.328 176.874 176.600 -0.090 0.000 1.029 520 E CA 0.124 56.501 56.400 -0.038 0.000 0.865 520 E CB -1.000 28.686 29.700 -0.024 0.000 0.833 520 E HN 0.330 nan 8.360 nan 0.000 0.510 521 T N 0.735 115.180 114.554 -0.181 0.000 2.888 521 T HA 0.181 4.531 4.350 -0.000 0.000 0.301 521 T C -2.098 172.427 174.700 -0.293 0.000 1.001 521 T CA -1.466 60.466 62.100 -0.280 0.000 1.147 521 T CB 0.964 69.535 68.868 -0.495 0.000 0.931 521 T HN -0.073 nan 8.240 nan 0.000 0.541 522 P HA 0.218 nan 4.420 nan 0.000 0.276 522 P C -0.418 176.818 177.300 -0.107 0.000 1.261 522 P CA -0.670 62.372 63.100 -0.096 0.000 0.800 522 P CB 0.531 32.220 31.700 -0.017 0.000 1.066 523 S N 2.533 118.243 115.700 0.017 0.000 2.509 523 S HA 0.144 4.614 4.470 -0.000 0.000 0.287 523 S C -1.748 172.904 174.600 0.085 0.000 1.248 523 S CA -0.467 57.808 58.200 0.126 0.000 1.089 523 S CB -0.734 62.542 63.200 0.127 0.000 0.900 523 S HN 0.405 nan 8.310 nan 0.000 0.496 524 P HA 0.349 nan 4.420 nan 0.000 0.288 524 P C -0.965 176.381 177.300 0.077 0.000 1.267 524 P CA -0.672 62.470 63.100 0.070 0.000 0.815 524 P CB 1.051 32.797 31.700 0.077 0.000 0.989 525 L N 4.023 125.274 121.223 0.047 0.000 2.333 525 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 525 L C -0.349 176.535 176.870 0.023 0.000 1.004 525 L CA -1.167 53.694 54.840 0.034 0.000 0.820 525 L CB 1.006 43.082 42.059 0.029 0.000 1.247 525 L HN 0.185 nan 8.230 nan 0.000 0.416 526 I N 4.793 125.370 120.570 0.013 0.000 2.416 526 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 526 I C 0.832 176.947 176.117 -0.004 0.000 1.051 526 I CA 0.170 61.471 61.300 0.001 0.000 1.375 526 I CB 0.436 38.428 38.000 -0.014 0.000 1.407 526 I HN 0.750 nan 8.210 nan 0.000 0.516 527 G N 6.446 115.248 108.800 0.004 0.000 3.222 527 G HA2 0.780 4.740 3.960 -0.000 0.000 0.263 527 G HA3 0.780 4.740 3.960 -0.000 0.000 0.263 527 G C -1.350 173.565 174.900 0.025 0.000 1.312 527 G CA -0.525 44.582 45.100 0.012 0.000 0.934 527 G HN 0.503 nan 8.290 nan 0.000 0.577 528 I N -0.481 120.122 120.570 0.054 0.000 2.656 528 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 528 I C -0.578 175.604 176.117 0.108 0.000 1.144 528 I CA -0.833 60.524 61.300 0.095 0.000 1.038 528 I CB 1.977 40.061 38.000 0.141 0.000 1.244 528 I HN 0.470 nan 8.210 nan 0.000 0.420 529 L N 4.947 126.242 121.223 0.119 0.000 2.758 529 L HA 0.361 4.701 4.340 -0.000 0.000 0.234 529 L C 0.324 177.273 176.870 0.132 0.000 1.049 529 L CA 0.109 55.017 54.840 0.114 0.000 0.908 529 L CB 0.569 42.680 42.059 0.087 0.000 1.362 529 L HN 0.561 nan 8.230 nan 0.000 0.499 530 E N 0.550 120.836 120.200 0.143 0.000 3.646 530 E HA 0.136 4.486 4.350 -0.000 0.000 0.211 530 E C -0.643 176.068 176.600 0.184 0.000 1.034 530 E CA -0.156 56.334 56.400 0.150 0.000 1.341 530 E CB 0.372 30.147 29.700 0.125 0.000 1.202 530 E HN 0.228 nan 8.360 nan 0.000 0.447 531 N N 1.889 120.719 118.700 0.216 0.000 2.741 531 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 531 N C -1.200 174.522 175.510 0.353 0.000 1.115 531 N CA 1.161 54.388 53.050 0.294 0.000 0.724 531 N CB -0.678 37.960 38.487 0.251 0.000 1.090 531 N HN 0.236 nan 8.380 nan 0.000 0.558 532 K N -0.064 120.490 120.400 0.257 0.000 2.375 532 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 532 K C -0.157 176.534 176.600 0.151 0.000 0.942 532 K CA -0.839 55.582 56.287 0.223 0.000 0.806 532 K CB 1.489 34.090 32.500 0.169 0.000 1.227 532 K HN 0.085 nan 8.250 nan 0.000 0.430 533 I N 4.488 125.116 120.570 0.097 0.000 2.441 533 I HA 0.246 4.416 4.170 -0.000 0.000 0.287 533 I C 0.278 176.417 176.117 0.037 0.000 1.049 533 I CA -0.308 61.011 61.300 0.033 0.000 1.381 533 I CB 0.252 38.229 38.000 -0.039 0.000 1.409 533 I HN 0.498 nan 8.210 nan 0.000 0.523 534 I N 3.460 124.050 120.570 0.032 0.000 3.108 534 I HA 0.682 4.852 4.170 -0.000 0.000 0.312 534 I C -0.769 175.360 176.117 0.020 0.000 1.095 534 I CA -1.174 60.145 61.300 0.031 0.000 1.000 534 I CB 2.096 40.120 38.000 0.039 0.000 1.229 534 I HN 0.456 nan 8.210 nan 0.000 0.454 535 R N 3.014 123.525 120.500 0.018 0.000 2.778 535 R HA 0.823 5.163 4.340 -0.000 0.000 0.277 535 R C -1.000 175.308 176.300 0.013 0.000 0.977 535 R CA -0.901 55.208 56.100 0.015 0.000 0.950 535 R CB 2.268 32.575 30.300 0.011 0.000 1.165 535 R HN 0.834 nan 8.270 nan 0.000 0.474 536 M N 0.007 119.616 119.600 0.014 0.000 2.470 536 M HA 0.480 4.960 4.480 -0.000 0.000 0.285 536 M C -2.791 173.518 176.300 0.015 0.000 1.213 536 M CA -2.391 52.917 55.300 0.013 0.000 0.901 536 M CB 2.758 35.369 32.600 0.018 0.000 1.718 536 M HN 0.242 nan 8.290 nan 0.000 0.469 537 P HA 0.021 nan 4.420 nan 0.000 0.260 537 P C 0.595 177.915 177.300 0.032 0.000 1.207 537 P CA 0.064 63.175 63.100 0.018 0.000 0.780 537 P CB 0.899 32.608 31.700 0.015 0.000 0.789 538 L N 5.290 126.539 121.223 0.044 0.000 2.043 538 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 538 L C 2.052 178.955 176.870 0.055 0.000 1.075 538 L CA 1.925 56.796 54.840 0.052 0.000 0.752 538 L CB -0.399 41.701 42.059 0.069 0.000 0.891 538 L HN 0.102 nan 8.230 nan 0.000 0.432 539 V N -1.094 118.859 119.914 0.066 0.000 2.392 539 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 539 V C 2.571 178.690 176.094 0.043 0.000 1.059 539 V CA 1.812 64.150 62.300 0.064 0.000 1.051 539 V CB -0.924 30.945 31.823 0.077 0.000 0.658 539 V HN 0.460 nan 8.190 nan 0.000 0.455 540 E N 0.885 121.106 120.200 0.035 0.000 2.031 540 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 540 E C 2.566 179.179 176.600 0.021 0.000 0.994 540 E CA 1.753 58.167 56.400 0.025 0.000 0.800 540 E CB -0.466 29.246 29.700 0.021 0.000 0.752 540 E HN 0.613 nan 8.360 nan 0.000 0.447 541 S N 0.631 116.345 115.700 0.023 0.000 2.370 541 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 541 S C 2.247 176.858 174.600 0.018 0.000 1.033 541 S CA 1.509 59.720 58.200 0.018 0.000 1.011 541 S CB -0.451 62.759 63.200 0.017 0.000 0.852 541 S HN 0.329 nan 8.310 nan 0.000 0.457 542 V N 0.909 120.839 119.914 0.027 0.000 2.407 542 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 542 V C 2.100 178.207 176.094 0.022 0.000 1.055 542 V CA 2.043 64.360 62.300 0.028 0.000 1.049 542 V CB -0.734 31.113 31.823 0.041 0.000 0.662 542 V HN 0.393 nan 8.190 nan 0.000 0.455 543 K N 0.260 120.672 120.400 0.020 0.000 2.031 543 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 543 K C 2.228 178.832 176.600 0.006 0.000 1.049 543 K CA 1.608 57.903 56.287 0.013 0.000 0.939 543 K CB -0.302 32.205 32.500 0.013 0.000 0.717 543 K HN 0.528 nan 8.250 nan 0.000 0.438 544 L N 1.127 122.353 121.223 0.006 0.000 2.043 544 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 544 L C 2.740 179.607 176.870 -0.006 0.000 1.075 544 L CA 2.063 56.902 54.840 -0.001 0.000 0.752 544 L CB -0.854 41.205 42.059 0.001 0.000 0.891 544 L HN 0.517 nan 8.230 nan 0.000 0.432 545 T N -3.435 111.118 114.554 -0.002 0.000 2.942 545 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 545 T C 1.861 176.562 174.700 0.001 0.000 1.062 545 T CA 0.795 62.892 62.100 -0.004 0.000 1.139 545 T CB -0.023 68.846 68.868 0.000 0.000 0.883 545 T HN -0.001 nan 8.240 nan 0.000 0.468 546 K N 1.919 122.322 120.400 0.005 0.000 2.148 546 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 546 K C 2.576 179.172 176.600 -0.007 0.000 1.050 546 K CA 1.314 57.605 56.287 0.006 0.000 0.942 546 K CB -0.485 32.021 32.500 0.010 0.000 0.724 546 K HN 0.560 nan 8.250 nan 0.000 0.446 547 S N -0.749 114.944 115.700 -0.010 0.000 2.423 547 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 547 S C 1.910 176.493 174.600 -0.029 0.000 1.014 547 S CA 1.026 59.215 58.200 -0.020 0.000 0.965 547 S CB -0.483 62.706 63.200 -0.017 0.000 0.785 547 S HN 0.030 nan 8.310 nan 0.000 0.495 548 V N 2.646 122.544 119.914 -0.027 0.000 2.282 548 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 548 V C 3.202 179.272 176.094 -0.040 0.000 1.057 548 V CA 1.866 64.145 62.300 -0.035 0.000 1.032 548 V CB -1.702 30.101 31.823 -0.032 0.000 0.645 548 V HN 0.697 nan 8.190 nan 0.000 0.447 549 A N -0.190 122.606 122.820 -0.040 0.000 1.858 549 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 549 A C 2.402 179.946 177.584 -0.067 0.000 1.190 549 A CA 2.593 54.592 52.037 -0.064 0.000 0.617 549 A CB -1.211 17.748 19.000 -0.069 0.000 0.827 549 A HN 0.501 nan 8.150 nan 0.000 0.443 550 T N 0.662 115.183 114.554 -0.055 0.000 2.620 550 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 550 T C 2.150 176.802 174.700 -0.081 0.000 1.044 550 T CA 2.394 64.459 62.100 -0.058 0.000 1.161 550 T CB -0.680 68.162 68.868 -0.044 0.000 0.862 550 T HN 0.683 nan 8.240 nan 0.000 0.438 551 A N 1.076 123.845 122.820 -0.085 0.000 1.972 551 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 551 A C 2.235 179.701 177.584 -0.196 0.000 1.169 551 A CA 1.138 53.102 52.037 -0.123 0.000 0.635 551 A CB -0.589 18.354 19.000 -0.096 0.000 0.810 551 A HN 0.465 nan 8.150 nan 0.000 0.446 552 I N -0.057 120.428 120.570 -0.141 0.000 2.439 552 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 552 I C 2.150 178.181 176.117 -0.144 0.000 1.139 552 I CA 1.171 62.390 61.300 -0.135 0.000 1.438 552 I CB -1.473 36.523 38.000 -0.006 0.000 1.085 552 I HN 0.474 nan 8.210 nan 0.000 0.427 553 E N 1.092 121.223 120.200 -0.114 0.000 2.106 553 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 553 E C 0.638 177.169 176.600 -0.115 0.000 0.984 553 E CA 0.682 57.028 56.400 -0.089 0.000 0.806 553 E CB -0.035 29.624 29.700 -0.069 0.000 0.750 553 E HN 0.476 nan 8.360 nan 0.000 0.458 554 N N 1.546 120.154 118.700 -0.153 0.000 2.575 554 N HA 0.042 4.782 4.740 -0.000 0.000 0.275 554 N C -0.588 174.758 175.510 -0.274 0.000 1.202 554 N CA 0.078 53.032 53.050 -0.160 0.000 0.945 554 N CB 0.661 39.074 38.487 -0.124 0.000 1.247 554 N HN -0.058 nan 8.380 nan 0.000 0.510 555 K N 0.351 120.514 120.400 -0.395 0.000 2.971 555 K HA -0.220 4.100 4.320 -0.000 0.000 0.247 555 K C -0.153 175.872 176.600 -0.959 0.000 0.885 555 K CA 0.647 56.450 56.287 -0.807 0.000 0.651 555 K CB -0.931 31.384 32.500 -0.308 0.000 1.321 555 K HN 0.278 nan 8.250 nan 0.000 0.484 556 D N -0.547 119.441 120.400 -0.688 0.000 2.973 556 D HA 0.158 4.798 4.640 -0.000 0.000 0.263 556 D C 0.536 176.640 176.300 -0.328 0.000 1.266 556 D CA -0.490 53.274 54.000 -0.392 0.000 0.975 556 D CB -0.347 40.334 40.800 -0.200 0.000 1.032 556 D HN 0.154 nan 8.370 nan 0.000 0.510 557 F N 0.101 120.046 119.950 -0.007 0.000 2.154 557 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 557 F C 2.154 177.939 175.800 -0.024 0.000 1.087 557 F CA 0.857 58.845 58.000 -0.020 0.000 1.274 557 F CB -0.140 38.850 39.000 -0.016 0.000 1.009 557 F HN 0.202 nan 8.300 nan 0.000 0.485 558 D N 0.499 120.984 120.400 0.143 0.000 2.123 558 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 558 D C 2.159 178.483 176.300 0.041 0.000 0.992 558 D CA 1.462 55.514 54.000 0.087 0.000 0.833 558 D CB -0.258 40.587 40.800 0.074 0.000 0.954 558 D HN 0.159 nan 8.370 nan 0.000 0.455 559 K N 1.429 121.833 120.400 0.006 0.000 2.026 559 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 559 K C 1.889 178.479 176.600 -0.017 0.000 1.048 559 K CA 1.536 57.816 56.287 -0.012 0.000 0.929 559 K CB -0.584 31.893 32.500 -0.037 0.000 0.713 559 K HN 0.005 nan 8.250 nan 0.000 0.439 560 A N 1.212 124.020 122.820 -0.021 0.000 1.851 560 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 560 A C 2.369 179.916 177.584 -0.062 0.000 1.195 560 A CA 1.960 53.979 52.037 -0.030 0.000 0.622 560 A CB -1.019 17.985 19.000 0.006 0.000 0.831 560 A HN 0.481 nan 8.150 nan 0.000 0.444 561 I N 0.767 121.311 120.570 -0.044 0.000 2.248 561 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 561 I C 2.505 178.577 176.117 -0.075 0.000 1.107 561 I CA 1.981 63.219 61.300 -0.103 0.000 1.373 561 I CB -0.057 37.944 38.000 0.002 0.000 1.055 561 I HN 0.501 nan 8.210 nan 0.000 0.418 562 S N 0.187 115.879 115.700 -0.013 0.000 2.515 562 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 562 S C 1.741 176.336 174.600 -0.008 0.000 0.987 562 S CA 0.559 58.768 58.200 0.014 0.000 0.936 562 S CB -0.504 62.714 63.200 0.029 0.000 0.766 562 S HN 0.531 nan 8.310 nan 0.000 0.528 563 L N 0.414 121.608 121.223 -0.048 0.000 2.446 563 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 563 L C 1.653 178.476 176.870 -0.079 0.000 1.116 563 L CA 0.068 54.878 54.840 -0.050 0.000 0.844 563 L CB -0.144 41.883 42.059 -0.053 0.000 0.970 563 L HN 0.188 nan 8.230 nan 0.000 0.457 564 R N 1.196 121.601 120.500 -0.159 0.000 2.783 564 R HA 0.058 4.398 4.340 -0.000 0.000 0.276 564 R C -0.101 176.188 176.300 -0.018 0.000 1.223 564 R CA -0.356 55.622 56.100 -0.203 0.000 1.173 564 R CB -0.111 29.786 30.300 -0.673 0.000 1.157 564 R HN 0.152 nan 8.270 nan 0.000 0.600 565 D N -0.182 120.265 120.400 0.077 0.000 2.370 565 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 565 D C 0.502 176.915 176.300 0.189 0.000 1.228 565 D CA 0.096 54.176 54.000 0.133 0.000 0.884 565 D CB 0.318 41.205 40.800 0.145 0.000 1.201 565 D HN 0.299 nan 8.370 nan 0.000 0.456 566 T N 0.719 115.368 114.554 0.157 0.000 2.680 566 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 566 T C 1.333 176.151 174.700 0.196 0.000 1.033 566 T CA 1.832 64.028 62.100 0.160 0.000 1.152 566 T CB -0.145 68.811 68.868 0.146 0.000 0.859 566 T HN 0.514 nan 8.240 nan 0.000 0.452 567 E N -0.844 119.495 120.200 0.231 0.000 2.474 567 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 567 E C 1.320 178.074 176.600 0.256 0.000 1.039 567 E CA -0.354 56.180 56.400 0.223 0.000 0.881 567 E CB -0.023 29.795 29.700 0.197 0.000 0.970 567 E HN 0.440 nan 8.360 nan 0.000 0.486 568 F N 1.371 121.424 119.950 0.171 0.000 2.043 568 F HA -0.304 4.223 4.527 0.000 0.000 0.297 568 F C 1.818 177.707 175.800 0.148 0.000 1.121 568 F CA 1.651 59.751 58.000 0.168 0.000 1.199 568 F CB -0.002 39.096 39.000 0.165 0.000 0.968 568 F HN -0.027 nan 8.300 nan 0.000 0.478 569 I N 0.446 121.267 120.570 0.419 0.000 2.208 569 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 569 I C 2.378 178.630 176.117 0.225 0.000 1.097 569 I CA 1.866 63.355 61.300 0.316 0.000 1.363 569 I CB -0.890 37.258 38.000 0.246 0.000 1.051 569 I HN 0.269 nan 8.210 nan 0.000 0.413 570 E N 1.179 121.485 120.200 0.177 0.000 2.033 570 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 570 E C 2.316 178.967 176.600 0.085 0.000 1.011 570 E CA 1.607 58.085 56.400 0.129 0.000 0.815 570 E CB -0.193 29.580 29.700 0.122 0.000 0.755 570 E HN 0.435 nan 8.360 nan 0.000 0.451 571 L N -0.082 121.163 121.223 0.038 0.000 1.990 571 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 571 L C 2.679 179.533 176.870 -0.026 0.000 1.072 571 L CA 1.901 56.714 54.840 -0.045 0.000 0.755 571 L CB -0.819 41.132 42.059 -0.179 0.000 0.889 571 L HN 0.325 nan 8.230 nan 0.000 0.432 572 Y N 0.930 121.147 120.300 -0.140 0.000 2.151 572 Y HA -0.340 4.210 4.550 0.000 0.000 0.284 572 Y C 2.561 178.492 175.900 0.052 0.000 1.166 572 Y CA 2.103 60.164 58.100 -0.065 0.000 1.163 572 Y CB -0.132 38.299 38.460 -0.047 0.000 0.974 572 Y HN 0.170 nan 8.280 nan 0.000 0.511 573 E N 0.278 120.507 120.200 0.047 0.000 2.031 573 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 573 E C 2.057 178.627 176.600 -0.050 0.000 0.994 573 E CA 1.592 57.994 56.400 0.004 0.000 0.800 573 E CB -0.618 29.142 29.700 0.099 0.000 0.752 573 E HN 0.571 nan 8.360 nan 0.000 0.447 574 N N -0.948 117.743 118.700 -0.016 0.000 2.061 574 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 574 N C 1.654 177.129 175.510 -0.058 0.000 1.030 574 N CA 1.539 54.572 53.050 -0.029 0.000 0.856 574 N CB -0.408 38.069 38.487 -0.017 0.000 1.023 574 N HN 0.190 nan 8.380 nan 0.000 0.424 575 F N 0.790 120.608 119.950 -0.219 0.000 2.126 575 F HA -0.067 4.460 4.527 0.000 0.000 0.299 575 F C 1.794 177.439 175.800 -0.259 0.000 1.096 575 F CA 1.264 59.111 58.000 -0.255 0.000 1.255 575 F CB -0.346 38.450 39.000 -0.341 0.000 0.997 575 F HN 0.090 nan 8.300 nan 0.000 0.479 576 L N -0.251 120.710 121.223 -0.437 0.000 2.027 576 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 576 L C 2.626 179.340 176.870 -0.259 0.000 1.074 576 L CA 1.586 56.165 54.840 -0.434 0.000 0.745 576 L CB -1.105 40.749 42.059 -0.342 0.000 0.898 576 L HN 0.235 nan 8.230 nan 0.000 0.433 577 S N -2.615 113.021 115.700 -0.107 0.000 2.474 577 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 577 S C 1.716 176.356 174.600 0.068 0.000 0.997 577 S CA 1.344 59.578 58.200 0.056 0.000 0.949 577 S CB -0.316 63.043 63.200 0.265 0.000 0.766 577 S HN 0.314 nan 8.310 nan 0.000 0.517 578 T N 0.571 115.082 114.554 -0.072 0.000 3.040 578 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 578 T C 1.101 175.699 174.700 -0.171 0.000 1.058 578 T CA 0.875 62.930 62.100 -0.076 0.000 0.988 578 T CB 0.130 68.934 68.868 -0.106 0.000 0.993 578 T HN 0.553 nan 8.240 nan 0.000 0.519 579 T N -0.667 113.712 114.554 -0.291 0.000 3.254 579 T HA 0.190 4.540 4.350 -0.000 0.000 0.267 579 T C 1.659 176.326 174.700 -0.055 0.000 0.946 579 T CA 0.057 62.002 62.100 -0.258 0.000 0.991 579 T CB 0.234 68.686 68.868 -0.695 0.000 1.205 579 T HN 0.066 nan 8.240 nan 0.000 0.494 580 V N 1.756 121.563 119.914 -0.177 0.000 2.949 580 V HA 0.138 4.258 4.120 -0.000 0.000 0.245 580 V C 1.635 177.717 176.094 -0.019 0.000 1.086 580 V CA 0.752 63.012 62.300 -0.068 0.000 1.097 580 V CB -0.170 31.566 31.823 -0.145 0.000 0.762 580 V HN 0.228 nan 8.190 nan 0.000 0.470 581 K N 1.752 122.135 120.400 -0.029 0.000 2.546 581 K HA 0.025 4.345 4.320 -0.000 0.000 0.198 581 K C 0.840 177.448 176.600 0.014 0.000 1.028 581 K CA 0.322 56.606 56.287 -0.005 0.000 1.150 581 K CB -0.448 32.054 32.500 0.003 0.000 0.876 581 K HN 0.667 nan 8.250 nan 0.000 0.508 582 D N 0.067 120.494 120.400 0.045 0.000 2.323 582 D HA -0.104 4.536 4.640 -0.000 0.000 0.239 582 D C 0.811 177.106 176.300 -0.008 0.000 1.129 582 D CA 0.013 54.045 54.000 0.053 0.000 0.865 582 D CB 0.181 41.071 40.800 0.151 0.000 0.913 582 D HN -0.060 nan 8.370 nan 0.000 0.517 583 D N 0.382 120.770 120.400 -0.020 0.000 2.312 583 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 583 D C 1.837 178.109 176.300 -0.047 0.000 0.964 583 D CA 1.493 55.468 54.000 -0.043 0.000 0.877 583 D CB -0.065 40.715 40.800 -0.033 0.000 0.924 583 D HN 0.387 nan 8.370 nan 0.000 0.515 584 G N -0.364 108.411 108.800 -0.041 0.000 2.284 584 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.230 584 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.230 584 G C 1.288 176.158 174.900 -0.051 0.000 1.021 584 G CA 1.190 46.261 45.100 -0.049 0.000 0.619 584 G HN 0.576 nan 8.290 nan 0.000 0.510 585 S N 1.453 117.127 115.700 -0.044 0.000 2.485 585 S HA 0.041 4.511 4.470 -0.000 0.000 0.211 585 S C 1.056 175.625 174.600 -0.052 0.000 1.237 585 S CA 1.646 59.821 58.200 -0.041 0.000 1.796 585 S CB -0.685 62.497 63.200 -0.029 0.000 0.923 585 S HN 1.692 nan 8.310 nan 0.000 0.374 586 E N 1.284 121.460 120.200 -0.040 0.000 2.680 586 E HA -0.097 4.253 4.350 -0.000 0.000 0.278 586 E C -0.507 176.026 176.600 -0.113 0.000 1.018 586 E CA -0.008 56.361 56.400 -0.051 0.000 0.991 586 E CB -0.350 29.342 29.700 -0.013 0.000 1.006 586 E HN 0.411 nan 8.360 nan 0.000 0.464 587 L N 3.248 124.350 121.223 -0.202 0.000 4.053 587 L HA -0.169 4.171 4.340 -0.000 0.000 0.479 587 L C 0.074 176.678 176.870 -0.443 0.000 0.886 587 L CA 1.168 55.738 54.840 -0.451 0.000 0.766 587 L CB -0.554 40.960 42.059 -0.909 0.000 1.153 587 L HN 0.545 nan 8.230 nan 0.000 0.861 588 L N 6.321 127.386 121.223 -0.264 0.000 2.825 588 L HA 0.398 4.738 4.340 -0.000 0.000 0.236 588 L C -1.913 174.838 176.870 -0.199 0.000 1.301 588 L CA -1.501 53.225 54.840 -0.190 0.000 0.977 588 L CB 0.408 42.397 42.059 -0.117 0.000 1.300 588 L HN 0.329 nan 8.230 nan 0.000 0.486 589 P HA -0.184 nan 4.420 nan 0.000 0.269 589 P C 1.337 178.558 177.300 -0.132 0.000 1.153 589 P CA 0.457 63.438 63.100 -0.198 0.000 0.754 589 P CB 0.617 32.185 31.700 -0.221 0.000 0.758 590 V N 1.222 121.081 119.914 -0.093 0.000 2.288 590 V HA -0.221 3.899 4.120 -0.000 0.000 0.229 590 V C 0.740 176.800 176.094 -0.056 0.000 0.983 590 V CA 1.755 64.016 62.300 -0.064 0.000 1.006 590 V CB -1.268 30.527 31.823 -0.047 0.000 0.660 590 V HN 0.536 nan 8.190 nan 0.000 0.490 591 S N 1.449 117.127 115.700 -0.037 0.000 2.488 591 S HA 0.440 4.910 4.470 -0.000 0.000 0.151 591 S C -0.851 173.747 174.600 -0.003 0.000 1.401 591 S CA 0.158 58.344 58.200 -0.022 0.000 1.221 591 S CB 0.241 63.431 63.200 -0.015 0.000 1.407 591 S HN 1.065 nan 8.310 nan 0.000 0.406 592 D N 0.078 120.481 120.400 0.004 0.000 3.484 592 D HA 0.050 4.690 4.640 -0.000 0.000 0.315 592 D C -0.070 176.276 176.300 0.076 0.000 1.516 592 D CA -0.484 53.539 54.000 0.038 0.000 0.755 592 D CB -0.086 40.730 40.800 0.027 0.000 1.306 592 D HN 0.242 nan 8.370 nan 0.000 0.615 593 R N 0.159 120.688 120.500 0.049 0.000 2.500 593 R HA 0.804 5.144 4.340 -0.000 0.000 0.277 593 R C -0.077 176.383 176.300 0.266 0.000 1.026 593 R CA -0.658 55.458 56.100 0.027 0.000 1.058 593 R CB 1.612 31.872 30.300 -0.066 0.000 1.078 593 R HN 0.062 nan 8.270 nan 0.000 0.509 594 L N 0.699 122.326 121.223 0.674 0.000 2.283 594 L HA 0.433 4.773 4.340 -0.000 0.000 0.259 594 L C -0.411 176.604 176.870 0.242 0.000 1.027 594 L CA -1.229 53.804 54.840 0.322 0.000 0.828 594 L CB 1.522 43.664 42.059 0.137 0.000 1.380 594 L HN 0.396 nan 8.230 nan 0.000 0.425 595 N N 2.007 120.799 118.700 0.154 0.000 2.527 595 N HA 0.425 5.165 4.740 -0.000 0.000 0.236 595 N C -1.130 174.443 175.510 0.105 0.000 0.999 595 N CA -0.238 52.929 53.050 0.195 0.000 0.935 595 N CB 0.952 39.489 38.487 0.083 0.000 1.132 595 N HN 0.330 nan 8.380 nan 0.000 0.511 596 I N 1.159 121.813 120.570 0.140 0.000 2.339 596 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 596 I C 1.202 177.369 176.117 0.083 0.000 0.994 596 I CA -0.783 60.546 61.300 0.048 0.000 1.191 596 I CB 0.885 38.887 38.000 0.003 0.000 1.343 596 I HN 0.277 nan 8.210 nan 0.000 0.458 597 G N 6.765 115.546 108.800 -0.032 0.000 2.476 597 G HA2 0.713 4.673 3.960 -0.000 0.000 0.286 597 G HA3 0.713 4.673 3.960 -0.000 0.000 0.286 597 G C -0.553 174.326 174.900 -0.036 0.000 1.177 597 G CA -0.411 44.658 45.100 -0.053 0.000 0.870 597 G HN 0.531 nan 8.290 nan 0.000 0.528 598 I N 0.535 121.090 120.570 -0.025 0.000 2.571 598 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 598 I C -0.520 175.535 176.117 -0.104 0.000 1.115 598 I CA -0.888 60.398 61.300 -0.025 0.000 1.045 598 I CB 2.344 40.355 38.000 0.018 0.000 1.238 598 I HN 0.363 nan 8.210 nan 0.000 0.424 599 V N 1.871 121.721 119.914 -0.106 0.000 2.914 599 V HA 0.588 4.708 4.120 -0.000 0.000 0.314 599 V C -0.955 175.113 176.094 -0.043 0.000 1.084 599 V CA -0.821 61.349 62.300 -0.216 0.000 0.963 599 V CB 2.019 33.618 31.823 -0.375 0.000 1.025 599 V HN 0.550 nan 8.190 nan 0.000 0.432 600 H N 1.405 120.365 119.070 -0.183 0.000 2.638 600 H HA 0.675 5.231 4.556 0.000 0.000 0.303 600 H C -0.701 174.530 175.328 -0.163 0.000 1.034 600 H CA -0.905 55.055 56.048 -0.146 0.000 1.225 600 H CB 1.555 31.243 29.762 -0.122 0.000 1.394 600 H HN 0.536 nan 8.280 nan 0.000 0.477 601 V N 3.213 123.116 119.914 -0.019 0.000 2.328 601 V HA 0.736 4.856 4.120 -0.000 0.000 0.278 601 V C 0.759 176.861 176.094 0.014 0.000 1.021 601 V CA 0.054 62.339 62.300 -0.025 0.000 0.838 601 V CB 0.973 32.791 31.823 -0.008 0.000 0.999 601 V HN 1.065 nan 8.190 nan 0.000 0.447 602 G N 3.804 112.617 108.800 0.021 0.000 2.347 602 G HA2 0.470 4.430 3.960 -0.000 0.000 0.341 602 G HA3 0.470 4.430 3.960 -0.000 0.000 0.341 602 G C -0.438 174.463 174.900 0.003 0.000 1.287 602 G CA -0.268 44.845 45.100 0.022 0.000 0.984 602 G HN 1.160 nan 8.290 nan 0.000 0.526 603 A N 0.326 123.144 122.820 -0.003 0.000 2.386 603 A HA 0.732 5.052 4.320 -0.000 0.000 0.248 603 A C -1.906 175.652 177.584 -0.043 0.000 1.082 603 A CA -0.490 51.541 52.037 -0.010 0.000 0.789 603 A CB -0.348 18.644 19.000 -0.013 0.000 1.025 603 A HN 0.570 nan 8.150 nan 0.000 0.490 604 P HA 0.212 nan 4.420 nan 0.000 0.268 604 P C -0.386 176.849 177.300 -0.108 0.000 1.204 604 P CA 0.278 63.329 63.100 -0.082 0.000 0.768 604 P CB 0.856 32.518 31.700 -0.063 0.000 0.842 605 S N 1.302 116.912 115.700 -0.150 0.000 2.798 605 S HA 0.669 5.139 4.470 -0.000 0.000 0.312 605 S C 0.740 175.240 174.600 -0.167 0.000 1.122 605 S CA -0.437 57.666 58.200 -0.161 0.000 0.949 605 S CB 1.576 64.665 63.200 -0.185 0.000 1.235 605 S HN 0.412 nan 8.310 nan 0.000 0.552 606 A N -0.610 122.114 122.820 -0.160 0.000 2.390 606 A HA 0.649 4.969 4.320 -0.000 0.000 0.232 606 A C 1.329 178.817 177.584 -0.159 0.000 1.233 606 A CA 0.452 52.397 52.037 -0.153 0.000 0.907 606 A CB -0.393 18.529 19.000 -0.130 0.000 0.967 606 A HN 0.866 nan 8.150 nan 0.000 0.512 607 A N -0.598 122.123 122.820 -0.166 0.000 2.431 607 A HA 0.476 4.796 4.320 -0.000 0.000 0.239 607 A C 1.545 179.028 177.584 -0.169 0.000 1.230 607 A CA -0.082 51.866 52.037 -0.148 0.000 0.928 607 A CB -0.350 18.577 19.000 -0.122 0.000 1.006 607 A HN 0.351 nan 8.150 nan 0.000 0.520 608 L N 0.020 121.092 121.223 -0.252 0.000 1.971 608 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 608 L C 2.293 179.031 176.870 -0.221 0.000 1.072 608 L CA 1.644 56.262 54.840 -0.370 0.000 0.758 608 L CB -0.759 40.901 42.059 -0.665 0.000 0.889 608 L HN 0.363 nan 8.230 nan 0.000 0.433 609 N N 0.407 118.958 118.700 -0.249 0.000 2.069 609 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 609 N C 1.881 177.415 175.510 0.040 0.000 1.031 609 N CA 1.733 54.642 53.050 -0.234 0.000 0.852 609 N CB -0.544 37.616 38.487 -0.545 0.000 1.018 609 N HN 0.380 nan 8.380 nan 0.000 0.423 610 A N 1.042 123.855 122.820 -0.011 0.000 1.940 610 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 610 A C 2.403 180.022 177.584 0.059 0.000 1.176 610 A CA 2.108 54.176 52.037 0.051 0.000 0.631 610 A CB -0.810 18.189 19.000 -0.001 0.000 0.814 610 A HN 0.361 nan 8.150 nan 0.000 0.446 611 A N -1.149 121.683 122.820 0.020 0.000 1.855 611 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 611 A C 2.297 179.936 177.584 0.092 0.000 1.191 611 A CA 2.203 54.261 52.037 0.034 0.000 0.613 611 A CB -1.377 17.626 19.000 0.005 0.000 0.829 611 A HN 0.410 nan 8.150 nan 0.000 0.442 612 T N -0.528 114.114 114.554 0.147 0.000 2.737 612 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 612 T C 2.026 176.861 174.700 0.226 0.000 1.040 612 T CA 1.779 64.022 62.100 0.238 0.000 1.142 612 T CB -0.271 68.825 68.868 0.380 0.000 0.861 612 T HN 0.598 nan 8.240 nan 0.000 0.456 613 R N 0.943 121.596 120.500 0.254 0.000 2.066 613 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 613 R C 2.604 178.911 176.300 0.012 0.000 1.131 613 R CA 1.411 57.583 56.100 0.119 0.000 0.955 613 R CB -0.486 29.900 30.300 0.144 0.000 0.851 613 R HN 0.345 nan 8.270 nan 0.000 0.432 614 A N 0.759 123.597 122.820 0.030 0.000 1.902 614 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 614 A C 2.380 179.980 177.584 0.026 0.000 1.181 614 A CA 1.684 53.722 52.037 0.002 0.000 0.623 614 A CB -0.843 18.154 19.000 -0.006 0.000 0.818 614 A HN 0.569 nan 8.150 nan 0.000 0.443 615 A N -0.996 121.852 122.820 0.047 0.000 1.877 615 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 615 A C 2.326 179.956 177.584 0.076 0.000 1.186 615 A CA 2.326 54.405 52.037 0.070 0.000 0.620 615 A CB -1.344 17.702 19.000 0.076 0.000 0.822 615 A HN 0.425 nan 8.150 nan 0.000 0.443 616 T N 0.775 115.349 114.554 0.033 0.000 2.622 616 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 616 T C 1.852 176.546 174.700 -0.010 0.000 1.047 616 T CA 1.624 63.716 62.100 -0.014 0.000 1.159 616 T CB -0.535 68.273 68.868 -0.100 0.000 0.863 616 T HN 0.367 nan 8.240 nan 0.000 0.422 617 L N -0.548 120.648 121.223 -0.044 0.000 1.990 617 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 617 L C 2.412 179.316 176.870 0.057 0.000 1.072 617 L CA 1.899 56.727 54.840 -0.019 0.000 0.755 617 L CB -0.708 41.303 42.059 -0.080 0.000 0.889 617 L HN 0.259 nan 8.230 nan 0.000 0.432 618 Y N 0.153 120.409 120.300 -0.073 0.000 2.097 618 Y HA -0.333 4.217 4.550 -0.000 0.000 0.282 618 Y C 2.814 178.636 175.900 -0.130 0.000 1.152 618 Y CA 1.576 59.598 58.100 -0.129 0.000 1.136 618 Y CB -0.660 37.716 38.460 -0.140 0.000 0.975 618 Y HN 0.195 nan 8.280 nan 0.000 0.498 619 C N 0.289 119.636 119.300 0.078 0.000 2.359 619 C HA -0.289 4.171 4.460 -0.000 0.000 0.277 619 C C 2.827 177.846 174.990 0.048 0.000 1.192 619 C CA 1.624 60.710 59.018 0.114 0.000 1.759 619 C CB -1.595 26.220 27.740 0.125 0.000 2.038 619 C HN 0.620 nan 8.230 nan 0.000 0.448 620 L N 0.512 121.756 121.223 0.034 0.000 2.051 620 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 620 L C 2.732 179.607 176.870 0.008 0.000 1.076 620 L CA 1.960 56.819 54.840 0.032 0.000 0.758 620 L CB -0.950 41.157 42.059 0.079 0.000 0.890 620 L HN 0.439 nan 8.230 nan 0.000 0.433 621 S N -0.920 114.766 115.700 -0.023 0.000 2.374 621 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 621 S C 1.839 176.477 174.600 0.063 0.000 1.037 621 S CA 1.526 59.718 58.200 -0.013 0.000 1.024 621 S CB -0.256 62.887 63.200 -0.094 0.000 0.861 621 S HN 0.502 nan 8.310 nan 0.000 0.456 622 H N -0.199 118.720 119.070 -0.252 0.000 2.548 622 H HA 0.336 4.892 4.556 -0.000 0.000 0.265 622 H C 1.639 176.745 175.328 -0.369 0.000 0.969 622 H CA 0.247 56.099 56.048 -0.325 0.000 1.155 622 H CB -0.240 29.284 29.762 -0.397 0.000 1.394 622 H HN 0.519 nan 8.280 nan 0.000 0.570 623 G N 0.276 109.007 108.800 -0.116 0.000 2.141 623 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.231 623 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.231 623 G C -0.038 174.797 174.900 -0.109 0.000 0.984 623 G CA -0.168 44.860 45.100 -0.121 0.000 0.660 623 G HN 0.434 nan 8.290 nan 0.000 0.525 624 H N 0.166 119.258 119.070 0.036 0.000 2.546 624 H HA 0.477 5.033 4.556 -0.000 0.000 0.365 624 H C 0.313 175.654 175.328 0.021 0.000 1.220 624 H CA 0.099 56.174 56.048 0.044 0.000 1.386 624 H CB 0.929 30.723 29.762 0.054 0.000 1.510 624 H HN 0.166 nan 8.280 nan 0.000 0.591 625 K N 3.095 123.608 120.400 0.188 0.000 2.367 625 K HA 0.250 4.570 4.320 -0.000 0.000 0.263 625 K C -2.570 174.033 176.600 0.004 0.000 1.000 625 K CA -1.758 54.552 56.287 0.039 0.000 0.891 625 K CB 1.654 34.203 32.500 0.082 0.000 1.117 625 K HN 0.371 nan 8.250 nan 0.000 0.443 626 P HA 0.147 nan 4.420 nan 0.000 0.293 626 P C -1.361 175.786 177.300 -0.255 0.000 1.300 626 P CA -0.353 62.703 63.100 -0.074 0.000 0.792 626 P CB 0.607 32.282 31.700 -0.041 0.000 0.925 627 Y N 1.517 121.804 120.300 -0.021 0.000 2.420 627 Y HA 0.563 5.113 4.550 -0.000 0.000 0.334 627 Y C 0.685 176.560 175.900 -0.042 0.000 1.094 627 Y CA -0.804 57.277 58.100 -0.032 0.000 1.126 627 Y CB 1.841 40.273 38.460 -0.046 0.000 1.217 627 Y HN 0.400 nan 8.280 nan 0.000 0.462 628 A N 3.856 126.734 122.820 0.096 0.000 2.267 628 A HA 0.582 4.902 4.320 -0.000 0.000 0.315 628 A C -0.732 176.853 177.584 0.001 0.000 1.297 628 A CA -0.633 51.416 52.037 0.020 0.000 0.865 628 A CB -0.324 18.689 19.000 0.021 0.000 1.165 628 A HN 0.775 nan 8.150 nan 0.000 0.513 629 I N 4.695 125.233 120.570 -0.053 0.000 2.311 629 I HA 0.058 4.228 4.170 -0.000 0.000 0.297 629 I C 0.051 176.103 176.117 -0.108 0.000 1.131 629 I CA -0.302 60.964 61.300 -0.057 0.000 1.289 629 I CB 0.313 38.285 38.000 -0.046 0.000 1.446 629 I HN 0.538 nan 8.210 nan 0.000 0.524 630 M N 5.705 125.259 119.600 -0.076 0.000 2.250 630 M HA -0.034 4.446 4.480 -0.000 0.000 0.337 630 M C 0.984 177.231 176.300 -0.088 0.000 1.161 630 M CA 0.583 55.833 55.300 -0.083 0.000 1.088 630 M CB -0.611 31.960 32.600 -0.047 0.000 1.639 630 M HN 0.557 nan 8.290 nan 0.000 0.447 631 N N 1.233 119.878 118.700 -0.091 0.000 2.714 631 N HA -0.169 4.570 4.740 -0.000 0.000 0.252 631 N C 0.674 176.140 175.510 -0.073 0.000 1.014 631 N CA 1.161 54.171 53.050 -0.067 0.000 0.735 631 N CB -1.739 36.727 38.487 -0.036 0.000 0.924 631 N HN 1.153 nan 8.380 nan 0.000 0.540 632 G N -0.236 108.481 108.800 -0.139 0.000 2.774 632 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.279 632 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.279 632 G C 0.853 175.670 174.900 -0.139 0.000 1.372 632 G CA 0.259 45.227 45.100 -0.218 0.000 0.913 632 G HN 0.141 nan 8.290 nan 0.000 0.562 633 F N 1.368 121.333 119.950 0.024 0.000 2.120 633 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 633 F C 3.180 178.989 175.800 0.015 0.000 1.095 633 F CA 2.357 60.370 58.000 0.021 0.000 1.249 633 F CB -1.028 37.971 39.000 -0.002 0.000 0.995 633 F HN 0.691 nan 8.300 nan 0.000 0.480 634 S N -0.169 115.645 115.700 0.189 0.000 2.383 634 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 634 S C 2.436 177.083 174.600 0.078 0.000 1.030 634 S CA 1.242 59.509 58.200 0.113 0.000 1.002 634 S CB -1.401 61.845 63.200 0.077 0.000 0.829 634 S HN 0.363 nan 8.310 nan 0.000 0.467 635 G N 1.655 110.485 108.800 0.051 0.000 2.402 635 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.216 635 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.216 635 G C 1.374 176.275 174.900 0.003 0.000 1.162 635 G CA 0.916 46.025 45.100 0.015 0.000 0.777 635 G HN 0.473 nan 8.290 nan 0.000 0.539 636 L N 1.022 122.260 121.223 0.026 0.000 1.994 636 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 636 L C 2.743 179.612 176.870 -0.001 0.000 1.071 636 L CA 1.377 56.197 54.840 -0.032 0.000 0.745 636 L CB -0.589 41.534 42.059 0.106 0.000 0.892 636 L HN 0.279 nan 8.230 nan 0.000 0.431 637 I N -0.606 120.047 120.570 0.137 0.000 2.118 637 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 637 I C 2.525 178.734 176.117 0.153 0.000 1.070 637 I CA 1.870 63.284 61.300 0.190 0.000 1.327 637 I CB -0.438 37.640 38.000 0.130 0.000 1.034 637 I HN 0.428 nan 8.210 nan 0.000 0.405 638 Q N 0.706 120.557 119.800 0.085 0.000 2.297 638 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 638 Q C 1.659 177.691 176.000 0.052 0.000 0.962 638 Q CA 2.062 57.903 55.803 0.064 0.000 0.879 638 Q CB 0.025 28.788 28.738 0.042 0.000 0.947 638 Q HN 0.627 nan 8.270 nan 0.000 0.462 639 T N -6.824 107.735 114.554 0.007 0.000 3.131 639 T HA 0.308 4.658 4.350 -0.000 0.000 0.283 639 T C 1.243 175.861 174.700 -0.136 0.000 0.906 639 T CA 0.341 62.427 62.100 -0.023 0.000 0.882 639 T CB 0.145 68.997 68.868 -0.027 0.000 1.208 639 T HN 0.423 nan 8.240 nan 0.000 0.561 640 G N 1.907 110.448 108.800 -0.433 0.000 2.200 640 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 640 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 640 G C -0.172 174.467 174.900 -0.436 0.000 0.993 640 G CA 0.505 44.981 45.100 -1.040 0.000 0.701 640 G HN 0.722 nan 8.290 nan 0.000 0.524 641 E N -0.146 119.923 120.200 -0.217 0.000 2.292 641 E HA 0.364 4.714 4.350 -0.000 0.000 0.265 641 E C -0.214 176.341 176.600 -0.075 0.000 1.093 641 E CA -0.017 56.324 56.400 -0.099 0.000 0.922 641 E CB 1.033 30.701 29.700 -0.055 0.000 1.001 641 E HN 0.135 nan 8.360 nan 0.000 0.444 642 V N 5.596 125.495 119.914 -0.025 0.000 2.445 642 V HA 0.124 4.244 4.120 -0.000 0.000 0.283 642 V C -0.330 175.842 176.094 0.130 0.000 1.014 642 V CA -0.895 61.429 62.300 0.039 0.000 0.852 642 V CB 1.173 33.004 31.823 0.013 0.000 1.021 642 V HN 0.548 nan 8.190 nan 0.000 0.435 643 K N 2.791 123.257 120.400 0.110 0.000 2.183 643 K HA 0.640 4.960 4.320 -0.000 0.000 0.274 643 K C -0.159 176.462 176.600 0.036 0.000 1.009 643 K CA -0.618 55.723 56.287 0.090 0.000 0.888 643 K CB 2.429 34.952 32.500 0.038 0.000 1.078 643 K HN 0.636 nan 8.250 nan 0.000 0.459 644 E N 4.640 124.801 120.200 -0.065 0.000 2.324 644 E HA 0.048 4.398 4.350 -0.000 0.000 0.271 644 E C -0.876 175.584 176.600 -0.234 0.000 1.028 644 E CA -0.468 55.698 56.400 -0.389 0.000 0.890 644 E CB 0.563 30.020 29.700 -0.406 0.000 1.004 644 E HN 0.519 nan 8.360 nan 0.000 0.431 645 L N 4.108 125.181 121.223 -0.250 0.000 2.326 645 L HA 0.233 4.573 4.340 -0.000 0.000 0.278 645 L C 0.342 177.116 176.870 -0.160 0.000 1.092 645 L CA -0.472 54.262 54.840 -0.177 0.000 0.810 645 L CB 1.315 43.276 42.059 -0.162 0.000 1.153 645 L HN 0.609 nan 8.230 nan 0.000 0.439 646 S N 0.686 116.304 115.700 -0.137 0.000 2.578 646 S HA 0.182 4.652 4.470 -0.000 0.000 0.301 646 S C 0.410 174.983 174.600 -0.045 0.000 1.091 646 S CA -0.887 57.276 58.200 -0.061 0.000 1.032 646 S CB 1.306 64.487 63.200 -0.030 0.000 1.064 646 S HN 0.784 nan 8.310 nan 0.000 0.508 647 W N 2.260 123.466 121.300 -0.156 0.000 2.305 647 W HA -0.174 4.486 4.660 -0.000 0.000 0.308 647 W C 1.624 178.025 176.519 -0.196 0.000 1.226 647 W CA 1.405 58.652 57.345 -0.163 0.000 1.253 647 W CB -0.047 29.345 29.460 -0.114 0.000 1.146 647 W HN 0.662 nan 8.180 nan 0.000 0.507 648 I N 0.757 121.489 120.570 0.269 0.000 2.617 648 I HA -0.207 3.963 4.170 -0.000 0.000 0.256 648 I C 1.471 177.474 176.117 -0.190 0.000 1.167 648 I CA 1.623 62.991 61.300 0.115 0.000 1.469 648 I CB -1.056 37.068 38.000 0.207 0.000 1.098 648 I HN -0.024 nan 8.210 nan 0.000 0.436 649 D N 0.155 120.407 120.400 -0.248 0.000 2.144 649 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 649 D C 1.966 177.754 176.300 -0.854 0.000 0.984 649 D CA 0.945 54.716 54.000 -0.381 0.000 0.834 649 D CB 0.046 40.648 40.800 -0.330 0.000 0.955 649 D HN 0.159 nan 8.370 nan 0.000 0.465 650 V N 0.823 120.133 119.914 -1.006 0.000 3.646 650 V HA -0.049 4.071 4.120 -0.000 0.000 0.277 650 V C 0.387 175.880 176.094 -1.002 0.000 1.274 650 V CA 0.040 61.454 62.300 -1.478 0.000 1.164 650 V CB -0.303 30.971 31.823 -0.915 0.000 0.926 650 V HN -0.005 nan 8.190 nan 0.000 0.442 651 E N 1.297 121.068 120.200 -0.715 0.000 2.415 651 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 651 E C 0.925 177.451 176.600 -0.124 0.000 0.995 651 E CA 0.447 56.598 56.400 -0.415 0.000 0.915 651 E CB -0.002 29.535 29.700 -0.270 0.000 0.951 651 E HN 0.406 nan 8.360 nan 0.000 0.449 652 N N 3.091 121.827 118.700 0.059 0.000 2.800 652 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 652 N C -0.355 175.303 175.510 0.247 0.000 1.078 652 N CA 1.005 54.205 53.050 0.251 0.000 0.804 652 N CB -1.263 37.310 38.487 0.143 0.000 1.135 652 N HN 0.590 nan 8.380 nan 0.000 0.565 653 W N 1.290 122.575 121.300 -0.024 0.000 2.770 653 W HA 0.085 4.745 4.660 -0.000 0.000 0.256 653 W C 2.279 178.730 176.519 -0.114 0.000 1.291 653 W CA 1.086 58.380 57.345 -0.085 0.000 1.396 653 W CB -0.731 28.688 29.460 -0.070 0.000 1.114 653 W HN 0.443 nan 8.180 nan 0.000 0.637 654 H N 0.091 119.228 119.070 0.111 0.000 2.489 654 H HA -0.096 4.460 4.556 -0.000 0.000 0.295 654 H C 0.559 175.880 175.328 -0.012 0.000 1.082 654 H CA 1.726 57.788 56.048 0.024 0.000 1.295 654 H CB -0.820 28.935 29.762 -0.011 0.000 1.380 654 H HN 0.218 nan 8.280 nan 0.000 0.548 655 N N -0.109 118.209 118.700 -0.636 0.000 2.240 655 N HA 0.116 4.856 4.740 -0.000 0.000 0.240 655 N C -0.430 174.909 175.510 -0.285 0.000 1.277 655 N CA -0.343 52.449 53.050 -0.430 0.000 0.873 655 N CB -0.239 37.935 38.487 -0.521 0.000 1.222 655 N HN 0.233 nan 8.380 nan 0.000 0.507 656 L N 1.322 122.400 121.223 -0.242 0.000 2.260 656 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 656 L C 0.731 177.473 176.870 -0.214 0.000 1.057 656 L CA -0.696 54.019 54.840 -0.207 0.000 0.811 656 L CB 0.804 42.734 42.059 -0.216 0.000 1.184 656 L HN 0.259 nan 8.230 nan 0.000 0.429 657 G N 2.389 111.083 108.800 -0.178 0.000 2.611 657 G HA2 0.490 4.449 3.960 -0.000 0.000 0.273 657 G HA3 0.490 4.449 3.960 -0.000 0.000 0.273 657 G C 0.249 175.038 174.900 -0.185 0.000 1.305 657 G CA 0.363 45.362 45.100 -0.167 0.000 1.010 657 G HN 1.031 nan 8.290 nan 0.000 0.509 658 G N -1.297 107.404 108.800 -0.166 0.000 2.645 658 G HA2 0.132 4.092 3.960 -0.000 0.000 0.246 658 G HA3 0.132 4.092 3.960 -0.000 0.000 0.246 658 G C 0.247 175.024 174.900 -0.204 0.000 1.322 658 G CA 0.515 45.519 45.100 -0.159 0.000 0.898 658 G HN 1.887 nan 8.290 nan 0.000 0.573 659 S N -0.625 114.974 115.700 -0.170 0.000 2.733 659 S HA 0.537 5.007 4.470 -0.000 0.000 0.307 659 S C 0.934 175.423 174.600 -0.185 0.000 1.127 659 S CA 0.229 58.342 58.200 -0.145 0.000 1.097 659 S CB 1.349 64.564 63.200 0.025 0.000 1.003 659 S HN 0.531 nan 8.310 nan 0.000 0.477 660 E N 3.380 123.353 120.200 -0.378 0.000 2.153 660 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 660 E C 1.671 178.172 176.600 -0.164 0.000 0.988 660 E CA 1.470 57.662 56.400 -0.345 0.000 0.811 660 E CB -0.120 29.175 29.700 -0.674 0.000 0.746 660 E HN 0.935 nan 8.360 nan 0.000 0.466 661 I N -3.131 117.340 120.570 -0.165 0.000 3.419 661 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 661 I C 0.788 176.840 176.117 -0.107 0.000 1.268 661 I CA 0.572 61.805 61.300 -0.112 0.000 1.414 661 I CB 0.035 37.924 38.000 -0.185 0.000 1.074 661 I HN -0.036 nan 8.210 nan 0.000 0.457 662 G N 1.041 109.798 108.800 -0.072 0.000 2.770 662 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 662 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 662 G C -0.585 174.306 174.900 -0.014 0.000 1.180 662 G CA -0.192 44.881 45.100 -0.045 0.000 0.767 662 G HN 0.390 nan 8.290 nan 0.000 0.646 663 T N 0.570 115.128 114.554 0.006 0.000 2.993 663 T HA 0.748 5.098 4.350 -0.000 0.000 0.312 663 T C -0.475 174.228 174.700 0.005 0.000 1.115 663 T CA 0.175 62.292 62.100 0.028 0.000 1.027 663 T CB 1.260 70.158 68.868 0.050 0.000 1.116 663 T HN 2.047 nan 8.240 nan 0.000 0.464 664 N N 1.826 120.529 118.700 0.005 0.000 2.591 664 N HA 0.414 5.154 4.740 -0.000 0.000 0.263 664 N C 0.335 175.866 175.510 0.036 0.000 1.308 664 N CA -1.024 52.037 53.050 0.018 0.000 0.837 664 N CB 1.000 39.497 38.487 0.018 0.000 1.548 664 N HN 0.405 nan 8.380 nan 0.000 0.493 665 R N -0.148 120.382 120.500 0.050 0.000 2.237 665 R HA 0.014 4.354 4.340 -0.000 0.000 0.219 665 R C 0.130 176.488 176.300 0.097 0.000 1.080 665 R CA 0.789 56.933 56.100 0.074 0.000 0.995 665 R CB -0.459 29.885 30.300 0.073 0.000 0.875 665 R HN 0.780 nan 8.270 nan 0.000 0.462 666 S N 0.793 116.549 115.700 0.094 0.000 2.599 666 S HA 0.068 4.538 4.470 -0.000 0.000 0.303 666 S C 0.532 175.239 174.600 0.179 0.000 1.267 666 S CA -0.671 57.599 58.200 0.117 0.000 1.055 666 S CB 0.523 63.792 63.200 0.116 0.000 0.790 666 S HN 0.114 nan 8.310 nan 0.000 0.500 667 V N 0.401 120.395 119.914 0.133 0.000 2.966 667 V HA 0.836 4.956 4.120 -0.000 0.000 0.317 667 V C 1.433 177.510 176.094 -0.029 0.000 1.070 667 V CA -0.580 61.791 62.300 0.118 0.000 1.008 667 V CB 0.466 32.312 31.823 0.038 0.000 1.070 667 V HN 1.104 nan 8.190 nan 0.000 0.457 668 A N 1.326 123.949 122.820 -0.327 0.000 1.978 668 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 668 A C 2.196 179.527 177.584 -0.423 0.000 1.170 668 A CA 2.252 53.812 52.037 -0.795 0.000 0.636 668 A CB -1.084 17.199 19.000 -1.194 0.000 0.810 668 A HN 1.593 nan 8.150 nan 0.000 0.448 669 S N -0.242 115.296 115.700 -0.270 0.000 2.584 669 S HA -0.148 4.322 4.470 -0.000 0.000 0.240 669 S C 1.493 176.025 174.600 -0.113 0.000 0.975 669 S CA 1.143 59.238 58.200 -0.176 0.000 0.949 669 S CB -0.374 62.751 63.200 -0.125 0.000 0.761 669 S HN 0.738 nan 8.310 nan 0.000 0.536 670 E N 1.335 121.474 120.200 -0.102 0.000 2.204 670 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 670 E C 0.081 176.654 176.600 -0.045 0.000 0.990 670 E CA 1.179 57.552 56.400 -0.044 0.000 0.821 670 E CB 0.149 29.846 29.700 -0.005 0.000 0.750 670 E HN 0.518 nan 8.360 nan 0.000 0.477 671 D N -0.688 119.664 120.400 -0.081 0.000 3.785 671 D HA -0.050 4.590 4.640 -0.000 0.000 0.241 671 D C 0.415 176.646 176.300 -0.114 0.000 1.488 671 D CA -0.160 53.801 54.000 -0.066 0.000 0.912 671 D CB -0.392 40.393 40.800 -0.026 0.000 1.418 671 D HN 0.151 nan 8.370 nan 0.000 0.749 672 L N 1.287 122.422 121.223 -0.146 0.000 2.151 672 L HA -0.040 4.300 4.340 -0.000 0.000 0.215 672 L C 2.083 178.799 176.870 -0.256 0.000 1.084 672 L CA 2.820 57.543 54.840 -0.196 0.000 0.764 672 L CB -0.310 41.683 42.059 -0.109 0.000 0.891 672 L HN 0.430 nan 8.230 nan 0.000 0.435 673 G N -2.596 106.091 108.800 -0.189 0.000 2.505 673 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 673 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 673 G C 1.434 176.243 174.900 -0.152 0.000 1.237 673 G CA 0.957 45.937 45.100 -0.200 0.000 0.802 673 G HN 0.356 nan 8.290 nan 0.000 0.549 674 T N 1.546 116.049 114.554 -0.085 0.000 2.721 674 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 674 T C 2.340 177.095 174.700 0.092 0.000 1.038 674 T CA 1.206 63.285 62.100 -0.035 0.000 1.145 674 T CB -0.215 68.665 68.868 0.020 0.000 0.858 674 T HN 0.233 nan 8.240 nan 0.000 0.459 675 I N 1.156 121.737 120.570 0.019 0.000 2.099 675 I HA -0.227 3.943 4.170 -0.000 0.000 0.239 675 I C 2.977 179.035 176.117 -0.098 0.000 1.066 675 I CA 1.281 62.575 61.300 -0.010 0.000 1.324 675 I CB -0.688 37.136 38.000 -0.292 0.000 1.037 675 I HN 0.210 nan 8.210 nan 0.000 0.401 676 A N 0.483 123.189 122.820 -0.191 0.000 1.884 676 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 676 A C 2.301 179.814 177.584 -0.118 0.000 1.197 676 A CA 2.262 54.079 52.037 -0.366 0.000 0.637 676 A CB -1.421 17.057 19.000 -0.870 0.000 0.827 676 A HN 0.564 nan 8.150 nan 0.000 0.450 677 Y N -0.689 119.482 120.300 -0.214 0.000 2.062 677 Y HA -0.370 4.180 4.550 -0.000 0.000 0.276 677 Y C 2.212 178.039 175.900 -0.123 0.000 1.189 677 Y CA 2.318 60.289 58.100 -0.215 0.000 1.130 677 Y CB -0.813 37.430 38.460 -0.361 0.000 0.959 677 Y HN 0.435 nan 8.280 nan 0.000 0.499 678 Y N -2.045 118.269 120.300 0.024 0.000 2.314 678 Y HA -0.195 4.355 4.550 -0.000 0.000 0.293 678 Y C 2.197 178.166 175.900 0.115 0.000 1.129 678 Y CA 0.675 58.769 58.100 -0.009 0.000 1.201 678 Y CB -0.477 38.086 38.460 0.173 0.000 0.999 678 Y HN 0.112 nan 8.280 nan 0.000 0.541 679 F N 0.569 120.581 119.950 0.104 0.000 2.126 679 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 679 F C 2.546 178.319 175.800 -0.045 0.000 1.096 679 F CA 1.464 59.501 58.000 0.063 0.000 1.255 679 F CB -0.980 38.112 39.000 0.153 0.000 0.997 679 F HN 0.151 nan 8.300 nan 0.000 0.479 680 Q N 0.373 120.228 119.800 0.091 0.000 2.049 680 Q HA -0.220 4.120 4.340 -0.000 0.000 0.198 680 Q C 2.373 178.295 176.000 -0.131 0.000 0.971 680 Q CA 1.549 57.321 55.803 -0.051 0.000 0.833 680 Q CB -0.174 28.501 28.738 -0.106 0.000 0.896 680 Q HN 0.328 nan 8.270 nan 0.000 0.434 681 K N 0.152 120.404 120.400 -0.246 0.000 2.113 681 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 681 K C 1.133 177.651 176.600 -0.137 0.000 1.047 681 K CA 1.580 57.716 56.287 -0.251 0.000 0.928 681 K CB -0.005 32.277 32.500 -0.363 0.000 0.716 681 K HN 0.232 nan 8.250 nan 0.000 0.446 682 N N 1.013 119.640 118.700 -0.122 0.000 2.314 682 N HA -0.017 4.723 4.740 -0.000 0.000 0.200 682 N C -0.708 174.652 175.510 -0.250 0.000 1.135 682 N CA 0.253 53.175 53.050 -0.214 0.000 0.835 682 N CB 0.540 38.863 38.487 -0.273 0.000 0.989 682 N HN 0.093 nan 8.380 nan 0.000 0.478 683 K N 0.701 121.014 120.400 -0.146 0.000 3.177 683 K HA -0.184 4.136 4.320 -0.000 0.000 0.266 683 K C -0.209 176.319 176.600 -0.120 0.000 0.937 683 K CA 0.556 56.779 56.287 -0.106 0.000 0.702 683 K CB -2.016 30.437 32.500 -0.078 0.000 1.365 683 K HN 0.411 nan 8.250 nan 0.000 0.466 684 L N 0.674 121.812 121.223 -0.142 0.000 2.397 684 L HA 0.079 4.419 4.340 -0.000 0.000 0.271 684 L C 1.429 178.259 176.870 -0.066 0.000 1.148 684 L CA -0.007 54.741 54.840 -0.154 0.000 0.825 684 L CB 0.422 42.310 42.059 -0.285 0.000 1.117 684 L HN 0.081 nan 8.230 nan 0.000 0.456 685 D N 1.418 121.795 120.400 -0.039 0.000 2.417 685 D HA 0.210 4.850 4.640 -0.000 0.000 0.207 685 D C 0.640 176.937 176.300 -0.004 0.000 1.075 685 D CA 0.355 54.353 54.000 -0.002 0.000 0.851 685 D CB 1.455 42.267 40.800 0.021 0.000 0.976 685 D HN 0.684 nan 8.370 nan 0.000 0.505 686 G N 0.423 109.203 108.800 -0.034 0.000 2.660 686 G HA2 0.516 4.476 3.960 -0.000 0.000 0.290 686 G HA3 0.516 4.476 3.960 -0.000 0.000 0.290 686 G C -2.259 172.603 174.900 -0.065 0.000 1.432 686 G CA -0.551 44.537 45.100 -0.020 0.000 0.807 686 G HN 0.017 nan 8.290 nan 0.000 0.485 687 L N 0.092 121.304 121.223 -0.018 0.000 2.464 687 L HA 0.777 5.117 4.340 -0.000 0.000 0.266 687 L C -1.217 175.676 176.870 0.038 0.000 0.965 687 L CA -0.712 54.106 54.840 -0.036 0.000 0.833 687 L CB 1.876 43.923 42.059 -0.019 0.000 1.296 687 L HN 0.510 nan 8.230 nan 0.000 0.405 688 I N 5.747 126.336 120.570 0.032 0.000 2.389 688 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 688 I C -0.721 175.427 176.117 0.052 0.000 0.999 688 I CA -0.461 60.874 61.300 0.059 0.000 1.129 688 I CB 1.709 39.750 38.000 0.068 0.000 1.288 688 I HN 0.498 nan 8.210 nan 0.000 0.444 689 I N 7.332 127.937 120.570 0.057 0.000 2.354 689 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 689 I C -0.670 175.475 176.117 0.047 0.000 0.989 689 I CA -0.595 60.733 61.300 0.046 0.000 1.188 689 I CB 1.666 39.703 38.000 0.063 0.000 1.342 689 I HN 0.323 nan 8.210 nan 0.000 0.457 690 L N 6.305 127.564 121.223 0.061 0.000 2.298 690 L HA 0.821 5.161 4.340 -0.000 0.000 0.284 690 L C 0.287 177.137 176.870 -0.033 0.000 1.013 690 L CA -0.024 54.820 54.840 0.008 0.000 0.824 690 L CB 1.519 43.565 42.059 -0.023 0.000 1.221 690 L HN 0.868 nan 8.230 nan 0.000 0.418 691 G N 1.727 110.500 108.800 -0.045 0.000 2.323 691 G HA2 0.418 4.378 3.960 -0.000 0.000 0.291 691 G HA3 0.418 4.378 3.960 -0.000 0.000 0.291 691 G C -0.790 174.096 174.900 -0.024 0.000 1.278 691 G CA -0.060 45.015 45.100 -0.042 0.000 0.860 691 G HN 0.720 nan 8.290 nan 0.000 0.504 692 G N -1.320 107.483 108.800 0.005 0.000 2.945 692 G HA2 0.480 4.440 3.960 -0.000 0.000 0.156 692 G HA3 0.480 4.440 3.960 -0.000 0.000 0.156 692 G C 0.914 175.882 174.900 0.113 0.000 1.375 692 G CA 0.410 45.529 45.100 0.032 0.000 1.039 692 G HN 0.659 nan 8.290 nan 0.000 0.586 693 F N 0.776 120.740 119.950 0.023 0.000 2.065 693 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 693 F C 2.792 178.727 175.800 0.225 0.000 1.112 693 F CA 2.400 60.464 58.000 0.107 0.000 1.212 693 F CB -0.114 38.925 39.000 0.066 0.000 0.975 693 F HN 0.368 nan 8.300 nan 0.000 0.476 694 E N -0.122 120.216 120.200 0.231 0.000 2.171 694 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 694 E C 2.421 179.076 176.600 0.092 0.000 0.997 694 E CA 1.214 57.707 56.400 0.154 0.000 0.810 694 E CB -0.960 28.835 29.700 0.159 0.000 0.738 694 E HN 0.529 nan 8.360 nan 0.000 0.467 695 G N -0.440 108.415 108.800 0.092 0.000 2.394 695 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 695 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 695 G C 1.449 176.390 174.900 0.069 0.000 1.165 695 G CA 0.429 45.582 45.100 0.089 0.000 0.784 695 G HN 0.325 nan 8.290 nan 0.000 0.535 696 F N 1.466 121.329 119.950 -0.146 0.000 2.134 696 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 696 F C 2.645 178.293 175.800 -0.254 0.000 1.097 696 F CA 1.796 59.678 58.000 -0.197 0.000 1.264 696 F CB -0.093 38.741 39.000 -0.276 0.000 1.001 696 F HN 0.074 nan 8.300 nan 0.000 0.479 697 R N -0.240 120.139 120.500 -0.202 0.000 2.081 697 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 697 R C 2.318 178.380 176.300 -0.397 0.000 1.131 697 R CA 1.749 57.650 56.100 -0.331 0.000 0.960 697 R CB -0.537 29.718 30.300 -0.076 0.000 0.856 697 R HN 0.268 nan 8.270 nan 0.000 0.436 698 S N 1.032 116.614 115.700 -0.197 0.000 2.382 698 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 698 S C 1.679 176.119 174.600 -0.268 0.000 1.027 698 S CA 1.001 59.087 58.200 -0.190 0.000 0.991 698 S CB -0.246 63.007 63.200 0.088 0.000 0.823 698 S HN 0.279 nan 8.310 nan 0.000 0.469 699 L N 2.096 123.179 121.223 -0.234 0.000 2.046 699 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 699 L C 2.074 178.714 176.870 -0.385 0.000 1.077 699 L CA 1.846 56.538 54.840 -0.247 0.000 0.747 699 L CB -0.659 41.284 42.059 -0.194 0.000 0.896 699 L HN 0.058 nan 8.230 nan 0.000 0.432 700 K N -0.172 119.885 120.400 -0.571 0.000 2.002 700 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 700 K C 2.067 178.325 176.600 -0.570 0.000 1.048 700 K CA 1.975 57.846 56.287 -0.693 0.000 0.930 700 K CB -0.525 31.229 32.500 -1.242 0.000 0.714 700 K HN 0.543 nan 8.250 nan 0.000 0.438 701 Q N 0.080 119.539 119.800 -0.568 0.000 2.062 701 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 701 Q C 2.199 177.956 176.000 -0.406 0.000 0.996 701 Q CA 2.148 57.684 55.803 -0.444 0.000 0.859 701 Q CB -0.364 28.130 28.738 -0.406 0.000 0.920 701 Q HN 0.318 nan 8.270 nan 0.000 0.415 702 L N 0.241 121.178 121.223 -0.476 0.000 2.083 702 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 702 L C 2.705 179.376 176.870 -0.332 0.000 1.083 702 L CA 0.763 55.248 54.840 -0.591 0.000 0.752 702 L CB -0.515 41.144 42.059 -0.668 0.000 0.899 702 L HN 0.218 nan 8.230 nan 0.000 0.433 703 R N 0.857 121.198 120.500 -0.266 0.000 2.083 703 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 703 R C 1.696 177.926 176.300 -0.117 0.000 1.137 703 R CA 2.086 58.084 56.100 -0.170 0.000 0.951 703 R CB -0.593 29.588 30.300 -0.199 0.000 0.851 703 R HN 0.373 nan 8.270 nan 0.000 0.434 704 D N -0.792 119.512 120.400 -0.161 0.000 2.144 704 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 704 D C 1.698 177.987 176.300 -0.018 0.000 0.984 704 D CA 1.481 55.419 54.000 -0.104 0.000 0.834 704 D CB -0.665 40.046 40.800 -0.148 0.000 0.955 704 D HN 0.475 nan 8.370 nan 0.000 0.465 705 G N 0.606 109.420 108.800 0.023 0.000 2.535 705 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 705 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 705 G C 1.673 176.790 174.900 0.362 0.000 1.122 705 G CA 0.169 45.428 45.100 0.265 0.000 0.769 705 G HN 0.225 nan 8.290 nan 0.000 0.549 706 R N 0.105 120.743 120.500 0.229 0.000 2.091 706 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 706 R C 3.085 179.412 176.300 0.046 0.000 1.136 706 R CA 1.912 58.111 56.100 0.166 0.000 0.959 706 R CB -0.628 29.726 30.300 0.090 0.000 0.856 706 R HN 0.541 nan 8.270 nan 0.000 0.437 707 T N -0.787 113.772 114.554 0.008 0.000 2.652 707 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 707 T C 1.700 176.337 174.700 -0.104 0.000 1.039 707 T CA 1.411 63.487 62.100 -0.040 0.000 1.153 707 T CB -0.278 68.565 68.868 -0.040 0.000 0.863 707 T HN 0.359 nan 8.240 nan 0.000 0.428 708 Q N 0.490 120.190 119.800 -0.167 0.000 2.444 708 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 708 Q C -0.092 175.448 176.000 -0.768 0.000 0.948 708 Q CA 0.467 56.022 55.803 -0.414 0.000 0.946 708 Q CB 0.125 28.584 28.738 -0.465 0.000 1.027 708 Q HN 0.721 nan 8.270 nan 0.000 0.513 709 H N -0.962 118.019 119.070 -0.149 0.000 3.162 709 H HA 0.154 4.710 4.556 -0.000 0.000 0.309 709 H C -2.182 172.964 175.328 -0.304 0.000 1.156 709 H CA -1.886 53.950 56.048 -0.353 0.000 1.586 709 H CB 1.657 30.926 29.762 -0.822 0.000 1.740 709 H HN -0.088 nan 8.280 nan 0.000 0.525 710 P HA -0.183 nan 4.420 nan 0.000 0.216 710 P C 1.732 179.003 177.300 -0.049 0.000 1.154 710 P CA 0.762 63.822 63.100 -0.065 0.000 0.865 710 P CB 0.425 32.090 31.700 -0.059 0.000 0.789 711 I N -1.647 118.851 120.570 -0.121 0.000 2.423 711 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 711 I C 1.305 177.524 176.117 0.170 0.000 1.151 711 I CA 1.224 62.508 61.300 -0.026 0.000 1.421 711 I CB -0.886 37.081 38.000 -0.056 0.000 1.079 711 I HN -0.183 nan 8.210 nan 0.000 0.431 712 F N 0.413 120.419 119.950 0.093 0.000 2.805 712 F HA 0.043 4.570 4.527 -0.000 0.000 0.301 712 F C 1.919 177.740 175.800 0.035 0.000 1.196 712 F CA 0.198 58.245 58.000 0.079 0.000 1.439 712 F CB -1.488 37.522 39.000 0.018 0.000 1.117 712 F HN 0.229 nan 8.300 nan 0.000 0.581 713 N N 0.950 119.758 118.700 0.180 0.000 2.398 713 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 713 N C 0.884 176.425 175.510 0.051 0.000 1.122 713 N CA 0.139 53.237 53.050 0.080 0.000 0.866 713 N CB 0.489 39.004 38.487 0.046 0.000 0.970 713 N HN 0.345 nan 8.380 nan 0.000 0.462 714 I N -0.292 120.334 120.570 0.093 0.000 2.938 714 I HA 0.283 4.453 4.170 -0.000 0.000 0.285 714 I C -2.422 173.704 176.117 0.015 0.000 1.182 714 I CA -1.710 59.625 61.300 0.059 0.000 1.388 714 I CB -0.191 37.858 38.000 0.080 0.000 1.390 714 I HN -0.315 nan 8.210 nan 0.000 0.600 715 P HA 0.239 nan 4.420 nan 0.000 0.268 715 P C -0.943 176.379 177.300 0.037 0.000 1.205 715 P CA 0.236 63.284 63.100 -0.087 0.000 0.771 715 P CB 0.561 32.201 31.700 -0.099 0.000 0.858 716 M N 2.706 122.350 119.600 0.074 0.000 2.224 716 M HA 0.373 4.853 4.480 -0.000 0.000 0.281 716 M C -0.926 175.452 176.300 0.130 0.000 1.025 716 M CA -0.524 54.837 55.300 0.103 0.000 0.954 716 M CB 1.787 34.418 32.600 0.053 0.000 1.639 716 M HN 0.428 nan 8.290 nan 0.000 0.461 717 C N 1.457 120.826 119.300 0.114 0.000 2.802 717 C HA 0.922 5.382 4.460 -0.000 0.000 0.307 717 C C -0.955 174.049 174.990 0.024 0.000 1.222 717 C CA -1.080 57.949 59.018 0.017 0.000 1.580 717 C CB 1.357 29.027 27.740 -0.116 0.000 2.119 717 C HN 0.935 nan 8.230 nan 0.000 0.479 718 L N 2.128 123.351 121.223 -0.001 0.000 2.317 718 L HA 0.748 5.088 4.340 -0.000 0.000 0.281 718 L C -0.655 176.200 176.870 -0.025 0.000 1.024 718 L CA -0.743 54.104 54.840 0.012 0.000 0.810 718 L CB 0.992 43.076 42.059 0.042 0.000 1.240 718 L HN 0.772 nan 8.230 nan 0.000 0.427 719 I N 6.773 127.339 120.570 -0.006 0.000 2.330 719 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 719 I C -2.121 173.990 176.117 -0.009 0.000 1.025 719 I CA -1.882 59.413 61.300 -0.008 0.000 1.197 719 I CB 1.338 39.367 38.000 0.049 0.000 1.358 719 I HN 0.492 nan 8.210 nan 0.000 0.467 720 P HA 0.150 nan 4.420 nan 0.000 0.268 720 P C -0.906 176.340 177.300 -0.090 0.000 1.204 720 P CA -0.084 62.982 63.100 -0.057 0.000 0.768 720 P CB 0.810 32.456 31.700 -0.089 0.000 0.842 721 A N 1.947 124.699 122.820 -0.113 0.000 2.466 721 A HA 0.691 5.011 4.320 -0.000 0.000 0.284 721 A C -0.713 176.775 177.584 -0.159 0.000 1.049 721 A CA -0.340 51.603 52.037 -0.158 0.000 0.760 721 A CB 1.210 20.119 19.000 -0.151 0.000 1.274 721 A HN 0.491 nan 8.150 nan 0.000 0.412 722 T N 0.621 115.053 114.554 -0.203 0.000 3.230 722 T HA 0.314 4.664 4.350 -0.000 0.000 0.390 722 T C 0.800 175.365 174.700 -0.224 0.000 1.761 722 T CA 0.302 62.295 62.100 -0.178 0.000 1.129 722 T CB 0.495 69.283 68.868 -0.133 0.000 1.583 722 T HN 1.778 nan 8.240 nan 0.000 0.480 723 V N 2.267 122.064 119.914 -0.196 0.000 2.490 723 V HA 0.060 4.180 4.120 -0.000 0.000 0.250 723 V C 2.229 178.201 176.094 -0.203 0.000 1.061 723 V CA 2.195 64.374 62.300 -0.202 0.000 1.064 723 V CB -1.065 30.653 31.823 -0.176 0.000 0.670 723 V HN 0.764 nan 8.190 nan 0.000 0.461 724 S N 0.534 116.123 115.700 -0.185 0.000 2.442 724 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 724 S C 1.309 175.783 174.600 -0.211 0.000 1.007 724 S CA 1.172 59.269 58.200 -0.172 0.000 0.965 724 S CB -0.875 62.241 63.200 -0.140 0.000 0.773 724 S HN 0.823 nan 8.310 nan 0.000 0.504 725 N N 1.971 120.503 118.700 -0.280 0.000 2.721 725 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 725 N C -0.411 174.961 175.510 -0.231 0.000 1.072 725 N CA 0.870 53.700 53.050 -0.367 0.000 0.710 725 N CB -1.608 36.478 38.487 -0.669 0.000 0.993 725 N HN 0.659 nan 8.380 nan 0.000 0.547 726 N N -1.336 117.273 118.700 -0.152 0.000 2.380 726 N HA 0.126 4.866 4.740 -0.000 0.000 0.255 726 N C -0.726 174.742 175.510 -0.069 0.000 1.158 726 N CA -0.217 52.782 53.050 -0.086 0.000 0.878 726 N CB 0.196 38.635 38.487 -0.081 0.000 1.138 726 N HN 0.047 nan 8.380 nan 0.000 0.509 727 V N 2.021 121.857 119.914 -0.129 0.000 2.328 727 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 727 V C -2.111 173.792 176.094 -0.319 0.000 1.021 727 V CA -1.852 60.303 62.300 -0.241 0.000 0.838 727 V CB 1.470 33.171 31.823 -0.204 0.000 0.999 727 V HN 0.112 nan 8.190 nan 0.000 0.447 728 P HA 0.139 nan 4.420 nan 0.000 0.263 728 P C 1.037 178.231 177.300 -0.177 0.000 1.168 728 P CA 1.613 64.512 63.100 -0.336 0.000 0.759 728 P CB 0.470 31.884 31.700 -0.476 0.000 0.782 729 G N 0.963 109.734 108.800 -0.048 0.000 2.308 729 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.221 729 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.221 729 G C 0.356 175.225 174.900 -0.051 0.000 1.032 729 G CA 0.332 45.427 45.100 -0.007 0.000 0.623 729 G HN 0.832 nan 8.290 nan 0.000 0.506 730 T N -0.262 114.236 114.554 -0.094 0.000 2.908 730 T HA 0.613 4.963 4.350 -0.000 0.000 0.290 730 T C 0.707 175.292 174.700 -0.192 0.000 1.034 730 T CA 0.150 62.177 62.100 -0.123 0.000 1.010 730 T CB 1.963 70.762 68.868 -0.114 0.000 1.068 730 T HN 0.173 nan 8.240 nan 0.000 0.481 731 E N 1.390 121.440 120.200 -0.249 0.000 2.474 731 E HA 0.117 4.467 4.350 -0.000 0.000 0.194 731 E C -1.000 175.500 176.600 -0.167 0.000 1.041 731 E CA 0.093 56.199 56.400 -0.489 0.000 0.874 731 E CB 0.441 29.870 29.700 -0.451 0.000 0.914 731 E HN 0.483 nan 8.360 nan 0.000 0.498 732 Y N 0.897 121.078 120.300 -0.199 0.000 2.359 732 Y HA 0.153 4.703 4.550 -0.000 0.000 0.336 732 Y C -0.523 175.308 175.900 -0.115 0.000 1.098 732 Y CA -1.245 56.752 58.100 -0.172 0.000 1.272 732 Y CB 0.592 38.991 38.460 -0.101 0.000 1.112 732 Y HN -0.122 nan 8.280 nan 0.000 0.481 733 S N 4.790 120.049 115.700 -0.735 0.000 2.632 733 S HA 0.599 5.069 4.470 -0.000 0.000 0.267 733 S C -0.300 173.781 174.600 -0.865 0.000 1.276 733 S CA -0.816 57.050 58.200 -0.558 0.000 0.998 733 S CB 1.042 64.011 63.200 -0.386 0.000 0.953 733 S HN 0.656 nan 8.310 nan 0.000 0.547 734 L N 1.554 122.523 121.223 -0.424 0.000 2.397 734 L HA 0.507 4.847 4.340 -0.000 0.000 0.271 734 L C 1.607 178.287 176.870 -0.315 0.000 1.148 734 L CA 0.593 55.241 54.840 -0.319 0.000 0.825 734 L CB 0.496 42.468 42.059 -0.145 0.000 1.117 734 L HN 1.202 nan 8.230 nan 0.000 0.456 735 G N 1.688 110.351 108.800 -0.230 0.000 2.213 735 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 735 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 735 G C 0.703 175.481 174.900 -0.203 0.000 0.991 735 G CA 0.255 45.240 45.100 -0.191 0.000 0.629 735 G HN 0.419 nan 8.290 nan 0.000 0.517 736 V N 1.130 120.851 119.914 -0.322 0.000 2.287 736 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 736 V C 2.411 178.438 176.094 -0.112 0.000 1.053 736 V CA 3.117 65.257 62.300 -0.267 0.000 1.027 736 V CB -0.442 31.112 31.823 -0.448 0.000 0.646 736 V HN 0.577 nan 8.190 nan 0.000 0.447 737 D N -0.820 119.605 120.400 0.042 0.000 2.178 737 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 737 D C 2.109 178.357 176.300 -0.087 0.000 0.980 737 D CA 1.695 55.665 54.000 -0.050 0.000 0.842 737 D CB -0.003 40.755 40.800 -0.070 0.000 0.948 737 D HN 0.414 nan 8.370 nan 0.000 0.472 738 T N -1.065 113.441 114.554 -0.081 0.000 2.821 738 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 738 T C 2.103 176.747 174.700 -0.093 0.000 1.046 738 T CA 1.065 63.113 62.100 -0.086 0.000 1.139 738 T CB -0.626 68.186 68.868 -0.093 0.000 0.871 738 T HN 0.369 nan 8.240 nan 0.000 0.454 739 C N 1.189 120.420 119.300 -0.115 0.000 2.436 739 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 739 C C 2.616 177.540 174.990 -0.110 0.000 1.241 739 C CA 0.451 59.396 59.018 -0.121 0.000 1.721 739 C CB -1.491 26.161 27.740 -0.146 0.000 2.043 739 C HN 0.550 nan 8.230 nan 0.000 0.472 740 L N 1.260 122.402 121.223 -0.134 0.000 2.051 740 L HA -0.208 4.132 4.340 -0.000 0.000 0.214 740 L C 2.577 179.419 176.870 -0.048 0.000 1.076 740 L CA 1.986 56.751 54.840 -0.125 0.000 0.758 740 L CB -0.835 41.071 42.059 -0.255 0.000 0.890 740 L HN 0.517 nan 8.230 nan 0.000 0.433 741 N N -0.188 118.484 118.700 -0.046 0.000 2.106 741 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 741 N C 1.900 177.407 175.510 -0.005 0.000 1.029 741 N CA 1.477 54.520 53.050 -0.012 0.000 0.848 741 N CB -0.218 38.257 38.487 -0.019 0.000 1.007 741 N HN 0.309 nan 8.380 nan 0.000 0.423 742 A N 1.818 124.623 122.820 -0.025 0.000 1.917 742 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 742 A C 2.422 180.019 177.584 0.021 0.000 1.182 742 A CA 1.120 53.151 52.037 -0.009 0.000 0.633 742 A CB -0.858 18.118 19.000 -0.040 0.000 0.819 742 A HN 0.237 nan 8.150 nan 0.000 0.448 743 L N -0.944 120.272 121.223 -0.011 0.000 2.046 743 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 743 L C 2.594 179.508 176.870 0.073 0.000 1.077 743 L CA 1.166 56.011 54.840 0.009 0.000 0.747 743 L CB -0.589 41.449 42.059 -0.036 0.000 0.896 743 L HN 0.284 nan 8.230 nan 0.000 0.432 744 V N 0.545 120.490 119.914 0.050 0.000 2.214 744 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 744 V C 2.259 178.384 176.094 0.052 0.000 1.051 744 V CA 2.248 64.579 62.300 0.053 0.000 1.003 744 V CB -0.682 31.170 31.823 0.049 0.000 0.635 744 V HN 0.546 nan 8.190 nan 0.000 0.447 745 N N -0.928 117.800 118.700 0.047 0.000 2.132 745 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 745 N C 1.707 177.244 175.510 0.045 0.000 1.015 745 N CA 2.207 55.278 53.050 0.034 0.000 0.864 745 N CB -0.568 37.938 38.487 0.031 0.000 1.006 745 N HN 0.704 nan 8.380 nan 0.000 0.430 746 Y N 1.998 122.270 120.300 -0.047 0.000 2.133 746 Y HA -0.226 4.324 4.550 -0.000 0.000 0.287 746 Y C 2.826 178.672 175.900 -0.090 0.000 1.134 746 Y CA 2.417 60.480 58.100 -0.063 0.000 1.133 746 Y CB -0.647 37.779 38.460 -0.058 0.000 0.987 746 Y HN 0.203 nan 8.280 nan 0.000 0.502 747 T N -2.284 112.363 114.554 0.155 0.000 2.746 747 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 747 T C 1.586 176.228 174.700 -0.098 0.000 1.039 747 T CA 1.590 63.698 62.100 0.013 0.000 1.142 747 T CB -0.729 68.174 68.868 0.059 0.000 0.866 747 T HN 0.264 nan 8.240 nan 0.000 0.444 748 D N 1.788 122.156 120.400 -0.054 0.000 2.203 748 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 748 D C 1.779 178.010 176.300 -0.114 0.000 0.997 748 D CA 1.394 55.355 54.000 -0.065 0.000 0.863 748 D CB -0.449 40.329 40.800 -0.037 0.000 0.928 748 D HN 0.499 nan 8.370 nan 0.000 0.458 749 D N -0.513 119.781 120.400 -0.177 0.000 2.149 749 D HA -0.014 4.626 4.640 -0.000 0.000 0.206 749 D C 2.220 178.348 176.300 -0.287 0.000 0.967 749 D CA 0.411 54.285 54.000 -0.211 0.000 0.848 749 D CB -0.307 40.350 40.800 -0.238 0.000 0.998 749 D HN 0.399 nan 8.370 nan 0.000 0.474 750 I N -0.984 119.307 120.570 -0.466 0.000 2.394 750 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 750 I C 2.081 177.891 176.117 -0.511 0.000 1.136 750 I CA 1.154 62.076 61.300 -0.631 0.000 1.425 750 I CB -0.145 37.228 38.000 -1.044 0.000 1.079 750 I HN -0.149 nan 8.210 nan 0.000 0.425 751 K N 1.177 121.386 120.400 -0.319 0.000 2.032 751 K HA -0.298 4.022 4.320 -0.000 0.000 0.209 751 K C 2.393 178.961 176.600 -0.054 0.000 1.048 751 K CA 2.250 58.455 56.287 -0.136 0.000 0.927 751 K CB -0.272 32.183 32.500 -0.075 0.000 0.712 751 K HN 0.593 nan 8.250 nan 0.000 0.441 752 Q N -0.124 119.633 119.800 -0.073 0.000 2.364 752 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 752 Q C 1.768 177.773 176.000 0.008 0.000 0.970 752 Q CA 1.429 57.217 55.803 -0.025 0.000 0.888 752 Q CB 0.022 28.736 28.738 -0.041 0.000 0.951 752 Q HN 0.208 nan 8.270 nan 0.000 0.469 753 S N -0.896 114.805 115.700 0.000 0.000 2.425 753 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 753 S C 1.777 176.500 174.600 0.204 0.000 1.024 753 S CA 0.752 59.002 58.200 0.084 0.000 0.951 753 S CB -0.065 63.183 63.200 0.080 0.000 0.796 753 S HN 0.553 nan 8.310 nan 0.000 0.498 754 A N 0.712 123.716 122.820 0.307 0.000 1.897 754 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 754 A C 2.346 180.044 177.584 0.190 0.000 1.181 754 A CA 1.695 53.940 52.037 0.346 0.000 0.620 754 A CB -1.042 18.252 19.000 0.490 0.000 0.821 754 A HN 0.517 nan 8.150 nan 0.000 0.443 755 S N 0.099 115.884 115.700 0.142 0.000 2.383 755 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 755 S C 2.262 176.915 174.600 0.088 0.000 1.030 755 S CA 1.227 59.489 58.200 0.103 0.000 1.002 755 S CB -0.434 62.809 63.200 0.071 0.000 0.829 755 S HN 0.776 nan 8.310 nan 0.000 0.467 756 A N 1.593 124.461 122.820 0.080 0.000 1.858 756 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 756 A C 2.368 179.990 177.584 0.064 0.000 1.190 756 A CA 2.091 54.166 52.037 0.063 0.000 0.617 756 A CB -1.367 17.665 19.000 0.054 0.000 0.827 756 A HN 0.614 nan 8.150 nan 0.000 0.443 757 T N -3.857 110.742 114.554 0.076 0.000 3.160 757 T HA 0.295 4.645 4.350 -0.000 0.000 0.257 757 T C 0.510 175.247 174.700 0.061 0.000 1.147 757 T CA 0.372 62.508 62.100 0.060 0.000 1.064 757 T CB -0.189 68.712 68.868 0.054 0.000 0.949 757 T HN 0.382 nan 8.240 nan 0.000 0.526 758 R N 0.773 121.324 120.500 0.084 0.000 1.024 758 R HA -0.129 4.211 4.340 -0.000 0.000 0.429 758 R C -0.152 176.209 176.300 0.101 0.000 1.365 758 R CA 0.202 56.360 56.100 0.097 0.000 1.302 758 R CB -0.941 29.402 30.300 0.072 0.000 3.631 758 R HN 0.599 nan 8.270 nan 0.000 0.508 759 R N 0.144 120.742 120.500 0.164 0.000 2.711 759 R HA -0.268 4.072 4.340 -0.000 0.000 0.253 759 R C -0.107 176.189 176.300 -0.007 0.000 0.879 759 R CA 1.772 57.929 56.100 0.094 0.000 0.686 759 R CB -0.771 29.483 30.300 -0.077 0.000 1.618 759 R HN 0.558 nan 8.270 nan 0.000 0.525 760 R N 0.494 121.102 120.500 0.181 0.000 2.535 760 R HA 0.446 4.786 4.340 -0.000 0.000 0.274 760 R C -1.402 175.023 176.300 0.210 0.000 1.090 760 R CA -0.778 55.392 56.100 0.117 0.000 0.930 760 R CB 1.724 32.051 30.300 0.045 0.000 1.223 760 R HN 0.047 nan 8.270 nan 0.000 0.441 761 V N 4.364 124.347 119.914 0.116 0.000 2.581 761 V HA 0.580 4.700 4.120 -0.000 0.000 0.303 761 V C -0.789 175.315 176.094 0.016 0.000 1.041 761 V CA -0.564 61.813 62.300 0.128 0.000 0.907 761 V CB 1.636 33.525 31.823 0.109 0.000 0.994 761 V HN 0.597 nan 8.190 nan 0.000 0.442 762 F N 2.165 122.172 119.950 0.096 0.000 2.467 762 F HA 0.575 5.102 4.527 -0.000 0.000 0.336 762 F C 0.006 175.867 175.800 0.101 0.000 1.123 762 F CA -0.684 57.373 58.000 0.095 0.000 0.964 762 F CB 2.100 41.151 39.000 0.085 0.000 1.136 762 F HN 0.173 nan 8.300 nan 0.000 0.447 763 V N 3.701 123.781 119.914 0.277 0.000 2.333 763 V HA 0.175 4.295 4.120 -0.000 0.000 0.274 763 V C -0.407 175.825 176.094 0.230 0.000 1.028 763 V CA -0.702 61.730 62.300 0.220 0.000 0.851 763 V CB 1.090 33.006 31.823 0.155 0.000 1.000 763 V HN 0.855 nan 8.190 nan 0.000 0.456 764 C N 5.797 125.220 119.300 0.205 0.000 2.264 764 C HA 0.437 4.897 4.460 -0.000 0.000 0.324 764 C C 0.346 175.393 174.990 0.094 0.000 1.267 764 C CA -0.605 58.510 59.018 0.161 0.000 1.618 764 C CB -0.078 27.755 27.740 0.155 0.000 2.278 764 C HN 0.981 nan 8.230 nan 0.000 0.499 765 E N 4.347 124.581 120.200 0.057 0.000 2.229 765 E HA 0.463 4.813 4.350 -0.000 0.000 0.283 765 E C -0.935 175.639 176.600 -0.044 0.000 1.030 765 E CA -0.144 56.266 56.400 0.017 0.000 0.836 765 E CB 1.104 30.810 29.700 0.011 0.000 1.068 765 E HN 0.624 nan 8.360 nan 0.000 0.401 766 V N 4.111 123.998 119.914 -0.046 0.000 2.881 766 V HA 0.194 4.314 4.120 -0.000 0.000 0.316 766 V C 0.281 176.312 176.094 -0.105 0.000 1.070 766 V CA -0.600 61.646 62.300 -0.090 0.000 0.976 766 V CB 2.004 33.786 31.823 -0.069 0.000 1.038 766 V HN 0.812 nan 8.190 nan 0.000 0.446 767 Q N 1.071 120.787 119.800 -0.139 0.000 2.225 767 Q HA 0.525 4.865 4.340 -0.000 0.000 0.177 767 Q C 0.953 176.868 176.000 -0.142 0.000 1.073 767 Q CA 0.402 56.114 55.803 -0.152 0.000 1.134 767 Q CB 0.633 29.257 28.738 -0.190 0.000 1.210 767 Q HN 1.135 nan 8.270 nan 0.000 0.599 768 G N -1.465 107.245 108.800 -0.151 0.000 2.183 768 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.168 768 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.168 768 G C 0.536 175.352 174.900 -0.139 0.000 1.008 768 G CA -0.069 44.946 45.100 -0.142 0.000 0.677 768 G HN 1.114 nan 8.290 nan 0.000 0.498 769 G N 0.507 109.202 108.800 -0.174 0.000 2.651 769 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.315 769 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.315 769 G C 0.395 175.121 174.900 -0.291 0.000 1.258 769 G CA 0.730 45.674 45.100 -0.261 0.000 1.002 769 G HN 1.104 nan 8.290 nan 0.000 0.551 770 H N 0.926 119.966 119.070 -0.050 0.000 2.605 770 H HA 0.517 5.073 4.556 -0.000 0.000 0.308 770 H C 0.496 175.842 175.328 0.031 0.000 1.080 770 H CA 0.869 56.910 56.048 -0.013 0.000 1.119 770 H CB 0.022 29.763 29.762 -0.036 0.000 1.479 770 H HN 0.376 nan 8.280 nan 0.000 0.537 771 S N -0.024 115.727 115.700 0.084 0.000 2.745 771 S HA 0.336 4.806 4.470 -0.000 0.000 0.283 771 S C 1.202 175.773 174.600 -0.049 0.000 1.170 771 S CA -0.576 57.690 58.200 0.110 0.000 1.119 771 S CB 0.491 63.710 63.200 0.031 0.000 1.035 771 S HN 0.476 nan 8.310 nan 0.000 0.483 772 G N 2.924 111.749 108.800 0.041 0.000 2.990 772 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.206 772 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.206 772 G C 0.747 174.981 174.900 -1.109 0.000 1.169 772 G CA 0.159 45.135 45.100 -0.207 0.000 0.819 772 G HN 0.834 nan 8.290 nan 0.000 0.517 773 Y N 0.846 120.010 120.300 -1.893 0.000 2.114 773 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 773 Y C 2.374 177.800 175.900 -0.790 0.000 1.165 773 Y CA 1.490 58.341 58.100 -2.083 0.000 1.148 773 Y CB 0.030 37.605 38.460 -1.474 0.000 0.972 773 Y HN 0.177 nan 8.280 nan 0.000 0.504 774 I N 0.508 120.841 120.570 -0.395 0.000 2.202 774 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 774 I C 2.745 178.721 176.117 -0.236 0.000 1.091 774 I CA 1.515 62.656 61.300 -0.266 0.000 1.368 774 I CB -1.954 35.962 38.000 -0.141 0.000 1.058 774 I HN 0.425 nan 8.210 nan 0.000 0.410 775 A N 0.478 123.174 122.820 -0.206 0.000 1.873 775 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 775 A C 2.600 180.148 177.584 -0.061 0.000 1.193 775 A CA 2.557 54.536 52.037 -0.096 0.000 0.629 775 A CB -0.964 18.010 19.000 -0.044 0.000 0.826 775 A HN 0.445 nan 8.150 nan 0.000 0.447 776 S N -1.305 114.346 115.700 -0.082 0.000 2.351 776 S HA -0.174 4.296 4.470 -0.000 0.000 0.220 776 S C 1.705 176.337 174.600 0.053 0.000 1.035 776 S CA 1.548 59.789 58.200 0.068 0.000 1.031 776 S CB -0.649 62.734 63.200 0.304 0.000 0.928 776 S HN 0.573 nan 8.310 nan 0.000 0.433 777 F N 2.102 121.915 119.950 -0.229 0.000 2.091 777 F HA -0.236 4.291 4.527 0.000 0.000 0.299 777 F C 2.629 178.347 175.800 -0.136 0.000 1.103 777 F CA 1.761 59.630 58.000 -0.218 0.000 1.228 777 F CB -0.647 38.051 39.000 -0.504 0.000 0.984 777 F HN 0.152 nan 8.300 nan 0.000 0.477 778 T N -0.341 114.309 114.554 0.160 0.000 2.652 778 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 778 T C 2.101 176.823 174.700 0.036 0.000 1.039 778 T CA 1.445 63.605 62.100 0.101 0.000 1.153 778 T CB -1.210 67.677 68.868 0.031 0.000 0.863 778 T HN 0.497 nan 8.240 nan 0.000 0.428 779 G N 2.288 111.095 108.800 0.011 0.000 2.513 779 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 779 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 779 G C 1.499 176.377 174.900 -0.037 0.000 1.160 779 G CA 0.703 45.796 45.100 -0.011 0.000 0.767 779 G HN 0.369 nan 8.290 nan 0.000 0.571 780 L N 1.580 122.766 121.223 -0.062 0.000 1.989 780 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 780 L C 2.739 179.531 176.870 -0.131 0.000 1.071 780 L CA 2.235 57.001 54.840 -0.123 0.000 0.749 780 L CB -0.769 41.164 42.059 -0.211 0.000 0.890 780 L HN 0.552 nan 8.230 nan 0.000 0.431 781 I N -4.691 115.810 120.570 -0.115 0.000 3.646 781 I HA -0.024 4.146 4.170 -0.000 0.000 0.301 781 I C 1.395 177.499 176.117 -0.021 0.000 1.276 781 I CA 0.386 61.648 61.300 -0.063 0.000 1.254 781 I CB -0.315 37.687 38.000 0.003 0.000 1.020 781 I HN 0.038 nan 8.210 nan 0.000 0.473 782 T N 0.510 115.050 114.554 -0.024 0.000 2.969 782 T HA 0.304 4.654 4.350 -0.000 0.000 0.250 782 T C 1.361 176.046 174.700 -0.025 0.000 1.021 782 T CA 0.725 62.819 62.100 -0.010 0.000 1.003 782 T CB 0.316 69.188 68.868 0.006 0.000 1.040 782 T HN 0.667 nan 8.240 nan 0.000 0.492 783 G N 2.042 110.815 108.800 -0.044 0.000 2.143 783 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.248 783 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.248 783 G C 0.268 175.143 174.900 -0.042 0.000 0.991 783 G CA 0.048 45.117 45.100 -0.052 0.000 0.689 783 G HN 0.888 nan 8.290 nan 0.000 0.522 784 A N -0.435 122.364 122.820 -0.035 0.000 2.567 784 A HA 0.502 4.822 4.320 -0.000 0.000 0.240 784 A C 1.695 179.244 177.584 -0.058 0.000 1.053 784 A CA 0.919 52.936 52.037 -0.034 0.000 0.755 784 A CB 0.861 19.845 19.000 -0.026 0.000 0.978 784 A HN 1.647 nan 8.150 nan 0.000 0.507 785 V N 1.940 121.813 119.914 -0.068 0.000 3.217 785 V HA 0.209 4.329 4.120 -0.000 0.000 0.264 785 V C 0.792 176.814 176.094 -0.120 0.000 1.135 785 V CA 1.978 64.224 62.300 -0.091 0.000 1.142 785 V CB -0.277 31.479 31.823 -0.112 0.000 0.754 785 V HN 0.945 nan 8.190 nan 0.000 0.484 786 S N -1.088 114.524 115.700 -0.147 0.000 2.562 786 S HA 0.633 5.103 4.470 -0.000 0.000 0.274 786 S C -1.279 173.110 174.600 -0.353 0.000 1.160 786 S CA -0.433 57.594 58.200 -0.288 0.000 0.933 786 S CB 1.893 64.893 63.200 -0.332 0.000 1.100 786 S HN 0.141 nan 8.310 nan 0.000 0.468 787 V N 5.551 125.232 119.914 -0.388 0.000 2.407 787 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 787 V C -1.467 174.443 176.094 -0.308 0.000 1.018 787 V CA -0.587 61.558 62.300 -0.258 0.000 0.842 787 V CB 0.983 32.754 31.823 -0.087 0.000 0.996 787 V HN 0.880 nan 8.190 nan 0.000 0.426 788 Y N 3.281 123.605 120.300 0.041 0.000 2.404 788 Y HA 0.544 5.094 4.550 -0.000 0.000 0.344 788 Y C 1.030 176.971 175.900 0.068 0.000 0.970 788 Y CA -0.498 57.630 58.100 0.048 0.000 1.180 788 Y CB 1.336 39.820 38.460 0.040 0.000 1.138 788 Y HN 0.712 nan 8.280 nan 0.000 0.510 789 T N -0.244 114.434 114.554 0.206 0.000 2.940 789 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 789 T C -2.363 172.453 174.700 0.193 0.000 1.045 789 T CA -2.633 59.587 62.100 0.200 0.000 1.018 789 T CB 2.241 71.261 68.868 0.254 0.000 1.151 789 T HN 0.143 nan 8.240 nan 0.000 0.529 790 P HA 0.111 nan 4.420 nan 0.000 0.222 790 P C 0.910 178.294 177.300 0.139 0.000 1.153 790 P CA 0.589 63.794 63.100 0.174 0.000 0.798 790 P CB 0.089 31.914 31.700 0.208 0.000 0.796 791 E N -0.381 119.910 120.200 0.153 0.000 2.274 791 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 791 E C 0.868 177.492 176.600 0.040 0.000 0.996 791 E CA 0.886 57.327 56.400 0.068 0.000 0.840 791 E CB -0.364 29.337 29.700 0.003 0.000 0.772 791 E HN 0.185 nan 8.360 nan 0.000 0.491 792 K N 1.407 121.852 120.400 0.074 0.000 2.307 792 K HA 0.152 4.472 4.320 -0.000 0.000 0.263 792 K C -0.494 176.156 176.600 0.084 0.000 0.973 792 K CA -0.647 55.675 56.287 0.058 0.000 0.846 792 K CB 0.901 33.435 32.500 0.056 0.000 1.100 792 K HN -0.164 nan 8.250 nan 0.000 0.438 793 K N 4.659 125.097 120.400 0.064 0.000 2.527 793 K HA -0.000 4.320 4.320 -0.000 0.000 0.278 793 K C -0.562 176.100 176.600 0.103 0.000 0.981 793 K CA 0.342 56.675 56.287 0.077 0.000 1.009 793 K CB 0.364 32.897 32.500 0.054 0.000 0.895 793 K HN 0.575 nan 8.250 nan 0.000 0.493 794 I N 5.447 126.090 120.570 0.123 0.000 2.621 794 I HA 0.104 4.274 4.170 -0.000 0.000 0.276 794 I C -0.691 175.472 176.117 0.077 0.000 1.118 794 I CA -0.835 60.529 61.300 0.108 0.000 1.159 794 I CB 0.756 38.828 38.000 0.120 0.000 1.357 794 I HN 0.692 nan 8.210 nan 0.000 0.513 795 D N 4.462 124.887 120.400 0.042 0.000 2.449 795 D HA 0.330 4.970 4.640 -0.000 0.000 0.250 795 D C 1.093 177.373 176.300 -0.034 0.000 1.050 795 D CA -0.851 53.188 54.000 0.065 0.000 1.024 795 D CB 1.188 42.034 40.800 0.077 0.000 1.218 795 D HN 0.132 nan 8.370 nan 0.000 0.566 796 L N -0.028 121.209 121.223 0.023 0.000 2.089 796 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 796 L C 2.466 179.326 176.870 -0.016 0.000 1.079 796 L CA 1.950 56.785 54.840 -0.008 0.000 0.758 796 L CB -0.704 41.383 42.059 0.047 0.000 0.891 796 L HN 0.601 nan 8.230 nan 0.000 0.433 797 A N 0.481 123.304 122.820 0.005 0.000 1.841 797 A HA -0.288 4.031 4.320 -0.000 0.000 0.216 797 A C 2.549 180.135 177.584 0.003 0.000 1.199 797 A CA 2.600 54.642 52.037 0.007 0.000 0.621 797 A CB -1.047 17.962 19.000 0.014 0.000 0.835 797 A HN 0.535 nan 8.150 nan 0.000 0.445 798 S N 0.350 116.054 115.700 0.007 0.000 2.359 798 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 798 S C 1.899 176.521 174.600 0.036 0.000 1.039 798 S CA 1.707 59.923 58.200 0.027 0.000 1.042 798 S CB -1.034 62.201 63.200 0.058 0.000 0.915 798 S HN 0.465 nan 8.310 nan 0.000 0.439 799 I N 1.919 122.476 120.570 -0.021 0.000 2.248 799 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 799 I C 3.106 179.229 176.117 0.010 0.000 1.107 799 I CA 1.709 62.990 61.300 -0.032 0.000 1.373 799 I CB -0.390 37.487 38.000 -0.205 0.000 1.055 799 I HN 0.287 nan 8.210 nan 0.000 0.418 800 R N 0.432 120.931 120.500 -0.002 0.000 2.073 800 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 800 R C 2.253 178.567 176.300 0.023 0.000 1.134 800 R CA 1.441 57.550 56.100 0.015 0.000 0.952 800 R CB -0.366 29.940 30.300 0.010 0.000 0.850 800 R HN 0.365 nan 8.270 nan 0.000 0.433 801 E N 0.372 120.581 120.200 0.016 0.000 2.331 801 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 801 E C 0.755 177.361 176.600 0.009 0.000 1.008 801 E CA 1.099 57.503 56.400 0.008 0.000 0.843 801 E CB 0.168 29.867 29.700 -0.001 0.000 0.761 801 E HN 0.295 nan 8.360 nan 0.000 0.507 802 D N 0.087 120.507 120.400 0.033 0.000 2.149 802 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 802 D C 2.059 178.395 176.300 0.059 0.000 0.967 802 D CA 0.512 54.538 54.000 0.043 0.000 0.848 802 D CB -0.177 40.694 40.800 0.119 0.000 0.998 802 D HN 0.244 nan 8.370 nan 0.000 0.474 803 I N 1.340 121.961 120.570 0.085 0.000 2.194 803 I HA -0.294 3.876 4.170 -0.000 0.000 0.246 803 I C 2.247 178.430 176.117 0.110 0.000 1.093 803 I CA 1.086 62.462 61.300 0.127 0.000 1.355 803 I CB -0.519 37.548 38.000 0.112 0.000 1.046 803 I HN 0.013 nan 8.210 nan 0.000 0.413 804 T N 1.801 116.392 114.554 0.062 0.000 2.555 804 T HA -0.185 4.165 4.350 -0.000 0.000 0.264 804 T C 1.972 176.679 174.700 0.012 0.000 1.083 804 T CA 1.512 63.636 62.100 0.039 0.000 1.179 804 T CB -0.543 68.334 68.868 0.014 0.000 0.863 804 T HN 0.231 nan 8.240 nan 0.000 0.412 805 L N 0.553 121.761 121.223 -0.026 0.000 2.034 805 L HA -0.191 4.149 4.340 -0.000 0.000 0.217 805 L C 2.584 179.388 176.870 -0.110 0.000 1.077 805 L CA 1.543 56.334 54.840 -0.082 0.000 0.769 805 L CB -1.134 40.868 42.059 -0.096 0.000 0.890 805 L HN 0.280 nan 8.230 nan 0.000 0.435 806 L N -0.247 120.931 121.223 -0.075 0.000 1.910 806 L HA -0.259 4.081 4.340 -0.000 0.000 0.221 806 L C 2.693 179.580 176.870 0.028 0.000 1.084 806 L CA 1.461 56.227 54.840 -0.123 0.000 0.779 806 L CB -0.648 41.353 42.059 -0.096 0.000 0.888 806 L HN 0.183 nan 8.230 nan 0.000 0.432 807 K N -0.400 120.140 120.400 0.234 0.000 2.081 807 K HA -0.355 3.965 4.320 -0.000 0.000 0.222 807 K C 1.981 178.701 176.600 0.200 0.000 1.055 807 K CA 2.432 58.938 56.287 0.365 0.000 0.954 807 K CB -0.286 32.377 32.500 0.271 0.000 0.732 807 K HN 0.197 nan 8.250 nan 0.000 0.458 808 E N 1.117 121.356 120.200 0.066 0.000 2.007 808 E HA -0.255 4.095 4.350 -0.000 0.000 0.203 808 E C 1.642 178.135 176.600 -0.179 0.000 1.020 808 E CA 1.788 58.176 56.400 -0.021 0.000 0.845 808 E CB -0.703 28.960 29.700 -0.062 0.000 0.779 808 E HN 0.279 nan 8.360 nan 0.000 0.466 809 N N 0.059 118.571 118.700 -0.313 0.000 2.111 809 N HA -0.256 4.484 4.740 -0.000 0.000 0.197 809 N C 1.961 177.217 175.510 -0.423 0.000 1.011 809 N CA 1.883 54.622 53.050 -0.518 0.000 0.880 809 N CB -0.753 37.453 38.487 -0.470 0.000 1.031 809 N HN 0.290 nan 8.380 nan 0.000 0.444 810 F N 0.629 120.473 119.950 -0.176 0.000 2.293 810 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 810 F C 2.656 178.483 175.800 0.045 0.000 1.086 810 F CA 0.365 58.331 58.000 -0.057 0.000 1.375 810 F CB -0.029 38.964 39.000 -0.011 0.000 1.045 810 F HN 0.005 nan 8.300 nan 0.000 0.516 811 R N -0.563 120.085 120.500 0.246 0.000 2.170 811 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 811 R C 1.711 178.217 176.300 0.342 0.000 1.145 811 R CA 1.639 57.904 56.100 0.276 0.000 0.984 811 R CB -0.468 29.994 30.300 0.271 0.000 0.869 811 R HN 0.524 nan 8.270 nan 0.000 0.455 812 H N -0.491 118.620 119.070 0.068 0.000 2.275 812 H HA -0.067 4.489 4.556 -0.000 0.000 0.315 812 H C 1.264 176.629 175.328 0.062 0.000 1.058 812 H CA 0.425 56.497 56.048 0.040 0.000 1.387 812 H CB -0.227 29.535 29.762 0.000 0.000 1.435 812 H HN 0.243 nan 8.280 nan 0.000 0.530 813 D N 0.536 121.060 120.400 0.206 0.000 4.186 813 D HA -0.479 4.161 4.640 -0.000 0.000 0.245 813 D C 1.351 177.724 176.300 0.122 0.000 0.660 813 D CA 2.558 56.647 54.000 0.149 0.000 0.950 813 D CB -0.597 40.335 40.800 0.220 0.000 0.415 813 D HN 0.402 nan 8.370 nan 0.000 0.358 814 K N -1.147 119.322 120.400 0.115 0.000 10.031 814 K HA -0.272 4.048 4.320 -0.000 0.000 0.514 814 K C 1.812 178.454 176.600 0.069 0.000 0.374 814 K CA 4.531 60.867 56.287 0.081 0.000 1.951 814 K CB -2.033 30.505 32.500 0.064 0.000 0.736 814 K HN 1.004 nan 8.250 nan 0.000 1.121 815 G N 0.553 109.392 108.800 0.065 0.000 2.562 815 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.223 815 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.223 815 G C 0.628 175.564 174.900 0.061 0.000 1.102 815 G CA 2.043 47.177 45.100 0.057 0.000 0.742 815 G HN 0.813 nan 8.290 nan 0.000 0.587 816 E N -1.122 119.122 120.200 0.073 0.000 3.439 816 E HA -0.478 3.872 4.350 -0.000 0.000 0.385 816 E C 1.297 177.938 176.600 0.068 0.000 1.557 816 E CA 1.168 57.615 56.400 0.078 0.000 1.684 816 E CB -1.012 28.730 29.700 0.071 0.000 1.677 816 E HN 0.415 nan 8.360 nan 0.000 0.455 817 N N 0.914 119.650 118.700 0.060 0.000 2.700 817 N HA -0.329 4.411 4.740 -0.000 0.000 0.159 817 N C -0.095 175.448 175.510 0.055 0.000 0.208 817 N CA 2.916 55.997 53.050 0.052 0.000 1.846 817 N CB -0.601 37.914 38.487 0.046 0.000 1.187 817 N HN 0.414 nan 8.380 nan 0.000 0.424 818 R N 0.701 121.235 120.500 0.057 0.000 3.050 818 R HA 0.333 4.673 4.340 -0.000 0.000 0.275 818 R C -0.121 176.213 176.300 0.057 0.000 1.373 818 R CA -0.036 56.098 56.100 0.056 0.000 1.612 818 R CB -0.234 30.102 30.300 0.061 0.000 1.218 818 R HN 0.425 nan 8.270 nan 0.000 0.621 819 N N 0.326 119.064 118.700 0.064 0.000 2.194 819 N HA 0.034 4.774 4.740 -0.000 0.000 0.231 819 N C 0.076 175.622 175.510 0.060 0.000 1.247 819 N CA -0.148 52.935 53.050 0.055 0.000 0.884 819 N CB 1.025 39.557 38.487 0.075 0.000 1.146 819 N HN 0.412 nan 8.380 nan 0.000 0.516 820 G N 1.313 110.165 108.800 0.087 0.000 2.365 820 G HA2 0.126 4.086 3.960 -0.000 0.000 0.249 820 G HA3 0.126 4.086 3.960 -0.000 0.000 0.249 820 G C -0.329 174.619 174.900 0.079 0.000 1.288 820 G CA 0.271 45.448 45.100 0.128 0.000 0.887 820 G HN 0.150 nan 8.290 nan 0.000 0.524 821 K N 0.377 120.827 120.400 0.083 0.000 2.208 821 K HA 0.685 5.005 4.320 -0.000 0.000 0.247 821 K C -0.510 176.152 176.600 0.105 0.000 0.953 821 K CA -0.691 55.601 56.287 0.008 0.000 0.837 821 K CB 1.982 34.375 32.500 -0.178 0.000 1.131 821 K HN 0.448 nan 8.250 nan 0.000 0.431 822 L N -0.812 120.453 121.223 0.071 0.000 2.465 822 L HA 0.635 4.975 4.340 -0.000 0.000 0.257 822 L C -1.771 175.149 176.870 0.083 0.000 0.988 822 L CA -1.005 53.912 54.840 0.129 0.000 0.827 822 L CB 0.784 42.933 42.059 0.150 0.000 1.397 822 L HN 0.279 nan 8.230 nan 0.000 0.410 823 L N 2.072 123.372 121.223 0.129 0.000 2.325 823 L HA 0.770 5.110 4.340 -0.000 0.000 0.278 823 L C -0.334 176.616 176.870 0.133 0.000 1.023 823 L CA -0.485 54.425 54.840 0.118 0.000 0.811 823 L CB 2.050 44.245 42.059 0.227 0.000 1.249 823 L HN 0.500 nan 8.230 nan 0.000 0.431 824 V N 3.600 123.563 119.914 0.081 0.000 2.334 824 V HA 0.519 4.639 4.120 -0.000 0.000 0.281 824 V C -0.029 176.152 176.094 0.145 0.000 1.016 824 V CA -0.686 61.667 62.300 0.087 0.000 0.832 824 V CB 1.296 33.139 31.823 0.033 0.000 0.999 824 V HN 0.719 nan 8.190 nan 0.000 0.439 825 R N 4.773 125.383 120.500 0.184 0.000 2.437 825 R HA 0.370 4.710 4.340 -0.000 0.000 0.310 825 R C -0.237 176.129 176.300 0.110 0.000 0.955 825 R CA -0.584 55.651 56.100 0.226 0.000 0.851 825 R CB 1.135 31.568 30.300 0.222 0.000 1.161 825 R HN 0.758 nan 8.270 nan 0.000 0.446 826 N N 2.805 121.566 118.700 0.102 0.000 2.518 826 N HA -0.086 4.654 4.740 -0.000 0.000 0.266 826 N C 0.526 176.048 175.510 0.020 0.000 1.196 826 N CA 0.426 53.500 53.050 0.039 0.000 0.947 826 N CB 1.396 39.911 38.487 0.048 0.000 1.098 826 N HN 0.843 nan 8.380 nan 0.000 0.450 827 E N 1.141 121.323 120.200 -0.031 0.000 2.197 827 E HA -0.246 4.104 4.350 -0.000 0.000 0.205 827 E C 0.270 176.837 176.600 -0.054 0.000 1.029 827 E CA 1.641 58.008 56.400 -0.057 0.000 0.828 827 E CB 0.276 29.912 29.700 -0.107 0.000 0.737 827 E HN 0.589 nan 8.360 nan 0.000 0.464 828 Q N -1.805 117.960 119.800 -0.059 0.000 2.159 828 Q HA 0.235 4.575 4.340 -0.000 0.000 0.217 828 Q C 1.366 177.414 176.000 0.080 0.000 0.818 828 Q CA 0.503 56.288 55.803 -0.029 0.000 1.008 828 Q CB 1.164 29.782 28.738 -0.200 0.000 1.148 828 Q HN 0.265 nan 8.270 nan 0.000 0.491 829 A N 1.531 124.402 122.820 0.085 0.000 1.944 829 A HA -0.167 4.153 4.320 -0.000 0.000 0.222 829 A C 1.283 178.945 177.584 0.130 0.000 1.237 829 A CA 2.153 54.267 52.037 0.128 0.000 0.668 829 A CB -0.120 18.965 19.000 0.142 0.000 0.830 829 A HN 0.262 nan 8.150 nan 0.000 0.471 830 S N -3.012 112.751 115.700 0.106 0.000 2.592 830 S HA 0.404 4.874 4.470 -0.000 0.000 0.275 830 S C 0.682 175.312 174.600 0.049 0.000 1.169 830 S CA 0.329 58.590 58.200 0.102 0.000 0.958 830 S CB 1.292 64.600 63.200 0.180 0.000 1.095 830 S HN 0.917 nan 8.310 nan 0.000 0.471 831 S N 3.714 119.430 115.700 0.026 0.000 2.419 831 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 831 S C 1.587 176.151 174.600 -0.059 0.000 1.016 831 S CA 1.312 59.510 58.200 -0.003 0.000 0.974 831 S CB -0.399 62.802 63.200 0.002 0.000 0.786 831 S HN 0.555 nan 8.310 nan 0.000 0.492 832 V N -0.001 119.838 119.914 -0.125 0.000 2.331 832 V HA 0.097 4.217 4.120 -0.000 0.000 0.242 832 V C 0.469 176.350 176.094 -0.354 0.000 1.034 832 V CA 0.663 62.792 62.300 -0.285 0.000 1.027 832 V CB -0.507 31.044 31.823 -0.453 0.000 0.667 832 V HN 0.563 nan 8.190 nan 0.000 0.457 833 Y N 2.086 122.364 120.300 -0.038 0.000 2.594 833 Y HA 0.282 4.832 4.550 -0.000 0.000 0.344 833 Y C 1.082 176.938 175.900 -0.073 0.000 1.185 833 Y CA -0.408 57.650 58.100 -0.069 0.000 1.565 833 Y CB -0.035 38.355 38.460 -0.116 0.000 1.415 833 Y HN 0.224 nan 8.280 nan 0.000 0.488 834 S N -0.069 115.658 115.700 0.045 0.000 2.593 834 S HA 0.031 4.501 4.470 -0.000 0.000 0.269 834 S C 1.364 175.981 174.600 0.027 0.000 1.334 834 S CA -0.396 57.819 58.200 0.024 0.000 1.015 834 S CB 1.342 64.547 63.200 0.008 0.000 0.912 834 S HN 0.650 nan 8.310 nan 0.000 0.541 835 T N 1.563 116.130 114.554 0.022 0.000 2.685 835 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 835 T C 1.840 176.559 174.700 0.032 0.000 1.034 835 T CA 2.265 64.381 62.100 0.027 0.000 1.149 835 T CB -0.533 68.360 68.868 0.041 0.000 0.860 835 T HN 0.750 nan 8.240 nan 0.000 0.449 836 Q N 0.546 120.365 119.800 0.031 0.000 2.016 836 Q HA -0.009 4.331 4.340 -0.000 0.000 0.200 836 Q C 2.159 178.177 176.000 0.030 0.000 0.978 836 Q CA 1.236 57.057 55.803 0.030 0.000 0.833 836 Q CB -0.814 27.938 28.738 0.024 0.000 0.895 836 Q HN 0.453 nan 8.270 nan 0.000 0.427 837 L N -0.195 121.048 121.223 0.035 0.000 2.042 837 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 837 L C 2.032 178.941 176.870 0.066 0.000 1.076 837 L CA 1.648 56.520 54.840 0.054 0.000 0.749 837 L CB -0.883 41.217 42.059 0.068 0.000 0.893 837 L HN 0.416 nan 8.230 nan 0.000 0.432 838 L N -0.297 120.954 121.223 0.047 0.000 2.046 838 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 838 L C 2.524 179.397 176.870 0.006 0.000 1.077 838 L CA 2.019 56.849 54.840 -0.017 0.000 0.747 838 L CB -1.166 40.818 42.059 -0.125 0.000 0.896 838 L HN 0.344 nan 8.230 nan 0.000 0.432 839 A N -1.042 121.794 122.820 0.027 0.000 1.898 839 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 839 A C 1.973 179.578 177.584 0.036 0.000 1.181 839 A CA 1.725 53.788 52.037 0.043 0.000 0.620 839 A CB -0.640 18.384 19.000 0.041 0.000 0.819 839 A HN 0.483 nan 8.150 nan 0.000 0.442 840 D N 0.060 120.475 120.400 0.025 0.000 2.117 840 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 840 D C 1.872 178.181 176.300 0.016 0.000 0.982 840 D CA 0.946 54.955 54.000 0.014 0.000 0.828 840 D CB -0.351 40.456 40.800 0.012 0.000 0.967 840 D HN 0.495 nan 8.370 nan 0.000 0.464 841 I N 0.801 121.389 120.570 0.029 0.000 2.208 841 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 841 I C 2.341 178.474 176.117 0.027 0.000 1.097 841 I CA 0.842 62.159 61.300 0.029 0.000 1.363 841 I CB -0.082 37.943 38.000 0.041 0.000 1.051 841 I HN -0.040 nan 8.210 nan 0.000 0.413 842 I N -0.208 120.391 120.570 0.047 0.000 2.286 842 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 842 I C 2.585 178.739 176.117 0.063 0.000 1.104 842 I CA 0.992 62.351 61.300 0.099 0.000 1.397 842 I CB -0.274 37.827 38.000 0.167 0.000 1.072 842 I HN 0.141 nan 8.210 nan 0.000 0.417 843 S N 0.386 116.098 115.700 0.019 0.000 2.351 843 S HA -0.272 4.198 4.470 -0.000 0.000 0.220 843 S C 1.910 176.430 174.600 -0.134 0.000 1.035 843 S CA 1.484 59.637 58.200 -0.078 0.000 1.031 843 S CB -0.433 62.733 63.200 -0.057 0.000 0.928 843 S HN 0.427 nan 8.310 nan 0.000 0.433 844 E N 0.684 120.840 120.200 -0.073 0.000 2.219 844 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 844 E C 1.943 178.492 176.600 -0.086 0.000 0.998 844 E CA 0.987 57.344 56.400 -0.072 0.000 0.818 844 E CB -0.147 29.532 29.700 -0.035 0.000 0.741 844 E HN 0.536 nan 8.360 nan 0.000 0.477 845 A N 0.237 123.011 122.820 -0.077 0.000 2.030 845 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 845 A C 2.151 179.639 177.584 -0.159 0.000 1.164 845 A CA 0.952 52.949 52.037 -0.066 0.000 0.697 845 A CB -0.189 18.817 19.000 0.010 0.000 0.827 845 A HN 0.331 nan 8.150 nan 0.000 0.457 846 S N 0.083 115.568 115.700 -0.358 0.000 2.382 846 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 846 S C 0.814 175.109 174.600 -0.509 0.000 1.027 846 S CA 1.162 58.856 58.200 -0.843 0.000 0.991 846 S CB -0.551 61.676 63.200 -1.621 0.000 0.823 846 S HN 0.520 nan 8.310 nan 0.000 0.469 847 K N 0.930 121.131 120.400 -0.331 0.000 3.939 847 K HA -0.121 4.199 4.320 -0.000 0.000 0.281 847 K C 0.821 177.282 176.600 -0.233 0.000 0.981 847 K CA 0.087 56.245 56.287 -0.214 0.000 0.833 847 K CB -2.143 30.271 32.500 -0.143 0.000 1.501 847 K HN 0.860 nan 8.250 nan 0.000 0.445 848 G N 0.789 109.438 108.800 -0.251 0.000 2.230 848 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.270 848 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.270 848 G C 1.003 175.760 174.900 -0.238 0.000 0.987 848 G CA 1.336 46.308 45.100 -0.213 0.000 0.664 848 G HN 0.566 nan 8.290 nan 0.000 0.539 849 K N -0.906 119.300 120.400 -0.323 0.000 2.211 849 K HA 0.213 4.533 4.320 -0.000 0.000 0.203 849 K C 0.779 177.231 176.600 -0.246 0.000 1.050 849 K CA 1.352 57.495 56.287 -0.239 0.000 0.945 849 K CB -0.054 32.346 32.500 -0.167 0.000 0.732 849 K HN 0.788 nan 8.250 nan 0.000 0.451 850 F N -2.928 116.833 119.950 -0.314 0.000 2.713 850 F HA 0.561 5.088 4.527 -0.000 0.000 0.311 850 F C -0.495 175.135 175.800 -0.284 0.000 1.141 850 F CA -1.615 56.108 58.000 -0.461 0.000 0.939 850 F CB 0.585 38.958 39.000 -1.045 0.000 1.325 850 F HN -0.210 nan 8.300 nan 0.000 0.453 851 G N 0.581 109.416 108.800 0.059 0.000 2.417 851 G HA2 0.647 4.607 3.960 -0.000 0.000 0.334 851 G HA3 0.647 4.607 3.960 -0.000 0.000 0.334 851 G C -1.872 173.070 174.900 0.070 0.000 1.150 851 G CA -1.125 43.983 45.100 0.014 0.000 0.923 851 G HN 0.713 nan 8.290 nan 0.000 0.485 852 V N 1.586 121.498 119.914 -0.004 0.000 2.735 852 V HA 0.737 4.857 4.120 -0.000 0.000 0.310 852 V C -0.446 175.550 176.094 -0.164 0.000 1.061 852 V CA -1.021 61.256 62.300 -0.039 0.000 0.913 852 V CB 1.959 33.817 31.823 0.058 0.000 1.005 852 V HN 0.727 nan 8.190 nan 0.000 0.428 853 R N 1.174 121.495 120.500 -0.297 0.000 2.740 853 R HA 0.656 4.996 4.340 -0.000 0.000 0.273 853 R C -0.596 175.665 176.300 -0.065 0.000 0.998 853 R CA -0.578 55.340 56.100 -0.303 0.000 0.900 853 R CB 2.393 32.257 30.300 -0.726 0.000 1.223 853 R HN 0.934 nan 8.270 nan 0.000 0.466 854 T N -1.517 113.088 114.554 0.085 0.000 2.929 854 T HA 0.848 5.198 4.350 -0.000 0.000 0.284 854 T C -0.245 174.637 174.700 0.303 0.000 1.014 854 T CA -0.824 61.384 62.100 0.181 0.000 1.051 854 T CB 1.978 70.913 68.868 0.112 0.000 1.028 854 T HN 0.564 nan 8.240 nan 0.000 0.485 855 A N 2.243 125.238 122.820 0.292 0.000 2.375 855 A HA 0.714 5.034 4.320 -0.000 0.000 0.295 855 A C -0.491 177.188 177.584 0.159 0.000 1.066 855 A CA -0.957 51.259 52.037 0.299 0.000 0.722 855 A CB 0.730 19.953 19.000 0.372 0.000 1.206 855 A HN 0.897 nan 8.150 nan 0.000 0.435 856 I N 4.021 124.657 120.570 0.109 0.000 2.833 856 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 856 I C -1.840 174.210 176.117 -0.111 0.000 1.287 856 I CA -1.571 59.724 61.300 -0.007 0.000 1.046 856 I CB 1.409 39.423 38.000 0.024 0.000 1.612 856 I HN 0.421 nan 8.210 nan 0.000 0.585 857 P HA -0.242 nan 4.420 nan 0.000 0.222 857 P C 1.153 178.304 177.300 -0.248 0.000 1.159 857 P CA 2.089 64.788 63.100 -0.668 0.000 0.920 857 P CB 0.133 31.265 31.700 -0.946 0.000 0.793 858 G N -2.016 106.662 108.800 -0.202 0.000 2.512 858 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.240 858 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.240 858 G C 0.479 175.291 174.900 -0.148 0.000 1.246 858 G CA 0.523 45.557 45.100 -0.110 0.000 0.919 858 G HN 0.322 nan 8.290 nan 0.000 0.577 859 H N 0.687 119.707 119.070 -0.084 0.000 2.541 859 H HA 0.071 4.627 4.556 -0.000 0.000 0.289 859 H C 2.669 177.949 175.328 -0.080 0.000 1.054 859 H CA 1.969 57.971 56.048 -0.077 0.000 1.250 859 H CB -0.226 29.502 29.762 -0.058 0.000 1.369 859 H HN 0.846 nan 8.280 nan 0.000 0.578 860 V N -1.844 118.065 119.914 -0.009 0.000 2.970 860 V HA -0.189 3.931 4.120 -0.000 0.000 0.260 860 V C 1.616 177.665 176.094 -0.075 0.000 1.100 860 V CA 1.221 63.504 62.300 -0.028 0.000 1.122 860 V CB -0.341 31.474 31.823 -0.013 0.000 0.721 860 V HN 0.368 nan 8.190 nan 0.000 0.483 861 Q N 0.260 119.984 119.800 -0.128 0.000 2.364 861 Q HA -0.177 4.163 4.340 -0.000 0.000 0.209 861 Q C 2.264 178.187 176.000 -0.128 0.000 0.977 861 Q CA 1.572 57.288 55.803 -0.144 0.000 0.885 861 Q CB -0.283 28.344 28.738 -0.185 0.000 0.941 861 Q HN 0.739 nan 8.270 nan 0.000 0.464 862 Q N -0.245 119.488 119.800 -0.113 0.000 2.224 862 Q HA 0.013 4.353 4.340 -0.000 0.000 0.203 862 Q C 0.539 176.483 176.000 -0.095 0.000 0.970 862 Q CA 0.620 56.361 55.803 -0.103 0.000 0.865 862 Q CB 0.267 28.964 28.738 -0.069 0.000 0.922 862 Q HN 0.396 nan 8.270 nan 0.000 0.445 863 G N -1.776 106.977 108.800 -0.078 0.000 2.619 863 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 863 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 863 G C 0.104 174.963 174.900 -0.068 0.000 1.256 863 G CA -0.572 44.483 45.100 -0.074 0.000 0.826 863 G HN 0.270 nan 8.290 nan 0.000 0.619 864 G N -1.388 107.372 108.800 -0.067 0.000 2.865 864 G HA2 0.510 4.470 3.960 -0.000 0.000 0.204 864 G HA3 0.510 4.470 3.960 -0.000 0.000 0.204 864 G C 0.162 175.008 174.900 -0.090 0.000 1.140 864 G CA 0.997 46.056 45.100 -0.068 0.000 0.842 864 G HN 1.470 nan 8.290 nan 0.000 0.631 865 V N 3.217 123.076 119.914 -0.093 0.000 2.540 865 V HA 0.428 4.547 4.120 -0.000 0.000 0.302 865 V C -2.075 173.954 176.094 -0.107 0.000 1.035 865 V CA -1.733 60.500 62.300 -0.112 0.000 0.873 865 V CB 2.436 34.189 31.823 -0.117 0.000 0.992 865 V HN 0.198 nan 8.190 nan 0.000 0.428 866 P HA 0.093 nan 4.420 nan 0.000 0.268 866 P C -0.147 177.100 177.300 -0.088 0.000 1.205 866 P CA 0.091 63.129 63.100 -0.104 0.000 0.771 866 P CB 0.761 32.396 31.700 -0.109 0.000 0.858 867 S N 1.059 116.712 115.700 -0.078 0.000 2.585 867 S HA 0.051 4.521 4.470 -0.000 0.000 0.273 867 S C 1.698 176.263 174.600 -0.059 0.000 1.339 867 S CA 0.109 58.269 58.200 -0.066 0.000 1.028 867 S CB 0.217 63.375 63.200 -0.069 0.000 0.906 867 S HN 0.578 nan 8.310 nan 0.000 0.528 868 S N 1.766 117.446 115.700 -0.034 0.000 2.392 868 S HA -0.282 4.188 4.470 -0.000 0.000 0.232 868 S C 1.704 176.290 174.600 -0.024 0.000 1.041 868 S CA 1.492 59.682 58.200 -0.016 0.000 1.026 868 S CB -0.713 62.502 63.200 0.026 0.000 0.845 868 S HN 0.857 nan 8.310 nan 0.000 0.465 869 K N 1.008 121.371 120.400 -0.061 0.000 2.025 869 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 869 K C 1.681 178.196 176.600 -0.142 0.000 1.049 869 K CA 1.713 57.919 56.287 -0.134 0.000 0.933 869 K CB -0.373 31.898 32.500 -0.383 0.000 0.714 869 K HN 0.322 nan 8.250 nan 0.000 0.438 870 D N 0.493 120.828 120.400 -0.107 0.000 2.144 870 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 870 D C 2.056 178.299 176.300 -0.095 0.000 0.984 870 D CA 0.915 54.868 54.000 -0.078 0.000 0.834 870 D CB 0.066 40.831 40.800 -0.059 0.000 0.955 870 D HN 0.259 nan 8.370 nan 0.000 0.465 871 R N 0.266 120.719 120.500 -0.079 0.000 2.081 871 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 871 R C 2.422 178.681 176.300 -0.069 0.000 1.131 871 R CA 0.785 56.851 56.100 -0.057 0.000 0.960 871 R CB -0.333 29.951 30.300 -0.026 0.000 0.856 871 R HN 0.093 nan 8.270 nan 0.000 0.436 872 V N 0.426 120.286 119.914 -0.089 0.000 2.379 872 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 872 V C 2.163 178.163 176.094 -0.157 0.000 1.044 872 V CA 2.033 64.269 62.300 -0.107 0.000 1.036 872 V CB -0.526 31.230 31.823 -0.112 0.000 0.664 872 V HN 0.377 nan 8.190 nan 0.000 0.453 873 T N 0.724 115.139 114.554 -0.233 0.000 2.720 873 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 873 T C 2.099 176.534 174.700 -0.441 0.000 1.037 873 T CA 1.681 63.509 62.100 -0.453 0.000 1.144 873 T CB -0.464 68.071 68.868 -0.556 0.000 0.864 873 T HN 0.563 nan 8.240 nan 0.000 0.444 874 A N 0.956 123.633 122.820 -0.239 0.000 1.908 874 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 874 A C 2.570 180.127 177.584 -0.045 0.000 1.181 874 A CA 2.172 54.140 52.037 -0.116 0.000 0.627 874 A CB -1.041 17.914 19.000 -0.075 0.000 0.818 874 A HN 0.456 nan 8.150 nan 0.000 0.445 875 S N -0.989 114.676 115.700 -0.058 0.000 2.383 875 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 875 S C 2.181 176.770 174.600 -0.019 0.000 1.026 875 S CA 1.336 59.517 58.200 -0.032 0.000 0.981 875 S CB -0.276 62.904 63.200 -0.034 0.000 0.818 875 S HN 0.632 nan 8.310 nan 0.000 0.472 876 R N -0.424 120.068 120.500 -0.013 0.000 2.062 876 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 876 R C 2.040 178.478 176.300 0.230 0.000 1.136 876 R CA 1.628 57.774 56.100 0.076 0.000 0.948 876 R CB -0.495 29.866 30.300 0.102 0.000 0.845 876 R HN 0.379 nan 8.270 nan 0.000 0.430 877 F N 0.957 120.877 119.950 -0.050 0.000 2.171 877 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 877 F C 2.529 178.307 175.800 -0.036 0.000 1.090 877 F CA 0.739 58.708 58.000 -0.053 0.000 1.293 877 F CB -1.190 37.774 39.000 -0.060 0.000 1.013 877 F HN 0.074 nan 8.300 nan 0.000 0.486 878 A N 0.098 123.010 122.820 0.152 0.000 1.877 878 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 878 A C 2.491 180.069 177.584 -0.009 0.000 1.186 878 A CA 2.103 54.181 52.037 0.067 0.000 0.620 878 A CB -1.216 17.808 19.000 0.040 0.000 0.822 878 A HN 0.158 nan 8.150 nan 0.000 0.443 879 V N 0.340 120.189 119.914 -0.109 0.000 2.261 879 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 879 V C 2.408 178.388 176.094 -0.190 0.000 1.047 879 V CA 2.355 64.435 62.300 -0.368 0.000 1.015 879 V CB -0.799 30.706 31.823 -0.530 0.000 0.642 879 V HN 0.545 nan 8.190 nan 0.000 0.446 880 K N -0.748 119.643 120.400 -0.014 0.000 2.173 880 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 880 K C 2.167 178.927 176.600 0.266 0.000 1.046 880 K CA 1.838 58.206 56.287 0.134 0.000 0.929 880 K CB -0.531 32.060 32.500 0.151 0.000 0.720 880 K HN 0.492 nan 8.250 nan 0.000 0.453 881 C N 0.509 119.943 119.300 0.223 0.000 2.475 881 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 881 C C 2.509 177.616 174.990 0.195 0.000 1.322 881 C CA -0.012 59.157 59.018 0.252 0.000 1.734 881 C CB -0.526 27.323 27.740 0.181 0.000 2.005 881 C HN 0.389 nan 8.230 nan 0.000 0.495 882 I N 1.499 122.136 120.570 0.113 0.000 2.179 882 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 882 I C 2.434 178.649 176.117 0.163 0.000 1.088 882 I CA 1.645 63.018 61.300 0.121 0.000 1.357 882 I CB -1.267 36.844 38.000 0.185 0.000 1.051 882 I HN 0.411 nan 8.210 nan 0.000 0.409 883 K N 0.169 120.672 120.400 0.172 0.000 2.020 883 K HA -0.256 4.064 4.320 -0.000 0.000 0.212 883 K C 2.174 178.854 176.600 0.133 0.000 1.050 883 K CA 1.859 58.261 56.287 0.192 0.000 0.929 883 K CB -0.513 32.085 32.500 0.163 0.000 0.714 883 K HN 0.184 nan 8.250 nan 0.000 0.443 884 F N 1.753 121.653 119.950 -0.083 0.000 2.161 884 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 884 F C 1.802 177.597 175.800 -0.008 0.000 1.089 884 F CA 1.338 59.208 58.000 -0.217 0.000 1.282 884 F CB -0.065 38.498 39.000 -0.728 0.000 1.010 884 F HN -0.045 nan 8.300 nan 0.000 0.485 885 I N 0.182 120.831 120.570 0.132 0.000 2.202 885 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 885 I C 2.299 178.411 176.117 -0.007 0.000 1.091 885 I CA 1.564 62.888 61.300 0.040 0.000 1.368 885 I CB -0.658 37.381 38.000 0.064 0.000 1.058 885 I HN 0.206 nan 8.210 nan 0.000 0.410 886 E N 0.776 120.991 120.200 0.024 0.000 2.033 886 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 886 E C 2.204 178.796 176.600 -0.014 0.000 1.011 886 E CA 1.551 57.983 56.400 0.053 0.000 0.815 886 E CB -0.210 29.582 29.700 0.155 0.000 0.755 886 E HN 0.525 nan 8.360 nan 0.000 0.451 887 Q N -0.261 119.491 119.800 -0.080 0.000 2.062 887 Q HA -0.231 4.109 4.340 -0.000 0.000 0.209 887 Q C 2.047 177.856 176.000 -0.317 0.000 0.996 887 Q CA 1.944 57.618 55.803 -0.215 0.000 0.859 887 Q CB -0.395 28.163 28.738 -0.300 0.000 0.920 887 Q HN 0.423 nan 8.270 nan 0.000 0.415 888 W N 0.895 121.996 121.300 -0.332 0.000 2.388 888 W HA -0.128 4.532 4.660 -0.000 0.000 0.294 888 W C 2.132 178.549 176.519 -0.170 0.000 1.212 888 W CA 1.014 58.178 57.345 -0.302 0.000 1.271 888 W CB -0.344 28.840 29.460 -0.461 0.000 1.126 888 W HN 0.230 nan 8.180 nan 0.000 0.535 889 N N 0.597 119.345 118.700 0.080 0.000 2.166 889 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 889 N C 1.665 177.194 175.510 0.032 0.000 1.019 889 N CA 1.641 54.728 53.050 0.061 0.000 0.856 889 N CB -0.201 38.316 38.487 0.050 0.000 0.993 889 N HN 0.038 nan 8.380 nan 0.000 0.426 890 K N 0.073 120.468 120.400 -0.008 0.000 2.167 890 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 890 K C 1.428 177.998 176.600 -0.051 0.000 1.052 890 K CA 0.715 56.987 56.287 -0.024 0.000 0.956 890 K CB 0.050 32.529 32.500 -0.036 0.000 0.735 890 K HN -0.095 nan 8.250 nan 0.000 0.451 891 K N 1.185 121.523 120.400 -0.104 0.000 2.574 891 K HA -0.009 4.311 4.320 -0.000 0.000 0.193 891 K C -0.796 175.787 176.600 -0.028 0.000 1.035 891 K CA 0.447 56.648 56.287 -0.143 0.000 0.982 891 K CB 0.030 32.300 32.500 -0.383 0.000 0.795 891 K HN 0.101 nan 8.250 nan 0.000 0.491 892 N N 1.726 120.440 118.700 0.023 0.000 2.617 892 N HA 0.155 4.895 4.740 -0.000 0.000 0.263 892 N C -1.126 174.402 175.510 0.030 0.000 1.074 892 N CA -0.408 52.673 53.050 0.053 0.000 0.841 892 N CB 1.431 39.975 38.487 0.095 0.000 1.221 892 N HN 0.041 nan 8.380 nan 0.000 0.529 921 D N 0.654 121.014 120.400 -0.067 0.000 2.347 921 D HA -0.044 4.596 4.640 -0.000 0.000 0.213 921 D C 0.635 176.846 176.300 -0.148 0.000 0.985 921 D CA 0.311 54.246 54.000 -0.110 0.000 0.879 921 D CB 0.234 41.003 40.800 -0.053 0.000 0.919 921 D HN 0.115 nan 8.370 nan 0.000 0.526 922 D N 0.339 120.677 120.400 -0.102 0.000 2.311 922 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 922 D C 1.988 178.074 176.300 -0.356 0.000 0.972 922 D CA 0.755 54.754 54.000 -0.003 0.000 0.887 922 D CB -0.137 40.855 40.800 0.321 0.000 0.915 922 D HN 0.178 nan 8.370 nan 0.000 0.497 923 S N -0.819 114.265 115.700 -1.026 0.000 2.562 923 S HA 0.186 4.656 4.470 -0.000 0.000 0.221 923 S C 1.193 175.508 174.600 -0.475 0.000 0.975 923 S CA 0.053 57.319 58.200 -1.556 0.000 0.918 923 S CB 0.307 62.582 63.200 -1.543 0.000 0.772 923 S HN 0.160 nan 8.310 nan 0.000 0.531 924 A N 1.111 123.796 122.820 -0.224 0.000 3.047 924 A HA 0.844 5.164 4.320 -0.000 0.000 0.337 924 A C 0.309 177.888 177.584 -0.010 0.000 1.143 924 A CA -0.357 51.635 52.037 -0.075 0.000 0.905 924 A CB -0.250 18.678 19.000 -0.119 0.000 1.088 924 A HN 0.642 nan 8.150 nan 0.000 0.488 925 A N 0.461 123.322 122.820 0.068 0.000 2.284 925 A HA 0.860 5.180 4.320 -0.000 0.000 0.317 925 A C -0.540 177.040 177.584 -0.006 0.000 1.120 925 A CA -0.530 51.538 52.037 0.052 0.000 0.900 925 A CB 1.089 20.186 19.000 0.163 0.000 1.319 925 A HN 0.779 nan 8.150 nan 0.000 0.494 926 V N 0.937 120.847 119.914 -0.006 0.000 2.540 926 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 926 V C -0.153 175.769 176.094 -0.287 0.000 1.035 926 V CA -0.359 61.900 62.300 -0.067 0.000 0.873 926 V CB 1.503 33.352 31.823 0.045 0.000 0.992 926 V HN 0.768 nan 8.190 nan 0.000 0.428 927 I N 4.372 124.638 120.570 -0.508 0.000 2.471 927 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 927 I C -0.431 175.288 176.117 -0.662 0.000 1.079 927 I CA 0.407 61.096 61.300 -1.018 0.000 1.398 927 I CB 0.254 37.562 38.000 -1.153 0.000 1.403 927 I HN 0.675 nan 8.210 nan 0.000 0.530 928 C N 6.347 125.271 119.300 -0.627 0.000 2.707 928 C HA 0.685 5.145 4.460 -0.000 0.000 0.313 928 C C -0.384 174.407 174.990 -0.332 0.000 1.209 928 C CA -0.640 58.155 59.018 -0.371 0.000 1.635 928 C CB 1.669 29.280 27.740 -0.214 0.000 2.206 928 C HN 0.534 nan 8.230 nan 0.000 0.485 929 V N 2.918 122.742 119.914 -0.150 0.000 2.540 929 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 929 V C -0.817 175.263 176.094 -0.024 0.000 1.035 929 V CA -0.459 61.818 62.300 -0.039 0.000 0.873 929 V CB 1.587 33.490 31.823 0.132 0.000 0.992 929 V HN 0.870 nan 8.190 nan 0.000 0.428 930 N N 2.854 121.564 118.700 0.017 0.000 2.500 930 N HA 0.386 5.126 4.740 -0.000 0.000 0.291 930 N C 0.510 176.079 175.510 0.098 0.000 1.092 930 N CA -0.011 53.059 53.050 0.034 0.000 0.890 930 N CB 2.088 40.606 38.487 0.052 0.000 1.466 930 N HN 1.202 nan 8.380 nan 0.000 0.507 931 G N 1.600 110.457 108.800 0.095 0.000 2.306 931 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.274 931 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.274 931 G C 0.774 175.765 174.900 0.152 0.000 0.890 931 G CA 1.821 47.002 45.100 0.134 0.000 1.298 931 G HN 1.184 nan 8.290 nan 0.000 0.445 932 S N -1.158 114.629 115.700 0.144 0.000 2.156 932 S HA -0.363 4.107 4.470 -0.000 0.000 0.234 932 S C 0.744 175.446 174.600 0.171 0.000 1.141 932 S CA 2.257 60.550 58.200 0.155 0.000 1.592 932 S CB -1.485 61.813 63.200 0.164 0.000 2.054 932 S HN 2.426 nan 8.310 nan 0.000 0.586 933 H N 1.798 120.910 119.070 0.069 0.000 2.668 933 H HA 0.592 5.148 4.556 -0.000 0.000 0.303 933 H C -0.086 175.253 175.328 0.017 0.000 1.074 933 H CA 0.547 56.626 56.048 0.052 0.000 1.406 933 H CB 1.384 31.175 29.762 0.048 0.000 1.442 933 H HN 0.473 nan 8.280 nan 0.000 0.482 934 V N 5.544 125.184 119.914 -0.456 0.000 2.427 934 V HA 0.725 4.845 4.120 -0.000 0.000 0.286 934 V C -0.690 175.029 176.094 -0.624 0.000 1.034 934 V CA 0.486 62.508 62.300 -0.463 0.000 0.893 934 V CB 0.871 32.507 31.823 -0.312 0.000 0.982 934 V HN 1.027 nan 8.190 nan 0.000 0.452 935 S N 5.588 120.973 115.700 -0.525 0.000 2.656 935 S HA 0.731 5.201 4.470 -0.000 0.000 0.273 935 S C -1.208 173.135 174.600 -0.429 0.000 1.168 935 S CA -0.736 57.272 58.200 -0.320 0.000 0.817 935 S CB 1.513 64.635 63.200 -0.130 0.000 1.146 935 S HN 0.656 nan 8.310 nan 0.000 0.475 936 F N 1.116 121.022 119.950 -0.072 0.000 2.443 936 F HA 0.598 5.125 4.527 -0.000 0.000 0.335 936 F C 0.490 176.291 175.800 0.002 0.000 1.104 936 F CA -0.434 57.506 58.000 -0.100 0.000 1.013 936 F CB 1.971 40.913 39.000 -0.097 0.000 1.136 936 F HN 0.446 nan 8.300 nan 0.000 0.470 937 K N 4.243 124.701 120.400 0.098 0.000 2.376 937 K HA 0.394 4.714 4.320 -0.000 0.000 0.257 937 K C -2.762 173.913 176.600 0.125 0.000 0.939 937 K CA -2.062 54.296 56.287 0.118 0.000 0.809 937 K CB 1.845 34.390 32.500 0.075 0.000 1.121 937 K HN 0.178 nan 8.250 nan 0.000 0.425 938 P HA -0.052 nan 4.420 nan 0.000 0.263 938 P C 0.607 177.940 177.300 0.055 0.000 1.195 938 P CA -0.024 63.131 63.100 0.091 0.000 0.762 938 P CB 0.347 32.104 31.700 0.094 0.000 0.799 939 I N 4.761 125.327 120.570 -0.006 0.000 2.399 939 I HA -0.290 3.880 4.170 -0.000 0.000 0.254 939 I C 1.732 177.816 176.117 -0.054 0.000 1.146 939 I CA 1.800 63.053 61.300 -0.079 0.000 1.412 939 I CB -0.592 37.281 38.000 -0.212 0.000 1.076 939 I HN 0.373 nan 8.210 nan 0.000 0.432 940 A N 0.102 122.910 122.820 -0.020 0.000 1.874 940 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 940 A C 2.092 179.740 177.584 0.107 0.000 1.189 940 A CA 1.392 53.446 52.037 0.027 0.000 0.615 940 A CB -0.773 18.227 19.000 -0.000 0.000 0.830 940 A HN 0.505 nan 8.150 nan 0.000 0.443 941 N N -0.127 118.630 118.700 0.095 0.000 2.258 941 N HA -0.152 4.588 4.740 -0.000 0.000 0.187 941 N C 1.441 177.035 175.510 0.140 0.000 1.012 941 N CA 1.230 54.347 53.050 0.112 0.000 0.870 941 N CB -0.293 38.256 38.487 0.103 0.000 0.977 941 N HN 0.329 nan 8.380 nan 0.000 0.434 942 L N -0.025 121.296 121.223 0.164 0.000 2.131 942 L HA 0.029 4.369 4.340 -0.000 0.000 0.206 942 L C 1.304 178.352 176.870 0.297 0.000 1.087 942 L CA 0.726 55.705 54.840 0.231 0.000 0.767 942 L CB -0.516 41.722 42.059 0.297 0.000 0.917 942 L HN 0.328 nan 8.230 nan 0.000 0.441 943 W N 2.308 123.631 121.300 0.038 0.000 2.264 943 W HA 0.072 4.732 4.660 0.000 0.000 0.445 943 W C -0.127 176.415 176.519 0.038 0.000 0.720 943 W CA 0.672 58.028 57.345 0.019 0.000 2.352 943 W CB -0.240 29.131 29.460 -0.148 0.000 0.851 943 W HN 0.551 nan 8.180 nan 0.000 0.582 944 E N -0.900 119.313 120.200 0.021 0.000 3.601 944 E HA 0.107 4.457 4.350 -0.000 0.000 0.142 944 E C -0.615 176.015 176.600 0.051 0.000 0.966 944 E CA -0.188 56.218 56.400 0.010 0.000 1.527 944 E CB -0.851 28.913 29.700 0.106 0.000 1.089 944 E HN 0.215 nan 8.360 nan 0.000 0.383 945 N N 0.366 119.003 118.700 -0.104 0.000 2.039 945 N HA 0.006 4.746 4.740 -0.000 0.000 0.228 945 N C -0.804 174.402 175.510 -0.508 0.000 1.369 945 N CA -0.052 52.956 53.050 -0.069 0.000 0.806 945 N CB 0.833 39.355 38.487 0.059 0.000 1.190 945 N HN 0.214 nan 8.380 nan 0.000 0.506 946 E N 0.236 119.997 120.200 -0.732 0.000 2.243 946 E HA 0.253 4.603 4.350 -0.000 0.000 0.260 946 E C -0.162 175.676 176.600 -1.270 0.000 0.985 946 E CA -0.531 55.416 56.400 -0.755 0.000 0.858 946 E CB 0.841 30.285 29.700 -0.426 0.000 1.210 946 E HN -0.202 nan 8.360 nan 0.000 0.411 947 T N 1.124 115.243 114.554 -0.725 0.000 3.255 947 T HA 0.177 4.527 4.350 -0.000 0.000 0.243 947 T C -0.143 174.376 174.700 -0.301 0.000 1.057 947 T CA -0.517 61.344 62.100 -0.399 0.000 1.121 947 T CB -1.251 67.535 68.868 -0.135 0.000 1.104 947 T HN 0.568 nan 8.240 nan 0.000 0.571 948 N N 2.044 120.502 118.700 -0.403 0.000 1.529 948 N HA -0.164 4.576 4.740 -0.000 0.000 0.348 948 N C 1.396 176.856 175.510 -0.084 0.000 1.255 948 N CA 1.076 53.922 53.050 -0.340 0.000 0.817 948 N CB -0.369 37.928 38.487 -0.316 0.000 1.063 948 N HN 0.372 nan 8.380 nan 0.000 0.513 949 V N 2.465 122.406 119.914 0.045 0.000 0.634 949 V HA -0.450 3.670 4.120 -0.000 0.000 0.092 949 V C 0.765 176.801 176.094 -0.096 0.000 1.477 949 V CA 2.759 65.078 62.300 0.032 0.000 3.275 949 V CB -1.497 30.419 31.823 0.156 0.000 0.536 949 V HN 1.057 nan 8.190 nan 0.000 0.542 950 E N 2.800 122.963 120.200 -0.061 0.000 2.786 950 E HA 0.087 4.437 4.350 -0.000 0.000 0.229 950 E C 0.571 177.064 176.600 -0.178 0.000 1.181 950 E CA 1.161 57.503 56.400 -0.096 0.000 0.945 950 E CB -0.064 29.600 29.700 -0.060 0.000 1.004 950 E HN 1.082 nan 8.360 nan 0.000 0.515 951 L N 1.921 123.008 121.223 -0.227 0.000 2.614 951 L HA -0.235 4.105 4.340 -0.000 0.000 0.457 951 L C 0.507 177.241 176.870 -0.226 0.000 0.720 951 L CA 1.418 56.109 54.840 -0.249 0.000 2.903 951 L CB -1.525 40.373 42.059 -0.267 0.000 0.873 951 L HN 0.761 nan 8.230 nan 0.000 0.686 952 R N 0.276 120.457 120.500 -0.532 0.000 3.251 952 R HA -0.187 4.153 4.340 -0.000 0.000 0.249 952 R C 0.116 175.728 176.300 -1.146 0.000 0.949 952 R CA 1.484 56.765 56.100 -1.364 0.000 0.645 952 R CB -1.620 28.105 30.300 -0.957 0.000 1.065 952 R HN 0.696 nan 8.270 nan 0.000 0.452 953 K N -1.630 118.379 120.400 -0.651 0.000 2.555 953 K HA 0.599 4.919 4.320 -0.000 0.000 0.279 953 K C 0.030 176.515 176.600 -0.192 0.000 0.986 953 K CA -0.601 55.521 56.287 -0.274 0.000 0.880 953 K CB 1.327 33.768 32.500 -0.098 0.000 1.474 953 K HN 0.044 nan 8.250 nan 0.000 0.433 954 G N 0.114 108.850 108.800 -0.107 0.000 2.606 954 G HA2 0.251 4.211 3.960 -0.000 0.000 0.252 954 G HA3 0.251 4.211 3.960 -0.000 0.000 0.252 954 G C -0.240 174.665 174.900 0.009 0.000 1.206 954 G CA -0.653 44.379 45.100 -0.112 0.000 0.861 954 G HN 0.443 nan 8.290 nan 0.000 0.561 955 F N -0.399 119.554 119.950 0.004 0.000 2.219 955 F HA 0.156 4.683 4.527 0.000 0.000 0.294 955 F C 1.893 177.694 175.800 0.000 0.000 1.086 955 F CA 0.200 58.195 58.000 -0.008 0.000 1.330 955 F CB -0.537 38.454 39.000 -0.014 0.000 1.047 955 F HN 0.390 nan 8.300 nan 0.000 0.495 956 E N 0.405 120.748 120.200 0.238 0.000 2.459 956 E HA 0.072 4.421 4.350 -0.000 0.000 0.264 956 E C -0.699 175.959 176.600 0.097 0.000 1.055 956 E CA 0.321 56.814 56.400 0.156 0.000 0.957 956 E CB 0.837 30.652 29.700 0.193 0.000 0.952 956 E HN -0.172 nan 8.360 nan 0.000 0.448 957 V N 3.680 123.554 119.914 -0.068 0.000 2.564 957 V HA 0.037 4.157 4.120 -0.000 0.000 0.259 957 V C -0.000 175.804 176.094 -0.482 0.000 0.936 957 V CA -0.498 61.522 62.300 -0.468 0.000 0.867 957 V CB 0.264 31.686 31.823 -0.668 0.000 1.076 957 V HN 0.709 nan 8.190 nan 0.000 0.476 958 H N 0.223 119.253 119.070 -0.066 0.000 2.521 958 H HA -0.071 4.485 4.556 -0.000 0.000 0.286 958 H C 1.398 176.724 175.328 -0.003 0.000 1.034 958 H CA 1.370 57.431 56.048 0.023 0.000 1.278 958 H CB 0.107 29.964 29.762 0.158 0.000 1.386 958 H HN 0.737 nan 8.280 nan 0.000 0.567 959 W N 0.493 121.596 121.300 -0.328 0.000 3.447 959 W HA 0.614 5.274 4.660 -0.000 0.000 0.348 959 W C 0.894 177.218 176.519 -0.325 0.000 1.220 959 W CA -0.252 56.878 57.345 -0.357 0.000 1.809 959 W CB -0.769 28.631 29.460 -0.100 0.000 1.040 959 W HN 0.326 nan 8.180 nan 0.000 0.735 960 A N 1.298 123.914 122.820 -0.339 0.000 1.930 960 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 960 A C 2.016 179.533 177.584 -0.111 0.000 1.176 960 A CA 1.757 53.650 52.037 -0.240 0.000 0.632 960 A CB -0.552 18.288 19.000 -0.268 0.000 0.819 960 A HN 0.218 nan 8.150 nan 0.000 0.445 961 E N -0.129 119.991 120.200 -0.134 0.000 2.171 961 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 961 E C 1.542 178.240 176.600 0.165 0.000 0.997 961 E CA 1.821 58.224 56.400 0.005 0.000 0.810 961 E CB -0.661 29.067 29.700 0.045 0.000 0.738 961 E HN 0.791 nan 8.360 nan 0.000 0.467 962 Y N 0.043 120.405 120.300 0.103 0.000 2.256 962 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 962 Y C 2.230 178.140 175.900 0.016 0.000 1.155 962 Y CA 0.757 58.897 58.100 0.068 0.000 1.203 962 Y CB -0.166 38.376 38.460 0.137 0.000 0.980 962 Y HN 0.181 nan 8.280 nan 0.000 0.530 963 N N 0.317 119.124 118.700 0.179 0.000 2.250 963 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 963 N C 1.596 177.124 175.510 0.030 0.000 1.017 963 N CA 0.584 53.684 53.050 0.085 0.000 0.866 963 N CB -0.087 38.442 38.487 0.070 0.000 0.985 963 N HN 0.249 nan 8.380 nan 0.000 0.429 964 K N 1.500 121.917 120.400 0.029 0.000 1.987 964 K HA -0.036 4.284 4.320 -0.000 0.000 0.216 964 K C 1.995 178.584 176.600 -0.019 0.000 1.051 964 K CA 1.021 57.311 56.287 0.005 0.000 0.942 964 K CB -0.216 32.294 32.500 0.017 0.000 0.722 964 K HN 0.035 nan 8.250 nan 0.000 0.444 965 I N 0.481 121.048 120.570 -0.006 0.000 2.335 965 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 965 I C 2.265 178.327 176.117 -0.091 0.000 1.129 965 I CA 1.743 63.006 61.300 -0.062 0.000 1.402 965 I CB -1.694 36.266 38.000 -0.066 0.000 1.069 965 I HN 0.355 nan 8.210 nan 0.000 0.424 966 G N 0.902 109.671 108.800 -0.052 0.000 2.446 966 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 966 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 966 G C 1.307 176.161 174.900 -0.077 0.000 1.168 966 G CA 0.813 45.875 45.100 -0.063 0.000 0.771 966 G HN 0.302 nan 8.290 nan 0.000 0.551 967 D N 0.452 120.808 120.400 -0.073 0.000 2.182 967 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 967 D C 2.512 178.731 176.300 -0.134 0.000 0.986 967 D CA 0.460 54.408 54.000 -0.087 0.000 0.847 967 D CB -0.096 40.662 40.800 -0.070 0.000 0.942 967 D HN 0.398 nan 8.370 nan 0.000 0.467 968 I N 0.227 120.675 120.570 -0.203 0.000 2.133 968 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 968 I C 2.136 178.158 176.117 -0.159 0.000 1.074 968 I CA 0.730 61.804 61.300 -0.376 0.000 1.342 968 I CB -0.176 37.516 38.000 -0.514 0.000 1.053 968 I HN -0.070 nan 8.210 nan 0.000 0.404 969 L N 0.537 121.686 121.223 -0.123 0.000 2.456 969 L HA -0.114 4.226 4.340 -0.000 0.000 0.224 969 L C 2.212 179.131 176.870 0.081 0.000 1.148 969 L CA 0.973 55.774 54.840 -0.065 0.000 0.825 969 L CB -0.534 41.421 42.059 -0.172 0.000 0.937 969 L HN 0.334 nan 8.230 nan 0.000 0.450 970 S N -1.532 114.202 115.700 0.057 0.000 2.556 970 S HA 0.265 4.735 4.470 -0.000 0.000 0.216 970 S C 1.615 176.252 174.600 0.062 0.000 0.970 970 S CA 0.243 58.479 58.200 0.059 0.000 0.912 970 S CB 0.560 63.742 63.200 -0.030 0.000 0.790 970 S HN 0.467 nan 8.310 nan 0.000 0.504 971 G N 2.195 111.039 108.800 0.073 0.000 2.245 971 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.264 971 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.264 971 G C 0.969 175.781 174.900 -0.148 0.000 0.985 971 G CA 0.570 45.572 45.100 -0.164 0.000 0.625 971 G HN 0.553 nan 8.290 nan 0.000 0.536 972 R N 0.207 120.648 120.500 -0.099 0.000 2.112 972 R HA -0.026 4.314 4.340 -0.000 0.000 0.242 972 R C 2.680 178.936 176.300 -0.072 0.000 1.137 972 R CA 2.065 58.112 56.100 -0.089 0.000 0.944 972 R CB -0.433 29.820 30.300 -0.078 0.000 0.857 972 R HN 0.525 nan 8.270 nan 0.000 0.435 973 L N 0.550 121.734 121.223 -0.066 0.000 2.043 973 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 973 L C 2.657 179.535 176.870 0.014 0.000 1.075 973 L CA 1.703 56.537 54.840 -0.011 0.000 0.752 973 L CB -0.549 41.509 42.059 -0.002 0.000 0.891 973 L HN 0.312 nan 8.230 nan 0.000 0.432 974 K N 0.073 120.459 120.400 -0.022 0.000 1.971 974 K HA -0.225 4.095 4.320 -0.000 0.000 0.221 974 K C 2.091 178.635 176.600 -0.093 0.000 1.050 974 K CA 1.487 57.733 56.287 -0.069 0.000 0.967 974 K CB -0.138 32.223 32.500 -0.232 0.000 0.733 974 K HN 0.064 nan 8.250 nan 0.000 0.445 975 L N 1.386 122.533 121.223 -0.125 0.000 2.021 975 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 975 L C 2.474 179.307 176.870 -0.060 0.000 1.074 975 L CA 1.736 56.517 54.840 -0.099 0.000 0.760 975 L CB -1.461 40.535 42.059 -0.104 0.000 0.889 975 L HN 0.358 nan 8.230 nan 0.000 0.433 976 R N -0.157 120.313 120.500 -0.049 0.000 2.256 976 R HA -0.208 4.132 4.340 -0.000 0.000 0.216 976 R C 2.153 178.441 176.300 -0.020 0.000 1.080 976 R CA 1.673 57.756 56.100 -0.028 0.000 0.848 976 R CB -1.059 29.230 30.300 -0.018 0.000 0.794 976 R HN 0.359 nan 8.270 nan 0.000 0.438 977 A N 1.476 124.290 122.820 -0.009 0.000 2.001 977 A HA -0.279 4.041 4.320 -0.000 0.000 0.224 977 A C 1.938 179.512 177.584 -0.017 0.000 1.203 977 A CA 2.183 54.217 52.037 -0.006 0.000 0.667 977 A CB -0.804 18.197 19.000 0.002 0.000 0.823 977 A HN 0.565 nan 8.150 nan 0.000 0.473 978 E N -0.772 119.411 120.200 -0.029 0.000 2.444 978 E HA -0.076 4.274 4.350 -0.000 0.000 0.204 978 E C -0.338 176.248 176.600 -0.023 0.000 1.049 978 E CA 0.328 56.708 56.400 -0.033 0.000 0.872 978 E CB -0.272 29.400 29.700 -0.047 0.000 0.791 978 E HN 0.427 nan 8.360 nan 0.000 0.548 979 V N 0.654 120.557 119.914 -0.019 0.000 2.432 979 V HA 0.527 4.647 4.120 -0.000 0.000 0.275 979 V C 0.159 176.248 176.094 -0.010 0.000 1.043 979 V CA 0.043 62.335 62.300 -0.013 0.000 0.925 979 V CB 1.146 32.962 31.823 -0.012 0.000 0.985 979 V HN 0.192 nan 8.190 nan 0.000 0.466 980 A N 0.000 122.815 122.820 -0.008 0.000 2.254 980 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 980 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 980 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 980 A HN 0.000 nan 8.150 nan 0.000 0.486