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 3f2b_1_A DATA FIRST_RESID 233 DATA SEQUENCE VRRLETIVEE ERRVVVQGYV FDAEVSELKS GRTLLTMKIT DYTNSILVKM DATA SEQUENCE FSRDKEDAEL MSGVKKGMWV KVRGSVQNDT FVRDLVIIAN DLNEIAANER DATA SEQUENCE QDTAPEGEKR VELHLHTPMS QMDAVTSVTK LIEQAKKWGH PAIAVTDHAV DATA SEQUENCE VQSFPEAYSA AKKHGMKVIY GLEANIVDDX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXPFHVT LLAQNETGLK DATA SEQUENCE NLFKLVSLSH IQYFHRVPRI PRSVLVKHRD GLLVGSGCDK GELFDNXXXX DATA SEQUENCE XXXXVEDIAR FYDFLEVHPP DVYKPLXXXX YVKDEEMIKN IIRSIVALGE DATA SEQUENCE KLDIPVVATG NVHYLNPEDK IYRKILIHSQ GGANPLNRHE LPDVYFRTTN DATA SEQUENCE EMLDCFSFLG PEKAKEIVVD NTQKIASLIG DVKPIKDELY TPRIEGADEE DATA SEQUENCE IREMSYRRAK EIYGDPLPKL VEERLEKELK SIIGHGFAVI YLISHKLVKK DATA SEQUENCE SLDDGYLVGS RGSVGSSFVA TMTEITEVNP LPPHYVCPNC KHSEFFNDGS DATA SEQUENCE VGSGFDLPDK NCPRCGTKYK KDGHDIPFET FLGFKGDKVP DIDLNFSGEY DATA SEQUENCE QPRAHNYTKV LFGEDNVYRA GTIGTVADKT AYGFVKAYAS DHNLELRGAE DATA SEQUENCE IDRLAAGCTG VKRTTGQHPG GIIVVPDYME IYDFTPIQYP ADDTSSEWRT DATA SEQUENCE THFDFHSIHD NLLKLDILGH DDPTVIRMLQ DLSGIDPKTI PTDDPDVMGI DATA SEQUENCE FSSTEPLGVT PEQIMCNVGT IGIPEFGTRF VRQMLEETRP KTFSELVQIS DATA SEQUENCE GLSHGTDVWL GNAQELIQNG TCTLSEVIGC RDDIMVYLIY RGLEPSLAFK DATA SEQUENCE IMESVRKGKG LTPEFEAEMR KHDVPEWYID SCKKIKYMFP KAHAAAYVLM DATA SEQUENCE AVRIAYFKVH HPLLYYASYF TVRAEDFDLD AMIKGSAAIR KRIEEINAKG DATA SEQUENCE IQATAKEKSL LTVLEVALEM CERGFSFKNI DLYRSQATEF VIDGNSLIPP DATA SEQUENCE FNAIPGLGTN VAQAIVRARE EGEFLSKEDL QQRGKLSKTL LEYLESRGCL DATA SEQUENCE DSLPDHNQLS LF 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 233 V HA 0.000 nan 4.120 nan 0.000 0.244 233 V C 0.000 176.116 176.094 0.037 0.000 1.182 233 V CA 0.000 62.322 62.300 0.036 0.000 1.235 233 V CB 0.000 31.848 31.823 0.042 0.000 1.184 234 R N 5.230 125.751 120.500 0.036 0.000 2.349 234 R HA 0.569 4.911 4.340 0.002 0.000 0.299 234 R C 0.037 176.360 176.300 0.039 0.000 1.027 234 R CA -0.601 55.519 56.100 0.033 0.000 0.958 234 R CB 1.577 31.893 30.300 0.027 0.000 1.047 234 R HN 0.705 nan 8.270 nan 0.000 0.468 235 R N 2.021 122.544 120.500 0.038 0.000 2.491 235 R HA 0.032 4.373 4.340 0.002 0.000 0.283 235 R C 1.236 177.554 176.300 0.031 0.000 1.072 235 R CA -0.567 55.559 56.100 0.042 0.000 1.048 235 R CB 0.507 30.831 30.300 0.040 0.000 0.983 235 R HN 0.265 nan 8.270 nan 0.000 0.450 236 L N 3.202 124.443 121.223 0.029 0.000 2.187 236 L HA -0.192 4.149 4.340 0.002 0.000 0.213 236 L C 1.865 178.744 176.870 0.015 0.000 1.100 236 L CA 1.752 56.603 54.840 0.019 0.000 0.765 236 L CB -0.743 41.322 42.059 0.010 0.000 0.904 236 L HN 0.690 nan 8.230 nan 0.000 0.437 237 E N -1.918 118.291 120.200 0.015 0.000 2.338 237 E HA -0.154 4.198 4.350 0.002 0.000 0.197 237 E C 1.575 178.182 176.600 0.011 0.000 1.007 237 E CA 1.205 57.611 56.400 0.010 0.000 0.849 237 E CB -0.566 29.138 29.700 0.006 0.000 0.774 237 E HN 0.542 nan 8.360 nan 0.000 0.506 238 T N -0.911 113.652 114.554 0.015 0.000 3.107 238 T HA 0.162 4.513 4.350 0.002 0.000 0.249 238 T C 0.711 175.419 174.700 0.014 0.000 1.096 238 T CA -0.349 61.760 62.100 0.014 0.000 1.012 238 T CB -0.103 68.775 68.868 0.016 0.000 0.977 238 T HN 0.017 nan 8.240 nan 0.000 0.527 239 I N 3.690 124.269 120.570 0.014 0.000 2.281 239 I HA 0.222 4.394 4.170 0.002 0.000 0.293 239 I C 1.199 177.324 176.117 0.013 0.000 1.085 239 I CA -0.339 60.970 61.300 0.015 0.000 1.257 239 I CB 0.774 38.783 38.000 0.015 0.000 1.430 239 I HN 0.203 nan 8.210 nan 0.000 0.489 240 V N 2.739 122.660 119.914 0.012 0.000 3.548 240 V HA 0.340 4.461 4.120 0.002 0.000 0.279 240 V C 0.169 176.270 176.094 0.011 0.000 1.446 240 V CA 0.147 62.453 62.300 0.011 0.000 1.023 240 V CB -0.011 31.818 31.823 0.010 0.000 0.820 240 V HN 0.666 nan 8.190 nan 0.000 0.438 241 E N -0.757 119.450 120.200 0.012 0.000 2.454 241 E HA 0.521 4.872 4.350 0.002 0.000 0.279 241 E C -1.086 175.522 176.600 0.014 0.000 1.029 241 E CA -0.982 55.425 56.400 0.012 0.000 0.831 241 E CB 0.573 30.280 29.700 0.011 0.000 1.405 241 E HN 0.217 nan 8.360 nan 0.000 0.463 242 E N 0.561 120.769 120.200 0.014 0.000 2.508 242 E HA 0.020 4.371 4.350 0.002 0.000 0.266 242 E C -0.504 176.104 176.600 0.014 0.000 1.010 242 E CA 0.878 57.287 56.400 0.015 0.000 0.955 242 E CB 0.455 30.163 29.700 0.014 0.000 0.946 242 E HN 0.407 nan 8.360 nan 0.000 0.454 243 E N 1.461 121.670 120.200 0.015 0.000 2.597 243 E HA 0.041 4.393 4.350 0.002 0.000 0.310 243 E C 0.080 176.689 176.600 0.015 0.000 0.970 243 E CA -0.392 56.016 56.400 0.014 0.000 0.819 243 E CB 0.958 30.667 29.700 0.014 0.000 1.267 243 E HN 0.448 nan 8.360 nan 0.000 0.411 244 R N 2.119 122.626 120.500 0.013 0.000 2.134 244 R HA -0.107 4.234 4.340 0.002 0.000 0.248 244 R C 0.617 176.926 176.300 0.015 0.000 1.143 244 R CA 1.810 57.918 56.100 0.012 0.000 0.957 244 R CB 0.269 30.576 30.300 0.010 0.000 0.867 244 R HN 0.375 nan 8.270 nan 0.000 0.441 245 R N -0.370 120.139 120.500 0.015 0.000 2.522 245 R HA 0.225 4.566 4.340 0.002 0.000 0.273 245 R C -1.931 174.379 176.300 0.017 0.000 1.133 245 R CA -0.349 55.761 56.100 0.016 0.000 0.969 245 R CB 1.726 32.034 30.300 0.015 0.000 1.235 245 R HN 0.063 nan 8.270 nan 0.000 0.433 246 V N 0.878 120.804 119.914 0.019 0.000 2.925 246 V HA 0.733 4.854 4.120 0.002 0.000 0.311 246 V C -0.992 175.115 176.094 0.021 0.000 1.104 246 V CA -0.922 61.390 62.300 0.020 0.000 0.954 246 V CB 1.963 33.798 31.823 0.020 0.000 1.022 246 V HN 0.416 nan 8.190 nan 0.000 0.427 247 V N 4.039 123.967 119.914 0.024 0.000 2.483 247 V HA 0.944 5.065 4.120 0.002 0.000 0.295 247 V C -0.788 175.325 176.094 0.033 0.000 1.035 247 V CA -0.097 62.220 62.300 0.027 0.000 0.896 247 V CB 1.549 33.389 31.823 0.028 0.000 0.986 247 V HN 1.083 nan 8.190 nan 0.000 0.447 248 V N 5.409 125.345 119.914 0.037 0.000 3.087 248 V HA 0.570 4.692 4.120 0.002 0.000 0.306 248 V C -0.687 175.441 176.094 0.057 0.000 1.187 248 V CA -0.575 61.750 62.300 0.042 0.000 0.999 248 V CB 2.424 34.264 31.823 0.028 0.000 1.049 248 V HN 1.027 nan 8.190 nan 0.000 0.431 249 Q N 0.349 120.197 119.800 0.080 0.000 2.433 249 Q HA 0.845 5.186 4.340 0.002 0.000 0.279 249 Q C -0.394 175.674 176.000 0.112 0.000 1.105 249 Q CA -0.391 55.490 55.803 0.131 0.000 0.815 249 Q CB 2.797 31.655 28.738 0.200 0.000 1.403 249 Q HN 1.127 nan 8.270 nan 0.000 0.435 250 G N 0.275 109.143 108.800 0.113 0.000 2.325 250 G HA2 0.097 4.058 3.960 0.002 0.000 0.297 250 G HA3 0.097 4.058 3.960 0.002 0.000 0.297 250 G C -2.475 172.144 174.900 -0.468 0.000 1.448 250 G CA -0.890 44.125 45.100 -0.141 0.000 0.838 250 G HN 0.477 nan 8.290 nan 0.000 0.579 251 Y N 1.116 120.759 120.300 -1.095 0.000 2.359 251 Y HA 0.469 5.021 4.550 0.002 0.000 0.334 251 Y C 0.738 176.361 175.900 -0.462 0.000 1.058 251 Y CA -0.222 57.186 58.100 -1.154 0.000 1.244 251 Y CB 1.433 39.195 38.460 -1.163 0.000 1.187 251 Y HN 0.810 nan 8.280 nan 0.000 0.510 252 V N 8.926 128.398 119.914 -0.736 0.000 2.389 252 V HA 0.182 4.304 4.120 0.002 0.000 0.264 252 V C -0.225 175.517 176.094 -0.586 0.000 1.049 252 V CA -0.173 61.805 62.300 -0.536 0.000 0.932 252 V CB -0.645 30.941 31.823 -0.396 0.000 1.011 252 V HN 0.832 nan 8.190 nan 0.000 0.475 253 F N 3.015 122.788 119.950 -0.296 0.000 2.664 253 F HA 0.683 5.211 4.527 0.002 0.000 0.303 253 F C 0.059 175.816 175.800 -0.071 0.000 1.092 253 F CA -0.531 57.413 58.000 -0.094 0.000 1.305 253 F CB 0.070 39.158 39.000 0.147 0.000 1.054 253 F HN 0.545 nan 8.300 nan 0.000 0.565 254 D N 0.742 120.865 120.400 -0.461 0.000 2.787 254 D HA 0.619 5.261 4.640 0.002 0.000 0.215 254 D C -1.649 174.479 176.300 -0.286 0.000 1.246 254 D CA -0.260 53.560 54.000 -0.300 0.000 0.798 254 D CB 2.013 42.640 40.800 -0.288 0.000 1.649 254 D HN 0.333 nan 8.370 nan 0.000 0.507 255 A N 2.676 125.386 122.820 -0.184 0.000 2.465 255 A HA 0.678 4.999 4.320 0.002 0.000 0.292 255 A C -1.330 176.184 177.584 -0.116 0.000 1.041 255 A CA -0.753 51.187 52.037 -0.161 0.000 0.718 255 A CB 1.624 20.530 19.000 -0.156 0.000 1.266 255 A HN 0.292 nan 8.150 nan 0.000 0.403 256 E N 0.853 120.986 120.200 -0.111 0.000 2.317 256 E HA 0.611 4.963 4.350 0.002 0.000 0.270 256 E C -1.317 175.226 176.600 -0.095 0.000 0.885 256 E CA -0.664 55.684 56.400 -0.087 0.000 0.760 256 E CB 2.492 32.149 29.700 -0.072 0.000 1.227 256 E HN 0.377 nan 8.360 nan 0.000 0.434 257 V N 1.448 121.314 119.914 -0.080 0.000 2.680 257 V HA 0.621 4.743 4.120 0.002 0.000 0.309 257 V C -0.380 175.672 176.094 -0.070 0.000 1.052 257 V CA -0.360 61.891 62.300 -0.082 0.000 0.908 257 V CB 1.925 33.707 31.823 -0.069 0.000 1.001 257 V HN 0.857 nan 8.190 nan 0.000 0.431 258 S N 3.239 118.894 115.700 -0.074 0.000 2.651 258 S HA 0.672 5.144 4.470 0.002 0.000 0.279 258 S C -1.216 173.356 174.600 -0.046 0.000 1.148 258 S CA -0.994 57.171 58.200 -0.058 0.000 0.837 258 S CB 2.375 65.537 63.200 -0.062 0.000 1.138 258 S HN 0.607 nan 8.310 nan 0.000 0.478 259 E N 0.710 120.891 120.200 -0.031 0.000 2.145 259 E HA 0.436 4.787 4.350 0.002 0.000 0.270 259 E C -1.197 175.399 176.600 -0.007 0.000 0.906 259 E CA -0.748 55.642 56.400 -0.016 0.000 0.761 259 E CB 1.337 31.029 29.700 -0.015 0.000 1.116 259 E HN 0.344 nan 8.360 nan 0.000 0.408 260 L N 3.188 124.418 121.223 0.013 0.000 2.418 260 L HA 0.106 4.447 4.340 0.002 0.000 0.265 260 L C 1.724 178.601 176.870 0.011 0.000 1.143 260 L CA 0.201 55.054 54.840 0.023 0.000 0.809 260 L CB 0.403 42.501 42.059 0.065 0.000 1.124 260 L HN 0.464 nan 8.230 nan 0.000 0.456 261 K N 1.058 121.460 120.400 0.004 0.000 2.089 261 K HA -0.210 4.111 4.320 0.002 0.000 0.210 261 K C 1.767 178.367 176.600 0.000 0.000 1.048 261 K CA 2.064 58.349 56.287 -0.002 0.000 0.926 261 K CB -0.072 32.423 32.500 -0.007 0.000 0.714 261 K HN 0.836 nan 8.250 nan 0.000 0.448 262 S N -1.522 114.181 115.700 0.005 0.000 2.469 262 S HA -0.032 4.439 4.470 0.002 0.000 0.238 262 S C 1.553 176.157 174.600 0.006 0.000 0.998 262 S CA 1.472 59.674 58.200 0.003 0.000 0.957 262 S CB -0.093 63.109 63.200 0.003 0.000 0.764 262 S HN 0.558 nan 8.310 nan 0.000 0.514 263 G N 0.982 109.788 108.800 0.010 0.000 2.424 263 G HA2 -0.245 3.716 3.960 0.002 0.000 0.207 263 G HA3 -0.245 3.716 3.960 0.002 0.000 0.207 263 G C 0.248 175.158 174.900 0.017 0.000 1.061 263 G CA -0.203 44.903 45.100 0.009 0.000 0.657 263 G HN 0.622 nan 8.290 nan 0.000 0.508 264 R N 1.720 122.238 120.500 0.030 0.000 2.644 264 R HA 0.390 4.731 4.340 0.002 0.000 0.265 264 R C 0.052 176.379 176.300 0.046 0.000 0.985 264 R CA 1.515 57.646 56.100 0.051 0.000 1.097 264 R CB 0.140 30.493 30.300 0.089 0.000 0.931 264 R HN 0.273 nan 8.270 nan 0.000 0.419 265 T N 4.195 118.769 114.554 0.034 0.000 2.859 265 T HA 0.431 4.782 4.350 0.002 0.000 0.281 265 T C -1.051 173.628 174.700 -0.035 0.000 1.005 265 T CA -0.615 61.483 62.100 -0.003 0.000 1.025 265 T CB 1.086 69.942 68.868 -0.020 0.000 0.977 265 T HN 0.344 nan 8.240 nan 0.000 0.458 266 L N 4.262 125.423 121.223 -0.103 0.000 2.322 266 L HA 0.794 5.136 4.340 0.002 0.000 0.281 266 L C -1.274 175.455 176.870 -0.235 0.000 1.014 266 L CA -0.881 53.794 54.840 -0.276 0.000 0.815 266 L CB 1.251 43.108 42.059 -0.336 0.000 1.247 266 L HN 0.546 nan 8.230 nan 0.000 0.421 267 L N 4.407 125.467 121.223 -0.272 0.000 2.296 267 L HA 0.709 5.050 4.340 0.002 0.000 0.286 267 L C -0.685 176.049 176.870 -0.226 0.000 1.023 267 L CA 0.362 55.082 54.840 -0.200 0.000 0.812 267 L CB 1.761 43.726 42.059 -0.155 0.000 1.223 267 L HN 0.765 nan 8.230 nan 0.000 0.421 268 T N 6.604 121.050 114.554 -0.179 0.000 2.864 268 T HA 0.580 4.931 4.350 0.002 0.000 0.310 268 T C -0.225 174.378 174.700 -0.162 0.000 1.040 268 T CA -0.318 61.684 62.100 -0.164 0.000 0.977 268 T CB 0.626 69.415 68.868 -0.131 0.000 0.976 268 T HN 0.557 nan 8.240 nan 0.000 0.459 269 M N 2.458 121.952 119.600 -0.177 0.000 2.664 269 M HA 0.532 5.014 4.480 0.002 0.000 0.314 269 M C -0.342 175.792 176.300 -0.276 0.000 1.200 269 M CA -0.986 54.176 55.300 -0.230 0.000 0.916 269 M CB 2.509 34.978 32.600 -0.217 0.000 1.717 269 M HN 0.230 nan 8.290 nan 0.000 0.470 270 K N 2.754 122.881 120.400 -0.456 0.000 2.221 270 K HA 0.761 5.083 4.320 0.002 0.000 0.258 270 K C -1.066 175.125 176.600 -0.683 0.000 0.944 270 K CA -0.574 55.346 56.287 -0.612 0.000 0.823 270 K CB 2.092 34.002 32.500 -0.984 0.000 1.113 270 K HN 0.653 nan 8.250 nan 0.000 0.431 271 I N -1.686 118.700 120.570 -0.306 0.000 2.828 271 I HA 0.604 4.775 4.170 0.002 0.000 0.302 271 I C -0.883 175.273 176.117 0.065 0.000 1.101 271 I CA -0.610 60.609 61.300 -0.135 0.000 1.031 271 I CB 2.535 40.446 38.000 -0.148 0.000 1.231 271 I HN 0.418 nan 8.210 nan 0.000 0.427 272 T N 1.720 116.268 114.554 -0.010 0.000 2.921 272 T HA 0.324 4.675 4.350 0.002 0.000 0.297 272 T C -0.291 174.167 174.700 -0.403 0.000 1.013 272 T CA -0.418 61.570 62.100 -0.188 0.000 0.990 272 T CB 1.334 69.979 68.868 -0.372 0.000 1.023 272 T HN 0.870 nan 8.240 nan 0.000 0.447 273 D N 2.871 123.146 120.400 -0.209 0.000 2.349 273 D HA 0.077 4.719 4.640 0.002 0.000 0.214 273 D C 0.311 176.648 176.300 0.062 0.000 1.063 273 D CA -0.094 53.874 54.000 -0.053 0.000 0.847 273 D CB -0.336 40.516 40.800 0.086 0.000 0.933 273 D HN 0.654 nan 8.370 nan 0.000 0.513 274 Y N -0.911 119.406 120.300 0.028 0.000 4.936 274 Y HA -0.317 4.234 4.550 0.002 0.000 0.266 274 Y C 1.864 177.741 175.900 -0.039 0.000 0.909 274 Y CA 0.995 59.088 58.100 -0.012 0.000 1.828 274 Y CB -2.478 35.994 38.460 0.020 0.000 1.283 274 Y HN 0.361 nan 8.280 nan 0.000 0.511 275 T N -3.480 111.123 114.554 0.081 0.000 3.040 275 T HA 0.289 4.641 4.350 0.002 0.000 0.252 275 T C 0.713 175.413 174.700 0.000 0.000 1.064 275 T CA 1.103 63.221 62.100 0.031 0.000 1.110 275 T CB 0.692 69.580 68.868 0.034 0.000 0.921 275 T HN 0.391 nan 8.240 nan 0.000 0.480 276 N N -1.009 117.687 118.700 -0.007 0.000 3.496 276 N HA 0.393 5.134 4.740 0.002 0.000 0.331 276 N C -1.903 173.593 175.510 -0.023 0.000 1.532 276 N CA -0.351 52.690 53.050 -0.015 0.000 0.863 276 N CB 1.556 40.042 38.487 -0.000 0.000 1.927 276 N HN 0.223 nan 8.380 nan 0.000 0.529 277 S N 0.062 115.769 115.700 0.011 0.000 2.596 277 S HA 0.734 5.206 4.470 0.002 0.000 0.270 277 S C -1.237 173.398 174.600 0.058 0.000 1.155 277 S CA -0.534 57.700 58.200 0.056 0.000 0.827 277 S CB 2.088 65.373 63.200 0.142 0.000 1.130 277 S HN 0.507 nan 8.310 nan 0.000 0.467 278 I N 1.157 121.758 120.570 0.052 0.000 2.984 278 I HA 0.420 4.592 4.170 0.002 0.000 0.303 278 I C -2.016 174.089 176.117 -0.021 0.000 1.381 278 I CA -0.909 60.403 61.300 0.021 0.000 0.988 278 I CB 1.691 39.696 38.000 0.008 0.000 1.307 278 I HN 0.600 nan 8.210 nan 0.000 0.460 279 L N 6.352 127.562 121.223 -0.022 0.000 2.326 279 L HA 0.563 4.904 4.340 0.002 0.000 0.278 279 L C -1.077 175.762 176.870 -0.052 0.000 1.092 279 L CA 0.132 54.940 54.840 -0.054 0.000 0.810 279 L CB 1.338 43.383 42.059 -0.023 0.000 1.153 279 L HN 0.279 nan 8.230 nan 0.000 0.439 280 V N 5.136 125.000 119.914 -0.084 0.000 2.540 280 V HA 0.516 4.637 4.120 0.002 0.000 0.302 280 V C -0.322 175.713 176.094 -0.099 0.000 1.035 280 V CA -0.892 61.364 62.300 -0.074 0.000 0.873 280 V CB 1.750 33.522 31.823 -0.085 0.000 0.992 280 V HN 0.698 nan 8.190 nan 0.000 0.428 281 K N 4.406 124.754 120.400 -0.086 0.000 2.259 281 K HA 0.786 5.108 4.320 0.002 0.000 0.252 281 K C -0.930 175.560 176.600 -0.184 0.000 0.936 281 K CA -0.577 55.600 56.287 -0.182 0.000 0.810 281 K CB 2.480 34.875 32.500 -0.175 0.000 1.143 281 K HN 0.600 nan 8.250 nan 0.000 0.427 282 M N 3.123 122.528 119.600 -0.326 0.000 2.326 282 M HA 0.419 4.901 4.480 0.002 0.000 0.292 282 M C -1.827 174.275 176.300 -0.330 0.000 1.081 282 M CA -0.630 54.552 55.300 -0.196 0.000 0.919 282 M CB 1.282 33.821 32.600 -0.101 0.000 1.634 282 M HN 0.511 nan 8.290 nan 0.000 0.451 283 F N 2.478 122.417 119.950 -0.019 0.000 2.375 283 F HA 0.383 4.911 4.527 0.002 0.000 0.361 283 F C 0.714 176.504 175.800 -0.017 0.000 1.117 283 F CA -0.700 57.288 58.000 -0.019 0.000 1.037 283 F CB 1.611 40.600 39.000 -0.018 0.000 1.192 283 F HN 0.550 nan 8.300 nan 0.000 0.452 284 S N 2.341 118.105 115.700 0.107 0.000 2.568 284 S HA 0.150 4.622 4.470 0.002 0.000 0.282 284 S C 0.819 175.460 174.600 0.070 0.000 1.338 284 S CA -0.548 57.689 58.200 0.061 0.000 1.045 284 S CB 1.132 64.348 63.200 0.027 0.000 0.873 284 S HN 0.781 nan 8.310 nan 0.000 0.516 285 R N 0.757 121.285 120.500 0.046 0.000 2.397 285 R HA 0.270 4.612 4.340 0.002 0.000 0.241 285 R C -0.989 175.324 176.300 0.021 0.000 0.914 285 R CA 0.432 56.552 56.100 0.034 0.000 1.071 285 R CB 0.070 30.387 30.300 0.027 0.000 1.116 285 R HN 0.990 nan 8.270 nan 0.000 0.524 286 D N -2.918 117.493 120.400 0.019 0.000 2.742 286 D HA -0.036 4.606 4.640 0.002 0.000 0.262 286 D C -0.288 176.017 176.300 0.008 0.000 1.240 286 D CA -0.921 53.086 54.000 0.011 0.000 0.752 286 D CB 0.508 41.313 40.800 0.009 0.000 1.290 286 D HN -0.101 nan 8.370 nan 0.000 0.420 287 K N -0.168 120.235 120.400 0.005 0.000 2.365 287 K HA -0.056 4.265 4.320 0.002 0.000 0.199 287 K C 0.511 177.111 176.600 -0.001 0.000 1.045 287 K CA 1.125 57.413 56.287 0.002 0.000 0.962 287 K CB 0.065 32.566 32.500 0.001 0.000 0.759 287 K HN 0.346 nan 8.250 nan 0.000 0.469 288 E N 1.522 121.722 120.200 0.001 0.000 2.046 288 E HA -0.109 4.242 4.350 0.002 0.000 0.190 288 E C 1.472 178.070 176.600 -0.002 0.000 0.982 288 E CA 1.364 57.764 56.400 -0.001 0.000 0.800 288 E CB -0.066 29.634 29.700 0.001 0.000 0.756 288 E HN 0.333 nan 8.360 nan 0.000 0.449 289 D N -0.073 120.327 120.400 -0.000 0.000 2.178 289 D HA -0.050 4.591 4.640 0.002 0.000 0.202 289 D C 1.730 178.025 176.300 -0.008 0.000 0.974 289 D CA 1.180 55.179 54.000 -0.002 0.000 0.841 289 D CB -0.226 40.577 40.800 0.005 0.000 0.953 289 D HN 0.182 nan 8.370 nan 0.000 0.478 290 A N 1.328 124.145 122.820 -0.006 0.000 1.902 290 A HA -0.214 4.107 4.320 0.002 0.000 0.217 290 A C 2.009 179.582 177.584 -0.019 0.000 1.181 290 A CA 1.807 53.836 52.037 -0.013 0.000 0.623 290 A CB -0.553 18.443 19.000 -0.007 0.000 0.818 290 A HN 0.438 nan 8.150 nan 0.000 0.443 291 E N -0.068 120.123 120.200 -0.014 0.000 2.158 291 E HA -0.044 4.307 4.350 0.002 0.000 0.191 291 E C 1.857 178.446 176.600 -0.018 0.000 0.982 291 E CA 0.783 57.173 56.400 -0.016 0.000 0.823 291 E CB -0.469 29.224 29.700 -0.011 0.000 0.766 291 E HN 0.565 nan 8.360 nan 0.000 0.468 292 L N 0.424 121.637 121.223 -0.016 0.000 2.083 292 L HA -0.145 4.196 4.340 0.002 0.000 0.209 292 L C 2.767 179.621 176.870 -0.027 0.000 1.083 292 L CA 1.233 56.062 54.840 -0.018 0.000 0.752 292 L CB -0.380 41.671 42.059 -0.013 0.000 0.899 292 L HN 0.183 nan 8.230 nan 0.000 0.433 293 M N -1.057 118.524 119.600 -0.033 0.000 2.117 293 M HA -0.213 4.269 4.480 0.002 0.000 0.262 293 M C 2.416 178.686 176.300 -0.051 0.000 1.065 293 M CA 1.559 56.831 55.300 -0.048 0.000 1.114 293 M CB -0.285 32.282 32.600 -0.056 0.000 1.361 293 M HN 0.112 nan 8.290 nan 0.000 0.408 294 S N 0.033 115.708 115.700 -0.042 0.000 2.465 294 S HA -0.083 4.388 4.470 0.002 0.000 0.241 294 S C 1.715 176.292 174.600 -0.038 0.000 1.000 294 S CA 1.232 59.408 58.200 -0.040 0.000 0.964 294 S CB -0.494 62.687 63.200 -0.031 0.000 0.763 294 S HN 0.710 nan 8.310 nan 0.000 0.512 295 G N 0.322 109.101 108.800 -0.035 0.000 3.042 295 G HA2 0.208 4.169 3.960 0.002 0.000 0.212 295 G HA3 0.208 4.169 3.960 0.002 0.000 0.212 295 G C 0.225 175.102 174.900 -0.038 0.000 1.166 295 G CA -0.167 44.914 45.100 -0.031 0.000 0.767 295 G HN 0.313 nan 8.290 nan 0.000 0.546 296 V N 1.006 120.889 119.914 -0.051 0.000 2.439 296 V HA 0.358 4.479 4.120 0.002 0.000 0.271 296 V C 0.039 176.084 176.094 -0.082 0.000 1.040 296 V CA 0.070 62.329 62.300 -0.067 0.000 1.002 296 V CB 0.850 32.625 31.823 -0.081 0.000 1.000 296 V HN 0.149 nan 8.190 nan 0.000 0.477 297 K N 3.504 123.851 120.400 -0.087 0.000 2.400 297 K HA 0.527 4.848 4.320 0.002 0.000 0.246 297 K C -0.410 176.106 176.600 -0.141 0.000 0.995 297 K CA -0.914 55.317 56.287 -0.093 0.000 0.840 297 K CB 1.624 34.090 32.500 -0.058 0.000 1.293 297 K HN 0.482 nan 8.250 nan 0.000 0.445 298 K N 0.433 120.750 120.400 -0.138 0.000 2.489 298 K HA 0.133 4.455 4.320 0.002 0.000 0.278 298 K C 0.728 177.211 176.600 -0.195 0.000 1.000 298 K CA 1.175 57.347 56.287 -0.192 0.000 1.012 298 K CB 0.210 32.662 32.500 -0.079 0.000 0.903 298 K HN 0.855 nan 8.250 nan 0.000 0.485 299 G N 1.837 110.381 108.800 -0.426 0.000 2.232 299 G HA2 -0.248 3.713 3.960 0.002 0.000 0.226 299 G HA3 -0.248 3.713 3.960 0.002 0.000 0.226 299 G C 0.192 175.018 174.900 -0.123 0.000 0.996 299 G CA -0.373 44.606 45.100 -0.202 0.000 0.626 299 G HN 0.481 nan 8.290 nan 0.000 0.509 300 M N -0.165 119.316 119.600 -0.199 0.000 2.241 300 M HA 0.531 5.013 4.480 0.002 0.000 0.335 300 M C 0.005 176.277 176.300 -0.047 0.000 1.122 300 M CA -0.045 55.237 55.300 -0.029 0.000 1.164 300 M CB 0.531 33.102 32.600 -0.048 0.000 1.459 300 M HN 0.192 nan 8.290 nan 0.000 0.461 301 W N 0.898 122.193 121.300 -0.009 0.000 2.570 301 W HA 0.662 5.324 4.660 0.003 0.000 0.337 301 W C -1.006 175.516 176.519 0.005 0.000 1.067 301 W CA -0.459 56.904 57.345 0.031 0.000 1.229 301 W CB 1.260 30.779 29.460 0.097 0.000 1.355 301 W HN 0.210 nan 8.180 nan 0.000 0.555 302 V N 2.508 122.546 119.914 0.207 0.000 2.851 302 V HA 0.310 4.431 4.120 0.002 0.000 0.307 302 V C -0.804 175.355 176.094 0.107 0.000 1.129 302 V CA -1.595 60.764 62.300 0.100 0.000 0.932 302 V CB 2.145 33.969 31.823 0.002 0.000 1.024 302 V HN 0.413 nan 8.190 nan 0.000 0.426 303 K N 3.460 123.912 120.400 0.087 0.000 2.213 303 K HA 0.784 5.105 4.320 0.002 0.000 0.270 303 K C -1.502 175.122 176.600 0.039 0.000 1.002 303 K CA -0.357 55.973 56.287 0.071 0.000 0.868 303 K CB 1.710 34.251 32.500 0.069 0.000 1.093 303 K HN 0.471 nan 8.250 nan 0.000 0.454 304 V N 2.784 122.716 119.914 0.030 0.000 2.540 304 V HA 0.639 4.761 4.120 0.002 0.000 0.302 304 V C -0.179 175.927 176.094 0.019 0.000 1.035 304 V CA -0.817 61.492 62.300 0.015 0.000 0.873 304 V CB 1.548 33.370 31.823 -0.001 0.000 0.992 304 V HN 0.888 nan 8.190 nan 0.000 0.428 305 R N 1.843 122.354 120.500 0.018 0.000 2.562 305 R HA 0.966 5.307 4.340 0.002 0.000 0.298 305 R C 0.069 176.381 176.300 0.020 0.000 0.961 305 R CA -0.001 56.111 56.100 0.020 0.000 0.881 305 R CB 1.675 31.987 30.300 0.021 0.000 1.159 305 R HN 1.726 nan 8.270 nan 0.000 0.450 306 G N -0.159 108.654 108.800 0.022 0.000 2.340 306 G HA2 0.514 4.476 3.960 0.002 0.000 0.299 306 G HA3 0.514 4.476 3.960 0.002 0.000 0.299 306 G C -0.658 174.257 174.900 0.025 0.000 1.291 306 G CA 0.184 45.300 45.100 0.026 0.000 0.841 306 G HN 1.516 nan 8.290 nan 0.000 0.500 307 S N -1.380 114.338 115.700 0.030 0.000 2.654 307 S HA 0.728 5.199 4.470 0.002 0.000 0.283 307 S C -0.390 174.227 174.600 0.029 0.000 1.180 307 S CA -0.677 57.539 58.200 0.027 0.000 1.021 307 S CB 1.837 65.053 63.200 0.026 0.000 1.018 307 S HN 1.066 nan 8.310 nan 0.000 0.532 308 V N 2.479 122.408 119.914 0.025 0.000 2.347 308 V HA 0.438 4.559 4.120 0.002 0.000 0.280 308 V C -0.260 175.850 176.094 0.026 0.000 1.021 308 V CA -0.357 61.958 62.300 0.025 0.000 0.847 308 V CB 0.671 32.506 31.823 0.020 0.000 0.990 308 V HN 0.922 nan 8.190 nan 0.000 0.444 309 Q N 3.123 122.942 119.800 0.032 0.000 2.375 309 Q HA 0.367 4.708 4.340 0.002 0.000 0.271 309 Q C -0.234 175.787 176.000 0.035 0.000 1.074 309 Q CA -0.620 55.203 55.803 0.033 0.000 0.808 309 Q CB 2.378 31.140 28.738 0.041 0.000 1.327 309 Q HN 0.755 nan 8.270 nan 0.000 0.441 310 N N 2.218 120.936 118.700 0.030 0.000 2.454 310 N HA -0.082 4.659 4.740 0.002 0.000 0.260 310 N C -1.217 174.320 175.510 0.044 0.000 1.218 310 N CA 0.547 53.616 53.050 0.031 0.000 0.904 310 N CB 0.632 39.134 38.487 0.025 0.000 1.065 310 N HN 0.538 nan 8.380 nan 0.000 0.462 311 D N 2.516 122.947 120.400 0.053 0.000 2.344 311 D HA 0.108 4.749 4.640 0.002 0.000 0.239 311 D C 0.930 177.276 176.300 0.076 0.000 1.064 311 D CA -0.411 53.637 54.000 0.080 0.000 0.829 311 D CB 1.461 42.320 40.800 0.099 0.000 1.129 311 D HN 0.633 nan 8.370 nan 0.000 0.506 312 T N 1.150 115.758 114.554 0.091 0.000 3.043 312 T HA -0.056 4.295 4.350 0.002 0.000 0.263 312 T C 1.773 176.528 174.700 0.090 0.000 1.094 312 T CA 0.091 62.234 62.100 0.072 0.000 1.127 312 T CB -0.360 68.546 68.868 0.063 0.000 0.905 312 T HN 0.423 nan 8.240 nan 0.000 0.490 313 F N 1.501 121.460 119.950 0.016 0.000 2.259 313 F HA 0.204 4.732 4.527 0.003 0.000 0.298 313 F C 2.035 177.841 175.800 0.010 0.000 1.088 313 F CA 0.455 58.463 58.000 0.013 0.000 1.358 313 F CB -0.057 38.952 39.000 0.015 0.000 1.040 313 F HN 0.056 nan 8.300 nan 0.000 0.505 314 V N 1.463 121.315 119.914 -0.103 0.000 3.506 314 V HA 0.110 4.231 4.120 0.002 0.000 0.263 314 V C 0.812 176.825 176.094 -0.135 0.000 1.203 314 V CA 0.531 62.720 62.300 -0.185 0.000 1.133 314 V CB -0.668 31.154 31.823 -0.001 0.000 0.802 314 V HN 0.471 nan 8.190 nan 0.000 0.459 315 R N 0.949 121.397 120.500 -0.086 0.000 3.641 315 R HA -0.136 4.206 4.340 0.002 0.000 0.286 315 R C -0.614 175.671 176.300 -0.025 0.000 1.153 315 R CA 1.083 57.151 56.100 -0.052 0.000 0.775 315 R CB -2.300 27.955 30.300 -0.075 0.000 1.215 315 R HN 0.507 nan 8.270 nan 0.000 0.474 316 D N -0.269 120.126 120.400 -0.008 0.000 2.661 316 D HA 0.378 5.019 4.640 0.002 0.000 0.228 316 D C 0.595 176.906 176.300 0.017 0.000 1.210 316 D CA -0.776 53.227 54.000 0.005 0.000 0.826 316 D CB 1.281 42.085 40.800 0.006 0.000 1.542 316 D HN -0.123 nan 8.370 nan 0.000 0.447 317 L N 0.339 121.573 121.223 0.018 0.000 2.483 317 L HA 0.372 4.713 4.340 0.002 0.000 0.277 317 L C 0.270 177.155 176.870 0.024 0.000 1.248 317 L CA 0.190 55.043 54.840 0.022 0.000 0.825 317 L CB 0.243 42.314 42.059 0.019 0.000 1.096 317 L HN 0.055 nan 8.230 nan 0.000 0.512 318 V N 1.467 121.397 119.914 0.027 0.000 3.108 318 V HA 0.335 4.456 4.120 0.002 0.000 0.287 318 V C -0.881 175.229 176.094 0.026 0.000 1.436 318 V CA -0.485 61.830 62.300 0.025 0.000 1.001 318 V CB 2.479 34.325 31.823 0.039 0.000 1.141 318 V HN 0.467 nan 8.190 nan 0.000 0.443 319 I N 5.327 125.906 120.570 0.016 0.000 2.331 319 I HA 0.413 4.585 4.170 0.002 0.000 0.292 319 I C -0.530 175.606 176.117 0.031 0.000 0.998 319 I CA -0.528 60.784 61.300 0.020 0.000 1.267 319 I CB 1.372 39.376 38.000 0.007 0.000 1.386 319 I HN 0.308 nan 8.210 nan 0.000 0.476 320 I N 6.215 126.818 120.570 0.055 0.000 2.297 320 I HA 0.333 4.504 4.170 0.002 0.000 0.291 320 I C 0.627 176.784 176.117 0.067 0.000 1.033 320 I CA -0.327 61.028 61.300 0.091 0.000 1.253 320 I CB 0.684 38.759 38.000 0.126 0.000 1.396 320 I HN 0.515 nan 8.210 nan 0.000 0.476 321 A N 6.480 129.330 122.820 0.051 0.000 2.309 321 A HA 0.455 4.777 4.320 0.002 0.000 0.298 321 A C 0.860 178.472 177.584 0.047 0.000 1.165 321 A CA -0.513 51.544 52.037 0.032 0.000 0.821 321 A CB 0.405 19.407 19.000 0.004 0.000 1.102 321 A HN 0.716 nan 8.150 nan 0.000 0.500 322 N N 0.711 119.433 118.700 0.038 0.000 2.405 322 N HA 0.041 4.782 4.740 0.002 0.000 0.175 322 N C -0.691 174.834 175.510 0.026 0.000 1.051 322 N CA 0.668 53.740 53.050 0.036 0.000 0.899 322 N CB 0.396 38.901 38.487 0.030 0.000 1.000 322 N HN 0.806 nan 8.380 nan 0.000 0.451 323 D N -0.198 120.214 120.400 0.019 0.000 2.934 323 D HA 0.504 5.145 4.640 0.002 0.000 0.230 323 D C -1.696 174.610 176.300 0.010 0.000 1.204 323 D CA -0.394 53.615 54.000 0.015 0.000 0.873 323 D CB 2.271 43.082 40.800 0.017 0.000 1.645 323 D HN -0.169 nan 8.370 nan 0.000 0.502 324 L N 3.189 124.416 121.223 0.008 0.000 2.470 324 L HA 0.576 4.918 4.340 0.002 0.000 0.268 324 L C -1.769 175.108 176.870 0.010 0.000 0.964 324 L CA -0.585 54.257 54.840 0.004 0.000 0.839 324 L CB 1.542 43.595 42.059 -0.010 0.000 1.276 324 L HN 0.377 nan 8.230 nan 0.000 0.403 325 N N 3.699 122.412 118.700 0.020 0.000 2.346 325 N HA 0.239 4.980 4.740 0.002 0.000 0.289 325 N C -1.225 174.310 175.510 0.041 0.000 1.027 325 N CA -0.624 52.442 53.050 0.027 0.000 0.864 325 N CB 2.541 41.046 38.487 0.030 0.000 1.370 325 N HN 0.616 nan 8.380 nan 0.000 0.481 326 E N 2.554 122.777 120.200 0.039 0.000 2.414 326 E HA 0.215 4.567 4.350 0.002 0.000 0.263 326 E C -0.249 176.396 176.600 0.075 0.000 1.000 326 E CA -0.193 56.243 56.400 0.060 0.000 0.914 326 E CB 0.542 30.269 29.700 0.047 0.000 0.948 326 E HN 0.575 nan 8.360 nan 0.000 0.444 327 I N 0.029 120.669 120.570 0.116 0.000 3.206 327 I HA 0.716 4.887 4.170 0.002 0.000 0.313 327 I C -0.444 175.723 176.117 0.083 0.000 1.103 327 I CA -1.528 59.828 61.300 0.094 0.000 0.985 327 I CB 1.583 39.645 38.000 0.103 0.000 1.240 327 I HN 0.497 nan 8.210 nan 0.000 0.464 328 A N 1.208 124.035 122.820 0.012 0.000 2.407 328 A HA 0.614 4.935 4.320 0.002 0.000 0.248 328 A C 1.154 178.609 177.584 -0.216 0.000 1.082 328 A CA 0.152 52.156 52.037 -0.055 0.000 0.785 328 A CB 0.657 19.622 19.000 -0.059 0.000 1.020 328 A HN 1.092 nan 8.150 nan 0.000 0.489 329 A N 2.265 124.873 122.820 -0.353 0.000 2.125 329 A HA 0.178 4.500 4.320 0.002 0.000 0.219 329 A C 1.634 178.816 177.584 -0.669 0.000 1.156 329 A CA 1.702 53.189 52.037 -0.917 0.000 0.671 329 A CB -1.801 16.853 19.000 -0.577 0.000 0.794 329 A HN 2.409 nan 8.150 nan 0.000 0.459 330 N N 1.024 119.528 118.700 -0.327 0.000 2.712 330 N HA -0.216 4.525 4.740 0.002 0.000 0.261 330 N C 0.274 175.676 175.510 -0.180 0.000 0.950 330 N CA 1.365 54.298 53.050 -0.196 0.000 0.821 330 N CB -1.704 36.695 38.487 -0.146 0.000 0.919 330 N HN 0.954 nan 8.380 nan 0.000 0.551 331 E N -0.669 119.430 120.200 -0.168 0.000 2.391 331 E HA 0.147 4.498 4.350 0.002 0.000 0.255 331 E C 0.122 176.743 176.600 0.034 0.000 1.187 331 E CA -0.586 55.767 56.400 -0.080 0.000 0.941 331 E CB 0.580 30.251 29.700 -0.049 0.000 1.010 331 E HN 0.568 nan 8.360 nan 0.000 0.458 332 R N 0.716 121.278 120.500 0.103 0.000 2.474 332 R HA -0.136 4.205 4.340 0.002 0.000 0.290 332 R C -0.087 176.381 176.300 0.280 0.000 0.918 332 R CA 0.758 56.961 56.100 0.171 0.000 1.130 332 R CB 0.086 30.540 30.300 0.257 0.000 0.881 332 R HN 0.400 nan 8.270 nan 0.000 0.416 333 Q N 1.401 121.257 119.800 0.092 0.000 2.274 333 Q HA 0.167 4.509 4.340 0.002 0.000 0.260 333 Q C -1.181 174.713 176.000 -0.176 0.000 0.974 333 Q CA -0.371 55.471 55.803 0.064 0.000 0.876 333 Q CB 1.629 30.381 28.738 0.025 0.000 1.297 333 Q HN 0.419 nan 8.270 nan 0.000 0.446 334 D N 1.296 121.557 120.400 -0.232 0.000 2.412 334 D HA 0.109 4.751 4.640 0.002 0.000 0.224 334 D C 0.099 176.317 176.300 -0.138 0.000 1.093 334 D CA -0.043 53.734 54.000 -0.372 0.000 0.850 334 D CB 1.119 41.653 40.800 -0.443 0.000 1.046 334 D HN 0.731 nan 8.370 nan 0.000 0.507 335 T N 0.622 115.099 114.554 -0.129 0.000 3.086 335 T HA 0.345 4.696 4.350 0.002 0.000 0.250 335 T C 0.973 175.642 174.700 -0.051 0.000 1.074 335 T CA -0.173 61.887 62.100 -0.067 0.000 0.988 335 T CB 0.242 69.075 68.868 -0.058 0.000 0.988 335 T HN 0.352 nan 8.240 nan 0.000 0.530 336 A N 2.908 125.690 122.820 -0.064 0.000 2.492 336 A HA 0.519 4.840 4.320 0.002 0.000 0.236 336 A C -2.235 175.334 177.584 -0.025 0.000 1.078 336 A CA -1.096 50.913 52.037 -0.047 0.000 0.773 336 A CB -0.357 18.606 19.000 -0.062 0.000 1.023 336 A HN 0.345 nan 8.150 nan 0.000 0.504 337 P HA 0.185 nan 4.420 nan 0.000 0.274 337 P C -0.199 177.100 177.300 -0.000 0.000 1.231 337 P CA -0.457 62.638 63.100 -0.008 0.000 0.790 337 P CB 0.427 32.121 31.700 -0.010 0.000 0.951 338 E N 1.009 121.215 120.200 0.010 0.000 2.442 338 E HA 0.148 4.499 4.350 0.002 0.000 0.262 338 E C 1.101 177.706 176.600 0.009 0.000 1.004 338 E CA 0.969 57.380 56.400 0.018 0.000 0.928 338 E CB -0.382 29.331 29.700 0.022 0.000 0.937 338 E HN 0.753 nan 8.360 nan 0.000 0.446 339 G N 2.273 111.080 108.800 0.011 0.000 2.284 339 G HA2 -0.380 3.581 3.960 0.002 0.000 0.247 339 G HA3 -0.380 3.581 3.960 0.002 0.000 0.247 339 G C 0.579 175.473 174.900 -0.010 0.000 1.012 339 G CA 0.540 45.641 45.100 0.002 0.000 0.618 339 G HN 0.755 nan 8.290 nan 0.000 0.521 340 E N 0.270 120.460 120.200 -0.015 0.000 2.651 340 E HA 0.655 5.007 4.350 0.002 0.000 0.213 340 E C 0.361 176.931 176.600 -0.049 0.000 1.028 340 E CA 0.464 56.845 56.400 -0.031 0.000 1.183 340 E CB 0.183 29.865 29.700 -0.030 0.000 1.188 340 E HN 0.536 nan 8.360 nan 0.000 0.444 341 K N 0.310 120.680 120.400 -0.050 0.000 2.087 341 K HA 0.477 4.798 4.320 0.002 0.000 0.255 341 K C 0.232 176.730 176.600 -0.169 0.000 0.988 341 K CA -0.708 55.522 56.287 -0.096 0.000 0.915 341 K CB 1.331 33.817 32.500 -0.023 0.000 1.043 341 K HN 0.315 nan 8.250 nan 0.000 0.457 342 R N 1.027 121.336 120.500 -0.318 0.000 2.582 342 R HA 0.324 4.665 4.340 0.002 0.000 0.271 342 R C -1.009 175.081 176.300 -0.350 0.000 1.078 342 R CA -0.358 55.543 56.100 -0.330 0.000 1.127 342 R CB 0.638 30.712 30.300 -0.376 0.000 1.038 342 R HN 0.300 nan 8.270 nan 0.000 0.500 343 V N 2.974 122.802 119.914 -0.144 0.000 2.487 343 V HA 0.153 4.275 4.120 0.002 0.000 0.298 343 V C -0.545 175.583 176.094 0.056 0.000 1.028 343 V CA -0.783 61.508 62.300 -0.015 0.000 0.860 343 V CB 1.600 33.410 31.823 -0.023 0.000 0.991 343 V HN 0.734 nan 8.190 nan 0.000 0.427 344 E N 3.660 123.976 120.200 0.193 0.000 2.259 344 E HA 0.374 4.726 4.350 0.002 0.000 0.281 344 E C -0.002 176.631 176.600 0.055 0.000 1.037 344 E CA 0.140 56.642 56.400 0.171 0.000 0.854 344 E CB 1.049 30.889 29.700 0.233 0.000 1.051 344 E HN 0.589 nan 8.360 nan 0.000 0.409 345 L N 3.624 124.881 121.223 0.056 0.000 2.858 345 L HA 0.318 4.660 4.340 0.002 0.000 0.251 345 L C 0.085 177.018 176.870 0.103 0.000 1.149 345 L CA -0.148 54.705 54.840 0.021 0.000 0.955 345 L CB 0.274 42.296 42.059 -0.061 0.000 1.289 345 L HN 0.578 nan 8.230 nan 0.000 0.542 346 H N 0.930 120.009 119.070 0.014 0.000 3.239 346 H HA 0.589 5.146 4.556 0.002 0.000 0.320 346 H C -1.480 173.795 175.328 -0.090 0.000 1.074 346 H CA -0.453 55.605 56.048 0.017 0.000 1.553 346 H CB 1.296 31.143 29.762 0.142 0.000 1.752 346 H HN -0.007 nan 8.280 nan 0.000 0.513 347 L N 4.753 125.979 121.223 0.004 0.000 2.482 347 L HA 0.471 4.813 4.340 0.002 0.000 0.263 347 L C -1.633 175.072 176.870 -0.275 0.000 0.957 347 L CA -0.600 54.162 54.840 -0.130 0.000 0.836 347 L CB 1.887 43.815 42.059 -0.217 0.000 1.324 347 L HN 0.647 nan 8.230 nan 0.000 0.406 348 H N 2.340 121.281 119.070 -0.214 0.000 2.492 348 H HA 0.517 5.075 4.556 0.003 0.000 0.345 348 H C -0.579 174.673 175.328 -0.127 0.000 1.136 348 H CA -0.196 55.730 56.048 -0.202 0.000 1.202 348 H CB 2.191 31.687 29.762 -0.444 0.000 1.524 348 H HN 0.765 nan 8.280 nan 0.000 0.506 349 T N -1.025 113.570 114.554 0.067 0.000 2.938 349 T HA 0.214 4.566 4.350 0.002 0.000 0.285 349 T C -2.063 172.691 174.700 0.091 0.000 1.028 349 T CA -2.313 59.822 62.100 0.059 0.000 1.005 349 T CB 1.847 70.747 68.868 0.053 0.000 1.157 349 T HN 0.152 nan 8.240 nan 0.000 0.550 350 P HA -0.004 nan 4.420 nan 0.000 0.226 350 P C 1.350 178.702 177.300 0.087 0.000 1.146 350 P CA 0.717 63.863 63.100 0.077 0.000 0.773 350 P CB -0.093 31.636 31.700 0.048 0.000 0.772 351 M N -1.722 117.932 119.600 0.090 0.000 2.557 351 M HA 0.026 4.508 4.480 0.002 0.000 0.259 351 M C 0.656 177.034 176.300 0.130 0.000 1.086 351 M CA 0.807 56.163 55.300 0.093 0.000 1.096 351 M CB -1.274 31.375 32.600 0.082 0.000 1.424 351 M HN -0.212 nan 8.290 nan 0.000 0.488 352 S N 2.108 117.907 115.700 0.166 0.000 2.700 352 S HA 0.074 4.545 4.470 0.002 0.000 0.321 352 S C 0.471 175.179 174.600 0.181 0.000 1.161 352 S CA -0.203 58.132 58.200 0.224 0.000 1.078 352 S CB -0.301 63.080 63.200 0.301 0.000 1.302 352 S HN 0.335 nan 8.310 nan 0.000 0.540 353 Q N 4.407 124.314 119.800 0.178 0.000 2.751 353 Q HA -0.129 4.212 4.340 0.002 0.000 0.338 353 Q C 0.267 176.346 176.000 0.132 0.000 1.085 353 Q CA 0.647 56.540 55.803 0.149 0.000 1.123 353 Q CB -0.020 28.813 28.738 0.159 0.000 0.975 353 Q HN 0.631 nan 8.270 nan 0.000 0.399 354 M N 2.859 122.529 119.600 0.117 0.000 2.576 354 M HA -0.290 4.192 4.480 0.002 0.000 0.200 354 M C -0.444 175.909 176.300 0.088 0.000 0.487 354 M CA 1.258 56.617 55.300 0.097 0.000 0.553 354 M CB -1.756 30.890 32.600 0.075 0.000 2.042 354 M HN 0.732 nan 8.290 nan 0.000 0.758 355 D N -1.377 119.093 120.400 0.116 0.000 2.449 355 D HA 0.539 5.180 4.640 0.002 0.000 0.255 355 D C 0.234 176.667 176.300 0.222 0.000 1.121 355 D CA 1.048 55.127 54.000 0.133 0.000 0.830 355 D CB 0.803 41.672 40.800 0.114 0.000 1.280 355 D HN 0.515 nan 8.370 nan 0.000 0.522 356 A N -0.714 122.223 122.820 0.195 0.000 2.532 356 A HA 0.683 5.005 4.320 0.002 0.000 0.290 356 A C -0.245 177.443 177.584 0.174 0.000 1.143 356 A CA -0.412 51.761 52.037 0.228 0.000 0.728 356 A CB 1.754 20.845 19.000 0.151 0.000 1.317 356 A HN -0.053 nan 8.150 nan 0.000 0.414 357 V N -0.465 119.559 119.914 0.184 0.000 3.264 357 V HA 0.155 4.276 4.120 0.002 0.000 0.262 357 V C 0.334 176.455 176.094 0.046 0.000 1.616 357 V CA 1.175 63.543 62.300 0.113 0.000 1.033 357 V CB 0.864 32.778 31.823 0.151 0.000 0.865 357 V HN 0.862 nan 8.190 nan 0.000 0.420 358 T N 2.211 116.814 114.554 0.082 0.000 2.767 358 T HA 0.397 4.749 4.350 0.002 0.000 0.284 358 T C 0.259 174.962 174.700 0.006 0.000 0.973 358 T CA 0.050 62.167 62.100 0.028 0.000 0.996 358 T CB 1.337 70.242 68.868 0.062 0.000 0.927 358 T HN 0.489 nan 8.240 nan 0.000 0.456 359 S N 2.351 118.041 115.700 -0.017 0.000 2.566 359 S HA 0.038 4.510 4.470 0.002 0.000 0.280 359 S C 1.620 176.205 174.600 -0.025 0.000 1.343 359 S CA -0.694 57.497 58.200 -0.015 0.000 1.036 359 S CB 0.750 63.937 63.200 -0.022 0.000 0.866 359 S HN 0.511 nan 8.310 nan 0.000 0.526 360 V N 3.051 122.956 119.914 -0.016 0.000 2.490 360 V HA -0.136 3.985 4.120 0.002 0.000 0.250 360 V C 2.291 178.346 176.094 -0.065 0.000 1.061 360 V CA 2.654 64.934 62.300 -0.033 0.000 1.064 360 V CB -1.388 30.437 31.823 0.004 0.000 0.670 360 V HN 1.122 nan 8.190 nan 0.000 0.461 361 T N -0.185 114.332 114.554 -0.061 0.000 2.746 361 T HA -0.194 4.157 4.350 0.002 0.000 0.267 361 T C 1.860 176.467 174.700 -0.155 0.000 1.039 361 T CA 1.877 63.912 62.100 -0.108 0.000 1.142 361 T CB -0.191 68.638 68.868 -0.065 0.000 0.866 361 T HN 0.516 nan 8.240 nan 0.000 0.444 362 K N 0.332 120.671 120.400 -0.102 0.000 2.097 362 K HA 0.035 4.357 4.320 0.002 0.000 0.205 362 K C 2.079 178.612 176.600 -0.112 0.000 1.050 362 K CA 0.672 56.897 56.287 -0.103 0.000 0.938 362 K CB -0.169 32.294 32.500 -0.063 0.000 0.718 362 K HN 0.129 nan 8.250 nan 0.000 0.442 363 L N 1.182 122.355 121.223 -0.084 0.000 2.017 363 L HA -0.156 4.186 4.340 0.002 0.000 0.208 363 L C 2.204 179.036 176.870 -0.063 0.000 1.073 363 L CA 1.616 56.422 54.840 -0.056 0.000 0.745 363 L CB -0.935 41.044 42.059 -0.132 0.000 0.894 363 L HN 0.182 nan 8.230 nan 0.000 0.432 364 I N -0.416 120.081 120.570 -0.120 0.000 2.208 364 I HA -0.329 3.842 4.170 0.002 0.000 0.245 364 I C 2.465 178.460 176.117 -0.203 0.000 1.097 364 I CA 1.224 62.441 61.300 -0.139 0.000 1.363 364 I CB -0.240 37.667 38.000 -0.155 0.000 1.051 364 I HN 0.361 nan 8.210 nan 0.000 0.413 365 E N 0.105 120.116 120.200 -0.316 0.000 2.058 365 E HA -0.327 4.025 4.350 0.002 0.000 0.194 365 E C 2.122 178.579 176.600 -0.238 0.000 0.997 365 E CA 1.484 57.706 56.400 -0.296 0.000 0.801 365 E CB -0.111 29.436 29.700 -0.254 0.000 0.746 365 E HN 0.351 nan 8.360 nan 0.000 0.450 366 Q N 0.704 120.317 119.800 -0.311 0.000 2.084 366 Q HA -0.150 4.191 4.340 0.002 0.000 0.202 366 Q C 1.935 177.493 176.000 -0.737 0.000 0.978 366 Q CA 1.924 57.355 55.803 -0.621 0.000 0.844 366 Q CB -0.385 27.921 28.738 -0.720 0.000 0.898 366 Q HN 0.257 nan 8.270 nan 0.000 0.426 367 A N 0.313 122.914 122.820 -0.364 0.000 1.908 367 A HA -0.231 4.090 4.320 0.002 0.000 0.218 367 A C 2.044 179.510 177.584 -0.196 0.000 1.181 367 A CA 2.061 53.912 52.037 -0.310 0.000 0.627 367 A CB -0.671 18.368 19.000 0.066 0.000 0.818 367 A HN 0.337 nan 8.150 nan 0.000 0.445 368 K N 0.028 120.362 120.400 -0.109 0.000 2.026 368 K HA -0.117 4.205 4.320 0.002 0.000 0.208 368 K C 2.003 178.593 176.600 -0.016 0.000 1.048 368 K CA 1.768 58.047 56.287 -0.013 0.000 0.929 368 K CB -0.226 32.297 32.500 0.039 0.000 0.713 368 K HN 0.194 nan 8.250 nan 0.000 0.439 369 K N -0.335 120.005 120.400 -0.099 0.000 2.057 369 K HA -0.102 4.219 4.320 0.002 0.000 0.207 369 K C 1.649 178.283 176.600 0.057 0.000 1.049 369 K CA 1.079 57.328 56.287 -0.063 0.000 0.931 369 K CB -0.367 32.038 32.500 -0.159 0.000 0.714 369 K HN 0.311 nan 8.250 nan 0.000 0.440 370 W N 0.612 121.825 121.300 -0.145 0.000 2.961 370 W HA 0.127 4.789 4.660 0.002 0.000 0.240 370 W C 1.087 177.632 176.519 0.043 0.000 1.305 370 W CA 0.962 58.233 57.345 -0.124 0.000 1.465 370 W CB -0.921 28.323 29.460 -0.360 0.000 1.135 370 W HN 0.426 nan 8.180 nan 0.000 0.688 371 G N -0.079 108.859 108.800 0.229 0.000 2.153 371 G HA2 -0.302 3.660 3.960 0.002 0.000 0.252 371 G HA3 -0.302 3.660 3.960 0.002 0.000 0.252 371 G C 0.220 175.289 174.900 0.283 0.000 0.994 371 G CA 0.064 45.288 45.100 0.206 0.000 0.698 371 G HN 0.505 nan 8.290 nan 0.000 0.521 372 H N 0.642 119.788 119.070 0.127 0.000 2.964 372 H HA 0.155 4.712 4.556 0.002 0.000 0.328 372 H C -1.010 174.363 175.328 0.075 0.000 1.030 372 H CA -0.928 55.185 56.048 0.109 0.000 1.445 372 H CB 1.269 31.132 29.762 0.167 0.000 1.449 372 H HN 0.168 nan 8.280 nan 0.000 0.581 373 P HA 0.044 nan 4.420 nan 0.000 0.229 373 P C -0.161 177.184 177.300 0.075 0.000 1.160 373 P CA 0.693 63.845 63.100 0.087 0.000 0.777 373 P CB 0.742 32.467 31.700 0.042 0.000 0.814 374 A N -0.994 121.885 122.820 0.098 0.000 2.586 374 A HA 0.738 5.059 4.320 0.002 0.000 0.290 374 A C -1.864 175.776 177.584 0.095 0.000 1.086 374 A CA -0.578 51.494 52.037 0.059 0.000 0.665 374 A CB 0.885 19.888 19.000 0.005 0.000 1.279 374 A HN 0.019 nan 8.150 nan 0.000 0.423 375 I N -0.379 120.206 120.570 0.024 0.000 2.775 375 I HA 0.667 4.838 4.170 0.002 0.000 0.295 375 I C -0.453 175.606 176.117 -0.096 0.000 1.287 375 I CA -0.644 60.669 61.300 0.021 0.000 1.029 375 I CB 1.912 39.942 38.000 0.050 0.000 1.282 375 I HN 1.209 nan 8.210 nan 0.000 0.426 376 A N 6.218 128.977 122.820 -0.101 0.000 2.320 376 A HA 0.820 5.141 4.320 0.002 0.000 0.334 376 A C -1.373 176.125 177.584 -0.144 0.000 1.147 376 A CA -0.485 51.468 52.037 -0.139 0.000 0.820 376 A CB 1.714 20.663 19.000 -0.086 0.000 1.218 376 A HN 0.430 nan 8.150 nan 0.000 0.482 377 V N 1.831 121.664 119.914 -0.134 0.000 2.376 377 V HA 0.549 4.671 4.120 0.002 0.000 0.287 377 V C 0.012 176.136 176.094 0.051 0.000 1.015 377 V CA 0.143 62.416 62.300 -0.045 0.000 0.834 377 V CB 1.418 33.249 31.823 0.012 0.000 1.001 377 V HN 1.083 nan 8.190 nan 0.000 0.428 378 T N -0.518 113.998 114.554 -0.062 0.000 3.418 378 T HA 0.356 4.707 4.350 0.002 0.000 0.315 378 T C -0.454 174.090 174.700 -0.260 0.000 1.447 378 T CA -0.725 61.310 62.100 -0.108 0.000 1.641 378 T CB 0.142 68.881 68.868 -0.215 0.000 0.904 378 T HN 0.408 nan 8.240 nan 0.000 0.640 379 D N 1.732 122.076 120.400 -0.093 0.000 2.371 379 D HA 0.111 4.752 4.640 0.002 0.000 0.242 379 D C 0.113 176.461 176.300 0.080 0.000 1.218 379 D CA -0.082 53.900 54.000 -0.031 0.000 0.945 379 D CB 0.611 41.464 40.800 0.090 0.000 1.137 379 D HN 0.599 nan 8.370 nan 0.000 0.464 380 H N 0.184 119.340 119.070 0.144 0.000 2.944 380 H HA 0.350 4.907 4.556 0.002 0.000 0.278 380 H C 0.702 176.083 175.328 0.089 0.000 1.083 380 H CA 0.331 56.452 56.048 0.122 0.000 1.479 380 H CB -0.050 29.816 29.762 0.174 0.000 1.486 380 H HN 0.447 nan 8.280 nan 0.000 0.493 381 A N 2.535 125.207 122.820 -0.246 0.000 3.721 381 A HA -0.218 4.104 4.320 0.002 0.000 0.270 381 A C 0.409 178.003 177.584 0.016 0.000 1.036 381 A CA 1.560 53.463 52.037 -0.224 0.000 1.102 381 A CB -2.381 16.341 19.000 -0.463 0.000 1.100 381 A HN 1.229 nan 8.150 nan 0.000 0.887 382 V N -3.738 116.201 119.914 0.042 0.000 3.040 382 V HA 0.833 4.955 4.120 0.002 0.000 0.312 382 V C 0.647 176.747 176.094 0.009 0.000 1.115 382 V CA -0.049 62.322 62.300 0.117 0.000 0.998 382 V CB 2.111 34.087 31.823 0.256 0.000 1.042 382 V HN 1.482 nan 8.190 nan 0.000 0.433 383 V N -0.596 119.300 119.914 -0.029 0.000 3.006 383 V HA 0.351 4.473 4.120 0.002 0.000 0.357 383 V C 1.351 177.375 176.094 -0.117 0.000 1.377 383 V CA 0.386 62.401 62.300 -0.475 0.000 1.198 383 V CB -0.681 30.428 31.823 -1.191 0.000 1.216 383 V HN 0.948 nan 8.190 nan 0.000 0.520 384 Q N 0.507 120.353 119.800 0.078 0.000 2.443 384 Q HA -0.055 4.286 4.340 0.002 0.000 0.213 384 Q C 2.102 178.166 176.000 0.107 0.000 0.982 384 Q CA 1.559 57.413 55.803 0.084 0.000 0.894 384 Q CB -0.023 28.666 28.738 -0.081 0.000 0.947 384 Q HN 0.683 nan 8.270 nan 0.000 0.480 385 S N -0.648 115.158 115.700 0.177 0.000 2.524 385 S HA 0.032 4.504 4.470 0.002 0.000 0.216 385 S C 0.930 175.750 174.600 0.367 0.000 0.987 385 S CA -0.160 58.173 58.200 0.222 0.000 0.909 385 S CB 0.060 63.382 63.200 0.203 0.000 0.781 385 S HN 0.304 nan 8.310 nan 0.000 0.521 386 F N 2.335 122.379 119.950 0.157 0.000 2.063 386 F HA -0.096 4.433 4.527 0.002 0.000 0.298 386 F C -0.533 175.321 175.800 0.091 0.000 1.105 386 F CA 0.954 59.083 58.000 0.215 0.000 1.215 386 F CB -2.333 36.814 39.000 0.246 0.000 0.972 386 F HN 0.217 nan 8.300 nan 0.000 0.483 387 P HA -0.176 nan 4.420 nan 0.000 0.215 387 P C 1.665 179.026 177.300 0.101 0.000 1.153 387 P CA 1.877 64.964 63.100 -0.021 0.000 0.853 387 P CB -0.105 31.453 31.700 -0.236 0.000 0.788 388 E N -0.470 119.785 120.200 0.092 0.000 2.106 388 E HA -0.147 4.205 4.350 0.002 0.000 0.192 388 E C 1.932 178.602 176.600 0.116 0.000 0.984 388 E CA 0.961 57.413 56.400 0.087 0.000 0.806 388 E CB -0.430 29.308 29.700 0.064 0.000 0.750 388 E HN 0.026 nan 8.360 nan 0.000 0.458 389 A N 0.780 123.702 122.820 0.171 0.000 1.877 389 A HA -0.225 4.096 4.320 0.002 0.000 0.216 389 A C 2.067 179.793 177.584 0.236 0.000 1.186 389 A CA 1.525 53.653 52.037 0.151 0.000 0.620 389 A CB -1.001 18.081 19.000 0.136 0.000 0.822 389 A HN 0.522 nan 8.150 nan 0.000 0.443 390 Y N 1.621 122.029 120.300 0.179 0.000 2.053 390 Y HA -0.255 4.297 4.550 0.002 0.000 0.277 390 Y C 2.824 178.774 175.900 0.082 0.000 1.159 390 Y CA 1.467 59.660 58.100 0.155 0.000 1.125 390 Y CB -0.995 37.510 38.460 0.075 0.000 0.969 390 Y HN 0.333 nan 8.280 nan 0.000 0.492 391 S N 0.216 115.924 115.700 0.014 0.000 2.372 391 S HA -0.291 4.180 4.470 0.002 0.000 0.227 391 S C 2.263 176.847 174.600 -0.028 0.000 1.044 391 S CA 1.589 59.728 58.200 -0.101 0.000 1.050 391 S CB -0.928 62.257 63.200 -0.025 0.000 0.901 391 S HN 0.630 nan 8.310 nan 0.000 0.447 392 A N 1.211 124.050 122.820 0.032 0.000 1.929 392 A HA 0.312 4.633 4.320 0.002 0.000 0.216 392 A C 2.350 179.972 177.584 0.063 0.000 1.176 392 A CA 1.394 53.457 52.037 0.044 0.000 0.628 392 A CB -0.994 17.983 19.000 -0.039 0.000 0.816 392 A HN 0.504 nan 8.150 nan 0.000 0.444 393 A N 0.135 122.993 122.820 0.064 0.000 1.917 393 A HA -0.218 4.103 4.320 0.002 0.000 0.219 393 A C 2.131 179.756 177.584 0.068 0.000 1.182 393 A CA 2.002 54.089 52.037 0.084 0.000 0.633 393 A CB -0.414 18.680 19.000 0.156 0.000 0.819 393 A HN 0.544 nan 8.150 nan 0.000 0.448 394 K N -0.733 119.663 120.400 -0.006 0.000 2.031 394 K HA -0.120 4.201 4.320 0.002 0.000 0.205 394 K C 2.242 178.831 176.600 -0.018 0.000 1.049 394 K CA 1.545 57.798 56.287 -0.057 0.000 0.939 394 K CB -0.142 32.230 32.500 -0.212 0.000 0.717 394 K HN 0.431 nan 8.250 nan 0.000 0.438 395 K N 0.591 120.997 120.400 0.011 0.000 2.097 395 K HA -0.153 4.168 4.320 0.002 0.000 0.206 395 K C 1.558 178.133 176.600 -0.043 0.000 1.049 395 K CA 1.538 57.826 56.287 0.002 0.000 0.933 395 K CB -0.013 32.528 32.500 0.068 0.000 0.717 395 K HN 0.298 nan 8.250 nan 0.000 0.442 396 H N -1.472 117.582 119.070 -0.026 0.000 2.575 396 H HA 0.162 4.719 4.556 0.002 0.000 0.267 396 H C 0.505 175.827 175.328 -0.010 0.000 0.966 396 H CA 0.466 56.503 56.048 -0.019 0.000 1.165 396 H CB 0.627 30.376 29.762 -0.021 0.000 1.433 396 H HN 0.494 nan 8.280 nan 0.000 0.544 397 G N 2.113 110.958 108.800 0.076 0.000 2.273 397 G HA2 -0.300 3.661 3.960 0.002 0.000 0.280 397 G HA3 -0.300 3.661 3.960 0.002 0.000 0.280 397 G C 0.026 174.965 174.900 0.065 0.000 1.047 397 G CA 0.621 45.753 45.100 0.053 0.000 0.869 397 G HN 0.230 nan 8.290 nan 0.000 0.502 398 M N -0.066 119.579 119.600 0.075 0.000 2.404 398 M HA 0.626 5.108 4.480 0.002 0.000 0.338 398 M C 0.191 176.514 176.300 0.038 0.000 1.150 398 M CA -1.323 54.010 55.300 0.054 0.000 1.016 398 M CB 1.187 33.811 32.600 0.040 0.000 1.672 398 M HN 0.136 nan 8.290 nan 0.000 0.448 399 K N 3.755 124.170 120.400 0.025 0.000 2.276 399 K HA 0.507 4.829 4.320 0.002 0.000 0.285 399 K C -1.703 174.863 176.600 -0.058 0.000 1.062 399 K CA -0.465 55.826 56.287 0.006 0.000 0.918 399 K CB 0.588 33.094 32.500 0.009 0.000 1.055 399 K HN 0.654 nan 8.250 nan 0.000 0.477 400 V N 6.521 126.354 119.914 -0.135 0.000 2.472 400 V HA 0.324 4.446 4.120 0.002 0.000 0.290 400 V C 0.135 175.935 176.094 -0.490 0.000 1.037 400 V CA -0.780 61.304 62.300 -0.359 0.000 0.908 400 V CB 1.467 32.948 31.823 -0.570 0.000 0.985 400 V HN 0.681 nan 8.190 nan 0.000 0.454 401 I N 5.071 125.393 120.570 -0.413 0.000 2.297 401 I HA 0.308 4.480 4.170 0.002 0.000 0.291 401 I C -0.836 175.032 176.117 -0.415 0.000 1.033 401 I CA -0.433 60.681 61.300 -0.310 0.000 1.253 401 I CB 0.490 38.401 38.000 -0.148 0.000 1.396 401 I HN 0.518 nan 8.210 nan 0.000 0.476 402 Y N 5.294 125.454 120.300 -0.233 0.000 2.480 402 Y HA 0.485 5.036 4.550 0.002 0.000 0.341 402 Y C 1.010 176.924 175.900 0.024 0.000 1.031 402 Y CA -0.021 57.835 58.100 -0.406 0.000 1.295 402 Y CB 0.819 38.773 38.460 -0.844 0.000 1.162 402 Y HN 0.651 nan 8.280 nan 0.000 0.523 403 G N 2.626 111.638 108.800 0.354 0.000 3.135 403 G HA2 0.758 4.720 3.960 0.002 0.000 0.278 403 G HA3 0.758 4.720 3.960 0.002 0.000 0.278 403 G C -1.934 173.159 174.900 0.322 0.000 1.302 403 G CA -0.883 44.402 45.100 0.307 0.000 0.880 403 G HN 0.494 nan 8.290 nan 0.000 0.574 404 L N 0.131 121.437 121.223 0.139 0.000 2.641 404 L HA 0.384 4.726 4.340 0.002 0.000 0.261 404 L C -1.315 175.559 176.870 0.006 0.000 0.926 404 L CA -0.526 54.352 54.840 0.064 0.000 0.917 404 L CB 2.274 44.371 42.059 0.062 0.000 1.361 404 L HN 0.751 nan 8.230 nan 0.000 0.417 405 E N 3.544 123.731 120.200 -0.023 0.000 2.089 405 E HA 0.624 4.976 4.350 0.002 0.000 0.284 405 E C -0.838 175.775 176.600 0.021 0.000 1.023 405 E CA -0.241 56.158 56.400 -0.002 0.000 0.819 405 E CB 1.417 31.141 29.700 0.041 0.000 1.076 405 E HN 0.618 nan 8.360 nan 0.000 0.396 406 A N 4.720 127.543 122.820 0.005 0.000 2.330 406 A HA 0.462 4.784 4.320 0.002 0.000 0.329 406 A C -0.609 176.939 177.584 -0.060 0.000 1.135 406 A CA -0.950 51.062 52.037 -0.042 0.000 0.817 406 A CB 1.017 19.997 19.000 -0.034 0.000 1.269 406 A HN 0.723 nan 8.150 nan 0.000 0.469 407 N N 1.712 120.353 118.700 -0.098 0.000 2.462 407 N HA 0.325 5.066 4.740 0.002 0.000 0.242 407 N C -0.919 174.465 175.510 -0.211 0.000 1.010 407 N CA -0.097 52.892 53.050 -0.101 0.000 0.939 407 N CB 0.937 39.389 38.487 -0.058 0.000 1.127 407 N HN 0.409 nan 8.380 nan 0.000 0.509 408 I N 2.348 122.660 120.570 -0.430 0.000 2.359 408 I HA 0.307 4.478 4.170 0.002 0.000 0.294 408 I C 0.549 176.265 176.117 -0.667 0.000 0.987 408 I CA -1.060 59.874 61.300 -0.609 0.000 1.225 408 I CB 1.188 38.644 38.000 -0.906 0.000 1.366 408 I HN 0.095 nan 8.210 nan 0.000 0.466 409 V N 2.166 121.885 119.914 -0.324 0.000 2.628 409 V HA 0.584 4.705 4.120 0.002 0.000 0.306 409 V C -0.394 175.672 176.094 -0.046 0.000 1.045 409 V CA -0.802 61.417 62.300 -0.136 0.000 0.905 409 V CB 1.996 33.769 31.823 -0.083 0.000 0.997 409 V HN 0.620 nan 8.190 nan 0.000 0.436 410 D N 3.391 123.836 120.400 0.076 0.000 2.390 410 D HA 0.463 5.105 4.640 0.002 0.000 0.249 410 D C -0.305 175.995 176.300 -0.001 0.000 1.144 410 D CA 0.608 54.641 54.000 0.056 0.000 0.880 410 D CB 0.809 41.658 40.800 0.081 0.000 1.182 410 D HN 0.985 nan 8.370 nan 0.000 0.451 619 F N -1.305 118.728 119.950 0.138 0.000 2.603 619 F HA 0.631 5.159 4.527 0.002 0.000 0.317 619 F C -0.368 175.624 175.800 0.320 0.000 1.066 619 F CA -0.947 57.164 58.000 0.185 0.000 0.941 619 F CB 1.611 40.685 39.000 0.123 0.000 1.291 619 F HN 0.121 nan 8.300 nan 0.000 0.472 620 H N 1.344 120.591 119.070 0.294 0.000 2.502 620 H HA 0.633 5.190 4.556 0.002 0.000 0.327 620 H C -0.315 175.185 175.328 0.286 0.000 1.099 620 H CA -0.911 55.269 56.048 0.221 0.000 1.323 620 H CB 2.033 31.934 29.762 0.232 0.000 1.450 620 H HN 0.701 nan 8.280 nan 0.000 0.502 621 V N 0.639 120.730 119.914 0.295 0.000 3.126 621 V HA 0.511 4.632 4.120 0.002 0.000 0.314 621 V C -0.031 176.142 176.094 0.133 0.000 1.138 621 V CA -0.894 61.570 62.300 0.272 0.000 1.034 621 V CB 2.078 34.115 31.823 0.358 0.000 1.075 621 V HN 0.666 nan 8.190 nan 0.000 0.442 622 T N 3.682 118.279 114.554 0.072 0.000 2.758 622 T HA 0.687 5.038 4.350 0.002 0.000 0.285 622 T C -0.410 174.333 174.700 0.072 0.000 0.981 622 T CA -0.148 61.962 62.100 0.018 0.000 0.965 622 T CB 0.656 69.538 68.868 0.024 0.000 0.927 622 T HN 0.617 nan 8.240 nan 0.000 0.448 623 L N 4.429 125.699 121.223 0.079 0.000 2.296 623 L HA 0.582 4.923 4.340 0.002 0.000 0.286 623 L C -0.544 176.407 176.870 0.136 0.000 1.023 623 L CA -0.846 54.057 54.840 0.104 0.000 0.812 623 L CB 1.113 43.220 42.059 0.080 0.000 1.223 623 L HN 0.386 nan 8.230 nan 0.000 0.421 624 L N 3.371 124.691 121.223 0.160 0.000 2.325 624 L HA 0.660 5.002 4.340 0.002 0.000 0.281 624 L C 0.260 177.191 176.870 0.100 0.000 1.004 624 L CA -0.617 54.301 54.840 0.130 0.000 0.823 624 L CB 1.847 43.978 42.059 0.120 0.000 1.236 624 L HN 0.673 nan 8.230 nan 0.000 0.415 625 A N 2.792 125.670 122.820 0.098 0.000 2.366 625 A HA 0.330 4.652 4.320 0.002 0.000 0.272 625 A C 0.684 178.290 177.584 0.036 0.000 1.135 625 A CA -0.229 51.846 52.037 0.064 0.000 0.804 625 A CB 0.627 19.668 19.000 0.069 0.000 1.064 625 A HN 0.915 nan 8.150 nan 0.000 0.499 626 Q N 0.970 120.780 119.800 0.016 0.000 2.339 626 Q HA 0.041 4.383 4.340 0.002 0.000 0.205 626 Q C -0.025 175.970 176.000 -0.008 0.000 0.925 626 Q CA 1.089 56.895 55.803 0.005 0.000 0.898 626 Q CB 0.094 28.834 28.738 0.002 0.000 1.013 626 Q HN 0.972 nan 8.270 nan 0.000 0.504 627 N N -1.608 117.077 118.700 -0.024 0.000 3.277 627 N HA 0.001 4.743 4.740 0.002 0.000 0.278 627 N C -0.406 175.056 175.510 -0.080 0.000 1.544 627 N CA -0.560 52.463 53.050 -0.044 0.000 0.869 627 N CB 0.316 38.781 38.487 -0.036 0.000 1.584 627 N HN -0.146 nan 8.380 nan 0.000 0.564 628 E N -1.042 119.099 120.200 -0.098 0.000 2.204 628 E HA -0.047 4.304 4.350 0.002 0.000 0.194 628 E C 0.769 177.281 176.600 -0.146 0.000 0.989 628 E CA 1.616 57.927 56.400 -0.147 0.000 0.824 628 E CB -0.504 29.111 29.700 -0.141 0.000 0.756 628 E HN 0.635 nan 8.360 nan 0.000 0.477 629 T N 0.777 115.272 114.554 -0.098 0.000 2.708 629 T HA -0.123 4.229 4.350 0.002 0.000 0.266 629 T C 2.048 176.697 174.700 -0.084 0.000 1.037 629 T CA 1.378 63.429 62.100 -0.082 0.000 1.146 629 T CB -0.774 68.063 68.868 -0.052 0.000 0.865 629 T HN 0.467 nan 8.240 nan 0.000 0.435 630 G N 1.466 110.225 108.800 -0.067 0.000 2.440 630 G HA2 -0.169 3.792 3.960 0.002 0.000 0.218 630 G HA3 -0.169 3.792 3.960 0.002 0.000 0.218 630 G C 1.555 176.407 174.900 -0.081 0.000 1.154 630 G CA 0.960 46.032 45.100 -0.047 0.000 0.767 630 G HN 0.437 nan 8.290 nan 0.000 0.552 631 L N 0.621 121.755 121.223 -0.150 0.000 2.017 631 L HA 0.078 4.419 4.340 0.002 0.000 0.208 631 L C 2.671 179.270 176.870 -0.453 0.000 1.073 631 L CA 2.631 57.309 54.840 -0.271 0.000 0.745 631 L CB -0.443 41.385 42.059 -0.384 0.000 0.894 631 L HN 0.247 nan 8.230 nan 0.000 0.432 632 K N -0.446 119.724 120.400 -0.383 0.000 2.097 632 K HA -0.206 4.116 4.320 0.002 0.000 0.206 632 K C 1.888 178.373 176.600 -0.192 0.000 1.049 632 K CA 2.010 58.095 56.287 -0.336 0.000 0.933 632 K CB -0.238 32.133 32.500 -0.214 0.000 0.717 632 K HN 0.530 nan 8.250 nan 0.000 0.442 633 N N 0.481 119.105 118.700 -0.128 0.000 2.166 633 N HA -0.133 4.608 4.740 0.002 0.000 0.186 633 N C 1.766 177.225 175.510 -0.085 0.000 1.019 633 N CA 0.941 53.941 53.050 -0.083 0.000 0.856 633 N CB -0.017 38.476 38.487 0.010 0.000 0.993 633 N HN 0.124 nan 8.380 nan 0.000 0.426 634 L N -0.006 121.199 121.223 -0.030 0.000 2.042 634 L HA -0.198 4.143 4.340 0.002 0.000 0.210 634 L C 1.858 178.799 176.870 0.117 0.000 1.076 634 L CA 1.414 56.290 54.840 0.059 0.000 0.749 634 L CB -0.513 41.651 42.059 0.175 0.000 0.893 634 L HN 0.305 nan 8.230 nan 0.000 0.432 635 F N 0.109 119.970 119.950 -0.148 0.000 2.186 635 F HA -0.223 4.305 4.527 0.003 0.000 0.299 635 F C 2.613 178.261 175.800 -0.254 0.000 1.090 635 F CA 0.658 58.541 58.000 -0.194 0.000 1.307 635 F CB -0.084 38.855 39.000 -0.102 0.000 1.019 635 F HN 0.034 nan 8.300 nan 0.000 0.489 636 K N 0.086 120.371 120.400 -0.191 0.000 2.026 636 K HA -0.186 4.136 4.320 0.002 0.000 0.208 636 K C 1.852 178.224 176.600 -0.380 0.000 1.048 636 K CA 0.972 56.953 56.287 -0.510 0.000 0.929 636 K CB -0.321 31.749 32.500 -0.717 0.000 0.713 636 K HN 0.064 nan 8.250 nan 0.000 0.439 637 L N 0.765 121.801 121.223 -0.312 0.000 2.013 637 L HA -0.179 4.163 4.340 0.002 0.000 0.212 637 L C 2.423 179.231 176.870 -0.104 0.000 1.073 637 L CA 1.460 56.188 54.840 -0.186 0.000 0.753 637 L CB -1.159 40.834 42.059 -0.111 0.000 0.890 637 L HN 0.122 nan 8.230 nan 0.000 0.432 638 V N -2.035 117.797 119.914 -0.137 0.000 2.515 638 V HA -0.232 3.890 4.120 0.002 0.000 0.250 638 V C 2.425 178.448 176.094 -0.118 0.000 1.058 638 V CA 2.042 64.249 62.300 -0.156 0.000 1.064 638 V CB -0.167 31.401 31.823 -0.426 0.000 0.675 638 V HN 0.467 nan 8.190 nan 0.000 0.461 639 S N 0.646 116.242 115.700 -0.173 0.000 2.348 639 S HA -0.090 4.382 4.470 0.002 0.000 0.221 639 S C 1.811 176.398 174.600 -0.023 0.000 1.033 639 S CA 2.113 60.247 58.200 -0.109 0.000 1.010 639 S CB -0.527 62.674 63.200 0.001 0.000 0.891 639 S HN 0.622 nan 8.310 nan 0.000 0.442 640 L N 1.767 122.978 121.223 -0.019 0.000 2.083 640 L HA -0.116 4.226 4.340 0.002 0.000 0.209 640 L C 2.722 179.698 176.870 0.177 0.000 1.083 640 L CA 1.443 56.322 54.840 0.066 0.000 0.752 640 L CB -0.726 41.409 42.059 0.127 0.000 0.899 640 L HN 0.443 nan 8.230 nan 0.000 0.433 641 S N -1.826 113.972 115.700 0.164 0.000 2.447 641 S HA -0.186 4.286 4.470 0.002 0.000 0.233 641 S C 1.594 176.296 174.600 0.170 0.000 1.006 641 S CA 0.928 59.228 58.200 0.167 0.000 0.957 641 S CB -0.402 62.836 63.200 0.063 0.000 0.773 641 S HN 0.502 nan 8.310 nan 0.000 0.507 642 H N -0.342 118.785 119.070 0.094 0.000 2.595 642 H HA 0.500 5.058 4.556 0.002 0.000 0.265 642 H C 1.403 176.753 175.328 0.038 0.000 0.953 642 H CA 0.777 56.883 56.048 0.095 0.000 1.197 642 H CB 0.272 30.002 29.762 -0.053 0.000 1.438 642 H HN 0.393 nan 8.280 nan 0.000 0.531 643 I N -1.220 119.408 120.570 0.096 0.000 4.083 643 I HA -0.030 4.141 4.170 0.002 0.000 0.240 643 I C 1.496 177.641 176.117 0.047 0.000 1.088 643 I CA 0.134 61.428 61.300 -0.010 0.000 1.651 643 I CB 0.132 37.993 38.000 -0.232 0.000 1.573 643 I HN -0.074 nan 8.210 nan 0.000 0.451 644 Q N 0.364 120.090 119.800 -0.124 0.000 2.119 644 Q HA -0.109 4.233 4.340 0.002 0.000 0.201 644 Q C 0.702 176.471 176.000 -0.385 0.000 0.972 644 Q CA 1.748 57.329 55.803 -0.369 0.000 0.847 644 Q CB 0.036 28.327 28.738 -0.746 0.000 0.903 644 Q HN 0.502 nan 8.270 nan 0.000 0.433 645 Y N -1.771 118.593 120.300 0.106 0.000 2.681 645 Y HA 0.253 4.805 4.550 0.002 0.000 0.267 645 Y C -0.525 175.440 175.900 0.108 0.000 1.166 645 Y CA -1.306 56.844 58.100 0.085 0.000 1.209 645 Y CB 0.001 38.487 38.460 0.044 0.000 1.161 645 Y HN -0.033 nan 8.280 nan 0.000 0.534 646 F N 1.216 121.228 119.950 0.102 0.000 2.472 646 F HA 0.172 4.701 4.527 0.002 0.000 0.364 646 F C 1.350 177.202 175.800 0.086 0.000 1.090 646 F CA 0.243 58.285 58.000 0.071 0.000 1.188 646 F CB 0.483 39.519 39.000 0.060 0.000 1.105 646 F HN 0.168 nan 8.300 nan 0.000 0.536 647 H N 5.358 124.142 119.070 -0.477 0.000 2.343 647 H HA 0.303 4.860 4.556 0.002 0.000 0.322 647 H C 1.640 176.719 175.328 -0.415 0.000 1.194 647 H CA 1.683 57.563 56.048 -0.280 0.000 1.780 647 H CB 0.384 30.041 29.762 -0.176 0.000 1.521 647 H HN 0.543 nan 8.280 nan 0.000 0.638 648 R N 0.460 120.793 120.500 -0.278 0.000 2.509 648 R HA 0.542 4.884 4.340 0.002 0.000 0.297 648 R C -0.255 175.722 176.300 -0.538 0.000 0.951 648 R CA 0.439 56.382 56.100 -0.262 0.000 1.103 648 R CB 0.042 30.333 30.300 -0.014 0.000 1.283 648 R HN 0.161 nan 8.270 nan 0.000 0.534 649 V N 0.652 119.990 119.914 -0.961 0.000 3.167 649 V HA 0.492 4.614 4.120 0.002 0.000 0.293 649 V C -2.947 172.753 176.094 -0.656 0.000 1.379 649 V CA -2.320 59.626 62.300 -0.589 0.000 1.019 649 V CB 3.134 34.850 31.823 -0.179 0.000 1.115 649 V HN 0.195 nan 8.190 nan 0.000 0.442 650 P HA 0.377 nan 4.420 nan 0.000 0.271 650 P C -1.332 175.872 177.300 -0.160 0.000 1.216 650 P CA -0.068 62.922 63.100 -0.184 0.000 0.771 650 P CB 0.269 31.737 31.700 -0.386 0.000 0.864 651 R N 2.100 122.555 120.500 -0.075 0.000 2.739 651 R HA 0.730 5.071 4.340 0.002 0.000 0.271 651 R C -1.504 174.764 176.300 -0.053 0.000 1.010 651 R CA -1.003 55.052 56.100 -0.075 0.000 0.897 651 R CB 1.200 31.448 30.300 -0.086 0.000 1.236 651 R HN 0.232 nan 8.270 nan 0.000 0.466 652 I N 1.552 122.048 120.570 -0.125 0.000 2.439 652 I HA 0.344 4.516 4.170 0.002 0.000 0.283 652 I C -2.384 173.592 176.117 -0.235 0.000 1.023 652 I CA -2.777 58.420 61.300 -0.171 0.000 1.100 652 I CB 2.191 40.126 38.000 -0.109 0.000 1.238 652 I HN 0.348 nan 8.210 nan 0.000 0.445 653 P HA -0.006 nan 4.420 nan 0.000 0.265 653 P C 0.677 177.870 177.300 -0.179 0.000 1.187 653 P CA -0.113 62.824 63.100 -0.272 0.000 0.766 653 P CB 0.636 32.111 31.700 -0.375 0.000 0.820 654 R N 3.022 123.448 120.500 -0.123 0.000 2.117 654 R HA -0.190 4.152 4.340 0.002 0.000 0.243 654 R C 1.856 178.125 176.300 -0.052 0.000 1.143 654 R CA 2.536 58.591 56.100 -0.075 0.000 0.968 654 R CB -0.887 29.357 30.300 -0.095 0.000 0.863 654 R HN 0.522 nan 8.270 nan 0.000 0.444 655 S N -0.113 115.542 115.700 -0.074 0.000 2.382 655 S HA -0.083 4.388 4.470 0.002 0.000 0.228 655 S C 2.005 176.581 174.600 -0.040 0.000 1.027 655 S CA 1.287 59.456 58.200 -0.051 0.000 0.991 655 S CB -0.378 62.790 63.200 -0.053 0.000 0.823 655 S HN 0.196 nan 8.310 nan 0.000 0.469 656 V N 1.688 121.562 119.914 -0.066 0.000 2.667 656 V HA 0.012 4.134 4.120 0.002 0.000 0.252 656 V C 2.419 178.574 176.094 0.102 0.000 1.065 656 V CA 1.341 63.645 62.300 0.006 0.000 1.083 656 V CB -0.746 31.033 31.823 -0.074 0.000 0.692 656 V HN 0.507 nan 8.190 nan 0.000 0.468 657 L N -0.425 120.828 121.223 0.051 0.000 2.027 657 L HA -0.129 4.213 4.340 0.002 0.000 0.206 657 L C 2.455 179.378 176.870 0.088 0.000 1.074 657 L CA 1.549 56.444 54.840 0.092 0.000 0.745 657 L CB -0.111 42.011 42.059 0.104 0.000 0.898 657 L HN 0.186 nan 8.230 nan 0.000 0.433 658 V N 0.174 120.133 119.914 0.075 0.000 2.295 658 V HA -0.339 3.782 4.120 0.002 0.000 0.246 658 V C 2.491 178.563 176.094 -0.036 0.000 1.049 658 V CA 1.968 64.299 62.300 0.051 0.000 1.024 658 V CB -0.496 31.369 31.823 0.070 0.000 0.648 658 V HN 0.433 nan 8.190 nan 0.000 0.447 659 K N -0.758 119.580 120.400 -0.103 0.000 2.127 659 K HA -0.219 4.102 4.320 0.002 0.000 0.208 659 K C 1.365 177.720 176.600 -0.409 0.000 1.047 659 K CA 1.972 58.089 56.287 -0.283 0.000 0.927 659 K CB -0.148 32.110 32.500 -0.403 0.000 0.716 659 K HN 0.671 nan 8.250 nan 0.000 0.450 660 H N -1.785 117.270 119.070 -0.024 0.000 2.469 660 H HA 0.193 4.751 4.556 0.002 0.000 0.286 660 H C 0.896 176.203 175.328 -0.034 0.000 1.106 660 H CA -0.269 55.756 56.048 -0.039 0.000 1.055 660 H CB 0.702 30.435 29.762 -0.049 0.000 1.618 660 H HN 0.041 nan 8.280 nan 0.000 0.559 661 R N 0.634 121.151 120.500 0.029 0.000 2.200 661 R HA -0.049 4.293 4.340 0.002 0.000 0.208 661 R C -0.004 176.290 176.300 -0.010 0.000 1.033 661 R CA 0.178 56.281 56.100 0.005 0.000 1.000 661 R CB 0.166 30.449 30.300 -0.029 0.000 0.906 661 R HN 0.202 nan 8.270 nan 0.000 0.462 662 D N -0.156 120.236 120.400 -0.014 0.000 2.493 662 D HA 0.015 4.656 4.640 0.002 0.000 0.240 662 D C 0.698 176.990 176.300 -0.014 0.000 1.142 662 D CA 1.844 55.833 54.000 -0.019 0.000 0.872 662 D CB 0.667 41.453 40.800 -0.024 0.000 1.173 662 D HN 0.422 nan 8.370 nan 0.000 0.467 663 G N 2.711 111.502 108.800 -0.015 0.000 2.179 663 G HA2 -0.219 3.742 3.960 0.002 0.000 0.260 663 G HA3 -0.219 3.742 3.960 0.002 0.000 0.260 663 G C 0.145 175.046 174.900 0.002 0.000 0.977 663 G CA 0.384 45.477 45.100 -0.012 0.000 0.641 663 G HN 0.512 nan 8.290 nan 0.000 0.533 664 L N 0.647 121.874 121.223 0.007 0.000 2.341 664 L HA 0.630 4.972 4.340 0.002 0.000 0.278 664 L C 0.514 177.402 176.870 0.031 0.000 1.005 664 L CA -1.068 53.788 54.840 0.027 0.000 0.818 664 L CB 1.765 43.839 42.059 0.026 0.000 1.259 664 L HN -0.029 nan 8.230 nan 0.000 0.418 665 L N 3.949 125.223 121.223 0.085 0.000 2.290 665 L HA 0.438 4.779 4.340 0.002 0.000 0.284 665 L C -0.317 176.652 176.870 0.165 0.000 1.078 665 L CA -0.664 54.264 54.840 0.147 0.000 0.815 665 L CB 1.471 43.674 42.059 0.240 0.000 1.162 665 L HN 0.297 nan 8.230 nan 0.000 0.435 666 V N 2.246 122.167 119.914 0.013 0.000 2.435 666 V HA 0.648 4.769 4.120 0.002 0.000 0.290 666 V C 0.584 176.492 176.094 -0.312 0.000 1.030 666 V CA -0.469 61.772 62.300 -0.097 0.000 0.881 666 V CB 1.479 33.155 31.823 -0.245 0.000 0.983 666 V HN 0.883 nan 8.190 nan 0.000 0.445 667 G N 1.963 110.473 108.800 -0.483 0.000 2.448 667 G HA2 0.513 4.474 3.960 0.002 0.000 0.324 667 G HA3 0.513 4.474 3.960 0.002 0.000 0.324 667 G C 0.649 175.326 174.900 -0.372 0.000 1.203 667 G CA 0.230 44.743 45.100 -0.978 0.000 0.954 667 G HN 0.770 nan 8.290 nan 0.000 0.480 668 S N 1.037 116.302 115.700 -0.725 0.000 2.325 668 S HA 0.415 4.886 4.470 0.002 0.000 0.214 668 S C 1.791 176.256 174.600 -0.226 0.000 1.031 668 S CA 1.380 59.063 58.200 -0.862 0.000 0.972 668 S CB -0.825 61.755 63.200 -1.035 0.000 0.908 668 S HN 2.392 nan 8.310 nan 0.000 0.453 669 G N 1.201 109.919 108.800 -0.135 0.000 2.603 669 G HA2 -0.283 3.679 3.960 0.002 0.000 0.245 669 G HA3 -0.283 3.679 3.960 0.002 0.000 0.245 669 G C 0.531 175.402 174.900 -0.048 0.000 1.195 669 G CA -0.342 44.778 45.100 0.033 0.000 0.953 669 G HN 0.974 nan 8.290 nan 0.000 0.566 670 C N 1.471 120.842 119.300 0.119 0.000 2.958 670 C HA 0.263 4.725 4.460 0.002 0.000 0.335 670 C C 2.450 177.385 174.990 -0.091 0.000 1.305 670 C CA 2.309 61.373 59.018 0.076 0.000 1.713 670 C CB -0.542 27.331 27.740 0.221 0.000 2.254 670 C HN 1.055 nan 8.230 nan 0.000 0.678 671 D N -0.788 119.538 120.400 -0.123 0.000 2.354 671 D HA 0.003 4.644 4.640 0.002 0.000 0.209 671 D C 1.195 177.482 176.300 -0.021 0.000 1.015 671 D CA 0.750 54.645 54.000 -0.175 0.000 0.867 671 D CB -0.187 40.528 40.800 -0.142 0.000 0.933 671 D HN 0.506 nan 8.370 nan 0.000 0.520 672 K N 0.392 120.741 120.400 -0.086 0.000 2.476 672 K HA 0.248 4.569 4.320 0.002 0.000 0.196 672 K C 1.019 177.614 176.600 -0.007 0.000 1.025 672 K CA -0.138 56.038 56.287 -0.184 0.000 1.138 672 K CB 0.639 32.711 32.500 -0.713 0.000 0.860 672 K HN 0.212 nan 8.250 nan 0.000 0.515 673 G N 0.628 109.483 108.800 0.092 0.000 2.667 673 G HA2 -0.103 3.859 3.960 0.002 0.000 0.250 673 G HA3 -0.103 3.859 3.960 0.002 0.000 0.250 673 G C 0.360 175.326 174.900 0.109 0.000 1.212 673 G CA -0.335 44.862 45.100 0.162 0.000 0.874 673 G HN 0.263 nan 8.290 nan 0.000 0.561 674 E N -0.347 119.858 120.200 0.008 0.000 2.051 674 E HA -0.102 4.249 4.350 0.002 0.000 0.189 674 E C 2.430 178.942 176.600 -0.147 0.000 0.979 674 E CA 0.878 57.098 56.400 -0.300 0.000 0.803 674 E CB -0.084 29.205 29.700 -0.684 0.000 0.761 674 E HN 0.516 nan 8.360 nan 0.000 0.451 675 L N -1.292 119.885 121.223 -0.076 0.000 2.127 675 L HA 0.093 4.434 4.340 0.002 0.000 0.203 675 L C 2.359 179.216 176.870 -0.021 0.000 1.080 675 L CA 0.765 55.573 54.840 -0.055 0.000 0.768 675 L CB -0.755 41.270 42.059 -0.056 0.000 0.924 675 L HN 0.035 nan 8.230 nan 0.000 0.444 676 F N 2.284 122.183 119.950 -0.086 0.000 2.236 676 F HA -0.250 4.278 4.527 0.002 0.000 0.302 676 F C 1.438 177.201 175.800 -0.062 0.000 1.073 676 F CA 1.776 59.736 58.000 -0.068 0.000 1.336 676 F CB -0.347 38.636 39.000 -0.030 0.000 1.040 676 F HN 0.260 nan 8.300 nan 0.000 0.507 677 D N 0.272 120.750 120.400 0.129 0.000 2.332 677 D HA 0.012 4.654 4.640 0.002 0.000 0.244 677 D C -0.287 175.991 176.300 -0.036 0.000 1.136 677 D CA 0.219 54.260 54.000 0.069 0.000 0.884 677 D CB -0.268 40.571 40.800 0.065 0.000 0.906 677 D HN 0.278 nan 8.370 nan 0.000 0.520 688 E N 0.078 120.280 120.200 0.002 0.000 2.340 688 E HA 0.032 4.383 4.350 0.002 0.000 0.198 688 E C 1.300 177.923 176.600 0.038 0.000 0.961 688 E CA 0.719 57.131 56.400 0.020 0.000 0.905 688 E CB 0.213 29.921 29.700 0.014 0.000 0.884 688 E HN 0.653 nan 8.360 nan 0.000 0.491 689 D N 1.650 122.064 120.400 0.023 0.000 2.087 689 D HA -0.158 4.484 4.640 0.002 0.000 0.192 689 D C 2.002 178.331 176.300 0.047 0.000 0.993 689 D CA 0.958 54.973 54.000 0.025 0.000 0.828 689 D CB -0.252 40.547 40.800 -0.001 0.000 0.968 689 D HN 0.100 nan 8.370 nan 0.000 0.448 690 I N 1.222 121.810 120.570 0.031 0.000 2.143 690 I HA -0.368 3.804 4.170 0.002 0.000 0.245 690 I C 2.406 178.660 176.117 0.228 0.000 1.068 690 I CA 1.680 63.018 61.300 0.064 0.000 1.326 690 I CB -0.141 37.873 38.000 0.023 0.000 1.028 690 I HN -0.034 nan 8.210 nan 0.000 0.412 691 A N 0.017 122.959 122.820 0.203 0.000 1.929 691 A HA -0.129 4.192 4.320 0.002 0.000 0.216 691 A C 2.267 180.029 177.584 0.297 0.000 1.176 691 A CA 0.992 53.202 52.037 0.289 0.000 0.628 691 A CB -0.470 18.610 19.000 0.133 0.000 0.816 691 A HN 0.306 nan 8.150 nan 0.000 0.444 692 R N -1.662 118.943 120.500 0.175 0.000 2.377 692 R HA -0.092 4.249 4.340 0.002 0.000 0.207 692 R C 1.399 177.770 176.300 0.119 0.000 1.075 692 R CA 0.921 57.095 56.100 0.123 0.000 1.035 692 R CB -0.402 29.946 30.300 0.079 0.000 0.857 692 R HN 0.628 nan 8.270 nan 0.000 0.475 693 F N -0.019 119.898 119.950 -0.055 0.000 2.558 693 F HA 0.013 4.541 4.527 0.002 0.000 0.298 693 F C -0.055 175.533 175.800 -0.354 0.000 1.119 693 F CA 0.236 58.083 58.000 -0.256 0.000 1.451 693 F CB 0.216 38.960 39.000 -0.426 0.000 1.091 693 F HN -0.195 nan 8.300 nan 0.000 0.563 694 Y N 0.836 121.075 120.300 -0.102 0.000 2.361 694 Y HA 0.215 4.767 4.550 0.002 0.000 0.332 694 Y C 1.359 177.172 175.900 -0.145 0.000 1.101 694 Y CA -0.861 57.114 58.100 -0.208 0.000 1.137 694 Y CB 0.708 39.088 38.460 -0.132 0.000 1.207 694 Y HN -0.061 nan 8.280 nan 0.000 0.463 695 D N 2.073 122.474 120.400 0.002 0.000 2.323 695 D HA -0.008 4.634 4.640 0.002 0.000 0.209 695 D C -0.334 176.119 176.300 0.255 0.000 0.973 695 D CA 1.005 55.066 54.000 0.102 0.000 0.874 695 D CB 0.275 41.152 40.800 0.127 0.000 0.930 695 D HN 0.366 nan 8.370 nan 0.000 0.521 696 F N -0.701 119.301 119.950 0.087 0.000 2.631 696 F HA 0.541 5.069 4.527 0.002 0.000 0.308 696 F C -1.731 174.093 175.800 0.040 0.000 1.097 696 F CA -1.544 56.489 58.000 0.055 0.000 0.952 696 F CB 0.900 39.918 39.000 0.031 0.000 1.307 696 F HN -0.424 nan 8.300 nan 0.000 0.450 697 L N 2.792 124.114 121.223 0.164 0.000 2.287 697 L HA 0.456 4.797 4.340 0.002 0.000 0.287 697 L C -0.238 176.694 176.870 0.102 0.000 1.022 697 L CA -0.617 54.239 54.840 0.027 0.000 0.814 697 L CB 1.364 43.441 42.059 0.029 0.000 1.217 697 L HN 0.712 nan 8.230 nan 0.000 0.420 698 E N 2.008 122.231 120.200 0.037 0.000 2.231 698 E HA 0.624 4.975 4.350 0.002 0.000 0.277 698 E C -1.204 175.423 176.600 0.045 0.000 0.999 698 E CA -0.549 55.899 56.400 0.080 0.000 0.827 698 E CB 2.609 32.350 29.700 0.068 0.000 1.101 698 E HN 0.243 nan 8.360 nan 0.000 0.393 699 V N 3.046 123.003 119.914 0.071 0.000 2.733 699 V HA 0.205 4.327 4.120 0.002 0.000 0.306 699 V C -1.201 175.072 176.094 0.297 0.000 1.084 699 V CA -0.531 61.895 62.300 0.210 0.000 0.905 699 V CB 1.937 33.923 31.823 0.271 0.000 1.010 699 V HN 0.720 nan 8.190 nan 0.000 0.424 700 H N 4.927 124.235 119.070 0.397 0.000 2.525 700 H HA 0.439 4.997 4.556 0.002 0.000 0.340 700 H C -2.385 173.151 175.328 0.347 0.000 1.168 700 H CA -2.299 53.845 56.048 0.160 0.000 1.247 700 H CB 1.941 31.445 29.762 -0.431 0.000 1.568 700 H HN 0.401 nan 8.280 nan 0.000 0.536 701 P HA -0.119 nan 4.420 nan 0.000 0.265 701 P C -1.899 175.403 177.300 0.003 0.000 1.187 701 P CA -0.829 62.229 63.100 -0.071 0.000 0.766 701 P CB 0.319 31.963 31.700 -0.094 0.000 0.820 702 P HA -0.267 nan 4.420 nan 0.000 0.216 702 P C 0.999 178.352 177.300 0.089 0.000 1.157 702 P CA 1.651 64.814 63.100 0.105 0.000 0.880 702 P CB -0.072 31.595 31.700 -0.055 0.000 0.791 703 D N -0.379 120.015 120.400 -0.010 0.000 2.154 703 D HA -0.142 4.499 4.640 0.002 0.000 0.190 703 D C 2.101 178.380 176.300 -0.036 0.000 1.003 703 D CA 1.093 55.084 54.000 -0.015 0.000 0.849 703 D CB -1.077 39.707 40.800 -0.026 0.000 0.942 703 D HN -0.058 nan 8.370 nan 0.000 0.446 704 V N 0.252 120.090 119.914 -0.126 0.000 2.439 704 V HA -0.277 3.845 4.120 0.002 0.000 0.253 704 V C 1.756 177.686 176.094 -0.274 0.000 1.074 704 V CA 1.571 63.712 62.300 -0.265 0.000 1.076 704 V CB -0.716 30.841 31.823 -0.443 0.000 0.664 704 V HN 0.324 nan 8.190 nan 0.000 0.461 705 Y N 0.279 120.555 120.300 -0.040 0.000 2.529 705 Y HA 0.105 4.656 4.550 0.002 0.000 0.290 705 Y C 2.223 178.111 175.900 -0.019 0.000 1.177 705 Y CA 0.628 58.703 58.100 -0.043 0.000 1.305 705 Y CB -0.885 37.565 38.460 -0.016 0.000 1.047 705 Y HN 0.272 nan 8.280 nan 0.000 0.522 706 K N 0.703 121.156 120.400 0.089 0.000 2.242 706 K HA -0.146 4.175 4.320 0.002 0.000 0.206 706 K C -1.232 175.394 176.600 0.045 0.000 1.045 706 K CA 0.980 57.300 56.287 0.057 0.000 0.930 706 K CB -2.587 29.929 32.500 0.026 0.000 0.726 706 K HN 0.244 nan 8.250 nan 0.000 0.462 707 P HA 0.385 nan 4.420 nan 0.000 0.257 707 P C -0.310 177.020 177.300 0.051 0.000 1.227 707 P CA 0.919 64.038 63.100 0.031 0.000 0.981 707 P CB -0.491 31.218 31.700 0.014 0.000 1.044 714 V N 0.450 120.379 119.914 0.026 0.000 3.126 714 V HA 0.892 5.013 4.120 0.002 0.000 0.314 714 V C 0.777 176.872 176.094 0.002 0.000 1.138 714 V CA 0.079 62.386 62.300 0.011 0.000 1.034 714 V CB 1.163 32.998 31.823 0.021 0.000 1.075 714 V HN 1.019 nan 8.190 nan 0.000 0.442 715 K N 0.791 121.185 120.400 -0.010 0.000 2.005 715 K HA 0.331 4.652 4.320 0.002 0.000 0.206 715 K C 0.593 177.186 176.600 -0.011 0.000 1.044 715 K CA 2.164 58.444 56.287 -0.012 0.000 0.942 715 K CB -0.278 32.211 32.500 -0.019 0.000 0.727 715 K HN 1.378 nan 8.250 nan 0.000 0.439 716 D N -3.263 117.126 120.400 -0.017 0.000 2.768 716 D HA 0.056 4.698 4.640 0.002 0.000 0.327 716 D C 0.444 176.726 176.300 -0.030 0.000 1.302 716 D CA -0.227 53.761 54.000 -0.020 0.000 0.897 716 D CB 0.490 41.275 40.800 -0.025 0.000 1.420 716 D HN 0.108 nan 8.370 nan 0.000 0.494 717 E N -0.571 119.606 120.200 -0.039 0.000 2.209 717 E HA -0.244 4.108 4.350 0.002 0.000 0.196 717 E C 1.089 177.627 176.600 -0.103 0.000 0.993 717 E CA 1.218 57.581 56.400 -0.062 0.000 0.819 717 E CB 0.190 29.849 29.700 -0.068 0.000 0.745 717 E HN 0.406 nan 8.360 nan 0.000 0.477 718 E N 0.138 120.283 120.200 -0.091 0.000 2.285 718 E HA -0.103 4.248 4.350 0.002 0.000 0.194 718 E C 1.853 178.397 176.600 -0.093 0.000 0.997 718 E CA 0.624 56.960 56.400 -0.107 0.000 0.845 718 E CB -0.062 29.591 29.700 -0.077 0.000 0.782 718 E HN 0.313 nan 8.360 nan 0.000 0.491 719 M N -0.431 119.126 119.600 -0.072 0.000 2.123 719 M HA -0.076 4.406 4.480 0.002 0.000 0.263 719 M C 1.684 177.934 176.300 -0.083 0.000 1.069 719 M CA 1.376 56.634 55.300 -0.069 0.000 1.133 719 M CB -0.011 32.556 32.600 -0.054 0.000 1.356 719 M HN 0.141 nan 8.290 nan 0.000 0.415 720 I N 0.184 120.711 120.570 -0.072 0.000 2.142 720 I HA -0.324 3.848 4.170 0.002 0.000 0.240 720 I C 2.308 178.379 176.117 -0.076 0.000 1.078 720 I CA 1.407 62.666 61.300 -0.068 0.000 1.343 720 I CB -0.658 37.333 38.000 -0.015 0.000 1.046 720 I HN 0.259 nan 8.210 nan 0.000 0.405 721 K N 0.772 121.087 120.400 -0.142 0.000 2.089 721 K HA -0.224 4.097 4.320 0.002 0.000 0.210 721 K C 1.891 178.462 176.600 -0.049 0.000 1.048 721 K CA 1.851 57.983 56.287 -0.259 0.000 0.926 721 K CB -0.184 31.954 32.500 -0.604 0.000 0.714 721 K HN 0.320 nan 8.250 nan 0.000 0.448 722 N N 0.384 119.051 118.700 -0.056 0.000 2.300 722 N HA -0.045 4.696 4.740 0.002 0.000 0.179 722 N C 1.769 177.261 175.510 -0.029 0.000 1.016 722 N CA 0.861 53.905 53.050 -0.010 0.000 0.876 722 N CB -0.029 38.435 38.487 -0.037 0.000 0.979 722 N HN 0.174 nan 8.380 nan 0.000 0.432 723 I N 1.366 121.879 120.570 -0.094 0.000 2.163 723 I HA -0.204 3.967 4.170 0.002 0.000 0.240 723 I C 2.076 178.123 176.117 -0.116 0.000 1.081 723 I CA 0.781 61.960 61.300 -0.202 0.000 1.353 723 I CB -0.240 37.511 38.000 -0.415 0.000 1.054 723 I HN 0.004 nan 8.210 nan 0.000 0.407 724 I N 0.325 120.905 120.570 0.018 0.000 2.182 724 I HA -0.413 3.758 4.170 0.002 0.000 0.248 724 I C 2.661 178.875 176.117 0.161 0.000 1.073 724 I CA 1.680 63.093 61.300 0.187 0.000 1.335 724 I CB -0.578 37.646 38.000 0.374 0.000 1.031 724 I HN 0.268 nan 8.210 nan 0.000 0.420 725 R N 0.243 120.836 120.500 0.154 0.000 2.189 725 R HA -0.066 4.276 4.340 0.002 0.000 0.218 725 R C 2.434 178.762 176.300 0.046 0.000 1.074 725 R CA 1.129 57.306 56.100 0.128 0.000 0.991 725 R CB 0.082 30.480 30.300 0.165 0.000 0.883 725 R HN 0.355 nan 8.270 nan 0.000 0.457 726 S N 0.762 116.461 115.700 -0.002 0.000 2.357 726 S HA -0.090 4.381 4.470 0.002 0.000 0.221 726 S C 1.859 176.445 174.600 -0.023 0.000 1.031 726 S CA 0.885 59.065 58.200 -0.033 0.000 0.982 726 S CB -0.122 63.025 63.200 -0.088 0.000 0.853 726 S HN 0.232 nan 8.310 nan 0.000 0.458 727 I N 1.503 122.060 120.570 -0.021 0.000 2.286 727 I HA -0.148 4.023 4.170 0.002 0.000 0.248 727 I C 2.180 178.309 176.117 0.020 0.000 1.115 727 I CA 0.792 62.092 61.300 0.001 0.000 1.392 727 I CB -0.382 37.637 38.000 0.031 0.000 1.065 727 I HN 0.128 nan 8.210 nan 0.000 0.418 728 V N 0.954 120.889 119.914 0.035 0.000 2.332 728 V HA -0.338 3.784 4.120 0.002 0.000 0.248 728 V C 2.679 178.779 176.094 0.011 0.000 1.055 728 V CA 2.066 64.379 62.300 0.022 0.000 1.038 728 V CB -1.030 30.808 31.823 0.026 0.000 0.651 728 V HN 0.521 nan 8.190 nan 0.000 0.450 729 A N -0.552 122.275 122.820 0.010 0.000 1.902 729 A HA -0.173 4.148 4.320 0.002 0.000 0.217 729 A C 2.134 179.720 177.584 0.003 0.000 1.181 729 A CA 1.930 53.969 52.037 0.004 0.000 0.623 729 A CB -0.506 18.495 19.000 0.001 0.000 0.818 729 A HN 0.431 nan 8.150 nan 0.000 0.443 730 L N -0.220 121.004 121.223 0.002 0.000 2.109 730 L HA 0.084 4.426 4.340 0.002 0.000 0.207 730 L C 2.399 179.277 176.870 0.014 0.000 1.086 730 L CA 1.922 56.764 54.840 0.003 0.000 0.760 730 L CB -0.971 41.085 42.059 -0.005 0.000 0.910 730 L HN 0.317 nan 8.230 nan 0.000 0.437 731 G N -1.520 107.290 108.800 0.017 0.000 2.403 731 G HA2 -0.251 3.710 3.960 0.002 0.000 0.216 731 G HA3 -0.251 3.710 3.960 0.002 0.000 0.216 731 G C 1.517 176.429 174.900 0.020 0.000 1.154 731 G CA 0.633 45.748 45.100 0.026 0.000 0.784 731 G HN 0.459 nan 8.290 nan 0.000 0.538 732 E N 0.022 120.228 120.200 0.011 0.000 2.072 732 E HA -0.105 4.246 4.350 0.002 0.000 0.191 732 E C 2.383 178.988 176.600 0.007 0.000 0.985 732 E CA 0.810 57.214 56.400 0.006 0.000 0.801 732 E CB -0.021 29.679 29.700 0.000 0.000 0.750 732 E HN 0.190 nan 8.360 nan 0.000 0.452 733 K N 0.516 120.921 120.400 0.008 0.000 2.097 733 K HA -0.098 4.223 4.320 0.002 0.000 0.205 733 K C 1.625 178.232 176.600 0.012 0.000 1.050 733 K CA 0.914 57.205 56.287 0.007 0.000 0.938 733 K CB 0.002 32.506 32.500 0.005 0.000 0.718 733 K HN 0.251 nan 8.250 nan 0.000 0.442 734 L N 0.571 121.804 121.223 0.018 0.000 2.628 734 L HA 0.062 4.403 4.340 0.002 0.000 0.229 734 L C -0.157 176.727 176.870 0.025 0.000 1.137 734 L CA -0.096 54.758 54.840 0.023 0.000 0.909 734 L CB -0.133 41.946 42.059 0.033 0.000 1.137 734 L HN 0.146 nan 8.230 nan 0.000 0.470 735 D N 1.471 121.883 120.400 0.020 0.000 2.689 735 D HA -0.217 4.425 4.640 0.002 0.000 0.237 735 D C -0.381 175.937 176.300 0.031 0.000 1.148 735 D CA 0.671 54.683 54.000 0.020 0.000 0.656 735 D CB -0.727 40.082 40.800 0.016 0.000 1.050 735 D HN 0.264 nan 8.370 nan 0.000 0.426 736 I N 0.203 120.797 120.570 0.039 0.000 2.406 736 I HA 0.363 4.534 4.170 0.002 0.000 0.290 736 I C -2.011 174.143 176.117 0.062 0.000 0.999 736 I CA -2.240 59.096 61.300 0.060 0.000 1.124 736 I CB 1.934 39.979 38.000 0.074 0.000 1.289 736 I HN -0.144 nan 8.210 nan 0.000 0.441 737 P HA 0.067 nan 4.420 nan 0.000 0.267 737 P C -0.532 176.822 177.300 0.089 0.000 1.209 737 P CA -0.065 63.071 63.100 0.062 0.000 0.763 737 P CB 0.537 32.271 31.700 0.057 0.000 0.816 738 V N 5.397 125.337 119.914 0.043 0.000 2.406 738 V HA 0.254 4.376 4.120 0.002 0.000 0.272 738 V C 0.477 176.573 176.094 0.004 0.000 1.043 738 V CA -0.390 61.934 62.300 0.040 0.000 0.915 738 V CB 1.367 33.193 31.823 0.006 0.000 0.988 738 V HN 0.363 nan 8.190 nan 0.000 0.466 739 V N 2.747 122.688 119.914 0.044 0.000 2.555 739 V HA 0.887 5.008 4.120 0.002 0.000 0.302 739 V C 0.288 176.359 176.094 -0.040 0.000 1.038 739 V CA -1.053 61.237 62.300 -0.017 0.000 0.887 739 V CB 1.559 33.376 31.823 -0.011 0.000 0.991 739 V HN 0.906 nan 8.190 nan 0.000 0.434 740 A N 3.767 126.485 122.820 -0.169 0.000 2.457 740 A HA 0.617 4.939 4.320 0.002 0.000 0.298 740 A C 0.716 178.315 177.584 0.025 0.000 1.288 740 A CA 0.414 52.325 52.037 -0.209 0.000 0.956 740 A CB -0.743 17.904 19.000 -0.589 0.000 1.135 740 A HN 1.460 nan 8.150 nan 0.000 0.535 741 T N -0.487 114.172 114.554 0.177 0.000 2.925 741 T HA 0.598 4.950 4.350 0.002 0.000 0.285 741 T C 0.971 175.819 174.700 0.246 0.000 1.021 741 T CA 0.023 62.262 62.100 0.232 0.000 1.042 741 T CB 1.806 70.868 68.868 0.324 0.000 1.037 741 T HN 0.569 nan 8.240 nan 0.000 0.481 742 G N 0.745 109.598 108.800 0.088 0.000 2.796 742 G HA2 0.092 4.054 3.960 0.002 0.000 0.210 742 G HA3 0.092 4.054 3.960 0.002 0.000 0.210 742 G C 0.749 175.438 174.900 -0.350 0.000 1.146 742 G CA 0.052 45.101 45.100 -0.085 0.000 0.779 742 G HN 1.000 nan 8.290 nan 0.000 0.535 743 N N -0.227 118.238 118.700 -0.392 0.000 2.740 743 N HA -0.172 4.569 4.740 0.002 0.000 0.248 743 N C 0.171 175.602 175.510 -0.131 0.000 1.062 743 N CA 0.500 53.260 53.050 -0.484 0.000 0.704 743 N CB -1.642 36.297 38.487 -0.913 0.000 0.968 743 N HN 0.103 nan 8.380 nan 0.000 0.547 744 V N 0.945 120.785 119.914 -0.123 0.000 2.673 744 V HA -0.045 4.077 4.120 0.002 0.000 0.303 744 V C 1.389 177.390 176.094 -0.155 0.000 1.046 744 V CA 0.659 62.864 62.300 -0.158 0.000 1.126 744 V CB 0.876 32.551 31.823 -0.247 0.000 0.934 744 V HN 0.444 nan 8.190 nan 0.000 0.487 745 H N 2.594 121.469 119.070 -0.325 0.000 3.233 745 H HA 0.382 4.940 4.556 0.002 0.000 0.263 745 H C -0.657 174.653 175.328 -0.031 0.000 1.168 745 H CA -0.064 55.880 56.048 -0.174 0.000 1.159 745 H CB 0.572 30.228 29.762 -0.177 0.000 1.593 745 H HN 0.755 nan 8.280 nan 0.000 0.580 746 Y N -3.933 116.467 120.300 0.166 0.000 2.741 746 Y HA 0.169 4.721 4.550 0.003 0.000 0.339 746 Y C 0.053 176.056 175.900 0.171 0.000 1.226 746 Y CA -1.136 57.045 58.100 0.135 0.000 1.072 746 Y CB 0.403 38.950 38.460 0.145 0.000 1.331 746 Y HN -0.155 nan 8.280 nan 0.000 0.453 747 L N 0.841 122.259 121.223 0.325 0.000 1.937 747 L HA -0.036 4.305 4.340 0.002 0.000 0.213 747 L C 0.056 177.165 176.870 0.398 0.000 1.077 747 L CA 1.733 56.752 54.840 0.297 0.000 0.758 747 L CB -0.276 41.866 42.059 0.139 0.000 0.888 747 L HN 0.785 nan 8.230 nan 0.000 0.433 748 N N -1.226 117.654 118.700 0.300 0.000 2.430 748 N HA 0.219 4.961 4.740 0.002 0.000 0.298 748 N C -1.923 173.668 175.510 0.135 0.000 1.130 748 N CA -1.550 51.597 53.050 0.163 0.000 0.894 748 N CB 1.216 39.699 38.487 -0.006 0.000 1.209 748 N HN -0.117 nan 8.380 nan 0.000 0.503 749 P HA -0.177 nan 4.420 nan 0.000 0.218 749 P C 0.385 177.634 177.300 -0.085 0.000 1.154 749 P CA 1.783 64.732 63.100 -0.253 0.000 0.872 749 P CB 0.355 31.752 31.700 -0.506 0.000 0.790 750 E N -1.170 118.948 120.200 -0.137 0.000 2.358 750 E HA -0.093 4.259 4.350 0.002 0.000 0.195 750 E C 1.381 177.804 176.600 -0.294 0.000 1.010 750 E CA 0.619 56.914 56.400 -0.174 0.000 0.856 750 E CB -0.929 28.703 29.700 -0.113 0.000 0.795 750 E HN 0.295 nan 8.360 nan 0.000 0.504 751 D N 1.232 121.474 120.400 -0.262 0.000 2.351 751 D HA -0.153 4.488 4.640 0.002 0.000 0.216 751 D C 1.516 177.418 176.300 -0.664 0.000 0.968 751 D CA 0.613 54.461 54.000 -0.254 0.000 0.899 751 D CB -0.038 40.761 40.800 -0.002 0.000 0.907 751 D HN 0.228 nan 8.370 nan 0.000 0.514 752 K N 0.798 120.665 120.400 -0.889 0.000 2.089 752 K HA -0.225 4.097 4.320 0.002 0.000 0.210 752 K C 2.098 178.377 176.600 -0.534 0.000 1.048 752 K CA 0.937 56.684 56.287 -0.899 0.000 0.926 752 K CB -0.243 32.035 32.500 -0.370 0.000 0.714 752 K HN 0.044 nan 8.250 nan 0.000 0.448 753 I N 0.899 121.158 120.570 -0.517 0.000 2.248 753 I HA -0.307 3.864 4.170 0.002 0.000 0.248 753 I C 1.462 177.280 176.117 -0.498 0.000 1.107 753 I CA 1.576 62.573 61.300 -0.504 0.000 1.373 753 I CB -0.226 37.444 38.000 -0.550 0.000 1.055 753 I HN 0.232 nan 8.210 nan 0.000 0.418 754 Y N 0.356 120.485 120.300 -0.285 0.000 2.181 754 Y HA -0.209 4.342 4.550 0.002 0.000 0.288 754 Y C 2.777 178.560 175.900 -0.196 0.000 1.146 754 Y CA 1.874 59.837 58.100 -0.228 0.000 1.164 754 Y CB -1.009 37.346 38.460 -0.175 0.000 0.982 754 Y HN 0.164 nan 8.280 nan 0.000 0.515 755 R N 1.096 121.570 120.500 -0.044 0.000 2.096 755 R HA -0.174 4.168 4.340 0.002 0.000 0.235 755 R C 2.301 178.559 176.300 -0.071 0.000 1.127 755 R CA 1.718 57.809 56.100 -0.015 0.000 0.968 755 R CB -0.220 30.107 30.300 0.045 0.000 0.861 755 R HN 0.261 nan 8.270 nan 0.000 0.440 756 K N 0.462 120.774 120.400 -0.147 0.000 2.063 756 K HA -0.141 4.180 4.320 0.002 0.000 0.208 756 K C 1.988 178.475 176.600 -0.188 0.000 1.048 756 K CA 1.825 58.032 56.287 -0.133 0.000 0.928 756 K CB -0.118 32.283 32.500 -0.165 0.000 0.713 756 K HN 0.249 nan 8.250 nan 0.000 0.442 757 I N 1.081 121.416 120.570 -0.392 0.000 2.226 757 I HA -0.316 3.855 4.170 0.002 0.000 0.245 757 I C 2.269 178.292 176.117 -0.158 0.000 1.100 757 I CA 1.114 62.153 61.300 -0.436 0.000 1.374 757 I CB -0.226 37.505 38.000 -0.448 0.000 1.057 757 I HN 0.203 nan 8.210 nan 0.000 0.413 758 L N 0.343 121.497 121.223 -0.115 0.000 2.017 758 L HA -0.223 4.118 4.340 0.002 0.000 0.208 758 L C 2.546 179.320 176.870 -0.159 0.000 1.073 758 L CA 1.554 56.305 54.840 -0.149 0.000 0.745 758 L CB -0.395 41.650 42.059 -0.024 0.000 0.894 758 L HN 0.192 nan 8.230 nan 0.000 0.432 759 I N -0.829 119.704 120.570 -0.062 0.000 2.264 759 I HA -0.359 3.813 4.170 0.002 0.000 0.248 759 I C 2.534 178.637 176.117 -0.024 0.000 1.111 759 I CA 1.433 62.712 61.300 -0.036 0.000 1.382 759 I CB -0.375 37.622 38.000 -0.004 0.000 1.060 759 I HN 0.345 nan 8.210 nan 0.000 0.418 760 H N 0.737 119.778 119.070 -0.048 0.000 2.456 760 H HA -0.153 4.404 4.556 0.002 0.000 0.296 760 H C 2.314 177.616 175.328 -0.042 0.000 1.079 760 H CA 1.564 57.629 56.048 0.029 0.000 1.322 760 H CB 0.065 29.960 29.762 0.221 0.000 1.388 760 H HN 0.343 nan 8.280 nan 0.000 0.538 761 S N -0.608 115.013 115.700 -0.131 0.000 2.547 761 S HA -0.120 4.351 4.470 0.002 0.000 0.235 761 S C 1.498 175.960 174.600 -0.229 0.000 0.980 761 S CA 0.896 58.927 58.200 -0.281 0.000 0.941 761 S CB -0.041 62.605 63.200 -0.924 0.000 0.763 761 S HN 0.653 nan 8.310 nan 0.000 0.532 762 Q N 0.774 120.459 119.800 -0.192 0.000 2.247 762 Q HA 0.381 4.723 4.340 0.002 0.000 0.204 762 Q C 1.201 177.138 176.000 -0.106 0.000 0.872 762 Q CA 0.032 55.766 55.803 -0.115 0.000 0.951 762 Q CB 0.545 29.238 28.738 -0.075 0.000 1.099 762 Q HN 0.688 nan 8.270 nan 0.000 0.501 763 G N 0.585 109.280 108.800 -0.174 0.000 2.598 763 G HA2 -0.352 3.609 3.960 0.002 0.000 0.269 763 G HA3 -0.352 3.609 3.960 0.002 0.000 0.269 763 G C 0.603 175.441 174.900 -0.103 0.000 1.289 763 G CA -0.397 44.611 45.100 -0.153 0.000 0.926 763 G HN 0.433 nan 8.290 nan 0.000 0.567 764 G N -0.268 108.490 108.800 -0.069 0.000 2.882 764 G HA2 0.415 4.377 3.960 0.002 0.000 0.206 764 G HA3 0.415 4.377 3.960 0.002 0.000 0.206 764 G C 1.629 176.514 174.900 -0.025 0.000 1.155 764 G CA 1.830 46.906 45.100 -0.041 0.000 0.800 764 G HN 1.769 nan 8.290 nan 0.000 0.524 765 A N 0.507 123.311 122.820 -0.026 0.000 2.067 765 A HA 0.060 4.381 4.320 0.002 0.000 0.217 765 A C 1.948 179.530 177.584 -0.003 0.000 1.156 765 A CA 1.354 53.386 52.037 -0.008 0.000 0.683 765 A CB -0.283 18.716 19.000 -0.002 0.000 0.808 765 A HN 0.467 nan 8.150 nan 0.000 0.455 766 N N -0.422 118.269 118.700 -0.015 0.000 2.333 766 N HA 0.018 4.759 4.740 0.002 0.000 0.178 766 N C -1.687 173.821 175.510 -0.002 0.000 1.018 766 N CA -0.043 53.002 53.050 -0.007 0.000 0.882 766 N CB -0.375 38.100 38.487 -0.019 0.000 0.984 766 N HN 0.052 nan 8.380 nan 0.000 0.434 767 P HA -0.183 nan 4.420 nan 0.000 0.015 767 P C -0.650 176.648 177.300 -0.004 0.000 0.556 767 P CA 0.576 63.673 63.100 -0.005 0.000 1.034 767 P CB -0.487 31.212 31.700 -0.001 0.000 1.906 768 L N -0.658 120.561 121.223 -0.007 0.000 2.878 768 L HA 0.183 4.524 4.340 0.002 0.000 0.253 768 L C 1.749 178.620 176.870 0.002 0.000 1.135 768 L CA 0.590 55.425 54.840 -0.009 0.000 0.943 768 L CB -0.179 41.868 42.059 -0.019 0.000 1.307 768 L HN -0.020 nan 8.230 nan 0.000 0.545 769 N N 0.600 119.303 118.700 0.006 0.000 2.609 769 N HA -0.127 4.614 4.740 0.002 0.000 0.190 769 N C 1.931 177.454 175.510 0.022 0.000 1.157 769 N CA 0.868 53.933 53.050 0.025 0.000 0.918 769 N CB -0.017 38.477 38.487 0.012 0.000 0.978 769 N HN 0.398 nan 8.380 nan 0.000 0.448 770 R N 0.486 120.992 120.500 0.010 0.000 2.237 770 R HA -0.006 4.335 4.340 0.002 0.000 0.219 770 R C 1.124 177.433 176.300 0.014 0.000 1.080 770 R CA 1.929 58.035 56.100 0.009 0.000 0.995 770 R CB -1.586 28.717 30.300 0.004 0.000 0.875 770 R HN 0.671 nan 8.270 nan 0.000 0.462 771 H N -1.993 117.088 119.070 0.017 0.000 3.024 771 H HA 0.610 5.167 4.556 0.002 0.000 0.324 771 H C -1.280 174.060 175.328 0.020 0.000 1.347 771 H CA -0.549 55.510 56.048 0.018 0.000 1.182 771 H CB 0.442 30.211 29.762 0.012 0.000 1.889 771 H HN 0.240 nan 8.280 nan 0.000 0.528 772 E N 1.028 121.242 120.200 0.022 0.000 2.481 772 E HA 0.072 4.424 4.350 0.002 0.000 0.263 772 E C 0.040 176.645 176.600 0.008 0.000 0.992 772 E CA -0.038 56.376 56.400 0.022 0.000 0.938 772 E CB 0.216 29.929 29.700 0.022 0.000 0.933 772 E HN 0.494 nan 8.360 nan 0.000 0.453 773 L N 5.191 126.418 121.223 0.007 0.000 2.349 773 L HA 0.240 4.581 4.340 0.002 0.000 0.275 773 L C -1.877 174.990 176.870 -0.004 0.000 1.115 773 L CA -1.935 52.898 54.840 -0.010 0.000 0.820 773 L CB 0.260 42.316 42.059 -0.006 0.000 1.135 773 L HN 0.236 nan 8.230 nan 0.000 0.445 774 P HA 0.049 nan 4.420 nan 0.000 0.272 774 P C -1.098 176.204 177.300 0.004 0.000 1.223 774 P CA -0.415 62.658 63.100 -0.045 0.000 0.784 774 P CB 0.453 32.079 31.700 -0.124 0.000 0.923 775 D N 1.166 121.586 120.400 0.033 0.000 2.344 775 D HA 0.114 4.756 4.640 0.002 0.000 0.253 775 D C 0.173 176.439 176.300 -0.056 0.000 1.255 775 D CA 0.252 54.334 54.000 0.136 0.000 0.894 775 D CB 0.332 41.269 40.800 0.229 0.000 1.067 775 D HN 0.102 nan 8.370 nan 0.000 0.492 776 V N 1.372 121.221 119.914 -0.107 0.000 2.572 776 V HA 0.282 4.403 4.120 0.002 0.000 0.274 776 V C -0.405 175.337 176.094 -0.586 0.000 1.075 776 V CA -0.956 61.115 62.300 -0.381 0.000 1.237 776 V CB -1.253 30.364 31.823 -0.344 0.000 1.517 776 V HN 0.246 nan 8.190 nan 0.000 0.616 777 Y N -0.871 119.293 120.300 -0.227 0.000 2.408 777 Y HA 0.672 5.223 4.550 0.002 0.000 0.324 777 Y C 0.039 176.029 175.900 0.151 0.000 1.302 777 Y CA -2.479 55.584 58.100 -0.062 0.000 1.384 777 Y CB 0.749 39.346 38.460 0.227 0.000 1.367 777 Y HN 0.241 nan 8.280 nan 0.000 0.525 778 F N 3.446 123.552 119.950 0.261 0.000 2.494 778 F HA 0.314 4.842 4.527 0.002 0.000 0.369 778 F C 0.103 176.155 175.800 0.419 0.000 1.098 778 F CA -0.512 57.655 58.000 0.277 0.000 1.154 778 F CB 0.221 39.402 39.000 0.301 0.000 1.103 778 F HN 0.537 nan 8.300 nan 0.000 0.549 779 R N 4.001 124.777 120.500 0.459 0.000 2.349 779 R HA 0.193 4.534 4.340 0.002 0.000 0.299 779 R C 0.344 176.569 176.300 -0.125 0.000 1.027 779 R CA -0.471 55.700 56.100 0.119 0.000 0.958 779 R CB 1.653 31.945 30.300 -0.014 0.000 1.047 779 R HN 0.561 nan 8.270 nan 0.000 0.468 780 T N 0.066 114.372 114.554 -0.413 0.000 2.748 780 T HA -0.061 4.290 4.350 0.002 0.000 0.304 780 T C 1.627 176.142 174.700 -0.308 0.000 1.041 780 T CA 0.265 61.931 62.100 -0.722 0.000 1.033 780 T CB 1.119 69.480 68.868 -0.845 0.000 0.995 780 T HN 0.707 nan 8.240 nan 0.000 0.536 781 T N 1.105 115.491 114.554 -0.280 0.000 2.809 781 T HA -0.101 4.250 4.350 0.002 0.000 0.260 781 T C 1.815 176.440 174.700 -0.124 0.000 1.039 781 T CA 1.934 63.926 62.100 -0.180 0.000 1.141 781 T CB -0.597 68.148 68.868 -0.205 0.000 0.869 781 T HN 0.782 nan 8.240 nan 0.000 0.437 782 N N 1.671 120.286 118.700 -0.141 0.000 2.149 782 N HA -0.181 4.560 4.740 0.002 0.000 0.188 782 N C 1.822 177.294 175.510 -0.063 0.000 1.019 782 N CA 1.770 54.764 53.050 -0.092 0.000 0.857 782 N CB -0.513 37.918 38.487 -0.094 0.000 0.997 782 N HN 0.776 nan 8.380 nan 0.000 0.426 783 E N -0.815 119.334 120.200 -0.086 0.000 2.371 783 E HA -0.104 4.248 4.350 0.002 0.000 0.194 783 E C 1.719 178.331 176.600 0.020 0.000 1.012 783 E CA 0.460 56.844 56.400 -0.028 0.000 0.860 783 E CB -0.133 29.556 29.700 -0.019 0.000 0.811 783 E HN 0.305 nan 8.360 nan 0.000 0.502 784 M N 1.270 120.884 119.600 0.023 0.000 2.236 784 M HA 0.073 4.554 4.480 0.002 0.000 0.266 784 M C 1.918 178.342 176.300 0.206 0.000 1.070 784 M CA 1.189 56.564 55.300 0.126 0.000 1.137 784 M CB -0.128 32.526 32.600 0.089 0.000 1.378 784 M HN 0.142 nan 8.290 nan 0.000 0.426 785 L N -0.469 120.811 121.223 0.096 0.000 1.989 785 L HA -0.270 4.072 4.340 0.002 0.000 0.211 785 L C 1.975 178.907 176.870 0.103 0.000 1.071 785 L CA 1.386 56.280 54.840 0.091 0.000 0.749 785 L CB -1.306 40.765 42.059 0.021 0.000 0.890 785 L HN 0.218 nan 8.230 nan 0.000 0.431 786 D N -0.033 120.405 120.400 0.062 0.000 2.149 786 D HA -0.209 4.432 4.640 0.002 0.000 0.194 786 D C 2.217 178.553 176.300 0.060 0.000 1.001 786 D CA 1.680 55.711 54.000 0.052 0.000 0.849 786 D CB -0.577 40.242 40.800 0.031 0.000 0.939 786 D HN 0.428 nan 8.370 nan 0.000 0.449 787 C N -0.487 118.840 119.300 0.044 0.000 2.435 787 C HA -0.061 4.400 4.460 0.002 0.000 0.279 787 C C 2.057 176.955 174.990 -0.153 0.000 1.321 787 C CA 0.029 59.003 59.018 -0.075 0.000 1.752 787 C CB -1.260 26.380 27.740 -0.166 0.000 1.959 787 C HN 0.170 nan 8.230 nan 0.000 0.500 788 F N 1.534 121.536 119.950 0.087 0.000 2.661 788 F HA 0.086 4.614 4.527 0.002 0.000 0.306 788 F C 2.302 178.001 175.800 -0.167 0.000 1.094 788 F CA 0.462 58.440 58.000 -0.037 0.000 1.254 788 F CB -0.399 38.551 39.000 -0.083 0.000 1.040 788 F HN 0.189 nan 8.300 nan 0.000 0.562 789 S N 0.977 116.737 115.700 0.100 0.000 2.400 789 S HA -0.355 4.117 4.470 0.002 0.000 0.234 789 S C 2.077 176.699 174.600 0.036 0.000 1.049 789 S CA 1.916 60.154 58.200 0.062 0.000 1.039 789 S CB -1.511 61.743 63.200 0.090 0.000 0.856 789 S HN 0.545 nan 8.310 nan 0.000 0.465 790 F N 1.899 121.882 119.950 0.054 0.000 2.202 790 F HA 0.168 4.697 4.527 0.002 0.000 0.301 790 F C 1.661 177.496 175.800 0.059 0.000 1.082 790 F CA 0.628 58.654 58.000 0.043 0.000 1.313 790 F CB -0.766 38.249 39.000 0.025 0.000 1.024 790 F HN 0.144 nan 8.300 nan 0.000 0.495 791 L N 1.023 121.838 121.223 -0.680 0.000 2.610 791 L HA 0.319 4.661 4.340 0.002 0.000 0.232 791 L C 1.160 177.938 176.870 -0.154 0.000 1.149 791 L CA 0.348 54.948 54.840 -0.400 0.000 0.872 791 L CB -1.312 40.466 42.059 -0.468 0.000 0.992 791 L HN 0.555 nan 8.230 nan 0.000 0.447 792 G N -0.098 108.643 108.800 -0.098 0.000 2.758 792 G HA2 -0.176 3.785 3.960 0.002 0.000 0.686 792 G HA3 -0.176 3.785 3.960 0.002 0.000 0.686 792 G C -2.144 172.729 174.900 -0.046 0.000 1.389 792 G CA -0.609 44.466 45.100 -0.042 0.000 0.845 792 G HN 0.009 nan 8.290 nan 0.000 0.572 793 P HA -0.040 nan 4.420 nan 0.000 0.216 793 P C 1.512 178.792 177.300 -0.033 0.000 1.150 793 P CA 1.872 64.958 63.100 -0.023 0.000 0.843 793 P CB 0.137 31.828 31.700 -0.014 0.000 0.787 794 E N -0.715 119.464 120.200 -0.035 0.000 2.051 794 E HA -0.084 4.267 4.350 0.002 0.000 0.189 794 E C 2.049 178.617 176.600 -0.053 0.000 0.979 794 E CA 0.903 57.280 56.400 -0.038 0.000 0.803 794 E CB -0.430 29.252 29.700 -0.030 0.000 0.761 794 E HN 0.032 nan 8.360 nan 0.000 0.451 795 K N 0.458 120.819 120.400 -0.064 0.000 2.057 795 K HA 0.002 4.324 4.320 0.002 0.000 0.206 795 K C 2.047 178.580 176.600 -0.111 0.000 1.050 795 K CA 0.970 57.205 56.287 -0.087 0.000 0.935 795 K CB -0.373 32.068 32.500 -0.098 0.000 0.715 795 K HN 0.124 nan 8.250 nan 0.000 0.439 796 A N 2.017 124.779 122.820 -0.098 0.000 1.852 796 A HA -0.282 4.039 4.320 0.002 0.000 0.217 796 A C 2.199 179.729 177.584 -0.090 0.000 1.215 796 A CA 2.430 54.421 52.037 -0.078 0.000 0.641 796 A CB -0.730 18.255 19.000 -0.026 0.000 0.838 796 A HN 0.353 nan 8.150 nan 0.000 0.450 797 K N -0.398 119.962 120.400 -0.066 0.000 2.074 797 K HA -0.256 4.065 4.320 0.002 0.000 0.209 797 K C 2.150 178.703 176.600 -0.078 0.000 1.048 797 K CA 1.978 58.226 56.287 -0.065 0.000 0.926 797 K CB -0.215 32.256 32.500 -0.048 0.000 0.713 797 K HN 0.690 nan 8.250 nan 0.000 0.444 798 E N 0.771 120.923 120.200 -0.080 0.000 2.031 798 E HA -0.200 4.151 4.350 0.002 0.000 0.193 798 E C 2.018 178.557 176.600 -0.102 0.000 0.994 798 E CA 1.772 58.125 56.400 -0.079 0.000 0.800 798 E CB -0.218 29.442 29.700 -0.067 0.000 0.752 798 E HN 0.588 nan 8.360 nan 0.000 0.447 799 I N -2.095 118.390 120.570 -0.141 0.000 3.578 799 I HA 0.021 4.192 4.170 0.002 0.000 0.295 799 I C 1.434 177.424 176.117 -0.212 0.000 1.280 799 I CA 0.177 61.370 61.300 -0.178 0.000 1.347 799 I CB 0.600 38.456 38.000 -0.240 0.000 1.051 799 I HN -0.074 nan 8.210 nan 0.000 0.460 800 V N 0.157 119.958 119.914 -0.189 0.000 3.085 800 V HA 0.046 4.168 4.120 0.002 0.000 0.245 800 V C 1.971 177.991 176.094 -0.123 0.000 1.114 800 V CA 1.092 63.293 62.300 -0.165 0.000 1.108 800 V CB 0.962 32.706 31.823 -0.132 0.000 0.798 800 V HN 0.506 nan 8.190 nan 0.000 0.471 801 V N -1.364 118.484 119.914 -0.109 0.000 3.058 801 V HA 0.086 4.208 4.120 0.002 0.000 0.233 801 V C 1.746 177.791 176.094 -0.083 0.000 1.255 801 V CA 1.020 63.261 62.300 -0.097 0.000 1.267 801 V CB 0.451 32.220 31.823 -0.090 0.000 1.049 801 V HN 0.396 nan 8.190 nan 0.000 0.486 802 D N 1.217 121.572 120.400 -0.074 0.000 2.097 802 D HA -0.155 4.486 4.640 0.002 0.000 0.195 802 D C 1.862 178.123 176.300 -0.065 0.000 0.989 802 D CA 2.290 56.253 54.000 -0.061 0.000 0.827 802 D CB -0.453 40.315 40.800 -0.052 0.000 0.966 802 D HN 0.682 nan 8.370 nan 0.000 0.456 803 N N -0.349 118.306 118.700 -0.074 0.000 2.250 803 N HA -0.073 4.669 4.740 0.002 0.000 0.181 803 N C 1.788 177.236 175.510 -0.102 0.000 1.017 803 N CA 0.864 53.869 53.050 -0.075 0.000 0.866 803 N CB 0.076 38.523 38.487 -0.066 0.000 0.985 803 N HN -0.017 nan 8.380 nan 0.000 0.429 804 T N 0.727 115.215 114.554 -0.110 0.000 2.708 804 T HA -0.180 4.171 4.350 0.002 0.000 0.266 804 T C 1.850 176.482 174.700 -0.113 0.000 1.037 804 T CA 1.306 63.331 62.100 -0.125 0.000 1.146 804 T CB -0.110 68.694 68.868 -0.106 0.000 0.865 804 T HN 0.210 nan 8.240 nan 0.000 0.435 805 Q N -0.062 119.685 119.800 -0.090 0.000 2.124 805 Q HA -0.149 4.192 4.340 0.002 0.000 0.202 805 Q C 2.247 178.206 176.000 -0.067 0.000 0.977 805 Q CA 1.574 57.335 55.803 -0.070 0.000 0.850 805 Q CB -0.038 28.665 28.738 -0.058 0.000 0.901 805 Q HN 0.238 nan 8.270 nan 0.000 0.429 806 K N 0.535 120.893 120.400 -0.070 0.000 2.025 806 K HA -0.124 4.198 4.320 0.002 0.000 0.207 806 K C 1.740 178.296 176.600 -0.074 0.000 1.049 806 K CA 1.204 57.456 56.287 -0.060 0.000 0.933 806 K CB -0.318 32.152 32.500 -0.050 0.000 0.714 806 K HN 0.123 nan 8.250 nan 0.000 0.438 807 I N 1.465 121.965 120.570 -0.116 0.000 2.208 807 I HA -0.236 3.936 4.170 0.002 0.000 0.245 807 I C 2.308 178.348 176.117 -0.127 0.000 1.097 807 I CA 1.691 62.894 61.300 -0.161 0.000 1.363 807 I CB -1.575 36.224 38.000 -0.336 0.000 1.051 807 I HN 0.317 nan 8.210 nan 0.000 0.413 808 A N -0.102 122.650 122.820 -0.114 0.000 1.978 808 A HA -0.192 4.129 4.320 0.002 0.000 0.220 808 A C 2.532 180.085 177.584 -0.051 0.000 1.170 808 A CA 2.055 54.045 52.037 -0.078 0.000 0.636 808 A CB -0.714 18.250 19.000 -0.060 0.000 0.810 808 A HN 0.419 nan 8.150 nan 0.000 0.448 809 S N -0.709 114.963 115.700 -0.046 0.000 2.481 809 S HA 0.071 4.542 4.470 0.002 0.000 0.231 809 S C 1.460 176.045 174.600 -0.025 0.000 0.996 809 S CA 0.704 58.886 58.200 -0.030 0.000 0.942 809 S CB -0.290 62.894 63.200 -0.027 0.000 0.768 809 S HN 0.534 nan 8.310 nan 0.000 0.520 810 L N 0.962 122.166 121.223 -0.032 0.000 2.554 810 L HA 0.165 4.506 4.340 0.002 0.000 0.226 810 L C -0.142 176.718 176.870 -0.016 0.000 1.137 810 L CA 0.188 55.016 54.840 -0.021 0.000 0.863 810 L CB -0.003 42.045 42.059 -0.018 0.000 0.985 810 L HN 0.210 nan 8.230 nan 0.000 0.451 811 I N 0.200 120.757 120.570 -0.022 0.000 2.353 811 I HA 0.253 4.425 4.170 0.002 0.000 0.293 811 I C 1.036 177.148 176.117 -0.008 0.000 0.992 811 I CA 0.011 61.302 61.300 -0.015 0.000 1.268 811 I CB 0.850 38.835 38.000 -0.025 0.000 1.387 811 I HN -0.081 nan 8.210 nan 0.000 0.478 812 G N 4.396 113.195 108.800 -0.002 0.000 2.504 812 G HA2 0.102 4.064 3.960 0.002 0.000 0.257 812 G HA3 0.102 4.064 3.960 0.002 0.000 0.257 812 G C -0.571 174.336 174.900 0.012 0.000 1.451 812 G CA -0.077 45.024 45.100 0.001 0.000 1.059 812 G HN 0.603 nan 8.290 nan 0.000 0.550 813 D N -0.348 120.061 120.400 0.014 0.000 2.485 813 D HA 0.288 4.929 4.640 0.002 0.000 0.229 813 D C -0.012 176.295 176.300 0.011 0.000 1.101 813 D CA -0.562 53.457 54.000 0.032 0.000 0.906 813 D CB 0.673 41.495 40.800 0.036 0.000 1.019 813 D HN 0.274 nan 8.370 nan 0.000 0.516 814 V N 2.367 122.289 119.914 0.015 0.000 2.465 814 V HA 0.506 4.627 4.120 0.002 0.000 0.279 814 V C -0.497 175.449 176.094 -0.247 0.000 1.045 814 V CA -0.505 61.737 62.300 -0.097 0.000 0.938 814 V CB 1.008 32.762 31.823 -0.114 0.000 0.986 814 V HN 0.308 nan 8.190 nan 0.000 0.467 815 K N 7.790 127.992 120.400 -0.330 0.000 2.347 815 K HA 0.433 4.755 4.320 0.002 0.000 0.262 815 K C -1.914 174.304 176.600 -0.637 0.000 1.052 815 K CA -1.586 54.358 56.287 -0.572 0.000 0.946 815 K CB 1.569 33.897 32.500 -0.287 0.000 1.220 815 K HN 0.625 nan 8.250 nan 0.000 0.450 816 P HA -0.033 nan 4.420 nan 0.000 0.229 816 P C -0.016 177.202 177.300 -0.136 0.000 1.160 816 P CA 0.765 63.558 63.100 -0.511 0.000 0.777 816 P CB 0.522 31.806 31.700 -0.693 0.000 0.814 817 I N 0.114 120.545 120.570 -0.232 0.000 2.533 817 I HA 0.269 4.441 4.170 0.002 0.000 0.290 817 I C 0.478 176.650 176.117 0.091 0.000 1.056 817 I CA -1.022 60.305 61.300 0.046 0.000 1.057 817 I CB 2.738 40.816 38.000 0.129 0.000 1.240 817 I HN -0.185 nan 8.210 nan 0.000 0.423 818 K N 3.851 124.350 120.400 0.166 0.000 2.102 818 K HA 0.227 4.548 4.320 0.002 0.000 0.244 818 K C 0.241 176.983 176.600 0.237 0.000 1.021 818 K CA -0.699 55.708 56.287 0.200 0.000 0.913 818 K CB 1.453 34.117 32.500 0.274 0.000 1.062 818 K HN 0.438 nan 8.250 nan 0.000 0.485 819 D N 1.013 121.545 120.400 0.219 0.000 2.240 819 D HA -0.067 4.574 4.640 0.002 0.000 0.206 819 D C 0.325 176.719 176.300 0.157 0.000 0.963 819 D CA 1.079 55.181 54.000 0.170 0.000 0.863 819 D CB 0.503 41.382 40.800 0.131 0.000 0.973 819 D HN 0.562 nan 8.370 nan 0.000 0.501 820 E N 0.408 120.720 120.200 0.187 0.000 2.259 820 E HA 0.402 4.753 4.350 0.002 0.000 0.257 820 E C -0.571 176.075 176.600 0.076 0.000 0.998 820 E CA -0.996 55.434 56.400 0.051 0.000 0.866 820 E CB 1.764 31.396 29.700 -0.115 0.000 1.220 820 E HN -0.163 nan 8.360 nan 0.000 0.415 821 L N 1.504 122.711 121.223 -0.026 0.000 2.305 821 L HA 0.264 4.606 4.340 0.002 0.000 0.281 821 L C -1.531 175.266 176.870 -0.122 0.000 1.085 821 L CA -0.217 54.637 54.840 0.023 0.000 0.813 821 L CB -0.084 41.996 42.059 0.036 0.000 1.157 821 L HN 0.460 nan 8.230 nan 0.000 0.436 822 Y N 3.287 123.627 120.300 0.067 0.000 2.328 822 Y HA 0.475 5.026 4.550 0.002 0.000 0.337 822 Y C 0.526 176.431 175.900 0.008 0.000 0.966 822 Y CA -0.561 57.602 58.100 0.105 0.000 1.136 822 Y CB 1.803 40.353 38.460 0.150 0.000 1.170 822 Y HN 0.518 nan 8.280 nan 0.000 0.470 823 T N 6.284 120.967 114.554 0.216 0.000 2.823 823 T HA 0.387 4.738 4.350 0.002 0.000 0.279 823 T C -2.539 172.288 174.700 0.212 0.000 0.998 823 T CA -1.825 60.340 62.100 0.107 0.000 0.994 823 T CB 1.091 70.005 68.868 0.076 0.000 0.960 823 T HN 0.334 nan 8.240 nan 0.000 0.448 824 P HA 0.379 nan 4.420 nan 0.000 0.276 824 P C -0.882 176.563 177.300 0.241 0.000 1.244 824 P CA -0.698 62.518 63.100 0.194 0.000 0.801 824 P CB 0.807 32.621 31.700 0.189 0.000 1.006 825 R N 1.900 122.558 120.500 0.263 0.000 2.534 825 R HA 0.658 4.999 4.340 0.002 0.000 0.301 825 R C -0.456 175.933 176.300 0.148 0.000 0.961 825 R CA -0.761 55.453 56.100 0.190 0.000 0.871 825 R CB 1.652 32.057 30.300 0.174 0.000 1.170 825 R HN 0.551 nan 8.270 nan 0.000 0.446 826 I N 1.527 122.157 120.570 0.099 0.000 2.512 826 I HA 0.123 4.294 4.170 0.002 0.000 0.287 826 I C 0.341 176.482 176.117 0.041 0.000 1.069 826 I CA -0.779 60.553 61.300 0.054 0.000 1.056 826 I CB 2.457 40.459 38.000 0.003 0.000 1.229 826 I HN 0.548 nan 8.210 nan 0.000 0.429 827 E N 5.437 125.658 120.200 0.036 0.000 2.652 827 E HA 0.056 4.407 4.350 0.002 0.000 0.255 827 E C 1.118 177.732 176.600 0.024 0.000 0.952 827 E CA 1.317 57.735 56.400 0.030 0.000 0.947 827 E CB 0.323 30.038 29.700 0.026 0.000 0.912 827 E HN 0.920 nan 8.360 nan 0.000 0.489 828 G N 2.718 111.533 108.800 0.026 0.000 2.194 828 G HA2 -0.356 3.606 3.960 0.002 0.000 0.236 828 G HA3 -0.356 3.606 3.960 0.002 0.000 0.236 828 G C 0.878 175.795 174.900 0.028 0.000 0.987 828 G CA 0.354 45.468 45.100 0.024 0.000 0.635 828 G HN 0.869 nan 8.290 nan 0.000 0.520 829 A N 0.519 123.360 122.820 0.035 0.000 1.873 829 A HA 0.127 4.448 4.320 0.002 0.000 0.215 829 A C 1.985 179.595 177.584 0.043 0.000 1.186 829 A CA 2.354 54.418 52.037 0.045 0.000 0.616 829 A CB -0.404 18.632 19.000 0.060 0.000 0.823 829 A HN 0.361 nan 8.150 nan 0.000 0.442 830 D N -0.297 120.127 120.400 0.041 0.000 2.104 830 D HA -0.171 4.471 4.640 0.002 0.000 0.194 830 D C 1.956 178.269 176.300 0.021 0.000 0.994 830 D CA 1.835 55.853 54.000 0.031 0.000 0.830 830 D CB -0.394 40.423 40.800 0.029 0.000 0.959 830 D HN 0.812 nan 8.370 nan 0.000 0.452 831 E N 0.899 121.112 120.200 0.022 0.000 2.216 831 E HA -0.137 4.214 4.350 0.002 0.000 0.192 831 E C 1.851 178.463 176.600 0.021 0.000 0.988 831 E CA 1.073 57.484 56.400 0.019 0.000 0.834 831 E CB -0.181 29.527 29.700 0.014 0.000 0.772 831 E HN 0.320 nan 8.360 nan 0.000 0.479 832 E N 0.140 120.353 120.200 0.021 0.000 2.107 832 E HA -0.121 4.231 4.350 0.002 0.000 0.191 832 E C 1.793 178.397 176.600 0.007 0.000 0.982 832 E CA 0.923 57.334 56.400 0.018 0.000 0.809 832 E CB 0.036 29.750 29.700 0.023 0.000 0.756 832 E HN 0.310 nan 8.360 nan 0.000 0.459 833 I N 1.499 122.072 120.570 0.005 0.000 2.286 833 I HA -0.242 3.930 4.170 0.002 0.000 0.248 833 I C 2.594 178.700 176.117 -0.017 0.000 1.115 833 I CA 1.175 62.463 61.300 -0.020 0.000 1.392 833 I CB -1.169 36.813 38.000 -0.030 0.000 1.065 833 I HN 0.230 nan 8.210 nan 0.000 0.418 834 R N 1.250 121.762 120.500 0.021 0.000 2.080 834 R HA -0.235 4.106 4.340 0.002 0.000 0.236 834 R C 2.192 178.584 176.300 0.153 0.000 1.137 834 R CA 2.319 58.477 56.100 0.097 0.000 0.943 834 R CB -0.113 30.247 30.300 0.100 0.000 0.846 834 R HN 0.489 nan 8.270 nan 0.000 0.431 835 E N 0.149 120.402 120.200 0.089 0.000 2.150 835 E HA -0.150 4.201 4.350 0.002 0.000 0.193 835 E C 2.062 178.701 176.600 0.065 0.000 0.985 835 E CA 1.270 57.722 56.400 0.088 0.000 0.814 835 E CB -0.478 29.248 29.700 0.043 0.000 0.752 835 E HN 0.292 nan 8.360 nan 0.000 0.466 836 M N 1.157 120.763 119.600 0.011 0.000 2.065 836 M HA -0.182 4.300 4.480 0.002 0.000 0.259 836 M C 2.373 178.648 176.300 -0.042 0.000 1.069 836 M CA 2.427 57.703 55.300 -0.040 0.000 1.110 836 M CB -0.437 32.091 32.600 -0.120 0.000 1.328 836 M HN 0.383 nan 8.290 nan 0.000 0.405 837 S N -0.616 115.047 115.700 -0.062 0.000 2.368 837 S HA -0.159 4.313 4.470 0.002 0.000 0.224 837 S C 1.739 176.276 174.600 -0.105 0.000 1.029 837 S CA 1.061 59.180 58.200 -0.134 0.000 0.988 837 S CB -1.076 61.996 63.200 -0.213 0.000 0.838 837 S HN 0.410 nan 8.310 nan 0.000 0.462 838 Y N 2.204 122.496 120.300 -0.014 0.000 2.145 838 Y HA -0.051 4.500 4.550 0.002 0.000 0.286 838 Y C 2.952 178.869 175.900 0.029 0.000 1.145 838 Y CA 1.600 59.710 58.100 0.017 0.000 1.148 838 Y CB -0.388 38.076 38.460 0.007 0.000 0.981 838 Y HN 0.194 nan 8.280 nan 0.000 0.507 839 R N 0.412 121.008 120.500 0.160 0.000 2.073 839 R HA -0.230 4.111 4.340 0.002 0.000 0.234 839 R C 2.378 178.726 176.300 0.081 0.000 1.134 839 R CA 1.908 58.069 56.100 0.102 0.000 0.952 839 R CB -0.220 30.119 30.300 0.065 0.000 0.850 839 R HN 0.174 nan 8.270 nan 0.000 0.433 840 R N 0.147 120.676 120.500 0.048 0.000 2.075 840 R HA -0.025 4.317 4.340 0.002 0.000 0.232 840 R C 2.079 178.430 176.300 0.085 0.000 1.126 840 R CA 1.650 57.772 56.100 0.035 0.000 0.963 840 R CB -0.406 29.884 30.300 -0.017 0.000 0.858 840 R HN 0.354 nan 8.270 nan 0.000 0.435 841 A N 0.557 123.445 122.820 0.113 0.000 1.930 841 A HA -0.145 4.176 4.320 0.002 0.000 0.217 841 A C 1.944 179.710 177.584 0.304 0.000 1.175 841 A CA 1.580 53.788 52.037 0.285 0.000 0.627 841 A CB -0.341 18.815 19.000 0.260 0.000 0.815 841 A HN 0.347 nan 8.150 nan 0.000 0.443 842 K N 0.017 120.540 120.400 0.204 0.000 2.025 842 K HA -0.168 4.153 4.320 0.002 0.000 0.207 842 K C 1.893 178.573 176.600 0.132 0.000 1.049 842 K CA 1.591 57.984 56.287 0.177 0.000 0.933 842 K CB -0.205 32.382 32.500 0.145 0.000 0.714 842 K HN 0.818 nan 8.250 nan 0.000 0.438 843 E N 0.480 120.739 120.200 0.098 0.000 2.333 843 E HA -0.156 4.195 4.350 0.002 0.000 0.198 843 E C 1.624 178.239 176.600 0.025 0.000 1.007 843 E CA 0.955 57.389 56.400 0.056 0.000 0.845 843 E CB -0.155 29.571 29.700 0.042 0.000 0.766 843 E HN 0.364 nan 8.360 nan 0.000 0.507 844 I N -0.900 119.681 120.570 0.019 0.000 2.810 844 I HA -0.061 4.111 4.170 0.002 0.000 0.262 844 I C 1.216 177.176 176.117 -0.261 0.000 1.131 844 I CA 0.458 61.667 61.300 -0.151 0.000 1.453 844 I CB 0.161 38.004 38.000 -0.262 0.000 1.161 844 I HN -0.012 nan 8.210 nan 0.000 0.444 845 Y N 1.206 121.569 120.300 0.106 0.000 2.444 845 Y HA 0.460 5.012 4.550 0.002 0.000 0.249 845 Y C 1.181 177.128 175.900 0.079 0.000 1.134 845 Y CA 0.178 58.335 58.100 0.096 0.000 1.261 845 Y CB 0.354 38.874 38.460 0.101 0.000 1.143 845 Y HN 0.177 nan 8.280 nan 0.000 0.523 846 G N 0.767 109.677 108.800 0.182 0.000 2.746 846 G HA2 -0.166 3.796 3.960 0.002 0.000 0.685 846 G HA3 -0.166 3.796 3.960 0.002 0.000 0.685 846 G C -1.600 173.373 174.900 0.121 0.000 1.350 846 G CA -0.594 44.584 45.100 0.130 0.000 0.837 846 G HN 0.098 nan 8.290 nan 0.000 0.564 847 D N 1.043 121.497 120.400 0.089 0.000 2.481 847 D HA 0.627 5.269 4.640 0.002 0.000 0.246 847 D C -0.976 175.358 176.300 0.056 0.000 1.109 847 D CA -0.819 53.225 54.000 0.074 0.000 0.845 847 D CB 1.372 42.209 40.800 0.062 0.000 1.160 847 D HN 0.497 nan 8.370 nan 0.000 0.534 848 P HA 0.322 nan 4.420 nan 0.000 0.274 848 P C -0.088 177.250 177.300 0.063 0.000 1.256 848 P CA -0.553 62.576 63.100 0.049 0.000 0.795 848 P CB 1.062 32.779 31.700 0.028 0.000 1.038 849 L N 1.172 122.435 121.223 0.068 0.000 2.452 849 L HA 0.244 4.585 4.340 0.002 0.000 0.267 849 L C -1.835 175.032 176.870 -0.005 0.000 1.188 849 L CA -1.857 53.018 54.840 0.058 0.000 0.821 849 L CB -0.391 41.701 42.059 0.054 0.000 1.102 849 L HN 0.299 nan 8.230 nan 0.000 0.470 850 P HA 0.023 nan 4.420 nan 0.000 0.269 850 P C 0.193 177.376 177.300 -0.195 0.000 1.215 850 P CA -0.233 62.799 63.100 -0.113 0.000 0.780 850 P CB 0.613 32.228 31.700 -0.142 0.000 0.898 851 K N 1.518 121.806 120.400 -0.187 0.000 2.044 851 K HA -0.172 4.150 4.320 0.002 0.000 0.210 851 K C 1.738 178.172 176.600 -0.277 0.000 1.049 851 K CA 1.203 57.379 56.287 -0.186 0.000 0.927 851 K CB -0.455 31.953 32.500 -0.153 0.000 0.713 851 K HN 0.309 nan 8.250 nan 0.000 0.443 852 L N 1.016 121.989 121.223 -0.416 0.000 1.997 852 L HA -0.217 4.125 4.340 0.002 0.000 0.216 852 L C 2.209 178.746 176.870 -0.555 0.000 1.074 852 L CA 1.696 56.204 54.840 -0.552 0.000 0.763 852 L CB -0.937 40.553 42.059 -0.948 0.000 0.890 852 L HN 0.068 nan 8.230 nan 0.000 0.434 853 V N -0.573 118.982 119.914 -0.599 0.000 2.323 853 V HA -0.227 3.895 4.120 0.002 0.000 0.244 853 V C 2.531 178.405 176.094 -0.366 0.000 1.041 853 V CA 1.545 63.474 62.300 -0.618 0.000 1.025 853 V CB -0.531 30.920 31.823 -0.621 0.000 0.656 853 V HN 0.403 nan 8.190 nan 0.000 0.451 854 E N 0.842 120.908 120.200 -0.222 0.000 2.070 854 E HA -0.274 4.078 4.350 0.002 0.000 0.197 854 E C 2.105 178.639 176.600 -0.109 0.000 1.004 854 E CA 2.105 58.453 56.400 -0.086 0.000 0.805 854 E CB -0.204 29.473 29.700 -0.038 0.000 0.744 854 E HN 0.700 nan 8.360 nan 0.000 0.451 855 E N -0.809 119.291 120.200 -0.165 0.000 2.152 855 E HA -0.147 4.205 4.350 0.002 0.000 0.192 855 E C 2.140 178.631 176.600 -0.181 0.000 0.983 855 E CA 0.750 57.062 56.400 -0.146 0.000 0.818 855 E CB -0.027 29.584 29.700 -0.148 0.000 0.758 855 E HN 0.022 nan 8.360 nan 0.000 0.467 856 R N 1.087 121.434 120.500 -0.255 0.000 2.073 856 R HA -0.057 4.285 4.340 0.002 0.000 0.229 856 R C 2.030 178.190 176.300 -0.233 0.000 1.120 856 R CA 1.029 56.965 56.100 -0.273 0.000 0.967 856 R CB -0.402 29.660 30.300 -0.397 0.000 0.862 856 R HN 0.116 nan 8.270 nan 0.000 0.436 857 L N 0.166 121.265 121.223 -0.207 0.000 1.994 857 L HA -0.172 4.170 4.340 0.002 0.000 0.208 857 L C 2.409 179.170 176.870 -0.182 0.000 1.071 857 L CA 1.923 56.626 54.840 -0.229 0.000 0.745 857 L CB -0.510 41.279 42.059 -0.450 0.000 0.892 857 L HN 0.328 nan 8.230 nan 0.000 0.431 858 E N -0.105 120.044 120.200 -0.085 0.000 2.085 858 E HA -0.294 4.057 4.350 0.002 0.000 0.194 858 E C 2.178 178.727 176.600 -0.085 0.000 0.994 858 E CA 1.507 57.896 56.400 -0.019 0.000 0.801 858 E CB 0.011 29.722 29.700 0.018 0.000 0.743 858 E HN 0.320 nan 8.360 nan 0.000 0.453 859 K N 0.964 121.281 120.400 -0.138 0.000 2.062 859 K HA -0.170 4.151 4.320 0.002 0.000 0.205 859 K C 1.950 178.383 176.600 -0.279 0.000 1.051 859 K CA 1.313 57.505 56.287 -0.158 0.000 0.941 859 K CB 0.073 32.484 32.500 -0.149 0.000 0.719 859 K HN -0.004 nan 8.250 nan 0.000 0.440 860 E N 0.582 120.516 120.200 -0.443 0.000 2.072 860 E HA -0.117 4.235 4.350 0.002 0.000 0.191 860 E C 2.096 178.464 176.600 -0.388 0.000 0.985 860 E CA 0.913 56.855 56.400 -0.764 0.000 0.801 860 E CB 0.048 29.286 29.700 -0.770 0.000 0.750 860 E HN 0.300 nan 8.360 nan 0.000 0.452 861 L N 0.917 121.996 121.223 -0.240 0.000 2.093 861 L HA -0.193 4.149 4.340 0.002 0.000 0.208 861 L C 2.519 179.341 176.870 -0.080 0.000 1.085 861 L CA 1.456 56.210 54.840 -0.145 0.000 0.755 861 L CB -0.363 41.647 42.059 -0.082 0.000 0.904 861 L HN 0.136 nan 8.230 nan 0.000 0.435 862 K N -1.265 119.094 120.400 -0.068 0.000 2.288 862 K HA -0.111 4.210 4.320 0.002 0.000 0.201 862 K C 2.124 178.705 176.600 -0.033 0.000 1.048 862 K CA 1.448 57.709 56.287 -0.042 0.000 0.956 862 K CB -0.148 32.331 32.500 -0.035 0.000 0.746 862 K HN 0.013 nan 8.250 nan 0.000 0.461 863 S N 0.858 116.568 115.700 0.016 0.000 2.362 863 S HA 0.036 4.508 4.470 0.002 0.000 0.221 863 S C 1.907 176.632 174.600 0.208 0.000 1.032 863 S CA 0.463 58.757 58.200 0.155 0.000 0.973 863 S CB -0.252 63.162 63.200 0.358 0.000 0.849 863 S HN 0.365 nan 8.310 nan 0.000 0.465 864 I N 1.332 122.002 120.570 0.167 0.000 2.163 864 I HA -0.196 3.976 4.170 0.002 0.000 0.243 864 I C 2.186 178.403 176.117 0.167 0.000 1.085 864 I CA 1.383 62.775 61.300 0.153 0.000 1.347 864 I CB -0.383 37.545 38.000 -0.121 0.000 1.044 864 I HN 0.322 nan 8.210 nan 0.000 0.408 865 I N 0.561 121.164 120.570 0.056 0.000 2.142 865 I HA -0.218 3.954 4.170 0.002 0.000 0.240 865 I C 2.667 178.815 176.117 0.051 0.000 1.078 865 I CA 1.772 63.104 61.300 0.053 0.000 1.343 865 I CB -0.846 37.158 38.000 0.006 0.000 1.046 865 I HN 0.267 nan 8.210 nan 0.000 0.405 866 G N -0.251 108.525 108.800 -0.039 0.000 2.422 866 G HA2 -0.211 3.750 3.960 0.002 0.000 0.218 866 G HA3 -0.211 3.750 3.960 0.002 0.000 0.218 866 G C 1.352 176.152 174.900 -0.167 0.000 1.146 866 G CA 0.626 45.629 45.100 -0.160 0.000 0.769 866 G HN 0.431 nan 8.290 nan 0.000 0.547 867 H N 0.264 119.446 119.070 0.188 0.000 2.526 867 H HA 0.229 4.787 4.556 0.002 0.000 0.274 867 H C 1.949 177.505 175.328 0.379 0.000 0.999 867 H CA 0.275 56.486 56.048 0.271 0.000 1.157 867 H CB 0.035 29.960 29.762 0.272 0.000 1.407 867 H HN 0.409 nan 8.280 nan 0.000 0.568 868 G N 0.886 109.895 108.800 0.347 0.000 2.212 868 G HA2 -0.284 3.678 3.960 0.002 0.000 0.255 868 G HA3 -0.284 3.678 3.960 0.002 0.000 0.255 868 G C 0.326 175.331 174.900 0.176 0.000 1.062 868 G CA 0.046 45.277 45.100 0.218 0.000 0.815 868 G HN 0.446 nan 8.290 nan 0.000 0.497 869 F N -0.221 119.848 119.950 0.197 0.000 2.678 869 F HA 0.436 4.964 4.527 0.002 0.000 0.305 869 F C 2.458 178.420 175.800 0.270 0.000 1.090 869 F CA 0.642 58.809 58.000 0.279 0.000 1.272 869 F CB 0.328 39.571 39.000 0.406 0.000 1.060 869 F HN 0.316 nan 8.300 nan 0.000 0.576 870 A N 0.123 123.113 122.820 0.282 0.000 1.908 870 A HA -0.144 4.177 4.320 0.002 0.000 0.218 870 A C 2.276 179.998 177.584 0.230 0.000 1.181 870 A CA 1.914 54.055 52.037 0.173 0.000 0.627 870 A CB -1.037 18.012 19.000 0.082 0.000 0.818 870 A HN 0.151 nan 8.150 nan 0.000 0.445 871 V N 1.011 121.049 119.914 0.206 0.000 2.282 871 V HA -0.330 3.791 4.120 0.002 0.000 0.249 871 V C 2.538 178.781 176.094 0.249 0.000 1.057 871 V CA 2.276 64.691 62.300 0.193 0.000 1.032 871 V CB -0.905 31.032 31.823 0.191 0.000 0.645 871 V HN 0.794 nan 8.190 nan 0.000 0.447 872 I N -3.258 117.497 120.570 0.309 0.000 2.546 872 I HA -0.170 4.001 4.170 0.002 0.000 0.255 872 I C 2.442 178.749 176.117 0.316 0.000 1.163 872 I CA 1.543 63.031 61.300 0.313 0.000 1.457 872 I CB -0.669 37.487 38.000 0.260 0.000 1.092 872 I HN 0.175 nan 8.210 nan 0.000 0.434 873 Y N 1.157 121.585 120.300 0.214 0.000 2.128 873 Y HA -0.216 4.335 4.550 0.003 0.000 0.284 873 Y C 2.480 178.470 175.900 0.151 0.000 1.154 873 Y CA 2.172 60.373 58.100 0.168 0.000 1.149 873 Y CB -0.493 38.051 38.460 0.141 0.000 0.976 873 Y HN 0.193 nan 8.280 nan 0.000 0.505 874 L N -0.794 120.608 121.223 0.299 0.000 2.027 874 L HA -0.190 4.151 4.340 0.002 0.000 0.206 874 L C 2.041 179.028 176.870 0.196 0.000 1.074 874 L CA 1.428 56.399 54.840 0.218 0.000 0.745 874 L CB -0.763 41.380 42.059 0.140 0.000 0.898 874 L HN 0.098 nan 8.230 nan 0.000 0.433 875 I N -0.711 119.937 120.570 0.130 0.000 2.208 875 I HA -0.297 3.875 4.170 0.002 0.000 0.245 875 I C 2.581 178.786 176.117 0.148 0.000 1.097 875 I CA 1.421 62.760 61.300 0.064 0.000 1.363 875 I CB -0.963 37.061 38.000 0.040 0.000 1.051 875 I HN 0.177 nan 8.210 nan 0.000 0.413 876 S N -1.005 114.807 115.700 0.187 0.000 2.399 876 S HA -0.266 4.205 4.470 0.002 0.000 0.231 876 S C 2.023 176.741 174.600 0.196 0.000 1.022 876 S CA 1.470 59.779 58.200 0.182 0.000 0.983 876 S CB -0.555 62.710 63.200 0.108 0.000 0.803 876 S HN 0.632 nan 8.310 nan 0.000 0.480 877 H N 1.645 120.782 119.070 0.111 0.000 2.326 877 H HA 0.052 4.610 4.556 0.002 0.000 0.301 877 H C 1.881 177.290 175.328 0.135 0.000 1.081 877 H CA 1.788 57.896 56.048 0.101 0.000 1.334 877 H CB -0.070 29.748 29.762 0.093 0.000 1.385 877 H HN 0.235 nan 8.280 nan 0.000 0.504 878 K N -0.031 120.395 120.400 0.045 0.000 2.097 878 K HA -0.049 4.273 4.320 0.002 0.000 0.205 878 K C 2.380 179.126 176.600 0.243 0.000 1.050 878 K CA 1.193 57.516 56.287 0.059 0.000 0.938 878 K CB -0.021 32.575 32.500 0.160 0.000 0.718 878 K HN 0.251 nan 8.250 nan 0.000 0.442 879 L N 0.574 121.974 121.223 0.294 0.000 2.012 879 L HA -0.227 4.114 4.340 0.002 0.000 0.210 879 L C 2.343 179.446 176.870 0.389 0.000 1.073 879 L CA 1.117 56.210 54.840 0.422 0.000 0.748 879 L CB -0.500 41.816 42.059 0.428 0.000 0.891 879 L HN 0.001 nan 8.230 nan 0.000 0.431 880 V N -0.093 119.970 119.914 0.249 0.000 2.295 880 V HA -0.333 3.788 4.120 0.002 0.000 0.246 880 V C 2.553 178.668 176.094 0.035 0.000 1.049 880 V CA 1.991 64.360 62.300 0.115 0.000 1.024 880 V CB -0.534 31.290 31.823 0.002 0.000 0.648 880 V HN 0.440 nan 8.190 nan 0.000 0.447 881 K N 0.312 120.676 120.400 -0.059 0.000 2.032 881 K HA -0.273 4.048 4.320 0.002 0.000 0.209 881 K C 2.345 178.924 176.600 -0.035 0.000 1.048 881 K CA 2.040 58.270 56.287 -0.095 0.000 0.927 881 K CB -0.228 32.134 32.500 -0.229 0.000 0.712 881 K HN 0.370 nan 8.250 nan 0.000 0.441 882 K N 0.308 120.704 120.400 -0.007 0.000 2.063 882 K HA -0.161 4.161 4.320 0.002 0.000 0.208 882 K C 2.216 178.812 176.600 -0.007 0.000 1.048 882 K CA 1.752 58.004 56.287 -0.058 0.000 0.928 882 K CB -0.277 32.077 32.500 -0.244 0.000 0.713 882 K HN 0.110 nan 8.250 nan 0.000 0.442 883 S N 0.818 116.534 115.700 0.026 0.000 2.365 883 S HA -0.147 4.325 4.470 0.002 0.000 0.225 883 S C 2.015 176.523 174.600 -0.153 0.000 1.039 883 S CA 1.332 59.393 58.200 -0.231 0.000 1.033 883 S CB -0.266 62.863 63.200 -0.118 0.000 0.887 883 S HN 0.358 nan 8.310 nan 0.000 0.447 884 L N 1.144 122.327 121.223 -0.066 0.000 2.017 884 L HA -0.128 4.213 4.340 0.002 0.000 0.208 884 L C 2.388 179.235 176.870 -0.037 0.000 1.073 884 L CA 1.643 56.453 54.840 -0.051 0.000 0.745 884 L CB -0.622 41.412 42.059 -0.040 0.000 0.894 884 L HN 0.271 nan 8.230 nan 0.000 0.432 885 D N -0.186 120.197 120.400 -0.028 0.000 2.178 885 D HA -0.170 4.472 4.640 0.002 0.000 0.201 885 D C 1.464 177.765 176.300 0.003 0.000 0.980 885 D CA 1.121 55.111 54.000 -0.017 0.000 0.842 885 D CB -0.220 40.567 40.800 -0.021 0.000 0.948 885 D HN 0.332 nan 8.370 nan 0.000 0.472 886 D N -0.772 119.643 120.400 0.025 0.000 2.349 886 D HA 0.129 4.770 4.640 0.002 0.000 0.224 886 D C 1.419 177.787 176.300 0.114 0.000 1.029 886 D CA 0.639 54.704 54.000 0.108 0.000 0.879 886 D CB 0.497 41.443 40.800 0.243 0.000 0.906 886 D HN 0.280 nan 8.370 nan 0.000 0.528 887 G N 0.323 109.125 108.800 0.003 0.000 2.134 887 G HA2 -0.262 3.699 3.960 0.002 0.000 0.209 887 G HA3 -0.262 3.699 3.960 0.002 0.000 0.209 887 G C -0.303 174.408 174.900 -0.315 0.000 0.993 887 G CA -0.481 44.542 45.100 -0.128 0.000 0.669 887 G HN 0.323 nan 8.290 nan 0.000 0.519 888 Y N 0.335 120.524 120.300 -0.185 0.000 2.338 888 Y HA 0.555 5.107 4.550 0.002 0.000 0.328 888 Y C 0.881 176.669 175.900 -0.187 0.000 0.965 888 Y CA -1.167 56.811 58.100 -0.203 0.000 1.208 888 Y CB 1.025 39.272 38.460 -0.355 0.000 1.132 888 Y HN 0.399 nan 8.280 nan 0.000 0.469 889 L N 1.620 122.830 121.223 -0.021 0.000 2.483 889 L HA 0.530 4.871 4.340 0.002 0.000 0.275 889 L C -0.504 176.327 176.870 -0.064 0.000 1.220 889 L CA -0.437 54.376 54.840 -0.046 0.000 0.833 889 L CB 0.070 42.099 42.059 -0.048 0.000 1.102 889 L HN 0.269 nan 8.230 nan 0.000 0.490 890 V N 1.145 120.981 119.914 -0.130 0.000 2.495 890 V HA 0.697 4.818 4.120 0.002 0.000 0.298 890 V C 0.743 176.709 176.094 -0.213 0.000 1.031 890 V CA -0.197 61.951 62.300 -0.254 0.000 0.871 890 V CB 1.329 32.891 31.823 -0.434 0.000 0.988 890 V HN 1.066 nan 8.190 nan 0.000 0.432 891 G N 2.489 111.153 108.800 -0.226 0.000 2.356 891 G HA2 0.460 4.421 3.960 0.002 0.000 0.298 891 G HA3 0.460 4.421 3.960 0.002 0.000 0.298 891 G C -0.023 174.762 174.900 -0.192 0.000 1.145 891 G CA -0.215 44.766 45.100 -0.199 0.000 0.850 891 G HN 0.644 nan 8.290 nan 0.000 0.487 892 S N 0.429 116.053 115.700 -0.128 0.000 2.585 892 S HA 0.516 4.987 4.470 0.002 0.000 0.273 892 S C 0.440 175.020 174.600 -0.034 0.000 1.339 892 S CA -0.135 58.016 58.200 -0.082 0.000 1.028 892 S CB 1.097 64.267 63.200 -0.050 0.000 0.906 892 S HN 0.705 nan 8.310 nan 0.000 0.528 893 R N -0.207 120.294 120.500 0.002 0.000 2.692 893 R HA 0.536 4.878 4.340 0.002 0.000 0.269 893 R C 0.075 176.447 176.300 0.120 0.000 1.030 893 R CA 0.289 56.451 56.100 0.103 0.000 0.882 893 R CB 1.056 31.446 30.300 0.150 0.000 1.250 893 R HN 0.963 nan 8.270 nan 0.000 0.465 894 G N 0.780 109.732 108.800 0.253 0.000 2.645 894 G HA2 -0.338 3.624 3.960 0.002 0.000 0.246 894 G HA3 -0.338 3.624 3.960 0.002 0.000 0.246 894 G C 0.414 175.358 174.900 0.073 0.000 1.322 894 G CA 0.234 45.384 45.100 0.084 0.000 0.898 894 G HN 0.963 nan 8.290 nan 0.000 0.573 895 S N -0.852 114.915 115.700 0.112 0.000 2.558 895 S HA 0.168 4.640 4.470 0.002 0.000 0.217 895 S C 2.308 176.986 174.600 0.130 0.000 0.975 895 S CA 1.689 59.983 58.200 0.157 0.000 0.912 895 S CB 0.113 63.455 63.200 0.237 0.000 0.776 895 S HN 1.878 nan 8.310 nan 0.000 0.526 896 V N 0.167 120.069 119.914 -0.020 0.000 2.913 896 V HA 0.151 4.272 4.120 0.002 0.000 0.260 896 V C 2.424 178.378 176.094 -0.233 0.000 1.098 896 V CA 1.261 63.313 62.300 -0.414 0.000 1.121 896 V CB -1.873 29.675 31.823 -0.458 0.000 0.714 896 V HN 0.522 nan 8.190 nan 0.000 0.487 897 G N 0.493 109.244 108.800 -0.082 0.000 2.586 897 G HA2 -0.147 3.814 3.960 0.002 0.000 0.215 897 G HA3 -0.147 3.814 3.960 0.002 0.000 0.215 897 G C 1.414 176.333 174.900 0.032 0.000 1.128 897 G CA 0.924 46.012 45.100 -0.020 0.000 0.774 897 G HN 0.597 nan 8.290 nan 0.000 0.543 898 S N -0.533 115.182 115.700 0.026 0.000 2.603 898 S HA 0.172 4.643 4.470 0.002 0.000 0.220 898 S C 1.030 175.744 174.600 0.189 0.000 0.967 898 S CA 0.172 58.433 58.200 0.102 0.000 0.920 898 S CB 0.282 63.544 63.200 0.103 0.000 0.773 898 S HN 0.275 nan 8.310 nan 0.000 0.529 899 S N 0.805 116.585 115.700 0.134 0.000 2.566 899 S HA 0.404 4.875 4.470 0.002 0.000 0.324 899 S C 0.398 175.110 174.600 0.187 0.000 1.081 899 S CA -0.831 57.528 58.200 0.264 0.000 1.105 899 S CB 0.111 63.435 63.200 0.208 0.000 0.981 899 S HN 0.276 nan 8.310 nan 0.000 0.464 900 F N 5.492 125.463 119.950 0.035 0.000 2.202 900 F HA -0.072 4.457 4.527 0.002 0.000 0.301 900 F C 1.721 177.507 175.800 -0.023 0.000 1.082 900 F CA 1.729 59.720 58.000 -0.014 0.000 1.313 900 F CB -0.256 38.694 39.000 -0.083 0.000 1.024 900 F HN 0.517 nan 8.300 nan 0.000 0.495 901 V N 0.383 120.247 119.914 -0.082 0.000 2.407 901 V HA -0.317 3.804 4.120 0.002 0.000 0.248 901 V C 2.742 178.816 176.094 -0.033 0.000 1.055 901 V CA 1.739 63.946 62.300 -0.155 0.000 1.049 901 V CB -1.550 30.190 31.823 -0.138 0.000 0.662 901 V HN 0.482 nan 8.190 nan 0.000 0.455 902 A N -0.149 122.748 122.820 0.129 0.000 1.933 902 A HA -0.206 4.115 4.320 0.002 0.000 0.218 902 A C 2.399 179.949 177.584 -0.056 0.000 1.175 902 A CA 2.387 54.463 52.037 0.065 0.000 0.628 902 A CB -0.898 18.050 19.000 -0.086 0.000 0.814 902 A HN 0.519 nan 8.150 nan 0.000 0.444 903 T N 0.337 114.822 114.554 -0.114 0.000 2.652 903 T HA -0.162 4.189 4.350 0.002 0.000 0.267 903 T C 1.900 176.477 174.700 -0.205 0.000 1.039 903 T CA 1.709 63.729 62.100 -0.133 0.000 1.153 903 T CB -0.287 68.512 68.868 -0.116 0.000 0.863 903 T HN 0.293 nan 8.240 nan 0.000 0.428 904 M N 2.001 121.354 119.600 -0.411 0.000 2.358 904 M HA -0.033 4.449 4.480 0.002 0.000 0.264 904 M C 2.353 178.550 176.300 -0.172 0.000 1.064 904 M CA 1.337 56.434 55.300 -0.338 0.000 1.093 904 M CB -1.715 30.590 32.600 -0.492 0.000 1.401 904 M HN 0.471 nan 8.290 nan 0.000 0.440 905 T N -3.132 111.349 114.554 -0.121 0.000 3.107 905 T HA 0.166 4.517 4.350 0.002 0.000 0.249 905 T C 0.349 175.076 174.700 0.045 0.000 1.096 905 T CA -0.073 61.969 62.100 -0.096 0.000 1.012 905 T CB -0.204 68.644 68.868 -0.033 0.000 0.977 905 T HN 0.514 nan 8.240 nan 0.000 0.527 906 E N -0.402 119.823 120.200 0.041 0.000 2.416 906 E HA -0.151 4.201 4.350 0.002 0.000 0.249 906 E C -0.133 176.519 176.600 0.087 0.000 1.124 906 E CA 0.104 56.556 56.400 0.086 0.000 0.732 906 E CB -1.575 28.212 29.700 0.144 0.000 1.286 906 E HN 0.438 nan 8.360 nan 0.000 0.394 907 I N -0.318 120.271 120.570 0.032 0.000 4.018 907 I HA 0.087 4.259 4.170 0.002 0.000 0.337 907 I C 0.628 176.707 176.117 -0.064 0.000 1.327 907 I CA 0.832 62.122 61.300 -0.017 0.000 1.100 907 I CB 1.568 39.534 38.000 -0.056 0.000 1.025 907 I HN 0.170 nan 8.210 nan 0.000 0.396 908 T N -1.399 113.129 114.554 -0.043 0.000 2.957 908 T HA 0.258 4.610 4.350 0.002 0.000 0.336 908 T C 0.084 174.783 174.700 -0.001 0.000 1.462 908 T CA -0.425 61.652 62.100 -0.038 0.000 1.073 908 T CB 1.069 69.909 68.868 -0.047 0.000 1.319 908 T HN 0.141 nan 8.240 nan 0.000 0.485 909 E N 1.395 121.604 120.200 0.016 0.000 2.474 909 E HA 0.188 4.540 4.350 0.002 0.000 0.195 909 E C 0.103 176.770 176.600 0.111 0.000 1.039 909 E CA 0.023 56.460 56.400 0.062 0.000 0.881 909 E CB 0.631 30.371 29.700 0.067 0.000 0.970 909 E HN 0.345 nan 8.360 nan 0.000 0.486 910 V N 2.322 122.288 119.914 0.087 0.000 2.455 910 V HA 0.049 4.171 4.120 0.002 0.000 0.273 910 V C -0.019 176.184 176.094 0.181 0.000 1.045 910 V CA -0.282 62.098 62.300 0.133 0.000 0.976 910 V CB 0.656 32.515 31.823 0.060 0.000 0.993 910 V HN 0.147 nan 8.190 nan 0.000 0.475 911 N N 6.911 125.752 118.700 0.235 0.000 2.437 911 N HA 0.379 5.120 4.740 0.002 0.000 0.259 911 N C -1.847 173.791 175.510 0.215 0.000 0.983 911 N CA -1.603 51.590 53.050 0.239 0.000 0.937 911 N CB 1.896 40.531 38.487 0.246 0.000 1.122 911 N HN 0.344 nan 8.380 nan 0.000 0.499 912 P HA 0.048 nan 4.420 nan 0.000 0.261 912 P C 0.057 177.432 177.300 0.125 0.000 1.268 912 P CA 0.107 63.318 63.100 0.185 0.000 0.833 912 P CB 0.415 32.229 31.700 0.190 0.000 1.231 913 L N 0.772 122.063 121.223 0.115 0.000 2.473 913 L HA 0.126 4.468 4.340 0.002 0.000 0.265 913 L C -1.834 175.114 176.870 0.129 0.000 1.243 913 L CA -1.746 53.115 54.840 0.035 0.000 0.822 913 L CB -1.038 40.995 42.059 -0.043 0.000 1.101 913 L HN -0.157 nan 8.230 nan 0.000 0.507 914 P HA 0.093 nan 4.420 nan 0.000 0.271 914 P C -2.521 174.951 177.300 0.286 0.000 1.233 914 P CA -0.968 62.243 63.100 0.185 0.000 0.789 914 P CB -0.231 31.575 31.700 0.178 0.000 0.951 915 P HA 0.093 nan 4.420 nan 0.000 0.269 915 P C -0.721 176.581 177.300 0.003 0.000 1.209 915 P CA 0.812 63.905 63.100 -0.012 0.000 0.776 915 P CB 0.195 31.901 31.700 0.009 0.000 0.876 916 H N -0.772 118.101 119.070 -0.329 0.000 3.005 916 H HA 0.288 4.845 4.556 0.002 0.000 0.311 916 H C -1.586 173.381 175.328 -0.603 0.000 1.366 916 H CA -0.667 55.000 56.048 -0.636 0.000 1.210 916 H CB -0.107 28.903 29.762 -1.254 0.000 1.894 916 H HN 0.297 nan 8.280 nan 0.000 0.520 917 Y N 0.574 120.614 120.300 -0.434 0.000 2.352 917 Y HA 0.515 5.066 4.550 0.002 0.000 0.326 917 Y C 0.268 175.926 175.900 -0.403 0.000 1.166 917 Y CA -0.777 56.950 58.100 -0.622 0.000 1.182 917 Y CB 2.210 39.798 38.460 -1.452 0.000 1.216 917 Y HN 0.459 nan 8.280 nan 0.000 0.474 918 V N 0.889 120.836 119.914 0.055 0.000 2.733 918 V HA 0.236 4.357 4.120 0.002 0.000 0.306 918 V C -0.746 175.550 176.094 0.338 0.000 1.084 918 V CA -1.337 61.066 62.300 0.171 0.000 0.905 918 V CB 1.317 33.132 31.823 -0.014 0.000 1.010 918 V HN 0.933 nan 8.190 nan 0.000 0.424 919 C N 7.537 127.038 119.300 0.336 0.000 2.482 919 C HA 0.447 4.909 4.460 0.002 0.000 0.378 919 C C -0.413 174.612 174.990 0.058 0.000 1.284 919 C CA -1.012 58.102 59.018 0.160 0.000 1.826 919 C CB 0.609 28.377 27.740 0.046 0.000 2.473 919 C HN 0.865 nan 8.230 nan 0.000 0.562 920 P HA -0.044 nan 4.420 nan 0.000 0.242 920 P C 0.606 177.901 177.300 -0.008 0.000 1.197 920 P CA 1.165 64.264 63.100 -0.001 0.000 0.765 920 P CB -0.082 31.616 31.700 -0.004 0.000 0.936 921 N N -0.335 118.361 118.700 -0.007 0.000 2.742 921 N HA -0.034 4.707 4.740 0.002 0.000 0.233 921 N C 1.365 176.874 175.510 -0.002 0.000 1.033 921 N CA 0.573 53.615 53.050 -0.012 0.000 0.993 921 N CB 0.116 38.587 38.487 -0.028 0.000 1.544 921 N HN 0.105 nan 8.380 nan 0.000 0.459 922 C N 0.804 120.107 119.300 0.004 0.000 2.906 922 C HA 0.526 4.988 4.460 0.002 0.000 0.274 922 C C 0.987 176.015 174.990 0.063 0.000 1.257 922 C CA -0.064 58.967 59.018 0.022 0.000 1.695 922 C CB -0.617 27.126 27.740 0.005 0.000 1.958 922 C HN 0.482 nan 8.230 nan 0.000 0.619 923 K N -0.657 119.783 120.400 0.067 0.000 3.547 923 K HA -0.260 4.062 4.320 0.002 0.000 0.309 923 K C 0.114 176.804 176.600 0.150 0.000 1.324 923 K CA 1.578 57.914 56.287 0.081 0.000 0.988 923 K CB -2.784 29.760 32.500 0.074 0.000 1.261 923 K HN 0.950 nan 8.250 nan 0.000 0.444 924 H N 0.330 119.461 119.070 0.101 0.000 2.815 924 H HA 0.424 4.981 4.556 0.002 0.000 0.350 924 H C 0.071 175.540 175.328 0.234 0.000 1.080 924 H CA 0.862 56.998 56.048 0.148 0.000 1.433 924 H CB 0.655 30.486 29.762 0.115 0.000 1.432 924 H HN 0.223 nan 8.280 nan 0.000 0.592 925 S N 3.163 118.636 115.700 -0.378 0.000 2.599 925 S HA 0.514 4.985 4.470 0.002 0.000 0.287 925 S C -1.308 173.078 174.600 -0.355 0.000 1.105 925 S CA -1.137 56.935 58.200 -0.213 0.000 0.899 925 S CB 2.254 65.458 63.200 0.006 0.000 1.100 925 S HN 0.800 nan 8.310 nan 0.000 0.482 926 E N 0.801 120.808 120.200 -0.322 0.000 2.263 926 E HA 0.559 4.911 4.350 0.002 0.000 0.268 926 E C -1.764 174.426 176.600 -0.684 0.000 0.884 926 E CA -0.650 55.543 56.400 -0.346 0.000 0.766 926 E CB 1.227 30.805 29.700 -0.202 0.000 1.196 926 E HN 0.484 nan 8.360 nan 0.000 0.416 927 F N 1.374 120.967 119.950 -0.595 0.000 2.492 927 F HA 0.506 5.034 4.527 0.002 0.000 0.327 927 F C -0.453 174.904 175.800 -0.739 0.000 1.079 927 F CA -0.956 56.715 58.000 -0.548 0.000 0.967 927 F CB 1.283 40.098 39.000 -0.308 0.000 1.169 927 F HN 0.402 nan 8.300 nan 0.000 0.472 928 F N 1.427 121.460 119.950 0.137 0.000 2.382 928 F HA 0.365 4.894 4.527 0.002 0.000 0.361 928 F C 0.393 176.233 175.800 0.066 0.000 1.109 928 F CA -0.589 57.452 58.000 0.068 0.000 1.031 928 F CB 0.930 39.930 39.000 0.000 0.000 1.234 928 F HN 0.389 nan 8.300 nan 0.000 0.445 929 N N 1.177 119.989 118.700 0.187 0.000 2.230 929 N HA -0.038 4.703 4.740 0.002 0.000 0.202 929 N C 0.959 176.531 175.510 0.104 0.000 1.119 929 N CA 0.028 53.146 53.050 0.114 0.000 0.851 929 N CB 0.085 38.604 38.487 0.053 0.000 0.990 929 N HN 0.447 nan 8.380 nan 0.000 0.497 930 D N 0.215 120.696 120.400 0.135 0.000 2.228 930 D HA -0.130 4.512 4.640 0.002 0.000 0.203 930 D C 1.685 178.022 176.300 0.062 0.000 0.988 930 D CA 1.400 55.457 54.000 0.094 0.000 0.864 930 D CB -0.345 40.512 40.800 0.095 0.000 0.928 930 D HN 0.330 nan 8.370 nan 0.000 0.469 931 G N 0.344 109.184 108.800 0.066 0.000 2.184 931 G HA2 -0.392 3.570 3.960 0.002 0.000 0.264 931 G HA3 -0.392 3.570 3.960 0.002 0.000 0.264 931 G C 1.271 176.186 174.900 0.025 0.000 0.975 931 G CA 1.174 46.298 45.100 0.040 0.000 0.642 931 G HN 0.534 nan 8.290 nan 0.000 0.536 932 S N -1.278 114.436 115.700 0.023 0.000 2.428 932 S HA 0.338 4.809 4.470 0.002 0.000 0.230 932 S C 0.907 175.496 174.600 -0.018 0.000 1.014 932 S CA 1.068 59.267 58.200 -0.001 0.000 0.957 932 S CB 0.364 63.558 63.200 -0.010 0.000 0.784 932 S HN 0.956 nan 8.310 nan 0.000 0.499 933 V N 1.883 121.784 119.914 -0.021 0.000 2.370 933 V HA 0.614 4.735 4.120 0.002 0.000 0.283 933 V C 1.537 177.633 176.094 0.004 0.000 1.023 933 V CA -0.276 61.999 62.300 -0.042 0.000 0.857 933 V CB 1.029 32.776 31.823 -0.127 0.000 0.985 933 V HN 0.355 nan 8.190 nan 0.000 0.443 934 G N 3.110 111.920 108.800 0.017 0.000 2.394 934 G HA2 0.002 3.964 3.960 0.002 0.000 0.215 934 G HA3 0.002 3.964 3.960 0.002 0.000 0.215 934 G C 0.640 175.580 174.900 0.066 0.000 1.165 934 G CA 1.010 46.140 45.100 0.050 0.000 0.784 934 G HN 0.713 nan 8.290 nan 0.000 0.535 935 S N -1.932 113.799 115.700 0.052 0.000 2.536 935 S HA 0.520 4.992 4.470 0.002 0.000 0.271 935 S C 1.152 175.702 174.600 -0.084 0.000 1.134 935 S CA 0.384 58.590 58.200 0.009 0.000 0.897 935 S CB 1.382 64.682 63.200 0.167 0.000 1.094 935 S HN 0.358 nan 8.310 nan 0.000 0.473 936 G N 2.067 110.728 108.800 -0.231 0.000 2.462 936 G HA2 -0.091 3.870 3.960 0.002 0.000 0.220 936 G HA3 -0.091 3.870 3.960 0.002 0.000 0.220 936 G C 1.036 175.908 174.900 -0.048 0.000 1.121 936 G CA 0.536 45.492 45.100 -0.240 0.000 0.758 936 G HN 0.765 nan 8.290 nan 0.000 0.559 937 F N 0.706 120.476 119.950 -0.301 0.000 2.408 937 F HA -0.046 4.483 4.527 0.002 0.000 0.300 937 F C 1.947 177.668 175.800 -0.132 0.000 1.090 937 F CA 0.156 57.982 58.000 -0.290 0.000 1.427 937 F CB 0.217 38.853 39.000 -0.607 0.000 1.070 937 F HN 0.117 nan 8.300 nan 0.000 0.549 938 D N 0.540 121.000 120.400 0.099 0.000 2.347 938 D HA 0.059 4.700 4.640 0.002 0.000 0.213 938 D C 0.893 177.193 176.300 0.000 0.000 0.985 938 D CA 0.404 54.443 54.000 0.065 0.000 0.879 938 D CB 0.046 40.877 40.800 0.052 0.000 0.919 938 D HN 0.169 nan 8.370 nan 0.000 0.526 939 L N 2.176 123.367 121.223 -0.054 0.000 2.483 939 L HA 0.123 4.465 4.340 0.002 0.000 0.275 939 L C -1.937 174.964 176.870 0.050 0.000 1.220 939 L CA -1.352 53.447 54.840 -0.068 0.000 0.833 939 L CB -0.088 41.812 42.059 -0.266 0.000 1.102 939 L HN -0.150 nan 8.230 nan 0.000 0.490 940 P HA 0.131 nan 4.420 nan 0.000 0.279 940 P C -1.216 176.196 177.300 0.188 0.000 1.239 940 P CA -0.583 62.585 63.100 0.113 0.000 0.789 940 P CB 0.481 32.231 31.700 0.084 0.000 0.933 941 D N 1.487 121.960 120.400 0.122 0.000 2.548 941 D HA 0.095 4.737 4.640 0.002 0.000 0.231 941 D C 0.444 176.791 176.300 0.078 0.000 1.142 941 D CA 1.156 55.222 54.000 0.111 0.000 0.866 941 D CB 0.344 41.175 40.800 0.053 0.000 1.190 941 D HN 0.287 nan 8.370 nan 0.000 0.469 942 K N 0.854 121.279 120.400 0.042 0.000 2.568 942 K HA 0.287 4.609 4.320 0.002 0.000 0.273 942 K C -1.579 175.002 176.600 -0.031 0.000 0.951 942 K CA -0.732 55.526 56.287 -0.048 0.000 0.854 942 K CB 1.342 33.678 32.500 -0.273 0.000 1.424 942 K HN 0.451 nan 8.250 nan 0.000 0.427 943 N N 0.653 119.281 118.700 -0.119 0.000 2.456 943 N HA 0.259 5.000 4.740 0.002 0.000 0.296 943 N C -0.949 174.219 175.510 -0.570 0.000 1.102 943 N CA -0.723 52.167 53.050 -0.267 0.000 0.924 943 N CB 1.677 40.060 38.487 -0.173 0.000 1.186 943 N HN 0.429 nan 8.380 nan 0.000 0.492 944 C N 3.696 122.490 119.300 -0.843 0.000 2.662 944 C HA 0.132 4.594 4.460 0.002 0.000 0.402 944 C C -1.237 173.512 174.990 -0.401 0.000 1.397 944 C CA -1.433 57.050 59.018 -0.893 0.000 1.575 944 C CB -0.524 26.836 27.740 -0.633 0.000 2.406 944 C HN 0.638 nan 8.230 nan 0.000 0.609 945 P HA 0.043 nan 4.420 nan 0.000 0.269 945 P C 0.731 177.913 177.300 -0.197 0.000 1.461 945 P CA 0.748 63.745 63.100 -0.173 0.000 0.809 945 P CB -0.156 31.491 31.700 -0.089 0.000 1.503 946 R N -0.720 119.643 120.500 -0.229 0.000 2.493 946 R HA 0.101 4.442 4.340 0.002 0.000 0.177 946 R C 1.843 178.061 176.300 -0.136 0.000 0.861 946 R CA 0.966 56.950 56.100 -0.192 0.000 1.083 946 R CB -0.279 29.878 30.300 -0.238 0.000 1.328 946 R HN 0.293 nan 8.270 nan 0.000 0.615 947 C N -1.217 117.997 119.300 -0.142 0.000 2.926 947 C HA 0.489 4.950 4.460 0.002 0.000 0.272 947 C C 1.500 176.422 174.990 -0.112 0.000 1.249 947 C CA 0.326 59.280 59.018 -0.106 0.000 1.691 947 C CB 0.313 28.001 27.740 -0.087 0.000 1.983 947 C HN 0.727 nan 8.230 nan 0.000 0.615 948 G N 1.413 110.126 108.800 -0.146 0.000 2.284 948 G HA2 -0.245 3.717 3.960 0.002 0.000 0.247 948 G HA3 -0.245 3.717 3.960 0.002 0.000 0.247 948 G C 0.296 175.106 174.900 -0.151 0.000 1.012 948 G CA 0.784 45.803 45.100 -0.134 0.000 0.618 948 G HN 1.040 nan 8.290 nan 0.000 0.521 949 T N -0.678 113.782 114.554 -0.157 0.000 2.802 949 T HA 0.462 4.814 4.350 0.002 0.000 0.305 949 T C 0.354 174.950 174.700 -0.174 0.000 1.053 949 T CA 0.452 62.470 62.100 -0.137 0.000 1.058 949 T CB 1.613 70.419 68.868 -0.103 0.000 0.988 949 T HN 0.561 nan 8.240 nan 0.000 0.539 950 K N 1.079 121.417 120.400 -0.104 0.000 2.378 950 K HA 0.131 4.453 4.320 0.002 0.000 0.288 950 K C -0.791 175.804 176.600 -0.008 0.000 1.057 950 K CA -0.308 55.940 56.287 -0.066 0.000 0.971 950 K CB -0.294 32.188 32.500 -0.030 0.000 0.975 950 K HN 0.494 nan 8.250 nan 0.000 0.475 951 Y N 3.310 123.583 120.300 -0.045 0.000 2.683 951 Y HA 0.019 4.571 4.550 0.002 0.000 0.340 951 Y C 0.607 176.532 175.900 0.042 0.000 1.245 951 Y CA 0.420 58.519 58.100 -0.002 0.000 1.485 951 Y CB 0.580 39.008 38.460 -0.052 0.000 1.328 951 Y HN 0.485 nan 8.280 nan 0.000 0.603 952 K N 3.047 123.609 120.400 0.269 0.000 2.118 952 K HA 0.375 4.697 4.320 0.002 0.000 0.267 952 K C -0.871 175.775 176.600 0.077 0.000 0.991 952 K CA -0.627 55.727 56.287 0.112 0.000 0.916 952 K CB 0.759 33.285 32.500 0.043 0.000 1.041 952 K HN 0.449 nan 8.250 nan 0.000 0.455 953 K N 1.784 122.169 120.400 -0.025 0.000 2.259 953 K HA 0.508 4.829 4.320 0.002 0.000 0.249 953 K C -1.025 175.503 176.600 -0.121 0.000 0.942 953 K CA -1.032 55.176 56.287 -0.131 0.000 0.816 953 K CB 1.776 34.218 32.500 -0.096 0.000 1.155 953 K HN 0.490 nan 8.250 nan 0.000 0.428 954 D N -0.710 119.481 120.400 -0.347 0.000 2.808 954 D HA 0.424 5.065 4.640 0.002 0.000 0.294 954 D C -1.436 174.382 176.300 -0.804 0.000 1.278 954 D CA 0.473 54.252 54.000 -0.368 0.000 0.756 954 D CB 1.926 42.615 40.800 -0.184 0.000 1.271 954 D HN 0.674 nan 8.370 nan 0.000 0.425 955 G N 0.887 109.265 108.800 -0.703 0.000 3.445 955 G HA2 -0.028 3.933 3.960 0.002 0.000 0.686 955 G HA3 -0.028 3.933 3.960 0.002 0.000 0.686 955 G C -0.188 174.356 174.900 -0.592 0.000 1.113 955 G CA -0.347 44.511 45.100 -0.404 0.000 0.974 955 G HN 0.469 nan 8.290 nan 0.000 0.492 956 H N 1.452 120.475 119.070 -0.079 0.000 2.594 956 H HA 0.198 4.756 4.556 0.002 0.000 0.279 956 H C 0.903 176.237 175.328 0.010 0.000 1.042 956 H CA 0.382 56.387 56.048 -0.072 0.000 1.177 956 H CB 0.808 30.516 29.762 -0.090 0.000 1.524 956 H HN 0.736 nan 8.280 nan 0.000 0.537 957 D N 1.211 121.666 120.400 0.092 0.000 2.828 957 D HA -0.168 4.473 4.640 0.002 0.000 0.241 957 D C -0.663 175.700 176.300 0.105 0.000 1.142 957 D CA 0.319 54.374 54.000 0.092 0.000 0.755 957 D CB -1.586 39.264 40.800 0.083 0.000 1.014 957 D HN 0.428 nan 8.370 nan 0.000 0.420 958 I N 1.667 122.306 120.570 0.115 0.000 2.406 958 I HA 0.356 4.528 4.170 0.002 0.000 0.290 958 I C -1.832 174.356 176.117 0.119 0.000 0.999 958 I CA -1.964 59.407 61.300 0.118 0.000 1.124 958 I CB 1.979 40.056 38.000 0.127 0.000 1.289 958 I HN -0.068 nan 8.210 nan 0.000 0.441 959 P HA -0.030 nan 4.420 nan 0.000 0.271 959 P C 0.589 177.974 177.300 0.141 0.000 1.220 959 P CA -0.068 63.102 63.100 0.117 0.000 0.768 959 P CB 0.699 32.462 31.700 0.105 0.000 0.848 960 F N 4.146 124.088 119.950 -0.013 0.000 2.154 960 F HA -0.224 4.305 4.527 0.002 0.000 0.301 960 F C 1.681 177.460 175.800 -0.036 0.000 1.087 960 F CA 1.852 59.848 58.000 -0.007 0.000 1.274 960 F CB -0.430 38.548 39.000 -0.036 0.000 1.009 960 F HN 0.277 nan 8.300 nan 0.000 0.485 961 E N -0.494 119.560 120.200 -0.243 0.000 2.265 961 E HA -0.145 4.206 4.350 0.002 0.000 0.196 961 E C 2.100 178.529 176.600 -0.284 0.000 0.996 961 E CA 1.529 57.596 56.400 -0.556 0.000 0.832 961 E CB -0.576 28.549 29.700 -0.958 0.000 0.756 961 E HN 0.347 nan 8.360 nan 0.000 0.491 962 T N 0.281 114.808 114.554 -0.044 0.000 2.849 962 T HA -0.176 4.176 4.350 0.002 0.000 0.270 962 T C 1.343 176.088 174.700 0.075 0.000 1.066 962 T CA 1.062 63.224 62.100 0.103 0.000 1.130 962 T CB -0.270 68.658 68.868 0.099 0.000 0.864 962 T HN 0.245 nan 8.240 nan 0.000 0.481 963 F N 0.546 120.342 119.950 -0.258 0.000 2.092 963 F HA 0.230 4.758 4.527 0.002 0.000 0.286 963 F C 1.718 177.308 175.800 -0.350 0.000 1.116 963 F CA 0.947 58.772 58.000 -0.291 0.000 1.185 963 F CB 0.070 38.838 39.000 -0.386 0.000 1.034 963 F HN -0.068 nan 8.300 nan 0.000 0.479 964 L N 0.085 120.849 121.223 -0.765 0.000 2.585 964 L HA 0.322 4.664 4.340 0.002 0.000 0.226 964 L C 0.854 177.302 176.870 -0.704 0.000 1.113 964 L CA 0.324 54.680 54.840 -0.806 0.000 0.876 964 L CB -0.189 41.439 42.059 -0.719 0.000 1.072 964 L HN 0.574 nan 8.230 nan 0.000 0.468 965 G N -0.341 107.938 108.800 -0.869 0.000 2.693 965 G HA2 -0.327 3.634 3.960 0.002 0.000 0.226 965 G HA3 -0.327 3.634 3.960 0.002 0.000 0.226 965 G C -0.004 174.310 174.900 -0.977 0.000 1.354 965 G CA 0.135 44.340 45.100 -1.490 0.000 0.873 965 G HN 0.013 nan 8.290 nan 0.000 0.562 966 F N 0.216 119.762 119.950 -0.673 0.000 2.437 966 F HA 0.274 4.802 4.527 0.002 0.000 0.288 966 F C 2.628 178.321 175.800 -0.179 0.000 1.085 966 F CA 1.337 59.164 58.000 -0.288 0.000 1.430 966 F CB 0.086 38.969 39.000 -0.195 0.000 1.120 966 F HN 0.350 nan 8.300 nan 0.000 0.556 967 K N -0.086 120.289 120.400 -0.042 0.000 2.365 967 K HA 0.170 4.492 4.320 0.002 0.000 0.197 967 K C 1.413 177.925 176.600 -0.146 0.000 1.042 967 K CA 0.699 56.978 56.287 -0.014 0.000 0.987 967 K CB -0.155 32.346 32.500 0.002 0.000 0.779 967 K HN 0.312 nan 8.250 nan 0.000 0.484 968 G N 1.349 109.913 108.800 -0.393 0.000 2.179 968 G HA2 -0.356 3.605 3.960 0.002 0.000 0.257 968 G HA3 -0.356 3.605 3.960 0.002 0.000 0.257 968 G C 0.221 174.765 174.900 -0.594 0.000 1.010 968 G CA 0.747 45.290 45.100 -0.929 0.000 0.736 968 G HN 0.552 nan 8.290 nan 0.000 0.513 969 D N -0.013 120.232 120.400 -0.257 0.000 2.538 969 D HA 0.537 5.178 4.640 0.002 0.000 0.234 969 D C 0.620 176.906 176.300 -0.023 0.000 1.191 969 D CA 0.949 54.897 54.000 -0.086 0.000 0.828 969 D CB 0.072 40.867 40.800 -0.009 0.000 0.981 969 D HN 0.727 nan 8.370 nan 0.000 0.490 970 K N -0.024 120.337 120.400 -0.066 0.000 2.375 970 K HA 0.554 4.876 4.320 0.002 0.000 0.249 970 K C -1.392 175.219 176.600 0.019 0.000 0.942 970 K CA -0.655 55.645 56.287 0.023 0.000 0.806 970 K CB 2.742 35.288 32.500 0.078 0.000 1.227 970 K HN 0.083 nan 8.250 nan 0.000 0.430 971 V N 5.450 125.444 119.914 0.133 0.000 2.275 971 V HA 0.487 4.608 4.120 0.002 0.000 0.272 971 V C -2.452 173.747 176.094 0.175 0.000 1.028 971 V CA -1.811 60.616 62.300 0.212 0.000 0.810 971 V CB 0.923 32.895 31.823 0.249 0.000 1.043 971 V HN 0.749 nan 8.190 nan 0.000 0.453 972 P HA 0.489 nan 4.420 nan 0.000 0.279 972 P C -1.187 176.208 177.300 0.157 0.000 1.276 972 P CA -0.106 62.961 63.100 -0.056 0.000 0.801 972 P CB 1.415 32.745 31.700 -0.616 0.000 1.127 973 D N -0.882 119.626 120.400 0.181 0.000 2.650 973 D HA 0.460 5.102 4.640 0.002 0.000 0.255 973 D C -0.418 176.067 176.300 0.307 0.000 1.135 973 D CA -0.793 53.334 54.000 0.211 0.000 1.099 973 D CB 0.450 41.284 40.800 0.057 0.000 1.273 973 D HN 0.218 nan 8.370 nan 0.000 0.628 974 I N 0.143 120.833 120.570 0.201 0.000 2.406 974 I HA 0.243 4.414 4.170 0.002 0.000 0.290 974 I C -0.782 175.383 176.117 0.081 0.000 0.999 974 I CA -0.784 60.592 61.300 0.127 0.000 1.124 974 I CB 1.448 39.482 38.000 0.056 0.000 1.289 974 I HN 0.143 nan 8.210 nan 0.000 0.441 975 D N 7.659 128.099 120.400 0.066 0.000 2.256 975 D HA 0.475 5.117 4.640 0.002 0.000 0.240 975 D C -0.849 175.472 176.300 0.035 0.000 1.062 975 D CA -0.452 53.590 54.000 0.069 0.000 0.832 975 D CB 2.840 43.689 40.800 0.082 0.000 1.135 975 D HN 0.046 nan 8.370 nan 0.000 0.484 976 L N 2.468 123.722 121.223 0.052 0.000 2.385 976 L HA 0.270 4.611 4.340 0.002 0.000 0.273 976 L C -0.124 176.716 176.870 -0.050 0.000 0.990 976 L CA -0.730 54.064 54.840 -0.076 0.000 0.821 976 L CB 1.562 43.524 42.059 -0.162 0.000 1.279 976 L HN 0.199 nan 8.230 nan 0.000 0.412 977 N N 2.982 121.582 118.700 -0.166 0.000 2.602 977 N HA 0.346 5.087 4.740 0.002 0.000 0.238 977 N C -0.600 174.813 175.510 -0.161 0.000 1.084 977 N CA 0.028 53.023 53.050 -0.091 0.000 0.952 977 N CB 0.130 38.499 38.487 -0.197 0.000 1.244 977 N HN 0.253 nan 8.380 nan 0.000 0.512 978 F N -0.131 119.839 119.950 0.033 0.000 2.370 978 F HA 0.269 4.797 4.527 0.002 0.000 0.319 978 F C 1.586 177.422 175.800 0.060 0.000 1.129 978 F CA -0.754 57.269 58.000 0.039 0.000 1.109 978 F CB 0.666 39.706 39.000 0.067 0.000 1.262 978 F HN 0.138 nan 8.300 nan 0.000 0.534 979 S N 0.779 116.642 115.700 0.273 0.000 2.560 979 S HA 0.158 4.629 4.470 0.002 0.000 0.284 979 S C 1.346 176.039 174.600 0.155 0.000 1.327 979 S CA -0.154 58.173 58.200 0.211 0.000 1.055 979 S CB 0.842 64.220 63.200 0.296 0.000 0.868 979 S HN 0.847 nan 8.310 nan 0.000 0.506 980 G N 2.941 111.810 108.800 0.115 0.000 2.442 980 G HA2 -0.180 3.782 3.960 0.002 0.000 0.219 980 G HA3 -0.180 3.782 3.960 0.002 0.000 0.219 980 G C 1.179 176.097 174.900 0.030 0.000 1.141 980 G CA 0.897 46.034 45.100 0.061 0.000 0.763 980 G HN 0.895 nan 8.290 nan 0.000 0.554 981 E N -0.976 119.260 120.200 0.059 0.000 2.118 981 E HA -0.187 4.164 4.350 0.002 0.000 0.195 981 E C 1.982 178.524 176.600 -0.098 0.000 0.992 981 E CA 1.150 57.569 56.400 0.032 0.000 0.804 981 E CB -0.171 29.627 29.700 0.164 0.000 0.741 981 E HN 0.661 nan 8.360 nan 0.000 0.458 982 Y N 0.793 120.890 120.300 -0.339 0.000 2.507 982 Y HA 0.026 4.577 4.550 0.002 0.000 0.263 982 Y C 2.337 178.030 175.900 -0.344 0.000 1.093 982 Y CA 0.369 58.169 58.100 -0.500 0.000 1.285 982 Y CB 0.318 38.268 38.460 -0.851 0.000 1.115 982 Y HN -0.087 nan 8.280 nan 0.000 0.533 983 Q N 0.855 120.542 119.800 -0.188 0.000 2.082 983 Q HA -0.241 4.101 4.340 0.002 0.000 0.211 983 Q C -0.838 174.831 176.000 -0.552 0.000 1.002 983 Q CA 2.755 58.342 55.803 -0.359 0.000 0.868 983 Q CB -0.966 27.624 28.738 -0.246 0.000 0.931 983 Q HN 0.327 nan 8.270 nan 0.000 0.414 984 P HA -0.154 nan 4.420 nan 0.000 0.218 984 P C 0.545 177.695 177.300 -0.250 0.000 1.148 984 P CA 1.539 64.520 63.100 -0.199 0.000 0.822 984 P CB -0.134 31.509 31.700 -0.094 0.000 0.784 985 R N -0.588 119.592 120.500 -0.534 0.000 2.115 985 R HA 0.075 4.416 4.340 0.002 0.000 0.226 985 R C 2.333 178.340 176.300 -0.488 0.000 1.100 985 R CA 1.179 56.929 56.100 -0.584 0.000 0.980 985 R CB -0.918 28.802 30.300 -0.967 0.000 0.875 985 R HN 0.129 nan 8.270 nan 0.000 0.445 986 A N 0.655 123.081 122.820 -0.657 0.000 1.902 986 A HA -0.204 4.117 4.320 0.002 0.000 0.217 986 A C 1.661 179.161 177.584 -0.140 0.000 1.181 986 A CA 1.425 53.209 52.037 -0.421 0.000 0.623 986 A CB -0.795 17.570 19.000 -1.059 0.000 0.818 986 A HN 0.396 nan 8.150 nan 0.000 0.443 987 H N -0.373 118.580 119.070 -0.195 0.000 2.265 987 H HA -0.151 4.406 4.556 0.002 0.000 0.295 987 H C 2.051 177.530 175.328 0.252 0.000 1.084 987 H CA 1.234 57.258 56.048 -0.040 0.000 1.261 987 H CB 0.008 29.694 29.762 -0.127 0.000 1.360 987 H HN 0.424 nan 8.280 nan 0.000 0.487 988 N N 0.296 119.212 118.700 0.360 0.000 2.205 988 N HA -0.185 4.557 4.740 0.002 0.000 0.186 988 N C 1.692 177.339 175.510 0.227 0.000 1.015 988 N CA 0.848 54.059 53.050 0.268 0.000 0.862 988 N CB -0.505 38.051 38.487 0.115 0.000 0.986 988 N HN 0.385 nan 8.380 nan 0.000 0.429 989 Y N 2.122 122.451 120.300 0.048 0.000 2.333 989 Y HA -0.177 4.375 4.550 0.002 0.000 0.290 989 Y C 2.487 178.441 175.900 0.091 0.000 1.144 989 Y CA 1.526 59.651 58.100 0.041 0.000 1.228 989 Y CB -0.792 37.680 38.460 0.021 0.000 0.985 989 Y HN 0.186 nan 8.280 nan 0.000 0.542 990 T N -2.802 111.833 114.554 0.136 0.000 2.951 990 T HA -0.132 4.219 4.350 0.002 0.000 0.268 990 T C 1.862 176.667 174.700 0.175 0.000 1.073 990 T CA 1.279 63.472 62.100 0.155 0.000 1.134 990 T CB -0.249 68.778 68.868 0.264 0.000 0.884 990 T HN 0.298 nan 8.240 nan 0.000 0.479 991 K N 0.637 121.115 120.400 0.130 0.000 2.057 991 K HA -0.009 4.312 4.320 0.002 0.000 0.207 991 K C 2.324 178.914 176.600 -0.016 0.000 1.049 991 K CA 1.345 57.629 56.287 -0.005 0.000 0.931 991 K CB -0.426 31.980 32.500 -0.157 0.000 0.714 991 K HN 0.255 nan 8.250 nan 0.000 0.440 992 V N 1.853 121.759 119.914 -0.013 0.000 2.307 992 V HA -0.221 3.900 4.120 0.002 0.000 0.245 992 V C 2.225 178.253 176.094 -0.110 0.000 1.045 992 V CA 1.540 63.823 62.300 -0.028 0.000 1.024 992 V CB -0.443 31.421 31.823 0.069 0.000 0.651 992 V HN 0.260 nan 8.190 nan 0.000 0.449 993 L N -1.647 119.430 121.223 -0.243 0.000 2.056 993 L HA -0.098 4.243 4.340 0.002 0.000 0.207 993 L C 2.217 178.880 176.870 -0.345 0.000 1.078 993 L CA 1.709 56.326 54.840 -0.372 0.000 0.749 993 L CB -0.373 41.333 42.059 -0.589 0.000 0.901 993 L HN 0.277 nan 8.230 nan 0.000 0.433 994 F N -0.666 119.227 119.950 -0.095 0.000 2.717 994 F HA 0.363 4.891 4.527 0.002 0.000 0.295 994 F C 1.200 176.962 175.800 -0.063 0.000 1.117 994 F CA 0.334 58.295 58.000 -0.065 0.000 1.361 994 F CB 0.441 39.405 39.000 -0.061 0.000 1.112 994 F HN 0.055 nan 8.300 nan 0.000 0.594 995 G N 0.823 109.672 108.800 0.081 0.000 2.907 995 G HA2 -0.208 3.753 3.960 0.002 0.000 0.686 995 G HA3 -0.208 3.753 3.960 0.002 0.000 0.686 995 G C 0.294 175.169 174.900 -0.043 0.000 1.115 995 G CA -0.252 44.857 45.100 0.014 0.000 0.760 995 G HN 0.222 nan 8.290 nan 0.000 0.620 996 E N 0.018 120.160 120.200 -0.098 0.000 2.147 996 E HA -0.174 4.177 4.350 0.002 0.000 0.199 996 E C 1.482 177.926 176.600 -0.261 0.000 1.005 996 E CA 1.822 58.105 56.400 -0.195 0.000 0.810 996 E CB 0.114 29.711 29.700 -0.172 0.000 0.736 996 E HN 0.501 nan 8.360 nan 0.000 0.460 997 D N -0.786 119.516 120.400 -0.164 0.000 2.340 997 D HA 0.038 4.680 4.640 0.002 0.000 0.217 997 D C 0.279 176.512 176.300 -0.112 0.000 1.081 997 D CA 0.156 54.069 54.000 -0.146 0.000 0.842 997 D CB 0.168 40.963 40.800 -0.009 0.000 0.934 997 D HN 0.190 nan 8.370 nan 0.000 0.511 998 N N 0.433 119.049 118.700 -0.139 0.000 2.187 998 N HA 0.053 4.794 4.740 0.002 0.000 0.212 998 N C 0.147 175.543 175.510 -0.190 0.000 1.152 998 N CA 0.112 53.117 53.050 -0.075 0.000 0.872 998 N CB 2.247 40.738 38.487 0.006 0.000 1.025 998 N HN 0.050 nan 8.380 nan 0.000 0.514 999 V N -1.933 117.776 119.914 -0.341 0.000 2.925 999 V HA 0.672 4.793 4.120 0.002 0.000 0.311 999 V C -1.570 174.256 176.094 -0.447 0.000 1.104 999 V CA -0.878 61.270 62.300 -0.255 0.000 0.954 999 V CB 1.670 33.456 31.823 -0.062 0.000 1.022 999 V HN -0.052 nan 8.190 nan 0.000 0.427 1000 Y N 1.158 121.490 120.300 0.052 0.000 2.504 1000 Y HA 0.742 5.293 4.550 0.002 0.000 0.344 1000 Y C 0.034 175.873 175.900 -0.101 0.000 1.023 1000 Y CA -0.821 57.334 58.100 0.092 0.000 1.020 1000 Y CB 2.132 40.568 38.460 -0.039 0.000 1.282 1000 Y HN 0.879 nan 8.280 nan 0.000 0.454 1001 R N 2.068 122.562 120.500 -0.010 0.000 2.442 1001 R HA 0.644 4.985 4.340 0.002 0.000 0.291 1001 R C -0.368 175.850 176.300 -0.137 0.000 1.069 1001 R CA -0.060 55.836 56.100 -0.341 0.000 1.022 1001 R CB 0.434 30.459 30.300 -0.459 0.000 0.976 1001 R HN 0.790 nan 8.270 nan 0.000 0.443 1002 A N 3.507 126.206 122.820 -0.203 0.000 2.546 1002 A HA 0.381 4.702 4.320 0.002 0.000 0.243 1002 A C 0.469 178.071 177.584 0.030 0.000 1.063 1002 A CA 0.403 52.391 52.037 -0.082 0.000 0.757 1002 A CB -0.040 18.831 19.000 -0.216 0.000 0.991 1002 A HN 0.868 nan 8.150 nan 0.000 0.503 1003 G N 0.922 109.754 108.800 0.054 0.000 2.451 1003 G HA2 0.572 4.533 3.960 0.002 0.000 0.303 1003 G HA3 0.572 4.533 3.960 0.002 0.000 0.303 1003 G C 0.078 175.029 174.900 0.084 0.000 1.166 1003 G CA 0.329 45.459 45.100 0.050 0.000 0.884 1003 G HN 1.277 nan 8.290 nan 0.000 0.514 1004 T N -1.954 112.634 114.554 0.056 0.000 2.916 1004 T HA 0.655 5.007 4.350 0.002 0.000 0.292 1004 T C -0.686 174.025 174.700 0.019 0.000 1.055 1004 T CA -0.705 61.425 62.100 0.051 0.000 1.009 1004 T CB 1.743 70.634 68.868 0.039 0.000 1.118 1004 T HN 0.219 nan 8.240 nan 0.000 0.497 1005 I N 1.757 122.336 120.570 0.015 0.000 2.339 1005 I HA 0.523 4.694 4.170 0.002 0.000 0.290 1005 I C 0.886 177.013 176.117 0.016 0.000 0.994 1005 I CA -0.293 61.010 61.300 0.005 0.000 1.191 1005 I CB 1.498 39.494 38.000 -0.006 0.000 1.343 1005 I HN 0.981 nan 8.210 nan 0.000 0.458 1006 G N 4.568 113.382 108.800 0.024 0.000 2.356 1006 G HA2 0.506 4.467 3.960 0.002 0.000 0.300 1006 G HA3 0.506 4.467 3.960 0.002 0.000 0.300 1006 G C 0.045 174.967 174.900 0.036 0.000 1.107 1006 G CA -0.250 44.867 45.100 0.028 0.000 0.960 1006 G HN 0.574 nan 8.290 nan 0.000 0.418 1007 T N -1.071 113.499 114.554 0.026 0.000 2.948 1007 T HA 0.566 4.918 4.350 0.002 0.000 0.285 1007 T C -0.073 174.641 174.700 0.023 0.000 1.019 1007 T CA -0.801 61.318 62.100 0.031 0.000 1.013 1007 T CB 1.757 70.636 68.868 0.019 0.000 1.117 1007 T HN 0.216 nan 8.240 nan 0.000 0.533 1008 V N 1.935 121.867 119.914 0.030 0.000 2.427 1008 V HA 0.567 4.689 4.120 0.002 0.000 0.268 1008 V C 0.828 176.906 176.094 -0.027 0.000 1.046 1008 V CA -0.266 62.034 62.300 -0.000 0.000 0.970 1008 V CB -0.353 31.495 31.823 0.042 0.000 1.001 1008 V HN 1.216 nan 8.190 nan 0.000 0.476 1009 A N 3.738 126.532 122.820 -0.043 0.000 2.352 1009 A HA 0.516 4.838 4.320 0.002 0.000 0.299 1009 A C 1.091 178.658 177.584 -0.029 0.000 1.160 1009 A CA -0.471 51.548 52.037 -0.030 0.000 0.933 1009 A CB 0.360 19.349 19.000 -0.018 0.000 1.387 1009 A HN 0.690 nan 8.150 nan 0.000 0.487 1010 D N 0.093 120.505 120.400 0.019 0.000 2.160 1010 D HA -0.190 4.451 4.640 0.002 0.000 0.189 1010 D C 1.676 178.067 176.300 0.150 0.000 1.003 1010 D CA 2.114 56.180 54.000 0.110 0.000 0.846 1010 D CB -0.171 40.731 40.800 0.169 0.000 0.949 1010 D HN 0.592 nan 8.370 nan 0.000 0.446 1011 K N -0.197 120.245 120.400 0.071 0.000 2.074 1011 K HA -0.111 4.211 4.320 0.002 0.000 0.209 1011 K C 2.222 178.799 176.600 -0.038 0.000 1.048 1011 K CA 1.518 57.828 56.287 0.038 0.000 0.926 1011 K CB -0.280 32.214 32.500 -0.009 0.000 0.713 1011 K HN 0.138 nan 8.250 nan 0.000 0.444 1012 T N 0.987 115.452 114.554 -0.150 0.000 2.777 1012 T HA -0.105 4.247 4.350 0.002 0.000 0.266 1012 T C 2.035 176.391 174.700 -0.573 0.000 1.040 1012 T CA 1.233 63.088 62.100 -0.408 0.000 1.141 1012 T CB -0.243 68.355 68.868 -0.450 0.000 0.868 1012 T HN 0.329 nan 8.240 nan 0.000 0.444 1013 A N 0.711 123.350 122.820 -0.301 0.000 1.865 1013 A HA -0.107 4.215 4.320 0.002 0.000 0.217 1013 A C 2.065 179.578 177.584 -0.119 0.000 1.191 1013 A CA 1.488 53.406 52.037 -0.199 0.000 0.623 1013 A CB -1.185 17.709 19.000 -0.176 0.000 0.826 1013 A HN 0.530 nan 8.150 nan 0.000 0.444 1014 Y N 0.240 120.505 120.300 -0.058 0.000 2.165 1014 Y HA -0.130 4.422 4.550 0.002 0.000 0.286 1014 Y C 2.798 178.707 175.900 0.014 0.000 1.155 1014 Y CA 1.147 59.243 58.100 -0.006 0.000 1.164 1014 Y CB -0.890 37.563 38.460 -0.011 0.000 0.978 1014 Y HN 0.340 nan 8.280 nan 0.000 0.513 1015 G N -0.329 108.533 108.800 0.104 0.000 2.459 1015 G HA2 -0.272 3.689 3.960 0.002 0.000 0.217 1015 G HA3 -0.272 3.689 3.960 0.002 0.000 0.217 1015 G C 1.458 176.491 174.900 0.222 0.000 1.183 1015 G CA 1.108 46.261 45.100 0.089 0.000 0.776 1015 G HN 0.262 nan 8.290 nan 0.000 0.552 1016 F N 0.796 120.806 119.950 0.100 0.000 2.126 1016 F HA -0.069 4.459 4.527 0.002 0.000 0.299 1016 F C 2.929 178.801 175.800 0.119 0.000 1.096 1016 F CA 0.264 58.327 58.000 0.106 0.000 1.255 1016 F CB -1.094 37.948 39.000 0.069 0.000 0.997 1016 F HN -0.007 nan 8.300 nan 0.000 0.479 1017 V N -0.111 119.968 119.914 0.273 0.000 2.307 1017 V HA -0.268 3.853 4.120 0.002 0.000 0.245 1017 V C 2.302 178.525 176.094 0.215 0.000 1.045 1017 V CA 1.747 64.158 62.300 0.185 0.000 1.024 1017 V CB -0.638 31.227 31.823 0.071 0.000 0.651 1017 V HN 0.238 nan 8.190 nan 0.000 0.449 1018 K N 0.504 121.023 120.400 0.198 0.000 2.009 1018 K HA -0.169 4.153 4.320 0.002 0.000 0.210 1018 K C 2.356 179.057 176.600 0.169 0.000 1.049 1018 K CA 1.640 58.028 56.287 0.168 0.000 0.929 1018 K CB -0.586 32.003 32.500 0.148 0.000 0.714 1018 K HN 0.444 nan 8.250 nan 0.000 0.440 1019 A N 0.934 123.877 122.820 0.204 0.000 1.892 1019 A HA -0.257 4.064 4.320 0.002 0.000 0.218 1019 A C 2.125 179.819 177.584 0.182 0.000 1.188 1019 A CA 1.771 53.928 52.037 0.200 0.000 0.631 1019 A CB -1.016 18.137 19.000 0.254 0.000 0.822 1019 A HN 0.472 nan 8.150 nan 0.000 0.447 1020 Y N 0.580 120.922 120.300 0.069 0.000 2.165 1020 Y HA -0.161 4.391 4.550 0.003 0.000 0.286 1020 Y C 2.650 178.561 175.900 0.019 0.000 1.155 1020 Y CA 1.439 59.494 58.100 -0.074 0.000 1.164 1020 Y CB -0.514 37.889 38.460 -0.096 0.000 0.978 1020 Y HN 0.342 nan 8.280 nan 0.000 0.513 1021 A N -0.920 121.973 122.820 0.122 0.000 1.845 1021 A HA -0.226 4.095 4.320 0.002 0.000 0.215 1021 A C 2.496 180.073 177.584 -0.011 0.000 1.195 1021 A CA 2.039 54.098 52.037 0.036 0.000 0.616 1021 A CB -1.591 17.463 19.000 0.090 0.000 0.832 1021 A HN 0.492 nan 8.150 nan 0.000 0.443 1022 S N -0.190 115.523 115.700 0.022 0.000 2.368 1022 S HA -0.235 4.237 4.470 0.002 0.000 0.226 1022 S C 1.659 176.239 174.600 -0.034 0.000 1.044 1022 S CA 1.950 60.156 58.200 0.010 0.000 1.062 1022 S CB -0.639 62.585 63.200 0.041 0.000 0.931 1022 S HN 0.589 nan 8.310 nan 0.000 0.440 1023 D N -0.147 120.216 120.400 -0.061 0.000 2.263 1023 D HA -0.060 4.581 4.640 0.002 0.000 0.208 1023 D C 1.203 177.330 176.300 -0.288 0.000 0.971 1023 D CA 0.938 54.857 54.000 -0.135 0.000 0.867 1023 D CB -0.316 40.427 40.800 -0.095 0.000 0.929 1023 D HN 0.577 nan 8.370 nan 0.000 0.492 1024 H N -0.206 118.693 119.070 -0.286 0.000 2.520 1024 H HA 0.132 4.689 4.556 0.002 0.000 0.284 1024 H C -0.004 175.221 175.328 -0.172 0.000 1.037 1024 H CA -0.175 55.696 56.048 -0.295 0.000 1.168 1024 H CB 0.121 29.575 29.762 -0.514 0.000 1.497 1024 H HN -0.010 nan 8.280 nan 0.000 0.547 1025 N N 0.973 119.652 118.700 -0.034 0.000 2.702 1025 N HA -0.190 4.551 4.740 0.002 0.000 0.255 1025 N C -1.211 174.295 175.510 -0.006 0.000 0.983 1025 N CA 0.118 53.158 53.050 -0.017 0.000 0.768 1025 N CB -0.679 37.796 38.487 -0.019 0.000 0.918 1025 N HN 0.107 nan 8.380 nan 0.000 0.540 1026 L N 0.716 121.934 121.223 -0.007 0.000 2.289 1026 L HA 0.322 4.663 4.340 0.002 0.000 0.285 1026 L C 0.550 177.425 176.870 0.009 0.000 1.049 1026 L CA -0.229 54.609 54.840 -0.004 0.000 0.804 1026 L CB 1.200 43.251 42.059 -0.014 0.000 1.195 1026 L HN 0.120 nan 8.230 nan 0.000 0.428 1027 E N 5.277 125.483 120.200 0.010 0.000 2.081 1027 E HA 0.418 4.769 4.350 0.002 0.000 0.276 1027 E C -0.872 175.739 176.600 0.020 0.000 0.950 1027 E CA -0.354 56.055 56.400 0.015 0.000 0.776 1027 E CB 1.679 31.386 29.700 0.011 0.000 1.094 1027 E HN 0.429 nan 8.360 nan 0.000 0.402 1028 L N 2.248 123.489 121.223 0.030 0.000 2.330 1028 L HA 0.492 4.834 4.340 0.002 0.000 0.271 1028 L C 0.790 177.682 176.870 0.037 0.000 1.013 1028 L CA -1.079 53.781 54.840 0.034 0.000 0.816 1028 L CB 1.482 43.568 42.059 0.044 0.000 1.287 1028 L HN 0.237 nan 8.230 nan 0.000 0.435 1029 R N 0.588 121.110 120.500 0.037 0.000 2.643 1029 R HA 0.064 4.406 4.340 0.002 0.000 0.270 1029 R C 1.258 177.594 176.300 0.061 0.000 1.061 1029 R CA 0.413 56.537 56.100 0.041 0.000 1.107 1029 R CB 0.428 30.752 30.300 0.040 0.000 0.999 1029 R HN 0.918 nan 8.270 nan 0.000 0.460 1030 G N 1.728 110.561 108.800 0.055 0.000 2.599 1030 G HA2 -0.403 3.559 3.960 0.002 0.000 0.219 1030 G HA3 -0.403 3.559 3.960 0.002 0.000 0.219 1030 G C 1.405 176.381 174.900 0.127 0.000 1.193 1030 G CA 1.190 46.337 45.100 0.079 0.000 0.778 1030 G HN 0.708 nan 8.290 nan 0.000 0.589 1031 A N 0.515 123.408 122.820 0.121 0.000 1.986 1031 A HA -0.089 4.233 4.320 0.002 0.000 0.220 1031 A C 2.207 179.938 177.584 0.245 0.000 1.171 1031 A CA 2.397 54.552 52.037 0.197 0.000 0.640 1031 A CB -0.390 18.690 19.000 0.134 0.000 0.811 1031 A HN 0.485 nan 8.150 nan 0.000 0.451 1032 E N -0.122 120.158 120.200 0.134 0.000 2.216 1032 E HA -0.006 4.346 4.350 0.002 0.000 0.192 1032 E C 1.619 178.247 176.600 0.047 0.000 0.988 1032 E CA 0.814 57.256 56.400 0.071 0.000 0.834 1032 E CB -0.340 29.386 29.700 0.043 0.000 0.772 1032 E HN 0.636 nan 8.360 nan 0.000 0.479 1033 I N 0.908 121.531 120.570 0.087 0.000 2.252 1033 I HA -0.224 3.947 4.170 0.002 0.000 0.245 1033 I C 1.570 177.714 176.117 0.044 0.000 1.102 1033 I CA 1.160 62.514 61.300 0.090 0.000 1.385 1033 I CB -0.212 37.889 38.000 0.170 0.000 1.064 1033 I HN 0.098 nan 8.210 nan 0.000 0.414 1034 D N 0.937 121.429 120.400 0.154 0.000 2.104 1034 D HA -0.224 4.417 4.640 0.002 0.000 0.194 1034 D C 2.192 178.428 176.300 -0.108 0.000 0.994 1034 D CA 1.564 55.649 54.000 0.143 0.000 0.830 1034 D CB -0.289 40.728 40.800 0.362 0.000 0.959 1034 D HN 0.376 nan 8.370 nan 0.000 0.452 1035 R N 1.081 121.461 120.500 -0.200 0.000 2.090 1035 R HA 0.009 4.350 4.340 0.002 0.000 0.228 1035 R C 2.333 178.525 176.300 -0.181 0.000 1.110 1035 R CA 0.845 56.643 56.100 -0.504 0.000 0.973 1035 R CB -1.138 28.570 30.300 -0.988 0.000 0.869 1035 R HN 0.171 nan 8.270 nan 0.000 0.440 1036 L N 0.676 121.857 121.223 -0.071 0.000 2.046 1036 L HA -0.065 4.276 4.340 0.002 0.000 0.208 1036 L C 2.757 179.597 176.870 -0.051 0.000 1.077 1036 L CA 1.428 56.294 54.840 0.044 0.000 0.747 1036 L CB -0.842 41.199 42.059 -0.031 0.000 0.896 1036 L HN 0.444 nan 8.230 nan 0.000 0.432 1037 A N 0.401 123.074 122.820 -0.246 0.000 1.873 1037 A HA -0.279 4.042 4.320 0.002 0.000 0.218 1037 A C 2.498 179.902 177.584 -0.301 0.000 1.193 1037 A CA 2.189 53.965 52.037 -0.436 0.000 0.629 1037 A CB -0.949 17.378 19.000 -1.123 0.000 0.826 1037 A HN 0.420 nan 8.150 nan 0.000 0.447 1038 A N -1.067 121.590 122.820 -0.273 0.000 2.070 1038 A HA 0.177 4.499 4.320 0.002 0.000 0.220 1038 A C 2.150 179.561 177.584 -0.288 0.000 1.159 1038 A CA 1.731 53.637 52.037 -0.219 0.000 0.656 1038 A CB -0.970 17.921 19.000 -0.182 0.000 0.800 1038 A HN 0.834 nan 8.150 nan 0.000 0.453 1039 G N -2.209 106.347 108.800 -0.407 0.000 2.880 1039 G HA2 0.051 4.013 3.960 0.002 0.000 0.209 1039 G HA3 0.051 4.013 3.960 0.002 0.000 0.209 1039 G C 1.063 175.627 174.900 -0.559 0.000 1.157 1039 G CA 1.001 45.545 45.100 -0.927 0.000 0.779 1039 G HN 0.512 nan 8.290 nan 0.000 0.539 1040 C N 1.095 120.262 119.300 -0.223 0.000 2.780 1040 C HA 0.231 4.692 4.460 0.002 0.000 0.267 1040 C C 1.738 176.699 174.990 -0.049 0.000 1.266 1040 C CA 0.103 59.083 59.018 -0.063 0.000 1.709 1040 C CB -0.739 27.028 27.740 0.045 0.000 1.975 1040 C HN 0.468 nan 8.230 nan 0.000 0.582 1041 T N -1.400 113.097 114.554 -0.095 0.000 2.899 1041 T HA 0.463 4.815 4.350 0.002 0.000 0.295 1041 T C 1.253 175.927 174.700 -0.044 0.000 1.033 1041 T CA 0.759 62.823 62.100 -0.059 0.000 1.084 1041 T CB 1.100 69.930 68.868 -0.064 0.000 0.979 1041 T HN 0.957 nan 8.240 nan 0.000 0.532 1042 G N 0.598 109.388 108.800 -0.018 0.000 2.217 1042 G HA2 -0.235 3.726 3.960 0.002 0.000 0.246 1042 G HA3 -0.235 3.726 3.960 0.002 0.000 0.246 1042 G C 0.093 175.002 174.900 0.016 0.000 0.990 1042 G CA -0.105 44.991 45.100 -0.007 0.000 0.627 1042 G HN 1.071 nan 8.290 nan 0.000 0.522 1043 V N 2.085 122.018 119.914 0.032 0.000 2.614 1043 V HA 0.384 4.506 4.120 0.002 0.000 0.291 1043 V C 1.043 177.180 176.094 0.072 0.000 1.049 1043 V CA 0.017 62.353 62.300 0.061 0.000 1.038 1043 V CB 1.628 33.501 31.823 0.082 0.000 0.980 1043 V HN 0.488 nan 8.190 nan 0.000 0.481 1044 K N 4.110 124.555 120.400 0.076 0.000 2.350 1044 K HA 0.217 4.538 4.320 0.002 0.000 0.279 1044 K C 0.789 177.448 176.600 0.098 0.000 1.027 1044 K CA -0.225 56.108 56.287 0.076 0.000 0.969 1044 K CB 0.576 33.118 32.500 0.070 0.000 0.954 1044 K HN 0.729 nan 8.250 nan 0.000 0.474 1045 R N 1.851 122.410 120.500 0.097 0.000 2.342 1045 R HA 0.083 4.425 4.340 0.002 0.000 0.204 1045 R C -0.330 176.032 176.300 0.103 0.000 0.882 1045 R CA 0.748 56.918 56.100 0.117 0.000 1.041 1045 R CB 0.524 30.912 30.300 0.146 0.000 1.188 1045 R HN 0.802 nan 8.270 nan 0.000 0.598 1046 T N -2.304 112.300 114.554 0.082 0.000 2.711 1046 T HA 0.471 4.823 4.350 0.002 0.000 0.302 1046 T C -0.604 174.129 174.700 0.055 0.000 1.373 1046 T CA -0.317 61.828 62.100 0.074 0.000 1.000 1046 T CB 1.617 70.525 68.868 0.067 0.000 1.483 1046 T HN 0.152 nan 8.240 nan 0.000 0.499 1047 T N -2.247 112.338 114.554 0.051 0.000 2.916 1047 T HA 0.928 5.279 4.350 0.002 0.000 0.292 1047 T C 0.252 174.974 174.700 0.035 0.000 1.064 1047 T CA -0.276 61.843 62.100 0.033 0.000 1.011 1047 T CB 1.575 70.458 68.868 0.026 0.000 1.152 1047 T HN 1.503 nan 8.240 nan 0.000 0.510 1048 G N -0.281 108.537 108.800 0.030 0.000 2.753 1048 G HA2 0.596 4.557 3.960 0.002 0.000 0.303 1048 G HA3 0.596 4.557 3.960 0.002 0.000 0.303 1048 G C -1.971 172.949 174.900 0.035 0.000 1.242 1048 G CA -0.904 44.215 45.100 0.032 0.000 0.810 1048 G HN 0.798 nan 8.290 nan 0.000 0.515 1049 Q N 0.184 120.003 119.800 0.031 0.000 2.340 1049 Q HA 0.291 4.632 4.340 0.002 0.000 0.268 1049 Q C -0.810 175.219 176.000 0.049 0.000 1.031 1049 Q CA -0.900 54.923 55.803 0.033 0.000 0.804 1049 Q CB 2.388 31.134 28.738 0.013 0.000 1.286 1049 Q HN 0.656 nan 8.270 nan 0.000 0.448 1050 H N 3.715 122.761 119.070 -0.040 0.000 3.016 1050 H HA -0.017 4.541 4.556 0.003 0.000 0.345 1050 H C -1.765 173.538 175.328 -0.042 0.000 1.066 1050 H CA -0.604 55.423 56.048 -0.035 0.000 1.390 1050 H CB 0.983 30.705 29.762 -0.067 0.000 1.344 1050 H HN 0.417 nan 8.280 nan 0.000 0.605 1051 P HA 0.078 nan 4.420 nan 0.000 0.242 1051 P C 0.476 177.877 177.300 0.168 0.000 1.197 1051 P CA 1.395 64.510 63.100 0.025 0.000 0.765 1051 P CB 0.484 32.155 31.700 -0.049 0.000 0.936 1052 G N -2.495 106.520 108.800 0.358 0.000 4.554 1052 G HA2 0.076 4.037 3.960 0.002 0.000 0.210 1052 G HA3 0.076 4.037 3.960 0.002 0.000 0.210 1052 G C 0.444 175.374 174.900 0.050 0.000 0.674 1052 G CA -0.004 45.249 45.100 0.255 0.000 0.801 1052 G HN 0.383 nan 8.290 nan 0.000 0.555 1053 G N 1.233 109.888 108.800 -0.242 0.000 2.343 1053 G HA2 0.459 4.421 3.960 0.002 0.000 0.254 1053 G HA3 0.459 4.421 3.960 0.002 0.000 0.254 1053 G C -0.174 174.394 174.900 -0.553 0.000 1.277 1053 G CA 0.063 44.781 45.100 -0.636 0.000 0.909 1053 G HN 0.148 nan 8.290 nan 0.000 0.502 1054 I N 3.796 124.109 120.570 -0.428 0.000 2.339 1054 I HA 0.242 4.413 4.170 0.002 0.000 0.290 1054 I C -0.071 175.848 176.117 -0.330 0.000 0.994 1054 I CA -1.080 59.972 61.300 -0.412 0.000 1.191 1054 I CB 1.528 39.319 38.000 -0.350 0.000 1.343 1054 I HN 0.213 nan 8.210 nan 0.000 0.458 1055 I N 7.116 127.522 120.570 -0.272 0.000 2.325 1055 I HA 0.176 4.347 4.170 0.002 0.000 0.291 1055 I C 0.305 176.279 176.117 -0.237 0.000 1.019 1055 I CA -0.547 60.622 61.300 -0.218 0.000 1.302 1055 I CB 1.469 39.398 38.000 -0.118 0.000 1.401 1055 I HN 0.258 nan 8.210 nan 0.000 0.485 1056 V N 7.600 127.318 119.914 -0.326 0.000 2.407 1056 V HA 0.502 4.623 4.120 0.002 0.000 0.278 1056 V C -0.231 175.649 176.094 -0.358 0.000 1.037 1056 V CA -0.384 61.628 62.300 -0.480 0.000 0.900 1056 V CB 1.664 33.007 31.823 -0.801 0.000 0.983 1056 V HN 0.370 nan 8.190 nan 0.000 0.459 1057 V N 8.250 127.993 119.914 -0.285 0.000 2.383 1057 V HA 0.400 4.521 4.120 0.002 0.000 0.275 1057 V C -1.970 174.014 176.094 -0.183 0.000 1.036 1057 V CA -1.620 60.555 62.300 -0.209 0.000 0.889 1057 V CB 1.059 32.840 31.823 -0.071 0.000 0.985 1057 V HN 0.874 nan 8.190 nan 0.000 0.459 1058 P HA 0.047 nan 4.420 nan 0.000 0.268 1058 P C 0.375 177.538 177.300 -0.228 0.000 1.208 1058 P CA -0.069 62.872 63.100 -0.264 0.000 0.777 1058 P CB 0.516 31.843 31.700 -0.621 0.000 0.875 1059 D N 0.922 121.290 120.400 -0.054 0.000 2.363 1059 D HA -0.166 4.475 4.640 0.002 0.000 0.220 1059 D C 0.973 177.317 176.300 0.074 0.000 0.994 1059 D CA 1.203 55.228 54.000 0.043 0.000 0.890 1059 D CB -0.794 40.080 40.800 0.124 0.000 0.906 1059 D HN 0.590 nan 8.370 nan 0.000 0.530 1060 Y N -1.912 118.448 120.300 0.100 0.000 2.458 1060 Y HA 0.415 4.966 4.550 0.002 0.000 0.256 1060 Y C 0.889 176.846 175.900 0.094 0.000 1.159 1060 Y CA -0.868 57.289 58.100 0.094 0.000 1.261 1060 Y CB -0.059 38.462 38.460 0.102 0.000 1.119 1060 Y HN -0.217 nan 8.280 nan 0.000 0.524 1061 M N 1.333 120.807 119.600 -0.210 0.000 2.768 1061 M HA 0.410 4.892 4.480 0.002 0.000 0.274 1061 M C -0.407 175.879 176.300 -0.022 0.000 1.076 1061 M CA -0.745 54.500 55.300 -0.092 0.000 0.928 1061 M CB 1.582 34.123 32.600 -0.098 0.000 1.596 1061 M HN 0.339 nan 8.290 nan 0.000 0.546 1062 E N -0.621 119.585 120.200 0.011 0.000 2.413 1062 E HA 0.337 4.688 4.350 0.002 0.000 0.277 1062 E C 0.007 176.602 176.600 -0.009 0.000 0.958 1062 E CA -0.688 55.716 56.400 0.006 0.000 0.779 1062 E CB 1.845 31.573 29.700 0.047 0.000 1.278 1062 E HN 0.377 nan 8.360 nan 0.000 0.456 1063 I N 1.130 121.576 120.570 -0.207 0.000 2.264 1063 I HA -0.242 3.929 4.170 0.002 0.000 0.248 1063 I C 1.237 177.197 176.117 -0.263 0.000 1.111 1063 I CA 1.502 62.612 61.300 -0.316 0.000 1.382 1063 I CB -0.384 37.127 38.000 -0.816 0.000 1.060 1063 I HN 0.603 nan 8.210 nan 0.000 0.418 1064 Y N 0.203 120.484 120.300 -0.031 0.000 2.639 1064 Y HA -0.116 4.436 4.550 0.002 0.000 0.297 1064 Y C 2.066 177.947 175.900 -0.032 0.000 1.151 1064 Y CA 0.689 58.793 58.100 0.006 0.000 1.335 1064 Y CB -1.074 37.374 38.460 -0.019 0.000 0.994 1064 Y HN 0.233 nan 8.280 nan 0.000 0.548 1065 D N -0.998 119.317 120.400 -0.143 0.000 2.371 1065 D HA -0.053 4.588 4.640 0.002 0.000 0.221 1065 D C 0.918 176.770 176.300 -0.746 0.000 0.986 1065 D CA 1.093 54.755 54.000 -0.563 0.000 0.899 1065 D CB 0.003 40.204 40.800 -0.997 0.000 0.902 1065 D HN 0.367 nan 8.370 nan 0.000 0.530 1066 F N -0.916 119.085 119.950 0.084 0.000 2.496 1066 F HA 0.154 4.683 4.527 0.002 0.000 0.274 1066 F C 0.989 176.892 175.800 0.172 0.000 0.924 1066 F CA -0.095 57.973 58.000 0.112 0.000 1.147 1066 F CB 0.675 39.659 39.000 -0.026 0.000 0.969 1066 F HN -0.301 nan 8.300 nan 0.000 0.749 1067 T N -0.077 114.508 114.554 0.052 0.000 2.830 1067 T HA 0.452 4.804 4.350 0.002 0.000 0.322 1067 T C -3.099 171.196 174.700 -0.676 0.000 1.501 1067 T CA -1.801 59.919 62.100 -0.633 0.000 1.036 1067 T CB 1.704 70.290 68.868 -0.470 0.000 1.379 1067 T HN -0.356 nan 8.240 nan 0.000 0.493 1068 P HA 0.518 nan 4.420 nan 0.000 0.274 1068 P C -0.623 176.378 177.300 -0.497 0.000 1.256 1068 P CA -0.521 62.210 63.100 -0.616 0.000 0.795 1068 P CB 0.350 31.530 31.700 -0.866 0.000 1.038 1069 I N -2.323 118.023 120.570 -0.372 0.000 3.206 1069 I HA 0.776 4.947 4.170 0.002 0.000 0.313 1069 I C -0.663 175.279 176.117 -0.291 0.000 1.103 1069 I CA -1.140 59.961 61.300 -0.332 0.000 0.985 1069 I CB 2.192 39.970 38.000 -0.369 0.000 1.240 1069 I HN 0.505 nan 8.210 nan 0.000 0.464 1070 Q N 0.706 120.354 119.800 -0.254 0.000 2.890 1070 Q HA 0.413 4.754 4.340 0.002 0.000 0.332 1070 Q C -2.152 173.693 176.000 -0.258 0.000 0.784 1070 Q CA -0.961 54.688 55.803 -0.255 0.000 0.880 1070 Q CB 0.964 29.563 28.738 -0.232 0.000 1.367 1070 Q HN 0.628 nan 8.270 nan 0.000 0.491 1071 Y N 0.639 120.926 120.300 -0.021 0.000 2.420 1071 Y HA 0.554 5.106 4.550 0.002 0.000 0.334 1071 Y C -2.268 173.616 175.900 -0.026 0.000 1.094 1071 Y CA -2.470 55.614 58.100 -0.027 0.000 1.126 1071 Y CB 1.324 39.737 38.460 -0.077 0.000 1.217 1071 Y HN 0.393 nan 8.280 nan 0.000 0.462 1072 P HA 0.113 nan 4.420 nan 0.000 0.271 1072 P C 0.080 177.420 177.300 0.066 0.000 1.220 1072 P CA 0.725 63.882 63.100 0.094 0.000 0.768 1072 P CB 1.090 32.841 31.700 0.086 0.000 0.848 1073 A N 3.726 126.575 122.820 0.049 0.000 2.910 1073 A HA -0.251 4.070 4.320 0.002 0.000 0.267 1073 A C 0.705 178.286 177.584 -0.006 0.000 1.310 1073 A CA 1.382 53.440 52.037 0.035 0.000 0.934 1073 A CB -2.596 16.423 19.000 0.033 0.000 1.057 1073 A HN 0.580 nan 8.150 nan 0.000 0.742 1074 D N -1.331 119.051 120.400 -0.029 0.000 2.775 1074 D HA -0.153 4.489 4.640 0.002 0.000 0.235 1074 D C -0.401 175.749 176.300 -0.250 0.000 1.120 1074 D CA 1.809 55.668 54.000 -0.235 0.000 0.708 1074 D CB -1.197 39.369 40.800 -0.389 0.000 1.084 1074 D HN 0.939 nan 8.370 nan 0.000 0.434 1075 D N 0.272 120.582 120.400 -0.149 0.000 2.412 1075 D HA 0.187 4.828 4.640 0.002 0.000 0.224 1075 D C 1.322 177.331 176.300 -0.485 0.000 1.093 1075 D CA -0.106 53.770 54.000 -0.206 0.000 0.850 1075 D CB 0.796 41.524 40.800 -0.121 0.000 1.046 1075 D HN 0.058 nan 8.370 nan 0.000 0.507 1076 T N -0.016 114.263 114.554 -0.458 0.000 3.072 1076 T HA -0.119 4.233 4.350 0.002 0.000 0.266 1076 T C 1.520 175.815 174.700 -0.674 0.000 1.127 1076 T CA 0.876 62.553 62.100 -0.705 0.000 1.107 1076 T CB -0.152 68.593 68.868 -0.206 0.000 0.910 1076 T HN 0.304 nan 8.240 nan 0.000 0.513 1077 S N 0.450 115.893 115.700 -0.428 0.000 2.556 1077 S HA 0.242 4.714 4.470 0.002 0.000 0.216 1077 S C 0.861 175.316 174.600 -0.242 0.000 0.970 1077 S CA -0.437 57.601 58.200 -0.269 0.000 0.912 1077 S CB -0.304 62.807 63.200 -0.148 0.000 0.790 1077 S HN 0.378 nan 8.310 nan 0.000 0.504 1078 S N 1.237 116.734 115.700 -0.339 0.000 2.552 1078 S HA 0.087 4.559 4.470 0.002 0.000 0.289 1078 S C 1.113 175.695 174.600 -0.029 0.000 1.304 1078 S CA -0.195 57.932 58.200 -0.122 0.000 1.063 1078 S CB 0.438 63.621 63.200 -0.028 0.000 0.848 1078 S HN 0.590 nan 8.310 nan 0.000 0.499 1079 E N 2.666 122.885 120.200 0.032 0.000 2.153 1079 E HA -0.092 4.260 4.350 0.002 0.000 0.194 1079 E C -0.562 175.966 176.600 -0.119 0.000 0.988 1079 E CA 0.999 57.377 56.400 -0.038 0.000 0.811 1079 E CB 0.161 29.870 29.700 0.014 0.000 0.746 1079 E HN 0.687 nan 8.360 nan 0.000 0.466 1080 W N 0.536 121.862 121.300 0.043 0.000 2.632 1080 W HA 0.339 5.000 4.660 0.002 0.000 0.328 1080 W C 0.005 176.606 176.519 0.136 0.000 1.044 1080 W CA -0.810 56.559 57.345 0.040 0.000 1.225 1080 W CB 1.055 30.498 29.460 -0.027 0.000 1.396 1080 W HN -0.290 nan 8.180 nan 0.000 0.499 1081 R N 1.158 121.855 120.500 0.329 0.000 2.490 1081 R HA 0.486 4.828 4.340 0.002 0.000 0.278 1081 R C 0.306 176.768 176.300 0.270 0.000 1.069 1081 R CA -0.232 55.999 56.100 0.218 0.000 1.080 1081 R CB 0.701 31.070 30.300 0.115 0.000 1.030 1081 R HN 0.450 nan 8.270 nan 0.000 0.491 1082 T N -1.873 112.756 114.554 0.125 0.000 2.940 1082 T HA 0.307 4.658 4.350 0.002 0.000 0.288 1082 T C 0.241 174.923 174.700 -0.031 0.000 1.033 1082 T CA -1.087 61.056 62.100 0.073 0.000 1.033 1082 T CB 1.590 70.485 68.868 0.045 0.000 1.079 1082 T HN 0.620 nan 8.240 nan 0.000 0.496 1083 T N -1.050 113.476 114.554 -0.048 0.000 2.919 1083 T HA 0.150 4.501 4.350 0.002 0.000 0.302 1083 T C 0.915 175.542 174.700 -0.122 0.000 1.031 1083 T CA -0.162 61.858 62.100 -0.132 0.000 1.127 1083 T CB 0.596 69.417 68.868 -0.078 0.000 0.952 1083 T HN 0.809 nan 8.240 nan 0.000 0.540 1084 H N 2.209 121.060 119.070 -0.366 0.000 2.363 1084 H HA 0.218 4.776 4.556 0.002 0.000 0.301 1084 H C 0.171 175.391 175.328 -0.180 0.000 1.074 1084 H CA 0.648 56.460 56.048 -0.392 0.000 1.354 1084 H CB -0.122 29.243 29.762 -0.662 0.000 1.397 1084 H HN 0.668 nan 8.280 nan 0.000 0.516 1085 F N 1.658 121.504 119.950 -0.173 0.000 2.418 1085 F HA 0.113 4.641 4.527 0.002 0.000 0.341 1085 F C 0.745 176.509 175.800 -0.060 0.000 1.120 1085 F CA -1.033 56.886 58.000 -0.135 0.000 1.232 1085 F CB 0.592 39.539 39.000 -0.089 0.000 1.175 1085 F HN 0.329 nan 8.300 nan 0.000 0.569 1086 D N 1.306 121.816 120.400 0.183 0.000 2.377 1086 D HA -0.027 4.615 4.640 0.002 0.000 0.245 1086 D C 0.675 177.112 176.300 0.230 0.000 1.196 1086 D CA -0.485 53.625 54.000 0.183 0.000 0.962 1086 D CB 0.366 41.265 40.800 0.166 0.000 1.127 1086 D HN 0.443 nan 8.370 nan 0.000 0.471 1087 F N -0.164 119.871 119.950 0.140 0.000 2.216 1087 F HA -0.217 4.312 4.527 0.002 0.000 0.300 1087 F C 2.038 177.933 175.800 0.158 0.000 1.085 1087 F CA 1.662 59.725 58.000 0.105 0.000 1.326 1087 F CB -0.435 38.619 39.000 0.089 0.000 1.027 1087 F HN 0.599 nan 8.300 nan 0.000 0.497 1088 H N -0.368 118.666 119.070 -0.060 0.000 2.353 1088 H HA -0.125 4.432 4.556 0.003 0.000 0.300 1088 H C 2.048 177.281 175.328 -0.159 0.000 1.090 1088 H CA 1.736 57.690 56.048 -0.157 0.000 1.327 1088 H CB -0.157 29.600 29.762 -0.008 0.000 1.383 1088 H HN 0.303 nan 8.280 nan 0.000 0.508 1089 S N 0.753 116.381 115.700 -0.119 0.000 2.419 1089 S HA -0.100 4.372 4.470 0.002 0.000 0.233 1089 S C 1.952 176.462 174.600 -0.150 0.000 1.016 1089 S CA 1.339 59.440 58.200 -0.166 0.000 0.974 1089 S CB -0.153 62.952 63.200 -0.158 0.000 0.786 1089 S HN 0.687 nan 8.310 nan 0.000 0.492 1090 I N -2.338 118.150 120.570 -0.135 0.000 4.009 1090 I HA 0.343 4.514 4.170 0.002 0.000 0.331 1090 I C 1.553 177.576 176.117 -0.158 0.000 1.462 1090 I CA -0.289 60.983 61.300 -0.047 0.000 1.117 1090 I CB -0.334 37.715 38.000 0.083 0.000 1.091 1090 I HN 0.060 nan 8.210 nan 0.000 0.410 1091 H N 2.914 121.657 119.070 -0.545 0.000 2.407 1091 H HA -0.228 4.329 4.556 0.002 0.000 0.293 1091 H C 0.609 175.805 175.328 -0.219 0.000 1.122 1091 H CA 2.424 58.045 56.048 -0.712 0.000 1.232 1091 H CB 0.205 29.543 29.762 -0.707 0.000 1.361 1091 H HN 0.468 nan 8.280 nan 0.000 0.498 1092 D N -0.820 119.623 120.400 0.073 0.000 2.363 1092 D HA 0.025 4.667 4.640 0.002 0.000 0.214 1092 D C 1.218 177.585 176.300 0.111 0.000 1.093 1092 D CA -0.070 54.009 54.000 0.131 0.000 0.837 1092 D CB 0.128 40.992 40.800 0.107 0.000 0.948 1092 D HN 0.401 nan 8.370 nan 0.000 0.507 1093 N N -0.171 118.581 118.700 0.087 0.000 2.454 1093 N HA 0.125 4.866 4.740 0.002 0.000 0.177 1093 N C 0.321 175.817 175.510 -0.024 0.000 1.049 1093 N CA 0.336 53.472 53.050 0.144 0.000 0.887 1093 N CB 1.601 40.222 38.487 0.224 0.000 1.095 1093 N HN 0.155 nan 8.380 nan 0.000 0.446 1094 L N 1.122 122.276 121.223 -0.115 0.000 2.422 1094 L HA 0.437 4.779 4.340 0.002 0.000 0.264 1094 L C -0.486 176.326 176.870 -0.097 0.000 0.984 1094 L CA -0.669 54.049 54.840 -0.204 0.000 0.819 1094 L CB 2.831 44.681 42.059 -0.349 0.000 1.330 1094 L HN -0.171 nan 8.230 nan 0.000 0.410 1095 L N 2.400 123.533 121.223 -0.149 0.000 2.452 1095 L HA 0.313 4.655 4.340 0.002 0.000 0.267 1095 L C 0.064 176.850 176.870 -0.140 0.000 1.188 1095 L CA 0.094 54.852 54.840 -0.136 0.000 0.821 1095 L CB 0.663 42.597 42.059 -0.208 0.000 1.102 1095 L HN 0.530 nan 8.230 nan 0.000 0.470 1096 K N 2.870 123.190 120.400 -0.133 0.000 2.378 1096 K HA 0.520 4.841 4.320 0.002 0.000 0.252 1096 K C -1.434 175.067 176.600 -0.165 0.000 0.931 1096 K CA -0.674 55.459 56.287 -0.256 0.000 0.794 1096 K CB 1.485 33.645 32.500 -0.567 0.000 1.181 1096 K HN 0.478 nan 8.250 nan 0.000 0.425 1097 L N 3.691 124.817 121.223 -0.162 0.000 2.262 1097 L HA 0.238 4.579 4.340 0.002 0.000 0.288 1097 L C -0.511 176.315 176.870 -0.074 0.000 1.035 1097 L CA -0.706 54.104 54.840 -0.051 0.000 0.820 1097 L CB 1.205 43.274 42.059 0.017 0.000 1.204 1097 L HN 0.552 nan 8.230 nan 0.000 0.424 1098 D N 4.675 125.060 120.400 -0.025 0.000 2.483 1098 D HA 0.261 4.903 4.640 0.002 0.000 0.220 1098 D C 0.063 176.440 176.300 0.129 0.000 1.173 1098 D CA 0.132 54.140 54.000 0.012 0.000 0.964 1098 D CB 0.475 41.292 40.800 0.028 0.000 1.046 1098 D HN 0.302 nan 8.370 nan 0.000 0.517 1099 I N 4.471 125.141 120.570 0.168 0.000 2.268 1099 I HA 0.136 4.308 4.170 0.002 0.000 0.290 1099 I C 0.308 176.546 176.117 0.201 0.000 1.125 1099 I CA -0.292 61.159 61.300 0.252 0.000 1.236 1099 I CB 0.253 38.340 38.000 0.145 0.000 1.469 1099 I HN 0.050 nan 8.210 nan 0.000 0.512 1100 L N 4.191 125.564 121.223 0.251 0.000 2.416 1100 L HA 0.686 5.028 4.340 0.002 0.000 0.262 1100 L C 0.823 177.811 176.870 0.196 0.000 1.093 1100 L CA -0.683 54.272 54.840 0.192 0.000 0.801 1100 L CB 1.104 43.274 42.059 0.186 0.000 1.191 1100 L HN 0.464 nan 8.230 nan 0.000 0.459 1101 G N -1.166 107.725 108.800 0.151 0.000 2.400 1101 G HA2 0.569 4.531 3.960 0.002 0.000 0.333 1101 G HA3 0.569 4.531 3.960 0.002 0.000 0.333 1101 G C -1.789 173.230 174.900 0.198 0.000 1.143 1101 G CA -0.088 45.099 45.100 0.145 0.000 0.914 1101 G HN 0.708 nan 8.290 nan 0.000 0.480 1102 H N -0.209 118.897 119.070 0.059 0.000 3.064 1102 H HA 0.317 4.874 4.556 0.003 0.000 0.352 1102 H C -0.292 175.042 175.328 0.010 0.000 1.260 1102 H CA -0.585 55.480 56.048 0.030 0.000 1.160 1102 H CB 2.268 32.039 29.762 0.015 0.000 1.879 1102 H HN 0.369 nan 8.280 nan 0.000 0.544 1103 D N 1.324 121.617 120.400 -0.179 0.000 2.305 1103 D HA -0.043 4.598 4.640 0.002 0.000 0.206 1103 D C 0.847 177.182 176.300 0.058 0.000 0.974 1103 D CA 0.509 54.471 54.000 -0.064 0.000 0.871 1103 D CB 0.262 40.964 40.800 -0.163 0.000 0.947 1103 D HN 0.519 nan 8.370 nan 0.000 0.516 1104 D N 0.476 121.045 120.400 0.282 0.000 2.092 1104 D HA -0.104 4.537 4.640 0.002 0.000 0.193 1104 D C -0.793 175.549 176.300 0.070 0.000 0.994 1104 D CA 1.109 55.207 54.000 0.164 0.000 0.828 1104 D CB -1.226 39.635 40.800 0.101 0.000 0.963 1104 D HN 0.209 nan 8.370 nan 0.000 0.450 1105 P HA -0.072 nan 4.420 nan 0.000 0.215 1105 P C 1.280 178.609 177.300 0.048 0.000 1.153 1105 P CA 1.721 64.841 63.100 0.032 0.000 0.853 1105 P CB -0.061 31.660 31.700 0.036 0.000 0.788 1106 T N -0.864 113.738 114.554 0.079 0.000 2.746 1106 T HA -0.106 4.245 4.350 0.002 0.000 0.267 1106 T C 1.876 176.574 174.700 -0.004 0.000 1.039 1106 T CA 1.156 63.296 62.100 0.067 0.000 1.142 1106 T CB -1.141 67.775 68.868 0.081 0.000 0.866 1106 T HN -0.109 nan 8.240 nan 0.000 0.444 1107 V N 1.975 121.879 119.914 -0.018 0.000 2.261 1107 V HA -0.121 4.001 4.120 0.002 0.000 0.246 1107 V C 2.378 178.416 176.094 -0.093 0.000 1.047 1107 V CA 1.832 64.096 62.300 -0.060 0.000 1.015 1107 V CB -0.573 31.220 31.823 -0.049 0.000 0.642 1107 V HN 0.596 nan 8.190 nan 0.000 0.446 1108 I N -0.287 120.246 120.570 -0.062 0.000 2.676 1108 I HA -0.158 4.014 4.170 0.002 0.000 0.259 1108 I C 2.518 178.557 176.117 -0.129 0.000 1.194 1108 I CA 1.503 62.741 61.300 -0.103 0.000 1.473 1108 I CB -0.289 37.706 38.000 -0.009 0.000 1.096 1108 I HN 0.191 nan 8.210 nan 0.000 0.443 1109 R N 1.101 121.545 120.500 -0.093 0.000 2.073 1109 R HA -0.221 4.120 4.340 0.002 0.000 0.234 1109 R C 2.415 178.630 176.300 -0.142 0.000 1.134 1109 R CA 2.378 58.409 56.100 -0.115 0.000 0.952 1109 R CB -0.440 29.788 30.300 -0.121 0.000 0.850 1109 R HN 0.540 nan 8.270 nan 0.000 0.433 1110 M N 0.010 119.529 119.600 -0.134 0.000 2.200 1110 M HA -0.116 4.365 4.480 0.002 0.000 0.265 1110 M C 1.461 177.643 176.300 -0.197 0.000 1.066 1110 M CA 1.224 56.446 55.300 -0.131 0.000 1.127 1110 M CB 0.046 32.592 32.600 -0.089 0.000 1.379 1110 M HN 0.240 nan 8.290 nan 0.000 0.420 1111 L N 0.943 121.979 121.223 -0.312 0.000 2.042 1111 L HA -0.249 4.093 4.340 0.002 0.000 0.210 1111 L C 2.491 179.071 176.870 -0.484 0.000 1.076 1111 L CA 2.030 56.506 54.840 -0.607 0.000 0.749 1111 L CB -1.572 39.799 42.059 -1.147 0.000 0.893 1111 L HN 0.576 nan 8.230 nan 0.000 0.432 1112 Q N -0.732 118.903 119.800 -0.274 0.000 2.083 1112 Q HA -0.177 4.164 4.340 0.002 0.000 0.198 1112 Q C 1.250 177.205 176.000 -0.076 0.000 0.969 1112 Q CA 1.390 57.136 55.803 -0.095 0.000 0.838 1112 Q CB 0.163 28.873 28.738 -0.047 0.000 0.900 1112 Q HN 0.363 nan 8.270 nan 0.000 0.436 1113 D N 0.102 120.443 120.400 -0.100 0.000 2.392 1113 D HA -0.039 4.603 4.640 0.002 0.000 0.228 1113 D C 1.183 177.447 176.300 -0.060 0.000 1.003 1113 D CA 0.653 54.607 54.000 -0.077 0.000 0.917 1113 D CB 0.287 41.034 40.800 -0.090 0.000 0.890 1113 D HN 0.308 nan 8.370 nan 0.000 0.532 1114 L N -0.659 120.523 121.223 -0.070 0.000 2.685 1114 L HA 0.054 4.396 4.340 0.002 0.000 0.235 1114 L C 1.813 178.663 176.870 -0.032 0.000 1.070 1114 L CA 0.387 55.197 54.840 -0.050 0.000 0.888 1114 L CB 0.301 42.323 42.059 -0.063 0.000 1.203 1114 L HN -0.009 nan 8.230 nan 0.000 0.499 1115 S N -1.688 113.995 115.700 -0.028 0.000 2.506 1115 S HA 0.182 4.654 4.470 0.002 0.000 0.219 1115 S C 1.508 176.109 174.600 0.002 0.000 1.031 1115 S CA 0.538 58.727 58.200 -0.019 0.000 0.911 1115 S CB 0.953 64.167 63.200 0.023 0.000 0.812 1115 S HN 0.389 nan 8.310 nan 0.000 0.497 1116 G N 1.418 110.224 108.800 0.009 0.000 2.162 1116 G HA2 -0.232 3.729 3.960 0.002 0.000 0.260 1116 G HA3 -0.232 3.729 3.960 0.002 0.000 0.260 1116 G C -0.018 174.899 174.900 0.028 0.000 0.976 1116 G CA 0.367 45.473 45.100 0.010 0.000 0.655 1116 G HN 0.599 nan 8.290 nan 0.000 0.533 1117 I N 1.174 121.788 120.570 0.074 0.000 2.342 1117 I HA 0.231 4.402 4.170 0.002 0.000 0.291 1117 I C 0.048 176.216 176.117 0.084 0.000 1.010 1117 I CA -0.672 60.679 61.300 0.086 0.000 1.308 1117 I CB 1.227 39.303 38.000 0.126 0.000 1.400 1117 I HN 0.038 nan 8.210 nan 0.000 0.488 1118 D N 9.817 130.230 120.400 0.021 0.000 2.359 1118 D HA 0.116 4.757 4.640 0.002 0.000 0.250 1118 D C -1.472 174.823 176.300 -0.009 0.000 1.264 1118 D CA -2.263 51.739 54.000 0.004 0.000 0.911 1118 D CB 1.099 41.888 40.800 -0.019 0.000 1.056 1118 D HN 0.217 nan 8.370 nan 0.000 0.499 1119 P HA -0.159 nan 4.420 nan 0.000 0.223 1119 P C 0.814 178.090 177.300 -0.039 0.000 1.144 1119 P CA 0.884 64.006 63.100 0.037 0.000 0.783 1119 P CB 0.251 32.017 31.700 0.110 0.000 0.771 1120 K N -0.376 119.999 120.400 -0.041 0.000 2.283 1120 K HA -0.051 4.270 4.320 0.002 0.000 0.202 1120 K C 1.812 178.350 176.600 -0.104 0.000 1.048 1120 K CA 1.753 58.005 56.287 -0.059 0.000 0.948 1120 K CB -0.585 31.891 32.500 -0.039 0.000 0.742 1120 K HN 0.329 nan 8.250 nan 0.000 0.458 1121 T N -1.240 113.240 114.554 -0.123 0.000 3.100 1121 T HA 0.157 4.508 4.350 0.002 0.000 0.253 1121 T C 0.897 175.455 174.700 -0.236 0.000 1.118 1121 T CA -0.210 61.798 62.100 -0.152 0.000 1.058 1121 T CB -0.238 68.554 68.868 -0.126 0.000 0.953 1121 T HN -0.040 nan 8.240 nan 0.000 0.515 1122 I N 3.550 123.933 120.570 -0.312 0.000 2.668 1122 I HA 0.185 4.357 4.170 0.002 0.000 0.285 1122 I C -2.063 173.876 176.117 -0.297 0.000 1.168 1122 I CA -1.917 59.098 61.300 -0.474 0.000 1.424 1122 I CB 0.424 38.093 38.000 -0.552 0.000 1.377 1122 I HN 0.102 nan 8.210 nan 0.000 0.560 1123 P HA 0.139 nan 4.420 nan 0.000 0.278 1123 P C 0.237 177.477 177.300 -0.099 0.000 1.238 1123 P CA -0.389 62.620 63.100 -0.152 0.000 0.794 1123 P CB 0.713 32.372 31.700 -0.069 0.000 0.955 1124 T N -3.023 111.440 114.554 -0.153 0.000 3.214 1124 T HA 0.168 4.520 4.350 0.002 0.000 0.264 1124 T C 0.086 174.814 174.700 0.047 0.000 1.012 1124 T CA -0.130 61.937 62.100 -0.055 0.000 0.901 1124 T CB -0.724 67.987 68.868 -0.261 0.000 1.070 1124 T HN 0.412 nan 8.240 nan 0.000 0.561 1125 D N -1.289 119.127 120.400 0.027 0.000 2.651 1125 D HA 0.085 4.727 4.640 0.002 0.000 0.280 1125 D C -0.326 176.010 176.300 0.060 0.000 1.496 1125 D CA -0.543 53.492 54.000 0.057 0.000 0.792 1125 D CB -0.572 40.253 40.800 0.042 0.000 1.144 1125 D HN 0.220 nan 8.370 nan 0.000 0.470 1126 D N 2.603 123.050 120.400 0.078 0.000 2.426 1126 D HA -0.015 4.626 4.640 0.002 0.000 0.261 1126 D C -1.021 175.329 176.300 0.084 0.000 1.245 1126 D CA -1.202 52.858 54.000 0.101 0.000 0.917 1126 D CB 1.617 42.525 40.800 0.180 0.000 1.123 1126 D HN 0.010 nan 8.370 nan 0.000 0.508 1127 P HA -0.131 nan 4.420 nan 0.000 0.218 1127 P C 0.584 177.896 177.300 0.020 0.000 1.148 1127 P CA 0.896 64.020 63.100 0.040 0.000 0.822 1127 P CB 0.444 32.161 31.700 0.028 0.000 0.784 1128 D N -0.700 119.704 120.400 0.007 0.000 2.194 1128 D HA -0.061 4.580 4.640 0.002 0.000 0.204 1128 D C 2.099 178.338 176.300 -0.101 0.000 0.964 1128 D CA 0.702 54.666 54.000 -0.060 0.000 0.846 1128 D CB -0.643 40.097 40.800 -0.100 0.000 0.962 1128 D HN 0.029 nan 8.370 nan 0.000 0.490 1129 V N 1.186 121.068 119.914 -0.053 0.000 2.283 1129 V HA -0.189 3.932 4.120 0.002 0.000 0.243 1129 V C 2.373 178.500 176.094 0.056 0.000 1.039 1129 V CA 1.103 63.378 62.300 -0.042 0.000 1.016 1129 V CB -0.362 31.506 31.823 0.075 0.000 0.650 1129 V HN 0.167 nan 8.190 nan 0.000 0.449 1130 M N 0.861 120.536 119.600 0.126 0.000 2.279 1130 M HA -0.050 4.431 4.480 0.002 0.000 0.264 1130 M C 2.251 178.650 176.300 0.165 0.000 1.062 1130 M CA 1.758 57.184 55.300 0.211 0.000 1.099 1130 M CB -1.856 30.815 32.600 0.119 0.000 1.394 1130 M HN 0.453 nan 8.290 nan 0.000 0.426 1131 G N 1.146 109.972 108.800 0.044 0.000 2.443 1131 G HA2 -0.127 3.834 3.960 0.002 0.000 0.219 1131 G HA3 -0.127 3.834 3.960 0.002 0.000 0.219 1131 G C 1.491 176.356 174.900 -0.057 0.000 1.131 1131 G CA 0.658 45.756 45.100 -0.002 0.000 0.775 1131 G HN 0.652 nan 8.290 nan 0.000 0.547 1132 I N -3.383 117.092 120.570 -0.157 0.000 3.001 1132 I HA 0.180 4.352 4.170 0.002 0.000 0.268 1132 I C 1.609 177.490 176.117 -0.393 0.000 1.267 1132 I CA 0.532 61.648 61.300 -0.308 0.000 1.472 1132 I CB -0.253 37.478 38.000 -0.448 0.000 1.089 1132 I HN -0.033 nan 8.210 nan 0.000 0.468 1133 F N 1.768 121.636 119.950 -0.138 0.000 2.811 1133 F HA 0.070 4.599 4.527 0.002 0.000 0.301 1133 F C 1.900 177.637 175.800 -0.105 0.000 1.151 1133 F CA 0.686 58.587 58.000 -0.164 0.000 1.412 1133 F CB -0.043 38.805 39.000 -0.254 0.000 1.113 1133 F HN 0.373 nan 8.300 nan 0.000 0.579 1134 S N -3.516 112.197 115.700 0.021 0.000 2.800 1134 S HA 0.314 4.786 4.470 0.002 0.000 0.266 1134 S C 0.137 174.728 174.600 -0.015 0.000 1.029 1134 S CA -0.013 58.195 58.200 0.013 0.000 1.302 1134 S CB 0.140 63.357 63.200 0.027 0.000 1.212 1134 S HN 0.034 nan 8.310 nan 0.000 0.683 1135 S N 0.600 116.273 115.700 -0.044 0.000 2.587 1135 S HA 0.524 4.996 4.470 0.002 0.000 0.269 1135 S C 0.417 174.975 174.600 -0.070 0.000 1.154 1135 S CA 0.262 58.434 58.200 -0.046 0.000 0.824 1135 S CB 1.158 64.336 63.200 -0.037 0.000 1.118 1135 S HN 0.566 nan 8.310 nan 0.000 0.462 1136 T N -0.209 114.311 114.554 -0.055 0.000 3.065 1136 T HA 0.213 4.565 4.350 0.002 0.000 0.252 1136 T C 1.279 175.943 174.700 -0.060 0.000 1.099 1136 T CA 0.957 63.021 62.100 -0.060 0.000 1.063 1136 T CB -0.203 68.641 68.868 -0.039 0.000 0.948 1136 T HN 0.549 nan 8.240 nan 0.000 0.506 1137 E N 2.777 122.945 120.200 -0.053 0.000 2.119 1137 E HA -0.134 4.218 4.350 0.002 0.000 0.221 1137 E C -0.788 175.772 176.600 -0.066 0.000 1.062 1137 E CA 2.289 58.658 56.400 -0.050 0.000 0.894 1137 E CB -1.213 28.461 29.700 -0.043 0.000 0.785 1137 E HN 0.456 nan 8.360 nan 0.000 0.472 1138 P HA -0.094 nan 4.420 nan 0.000 0.228 1138 P C 0.556 177.779 177.300 -0.128 0.000 1.151 1138 P CA 0.722 63.751 63.100 -0.118 0.000 0.770 1138 P CB 0.161 31.768 31.700 -0.154 0.000 0.786 1139 L N -2.116 119.046 121.223 -0.102 0.000 2.529 1139 L HA 0.325 4.666 4.340 0.002 0.000 0.223 1139 L C 1.640 178.487 176.870 -0.039 0.000 1.113 1139 L CA 1.035 55.830 54.840 -0.075 0.000 0.861 1139 L CB -1.536 40.489 42.059 -0.057 0.000 1.012 1139 L HN 0.115 nan 8.230 nan 0.000 0.461 1140 G N 0.137 108.910 108.800 -0.046 0.000 2.147 1140 G HA2 -0.179 3.783 3.960 0.002 0.000 0.244 1140 G HA3 -0.179 3.783 3.960 0.002 0.000 0.244 1140 G C 0.240 175.122 174.900 -0.030 0.000 1.005 1140 G CA 0.477 45.555 45.100 -0.037 0.000 0.713 1140 G HN 0.464 nan 8.290 nan 0.000 0.515 1141 V N -4.352 115.547 119.914 -0.024 0.000 3.160 1141 V HA 0.940 5.061 4.120 0.002 0.000 0.310 1141 V C 0.297 176.380 176.094 -0.018 0.000 1.181 1141 V CA -0.383 61.907 62.300 -0.018 0.000 1.047 1141 V CB 1.724 33.545 31.823 -0.005 0.000 1.068 1141 V HN 0.338 nan 8.190 nan 0.000 0.441 1142 T N 2.751 117.297 114.554 -0.014 0.000 2.913 1142 T HA 0.438 4.789 4.350 0.002 0.000 0.287 1142 T C -1.904 172.791 174.700 -0.008 0.000 1.008 1142 T CA -0.860 61.233 62.100 -0.012 0.000 1.067 1142 T CB 1.654 70.516 68.868 -0.010 0.000 0.996 1142 T HN 0.736 nan 8.240 nan 0.000 0.513 1143 P HA -0.110 nan 4.420 nan 0.000 0.216 1143 P C 1.375 178.675 177.300 0.000 0.000 1.150 1143 P CA 0.823 63.921 63.100 -0.005 0.000 0.837 1143 P CB 0.299 31.996 31.700 -0.004 0.000 0.786 1144 E N 0.120 120.320 120.200 -0.000 0.000 2.072 1144 E HA -0.202 4.149 4.350 0.002 0.000 0.191 1144 E C 2.107 178.709 176.600 0.003 0.000 0.985 1144 E CA 1.461 57.863 56.400 0.002 0.000 0.801 1144 E CB -0.863 28.837 29.700 0.001 0.000 0.750 1144 E HN 0.201 nan 8.360 nan 0.000 0.452 1145 Q N -0.343 119.457 119.800 0.001 0.000 2.112 1145 Q HA -0.144 4.198 4.340 0.002 0.000 0.206 1145 Q C 1.971 177.976 176.000 0.009 0.000 0.987 1145 Q CA 1.926 57.731 55.803 0.003 0.000 0.858 1145 Q CB -0.275 28.462 28.738 -0.002 0.000 0.905 1145 Q HN 0.622 nan 8.270 nan 0.000 0.420 1146 I N -4.344 116.232 120.570 0.010 0.000 3.974 1146 I HA 0.249 4.421 4.170 0.002 0.000 0.334 1146 I C -0.160 175.967 176.117 0.017 0.000 1.437 1146 I CA -0.340 60.971 61.300 0.018 0.000 1.113 1146 I CB 0.324 38.337 38.000 0.022 0.000 1.063 1146 I HN 0.063 nan 8.210 nan 0.000 0.400 1147 M N 0.866 120.474 119.600 0.013 0.000 2.360 1147 M HA -0.222 4.260 4.480 0.002 0.000 0.202 1147 M C -0.484 175.825 176.300 0.015 0.000 0.390 1147 M CA 0.438 55.747 55.300 0.015 0.000 0.470 1147 M CB -1.694 30.917 32.600 0.018 0.000 1.637 1147 M HN 0.727 nan 8.290 nan 0.000 0.885 1148 C N -0.465 118.841 119.300 0.010 0.000 3.292 1148 C HA 0.405 4.866 4.460 0.002 0.000 0.368 1148 C C 0.513 175.503 174.990 -0.001 0.000 1.141 1148 C CA -0.694 58.328 59.018 0.007 0.000 1.194 1148 C CB 1.574 29.318 27.740 0.007 0.000 1.533 1148 C HN 0.597 nan 8.230 nan 0.000 0.532 1149 N N 1.101 119.800 118.700 -0.002 0.000 2.322 1149 N HA 0.116 4.857 4.740 0.002 0.000 0.181 1149 N C 0.264 175.764 175.510 -0.017 0.000 1.088 1149 N CA 1.188 54.235 53.050 -0.006 0.000 0.885 1149 N CB 0.898 39.386 38.487 0.000 0.000 1.013 1149 N HN 0.818 nan 8.380 nan 0.000 0.472 1150 V N -3.398 116.502 119.914 -0.024 0.000 3.113 1150 V HA 0.845 4.966 4.120 0.002 0.000 0.316 1150 V C 0.917 176.967 176.094 -0.075 0.000 1.125 1150 V CA -0.828 61.444 62.300 -0.046 0.000 1.026 1150 V CB 1.407 33.209 31.823 -0.035 0.000 1.080 1150 V HN -0.078 nan 8.190 nan 0.000 0.444 1151 G N 0.072 108.792 108.800 -0.134 0.000 3.448 1151 G HA2 0.239 4.200 3.960 0.002 0.000 0.261 1151 G HA3 0.239 4.200 3.960 0.002 0.000 0.261 1151 G C 0.685 175.437 174.900 -0.246 0.000 1.173 1151 G CA 0.599 45.595 45.100 -0.173 0.000 0.835 1151 G HN 1.241 nan 8.290 nan 0.000 0.534 1152 T N -1.416 113.014 114.554 -0.207 0.000 3.244 1152 T HA 0.364 4.715 4.350 0.002 0.000 0.254 1152 T C 0.774 175.442 174.700 -0.052 0.000 1.024 1152 T CA -0.526 61.450 62.100 -0.207 0.000 0.920 1152 T CB -0.234 68.559 68.868 -0.125 0.000 1.042 1152 T HN 0.090 nan 8.240 nan 0.000 0.572 1153 I N 2.055 122.603 120.570 -0.038 0.000 2.683 1153 I HA 0.310 4.481 4.170 0.002 0.000 0.286 1153 I C 1.667 177.803 176.117 0.031 0.000 1.175 1153 I CA 1.366 62.672 61.300 0.009 0.000 1.429 1153 I CB 0.212 38.221 38.000 0.016 0.000 1.371 1153 I HN 0.566 nan 8.210 nan 0.000 0.569 1154 G N 6.016 114.830 108.800 0.023 0.000 2.267 1154 G HA2 -0.248 3.714 3.960 0.002 0.000 0.257 1154 G HA3 -0.248 3.714 3.960 0.002 0.000 0.257 1154 G C 0.472 175.525 174.900 0.255 0.000 0.998 1154 G CA -0.411 44.706 45.100 0.028 0.000 0.620 1154 G HN 0.459 nan 8.290 nan 0.000 0.529 1155 I N 3.659 124.361 120.570 0.220 0.000 2.683 1155 I HA 0.165 4.336 4.170 0.002 0.000 0.286 1155 I C -1.270 175.032 176.117 0.308 0.000 1.175 1155 I CA -1.979 59.477 61.300 0.261 0.000 1.429 1155 I CB -0.074 38.035 38.000 0.182 0.000 1.371 1155 I HN 0.053 nan 8.210 nan 0.000 0.569 1156 P HA 0.008 nan 4.420 nan 0.000 0.266 1156 P C 0.386 177.873 177.300 0.312 0.000 1.195 1156 P CA 0.335 63.592 63.100 0.262 0.000 0.768 1156 P CB 0.788 32.614 31.700 0.209 0.000 0.838 1157 E N 0.921 121.265 120.200 0.239 0.000 4.374 1157 E HA -0.294 4.057 4.350 0.002 0.000 0.182 1157 E C 1.328 177.930 176.600 0.003 0.000 1.240 1157 E CA 1.901 58.392 56.400 0.151 0.000 2.386 1157 E CB -2.301 27.493 29.700 0.157 0.000 1.805 1157 E HN 0.504 nan 8.360 nan 0.000 0.421 1158 F N 1.416 121.487 119.950 0.202 0.000 2.641 1158 F HA 0.082 4.611 4.527 0.002 0.000 0.298 1158 F C 2.394 178.245 175.800 0.086 0.000 1.146 1158 F CA 1.099 59.189 58.000 0.150 0.000 1.464 1158 F CB -0.070 39.099 39.000 0.282 0.000 1.101 1158 F HN 0.280 nan 8.300 nan 0.000 0.585 1159 G N -1.150 107.789 108.800 0.231 0.000 2.939 1159 G HA2 -0.037 3.924 3.960 0.002 0.000 0.210 1159 G HA3 -0.037 3.924 3.960 0.002 0.000 0.210 1159 G C 0.835 175.795 174.900 0.100 0.000 1.160 1159 G CA 0.041 45.229 45.100 0.147 0.000 0.770 1159 G HN 0.130 nan 8.290 nan 0.000 0.543 1160 T N 0.073 114.683 114.554 0.093 0.000 2.855 1160 T HA 0.148 4.499 4.350 0.002 0.000 0.314 1160 T C 1.769 176.512 174.700 0.072 0.000 1.077 1160 T CA -0.171 61.975 62.100 0.078 0.000 1.095 1160 T CB 1.109 70.021 68.868 0.073 0.000 0.987 1160 T HN 0.182 nan 8.240 nan 0.000 0.546 1161 R N 0.976 121.526 120.500 0.084 0.000 2.081 1161 R HA -0.064 4.277 4.340 0.002 0.000 0.235 1161 R C 2.060 178.431 176.300 0.119 0.000 1.131 1161 R CA 1.479 57.632 56.100 0.087 0.000 0.960 1161 R CB -0.355 29.995 30.300 0.083 0.000 0.856 1161 R HN 0.655 nan 8.270 nan 0.000 0.436 1162 F N 0.448 120.387 119.950 -0.019 0.000 2.102 1162 F HA -0.161 4.368 4.527 0.002 0.000 0.298 1162 F C 1.798 177.555 175.800 -0.071 0.000 1.105 1162 F CA 1.256 59.235 58.000 -0.036 0.000 1.239 1162 F CB -0.375 38.592 39.000 -0.054 0.000 0.991 1162 F HN -0.246 nan 8.300 nan 0.000 0.474 1163 V N 0.979 120.766 119.914 -0.212 0.000 2.379 1163 V HA -0.229 3.893 4.120 0.002 0.000 0.245 1163 V C 2.519 178.512 176.094 -0.169 0.000 1.044 1163 V CA 1.932 64.032 62.300 -0.333 0.000 1.036 1163 V CB -0.779 30.923 31.823 -0.202 0.000 0.664 1163 V HN 0.231 nan 8.190 nan 0.000 0.453 1164 R N -0.008 120.465 120.500 -0.045 0.000 2.113 1164 R HA -0.305 4.036 4.340 0.002 0.000 0.244 1164 R C 2.444 178.715 176.300 -0.048 0.000 1.142 1164 R CA 2.257 58.351 56.100 -0.011 0.000 0.953 1164 R CB -0.424 29.886 30.300 0.015 0.000 0.860 1164 R HN 0.479 nan 8.270 nan 0.000 0.438 1165 Q N 0.651 120.411 119.800 -0.068 0.000 2.084 1165 Q HA -0.095 4.246 4.340 0.002 0.000 0.202 1165 Q C 1.975 177.908 176.000 -0.112 0.000 0.978 1165 Q CA 1.718 57.491 55.803 -0.049 0.000 0.844 1165 Q CB -0.090 28.657 28.738 0.015 0.000 0.898 1165 Q HN 0.313 nan 8.270 nan 0.000 0.426 1166 M N -0.854 118.559 119.600 -0.311 0.000 2.159 1166 M HA -0.163 4.319 4.480 0.002 0.000 0.263 1166 M C 1.499 177.653 176.300 -0.243 0.000 1.063 1166 M CA 0.887 55.924 55.300 -0.439 0.000 1.110 1166 M CB -0.186 31.869 32.600 -0.909 0.000 1.374 1166 M HN 0.240 nan 8.290 nan 0.000 0.411 1167 L N 0.246 121.383 121.223 -0.145 0.000 2.093 1167 L HA -0.139 4.202 4.340 0.002 0.000 0.208 1167 L C 2.286 179.145 176.870 -0.017 0.000 1.085 1167 L CA 1.760 56.577 54.840 -0.038 0.000 0.755 1167 L CB -1.023 41.062 42.059 0.044 0.000 0.904 1167 L HN 0.334 nan 8.230 nan 0.000 0.435 1168 E N -0.217 119.973 120.200 -0.017 0.000 2.110 1168 E HA -0.260 4.092 4.350 0.002 0.000 0.193 1168 E C 1.868 178.480 176.600 0.019 0.000 0.988 1168 E CA 1.403 57.805 56.400 0.004 0.000 0.804 1168 E CB 0.116 29.822 29.700 0.009 0.000 0.745 1168 E HN 0.661 nan 8.360 nan 0.000 0.458 1169 E N -0.792 119.425 120.200 0.029 0.000 2.472 1169 E HA -0.032 4.320 4.350 0.002 0.000 0.196 1169 E C 1.244 177.891 176.600 0.079 0.000 1.033 1169 E CA 1.014 57.457 56.400 0.071 0.000 0.886 1169 E CB 0.410 30.187 29.700 0.130 0.000 0.944 1169 E HN 0.229 nan 8.360 nan 0.000 0.492 1170 T N -1.940 112.633 114.554 0.032 0.000 2.969 1170 T HA 0.202 4.553 4.350 0.002 0.000 0.250 1170 T C 0.660 175.369 174.700 0.015 0.000 1.021 1170 T CA -0.349 61.769 62.100 0.030 0.000 1.003 1170 T CB -0.148 68.702 68.868 -0.029 0.000 1.040 1170 T HN 0.095 nan 8.240 nan 0.000 0.492 1171 R N 1.709 122.215 120.500 0.010 0.000 3.158 1171 R HA -0.094 4.247 4.340 0.002 0.000 0.244 1171 R C -2.524 173.782 176.300 0.010 0.000 0.900 1171 R CA 0.260 56.370 56.100 0.015 0.000 0.618 1171 R CB -1.937 28.373 30.300 0.017 0.000 1.061 1171 R HN 0.475 nan 8.270 nan 0.000 0.471 1172 P HA 0.118 nan 4.420 nan 0.000 0.274 1172 P C -0.041 177.247 177.300 -0.019 0.000 1.231 1172 P CA -0.091 62.991 63.100 -0.029 0.000 0.790 1172 P CB 0.931 32.581 31.700 -0.083 0.000 0.951 1173 K N -0.669 119.719 120.400 -0.020 0.000 2.502 1173 K HA 0.184 4.505 4.320 0.002 0.000 0.211 1173 K C 0.371 176.973 176.600 0.003 0.000 1.259 1173 K CA 0.343 56.633 56.287 0.005 0.000 0.983 1173 K CB 0.727 33.237 32.500 0.017 0.000 1.054 1173 K HN 0.376 nan 8.250 nan 0.000 0.572 1174 T N -0.222 114.326 114.554 -0.010 0.000 2.918 1174 T HA 0.212 4.563 4.350 0.002 0.000 0.286 1174 T C 0.178 174.900 174.700 0.037 0.000 1.026 1174 T CA -0.630 61.493 62.100 0.039 0.000 1.031 1174 T CB 1.039 69.934 68.868 0.046 0.000 1.046 1174 T HN 0.002 nan 8.240 nan 0.000 0.479 1175 F N 2.390 122.336 119.950 -0.007 0.000 2.043 1175 F HA -0.193 4.335 4.527 0.003 0.000 0.297 1175 F C 2.753 178.545 175.800 -0.013 0.000 1.121 1175 F CA 2.487 60.492 58.000 0.007 0.000 1.199 1175 F CB -0.326 38.766 39.000 0.154 0.000 0.968 1175 F HN 0.643 nan 8.300 nan 0.000 0.478 1176 S N -0.665 115.171 115.700 0.227 0.000 2.399 1176 S HA -0.224 4.247 4.470 0.002 0.000 0.231 1176 S C 1.823 176.422 174.600 -0.001 0.000 1.022 1176 S CA 1.431 59.697 58.200 0.110 0.000 0.983 1176 S CB -0.764 62.523 63.200 0.145 0.000 0.803 1176 S HN 0.632 nan 8.310 nan 0.000 0.480 1177 E N 0.370 120.560 120.200 -0.017 0.000 2.077 1177 E HA -0.070 4.281 4.350 0.002 0.000 0.193 1177 E C 1.908 178.451 176.600 -0.094 0.000 0.989 1177 E CA 1.168 57.543 56.400 -0.041 0.000 0.800 1177 E CB -0.192 29.487 29.700 -0.035 0.000 0.746 1177 E HN 0.333 nan 8.360 nan 0.000 0.452 1178 L N 0.201 121.301 121.223 -0.205 0.000 2.056 1178 L HA -0.150 4.191 4.340 0.002 0.000 0.207 1178 L C 2.297 179.087 176.870 -0.133 0.000 1.078 1178 L CA 1.224 55.895 54.840 -0.281 0.000 0.749 1178 L CB -0.806 40.873 42.059 -0.632 0.000 0.901 1178 L HN 0.051 nan 8.230 nan 0.000 0.433 1179 V N -0.570 119.200 119.914 -0.241 0.000 2.324 1179 V HA -0.351 3.771 4.120 0.002 0.000 0.250 1179 V C 2.593 178.686 176.094 -0.001 0.000 1.060 1179 V CA 1.875 64.096 62.300 -0.131 0.000 1.042 1179 V CB -0.591 31.144 31.823 -0.145 0.000 0.650 1179 V HN 0.521 nan 8.190 nan 0.000 0.450 1180 Q N 0.592 120.390 119.800 -0.003 0.000 2.084 1180 Q HA -0.195 4.146 4.340 0.002 0.000 0.202 1180 Q C 1.938 177.951 176.000 0.022 0.000 0.978 1180 Q CA 2.575 58.395 55.803 0.028 0.000 0.844 1180 Q CB -0.474 28.280 28.738 0.028 0.000 0.898 1180 Q HN 0.807 nan 8.270 nan 0.000 0.426 1181 I N -1.576 118.997 120.570 0.005 0.000 2.716 1181 I HA 0.055 4.227 4.170 0.002 0.000 0.259 1181 I C 2.125 178.225 176.117 -0.028 0.000 1.172 1181 I CA 1.319 62.591 61.300 -0.047 0.000 1.478 1181 I CB -0.713 37.232 38.000 -0.092 0.000 1.104 1181 I HN 0.167 nan 8.210 nan 0.000 0.439 1182 S N 1.581 117.333 115.700 0.087 0.000 2.359 1182 S HA -0.176 4.295 4.470 0.002 0.000 0.223 1182 S C 2.242 176.996 174.600 0.257 0.000 1.039 1182 S CA 2.019 60.306 58.200 0.144 0.000 1.042 1182 S CB -1.451 61.885 63.200 0.227 0.000 0.915 1182 S HN 0.698 nan 8.310 nan 0.000 0.439 1183 G N 1.622 110.549 108.800 0.212 0.000 2.446 1183 G HA2 -0.154 3.807 3.960 0.002 0.000 0.217 1183 G HA3 -0.154 3.807 3.960 0.002 0.000 0.217 1183 G C 1.250 176.136 174.900 -0.023 0.000 1.168 1183 G CA 1.315 46.491 45.100 0.125 0.000 0.771 1183 G HN 0.657 nan 8.290 nan 0.000 0.551 1184 L N 1.028 122.241 121.223 -0.016 0.000 2.599 1184 L HA 0.309 4.651 4.340 0.002 0.000 0.230 1184 L C 2.036 178.863 176.870 -0.072 0.000 1.141 1184 L CA 1.188 56.027 54.840 -0.001 0.000 0.877 1184 L CB -0.242 41.891 42.059 0.123 0.000 1.009 1184 L HN 0.192 nan 8.230 nan 0.000 0.447 1185 S N -2.247 113.336 115.700 -0.195 0.000 2.556 1185 S HA 0.151 4.622 4.470 0.002 0.000 0.216 1185 S C 0.152 174.527 174.600 -0.375 0.000 0.970 1185 S CA -0.279 57.738 58.200 -0.306 0.000 0.912 1185 S CB -0.752 62.138 63.200 -0.516 0.000 0.790 1185 S HN 0.559 nan 8.310 nan 0.000 0.504 1186 H N 0.918 119.869 119.070 -0.197 0.000 2.866 1186 H HA 0.645 5.202 4.556 0.002 0.000 0.287 1186 H C 0.280 175.524 175.328 -0.140 0.000 1.106 1186 H CA 0.447 56.322 56.048 -0.287 0.000 1.396 1186 H CB 0.964 30.232 29.762 -0.823 0.000 1.469 1186 H HN 0.523 nan 8.280 nan 0.000 0.500 1187 G N 1.522 110.358 108.800 0.062 0.000 2.535 1187 G HA2 -0.069 3.892 3.960 0.002 0.000 0.662 1187 G HA3 -0.069 3.892 3.960 0.002 0.000 0.662 1187 G C -0.589 174.352 174.900 0.068 0.000 1.417 1187 G CA -1.167 44.011 45.100 0.130 0.000 0.866 1187 G HN 0.390 nan 8.290 nan 0.000 0.647 1188 T N 2.074 116.657 114.554 0.048 0.000 2.870 1188 T HA 0.459 4.810 4.350 0.002 0.000 0.300 1188 T C 0.672 175.393 174.700 0.035 0.000 0.989 1188 T CA 1.070 63.179 62.100 0.015 0.000 1.139 1188 T CB 0.780 69.645 68.868 -0.004 0.000 0.920 1188 T HN 0.855 nan 8.240 nan 0.000 0.537 1189 D N 1.022 121.443 120.400 0.035 0.000 3.068 1189 D HA -0.144 4.497 4.640 0.002 0.000 0.218 1189 D C 1.086 177.421 176.300 0.058 0.000 1.145 1189 D CA 0.386 54.407 54.000 0.036 0.000 0.896 1189 D CB -1.325 39.485 40.800 0.016 0.000 1.105 1189 D HN 0.402 nan 8.370 nan 0.000 0.423 1190 V N -0.852 119.125 119.914 0.105 0.000 2.500 1190 V HA -0.025 4.096 4.120 0.002 0.000 0.243 1190 V C 1.926 178.151 176.094 0.219 0.000 1.039 1190 V CA 1.730 64.106 62.300 0.125 0.000 1.053 1190 V CB 0.109 32.001 31.823 0.115 0.000 0.695 1190 V HN 0.466 nan 8.190 nan 0.000 0.463 1191 W N -0.448 120.890 121.300 0.062 0.000 3.203 1191 W HA 0.283 4.944 4.660 0.002 0.000 0.255 1191 W C 0.023 176.591 176.519 0.082 0.000 0.959 1191 W CA -0.112 57.281 57.345 0.080 0.000 2.066 1191 W CB 0.126 29.676 29.460 0.149 0.000 1.143 1191 W HN 0.024 nan 8.180 nan 0.000 0.595 1192 L N 2.459 123.823 121.223 0.235 0.000 2.628 1192 L HA 0.093 4.434 4.340 0.002 0.000 0.274 1192 L C 1.560 178.404 176.870 -0.043 0.000 1.209 1192 L CA 2.095 56.962 54.840 0.045 0.000 0.930 1192 L CB -0.632 41.505 42.059 0.129 0.000 1.183 1192 L HN 0.591 nan 8.230 nan 0.000 0.492 1193 G N 2.239 110.971 108.800 -0.112 0.000 2.184 1193 G HA2 -0.371 3.591 3.960 0.002 0.000 0.264 1193 G HA3 -0.371 3.591 3.960 0.002 0.000 0.264 1193 G C 0.762 175.609 174.900 -0.088 0.000 0.975 1193 G CA 0.724 45.773 45.100 -0.085 0.000 0.642 1193 G HN 0.663 nan 8.290 nan 0.000 0.536 1194 N N -1.145 117.479 118.700 -0.127 0.000 2.517 1194 N HA 0.519 5.260 4.740 0.002 0.000 0.121 1194 N C 2.236 177.651 175.510 -0.159 0.000 1.776 1194 N CA 1.590 54.586 53.050 -0.090 0.000 1.255 1194 N CB -0.711 37.761 38.487 -0.025 0.000 0.954 1194 N HN 0.606 nan 8.380 nan 0.000 0.414 1195 A N 0.875 123.618 122.820 -0.127 0.000 1.986 1195 A HA -0.220 4.101 4.320 0.002 0.000 0.220 1195 A C 2.023 179.318 177.584 -0.481 0.000 1.171 1195 A CA 2.168 54.109 52.037 -0.162 0.000 0.640 1195 A CB -0.955 18.087 19.000 0.069 0.000 0.811 1195 A HN 0.682 nan 8.150 nan 0.000 0.451 1196 Q N -0.560 118.704 119.800 -0.894 0.000 2.046 1196 Q HA -0.218 4.124 4.340 0.002 0.000 0.200 1196 Q C 1.974 177.632 176.000 -0.569 0.000 0.975 1196 Q CA 1.772 56.842 55.803 -1.223 0.000 0.836 1196 Q CB -0.163 27.638 28.738 -1.562 0.000 0.896 1196 Q HN 0.788 nan 8.270 nan 0.000 0.428 1197 E N 0.230 120.194 120.200 -0.395 0.000 2.077 1197 E HA -0.184 4.167 4.350 0.002 0.000 0.193 1197 E C 2.144 178.607 176.600 -0.228 0.000 0.989 1197 E CA 1.159 57.411 56.400 -0.247 0.000 0.800 1197 E CB -0.075 29.522 29.700 -0.173 0.000 0.746 1197 E HN 0.381 nan 8.360 nan 0.000 0.452 1198 L N 0.529 121.605 121.223 -0.244 0.000 2.042 1198 L HA -0.226 4.116 4.340 0.002 0.000 0.210 1198 L C 2.381 179.089 176.870 -0.271 0.000 1.076 1198 L CA 1.082 55.758 54.840 -0.273 0.000 0.749 1198 L CB -0.397 41.488 42.059 -0.289 0.000 0.893 1198 L HN 0.185 nan 8.230 nan 0.000 0.432 1199 I N -0.994 119.433 120.570 -0.239 0.000 2.286 1199 I HA -0.246 3.926 4.170 0.002 0.000 0.245 1199 I C 2.576 178.606 176.117 -0.146 0.000 1.104 1199 I CA 1.093 62.290 61.300 -0.172 0.000 1.397 1199 I CB -0.312 37.616 38.000 -0.121 0.000 1.072 1199 I HN 0.281 nan 8.210 nan 0.000 0.417 1200 Q N 0.565 120.268 119.800 -0.162 0.000 2.224 1200 Q HA -0.161 4.181 4.340 0.002 0.000 0.203 1200 Q C 1.766 177.701 176.000 -0.107 0.000 0.970 1200 Q CA 1.078 56.810 55.803 -0.118 0.000 0.865 1200 Q CB -0.164 28.501 28.738 -0.122 0.000 0.922 1200 Q HN 0.476 nan 8.270 nan 0.000 0.445 1201 N N -0.370 118.251 118.700 -0.132 0.000 2.396 1201 N HA -0.061 4.680 4.740 0.002 0.000 0.180 1201 N C 1.055 176.492 175.510 -0.121 0.000 1.028 1201 N CA 1.217 54.194 53.050 -0.122 0.000 0.893 1201 N CB 0.115 38.511 38.487 -0.151 0.000 0.967 1201 N HN 0.425 nan 8.380 nan 0.000 0.440 1202 G N -0.616 108.102 108.800 -0.136 0.000 2.143 1202 G HA2 -0.319 3.642 3.960 0.002 0.000 0.249 1202 G HA3 -0.319 3.642 3.960 0.002 0.000 0.249 1202 G C 1.039 175.829 174.900 -0.183 0.000 0.981 1202 G CA 1.201 46.223 45.100 -0.129 0.000 0.665 1202 G HN 0.478 nan 8.290 nan 0.000 0.528 1203 T N -1.447 112.944 114.554 -0.271 0.000 2.904 1203 T HA 0.221 4.572 4.350 0.002 0.000 0.267 1203 T C 1.495 175.860 174.700 -0.558 0.000 1.059 1203 T CA 2.543 64.392 62.100 -0.418 0.000 1.137 1203 T CB -0.359 68.228 68.868 -0.468 0.000 0.879 1203 T HN 1.685 nan 8.240 nan 0.000 0.467 1204 C N 0.121 119.128 119.300 -0.488 0.000 3.316 1204 C HA 0.848 5.309 4.460 0.002 0.000 0.360 1204 C C 0.332 175.208 174.990 -0.190 0.000 1.560 1204 C CA -0.365 58.448 59.018 -0.341 0.000 1.229 1204 C CB 1.037 28.513 27.740 -0.440 0.000 1.823 1204 C HN 0.521 nan 8.230 nan 0.000 0.440 1205 T N -0.915 113.580 114.554 -0.099 0.000 2.912 1205 T HA 0.452 4.804 4.350 0.002 0.000 0.280 1205 T C 0.752 175.444 174.700 -0.015 0.000 0.989 1205 T CA -0.115 61.958 62.100 -0.046 0.000 0.995 1205 T CB 0.970 69.829 68.868 -0.015 0.000 1.077 1205 T HN 1.305 nan 8.240 nan 0.000 0.531 1206 L N 1.598 122.832 121.223 0.017 0.000 2.042 1206 L HA -0.038 4.304 4.340 0.002 0.000 0.210 1206 L C 2.630 179.538 176.870 0.062 0.000 1.076 1206 L CA 2.676 57.553 54.840 0.062 0.000 0.749 1206 L CB -1.332 40.773 42.059 0.077 0.000 0.893 1206 L HN 0.944 nan 8.230 nan 0.000 0.432 1207 S N -1.789 113.936 115.700 0.043 0.000 2.453 1207 S HA -0.102 4.369 4.470 0.002 0.000 0.231 1207 S C 1.615 176.245 174.600 0.051 0.000 1.005 1207 S CA 0.928 59.155 58.200 0.044 0.000 0.949 1207 S CB -0.558 62.662 63.200 0.033 0.000 0.774 1207 S HN 0.673 nan 8.310 nan 0.000 0.510 1208 E N 0.557 120.787 120.200 0.050 0.000 2.474 1208 E HA 0.244 4.596 4.350 0.002 0.000 0.194 1208 E C -0.000 176.677 176.600 0.129 0.000 1.041 1208 E CA -0.198 56.248 56.400 0.077 0.000 0.874 1208 E CB 0.374 30.119 29.700 0.074 0.000 0.914 1208 E HN 0.270 nan 8.360 nan 0.000 0.498 1209 V N 1.635 121.606 119.914 0.094 0.000 3.051 1209 V HA 0.023 4.144 4.120 0.002 0.000 0.306 1209 V C 0.341 176.497 176.094 0.103 0.000 1.083 1209 V CA -0.047 62.317 62.300 0.106 0.000 1.104 1209 V CB 0.927 32.801 31.823 0.086 0.000 1.027 1209 V HN 0.119 nan 8.190 nan 0.000 0.483 1210 I N 4.190 124.799 120.570 0.064 0.000 2.347 1210 I HA 0.238 4.409 4.170 0.002 0.000 0.294 1210 I C 1.211 177.356 176.117 0.046 0.000 1.090 1210 I CA 0.666 61.979 61.300 0.021 0.000 1.314 1210 I CB 0.734 38.676 38.000 -0.097 0.000 1.423 1210 I HN 0.763 nan 8.210 nan 0.000 0.503 1211 G N 5.441 114.279 108.800 0.063 0.000 3.274 1211 G HA2 0.266 4.228 3.960 0.002 0.000 0.250 1211 G HA3 0.266 4.228 3.960 0.002 0.000 0.250 1211 G C -0.020 174.922 174.900 0.070 0.000 1.024 1211 G CA 0.070 45.210 45.100 0.068 0.000 0.840 1211 G HN 0.690 nan 8.290 nan 0.000 0.522 1212 C N -1.411 117.928 119.300 0.065 0.000 3.239 1212 C HA 0.624 5.085 4.460 0.002 0.000 0.329 1212 C C 1.522 176.540 174.990 0.046 0.000 1.252 1212 C CA -1.006 58.055 59.018 0.072 0.000 1.323 1212 C CB 1.548 29.346 27.740 0.098 0.000 1.663 1212 C HN 0.508 nan 8.230 nan 0.000 0.487 1213 R N 0.813 121.325 120.500 0.020 0.000 2.127 1213 R HA -0.123 4.219 4.340 0.002 0.000 0.238 1213 R C 0.697 177.024 176.300 0.045 0.000 1.134 1213 R CA 2.554 58.654 56.100 -0.000 0.000 0.975 1213 R CB -0.615 29.657 30.300 -0.045 0.000 0.865 1213 R HN 0.823 nan 8.270 nan 0.000 0.447 1214 D N 1.391 121.833 120.400 0.070 0.000 2.097 1214 D HA -0.147 4.494 4.640 0.002 0.000 0.195 1214 D C 1.307 177.678 176.300 0.119 0.000 0.989 1214 D CA 1.455 55.514 54.000 0.097 0.000 0.827 1214 D CB -0.352 40.508 40.800 0.100 0.000 0.966 1214 D HN 0.255 nan 8.370 nan 0.000 0.456 1215 D N 0.221 120.692 120.400 0.117 0.000 2.190 1215 D HA -0.122 4.520 4.640 0.002 0.000 0.200 1215 D C 2.127 178.551 176.300 0.207 0.000 0.992 1215 D CA 0.513 54.600 54.000 0.144 0.000 0.854 1215 D CB -0.224 40.650 40.800 0.122 0.000 0.936 1215 D HN 0.310 nan 8.370 nan 0.000 0.462 1216 I N 0.351 121.038 120.570 0.194 0.000 2.179 1216 I HA -0.252 3.919 4.170 0.002 0.000 0.242 1216 I C 2.544 178.789 176.117 0.213 0.000 1.088 1216 I CA 0.818 62.281 61.300 0.271 0.000 1.357 1216 I CB -0.244 37.855 38.000 0.164 0.000 1.051 1216 I HN 0.019 nan 8.210 nan 0.000 0.409 1217 M N 0.681 120.370 119.600 0.148 0.000 2.077 1217 M HA -0.172 4.310 4.480 0.002 0.000 0.261 1217 M C 2.324 178.713 176.300 0.148 0.000 1.070 1217 M CA 1.873 57.255 55.300 0.137 0.000 1.125 1217 M CB -0.015 32.694 32.600 0.181 0.000 1.339 1217 M HN 0.009 nan 8.290 nan 0.000 0.409 1218 V N 0.077 120.093 119.914 0.171 0.000 2.490 1218 V HA -0.278 3.844 4.120 0.002 0.000 0.250 1218 V C 2.216 178.420 176.094 0.184 0.000 1.061 1218 V CA 1.908 64.307 62.300 0.165 0.000 1.064 1218 V CB -1.217 30.695 31.823 0.149 0.000 0.670 1218 V HN 0.644 nan 8.190 nan 0.000 0.461 1219 Y N 0.164 120.499 120.300 0.060 0.000 2.286 1219 Y HA -0.036 4.516 4.550 0.002 0.000 0.293 1219 Y C 2.081 177.985 175.900 0.007 0.000 1.124 1219 Y CA 1.246 59.367 58.100 0.034 0.000 1.178 1219 Y CB -0.146 38.294 38.460 -0.032 0.000 1.010 1219 Y HN 0.144 nan 8.280 nan 0.000 0.536 1220 L N -0.449 120.684 121.223 -0.149 0.000 2.156 1220 L HA -0.175 4.166 4.340 0.002 0.000 0.208 1220 L C 2.306 179.013 176.870 -0.271 0.000 1.095 1220 L CA 1.096 55.748 54.840 -0.314 0.000 0.770 1220 L CB -0.439 41.517 42.059 -0.171 0.000 0.914 1220 L HN 0.255 nan 8.230 nan 0.000 0.439 1221 I N -1.267 119.230 120.570 -0.123 0.000 2.163 1221 I HA -0.351 3.820 4.170 0.002 0.000 0.240 1221 I C 2.571 178.628 176.117 -0.101 0.000 1.081 1221 I CA 1.413 62.650 61.300 -0.105 0.000 1.353 1221 I CB -0.445 37.553 38.000 -0.002 0.000 1.054 1221 I HN 0.157 nan 8.210 nan 0.000 0.407 1222 Y N 2.037 122.249 120.300 -0.146 0.000 2.069 1222 Y HA -0.307 4.245 4.550 0.002 0.000 0.278 1222 Y C 2.441 178.217 175.900 -0.208 0.000 1.175 1222 Y CA 1.701 59.723 58.100 -0.131 0.000 1.134 1222 Y CB -0.264 38.156 38.460 -0.068 0.000 0.965 1222 Y HN -0.035 nan 8.280 nan 0.000 0.498 1223 R N 0.621 120.880 120.500 -0.401 0.000 2.377 1223 R HA 0.023 4.364 4.340 0.002 0.000 0.207 1223 R C 1.671 177.739 176.300 -0.386 0.000 1.075 1223 R CA 0.665 56.476 56.100 -0.482 0.000 1.035 1223 R CB -1.211 28.719 30.300 -0.617 0.000 0.857 1223 R HN 0.737 nan 8.270 nan 0.000 0.475 1224 G N -0.900 107.659 108.800 -0.401 0.000 2.195 1224 G HA2 -0.250 3.711 3.960 0.002 0.000 0.224 1224 G HA3 -0.250 3.711 3.960 0.002 0.000 0.224 1224 G C -0.132 174.335 174.900 -0.722 0.000 0.990 1224 G CA -0.138 44.717 45.100 -0.407 0.000 0.639 1224 G HN 0.186 nan 8.290 nan 0.000 0.514 1225 L N 1.227 121.983 121.223 -0.779 0.000 2.467 1225 L HA 0.522 4.864 4.340 0.002 0.000 0.270 1225 L C 0.929 177.602 176.870 -0.329 0.000 1.205 1225 L CA -0.171 54.321 54.840 -0.580 0.000 0.828 1225 L CB 0.617 42.433 42.059 -0.405 0.000 1.101 1225 L HN 0.337 nan 8.230 nan 0.000 0.479 1226 E N 4.221 124.275 120.200 -0.243 0.000 2.417 1226 E HA 0.007 4.359 4.350 0.002 0.000 0.261 1226 E C -1.890 174.543 176.600 -0.278 0.000 1.000 1226 E CA -0.865 55.405 56.400 -0.216 0.000 0.919 1226 E CB 0.746 30.355 29.700 -0.152 0.000 0.955 1226 E HN 0.296 nan 8.360 nan 0.000 0.455 1227 P HA -0.245 nan 4.420 nan 0.000 0.215 1227 P C 1.170 178.101 177.300 -0.614 0.000 1.157 1227 P CA 2.111 64.841 63.100 -0.617 0.000 0.874 1227 P CB 0.000 31.011 31.700 -1.148 0.000 0.790 1228 S N -0.960 114.358 115.700 -0.638 0.000 2.399 1228 S HA -0.158 4.313 4.470 0.002 0.000 0.231 1228 S C 1.908 176.530 174.600 0.036 0.000 1.022 1228 S CA 1.137 59.225 58.200 -0.187 0.000 0.983 1228 S CB -1.518 61.613 63.200 -0.114 0.000 0.803 1228 S HN 0.022 nan 8.310 nan 0.000 0.480 1229 L N 1.975 123.155 121.223 -0.072 0.000 2.056 1229 L HA 0.256 4.598 4.340 0.002 0.000 0.207 1229 L C 2.658 179.440 176.870 -0.147 0.000 1.078 1229 L CA 1.681 56.473 54.840 -0.081 0.000 0.749 1229 L CB -1.185 40.823 42.059 -0.085 0.000 0.901 1229 L HN 0.348 nan 8.230 nan 0.000 0.433 1230 A N -0.782 121.970 122.820 -0.113 0.000 1.972 1230 A HA -0.250 4.072 4.320 0.002 0.000 0.219 1230 A C 2.240 179.826 177.584 0.002 0.000 1.169 1230 A CA 1.799 53.784 52.037 -0.086 0.000 0.635 1230 A CB -1.156 17.814 19.000 -0.051 0.000 0.810 1230 A HN 0.615 nan 8.150 nan 0.000 0.446 1231 F N 0.502 120.446 119.950 -0.009 0.000 2.146 1231 F HA -0.059 4.469 4.527 0.003 0.000 0.298 1231 F C 2.055 177.833 175.800 -0.037 0.000 1.096 1231 F CA 1.937 59.976 58.000 0.065 0.000 1.275 1231 F CB -0.183 38.965 39.000 0.246 0.000 1.008 1231 F HN 0.071 nan 8.300 nan 0.000 0.480 1232 K N 0.417 120.733 120.400 -0.140 0.000 2.103 1232 K HA -0.164 4.158 4.320 0.002 0.000 0.207 1232 K C 2.132 178.460 176.600 -0.454 0.000 1.048 1232 K CA 1.903 58.020 56.287 -0.283 0.000 0.930 1232 K CB -0.291 32.147 32.500 -0.104 0.000 0.716 1232 K HN 0.397 nan 8.250 nan 0.000 0.444 1233 I N 0.594 120.830 120.570 -0.556 0.000 2.333 1233 I HA -0.230 3.942 4.170 0.002 0.000 0.246 1233 I C 2.565 178.500 176.117 -0.304 0.000 1.106 1233 I CA 0.577 61.495 61.300 -0.636 0.000 1.411 1233 I CB -0.115 37.511 38.000 -0.624 0.000 1.082 1233 I HN 0.240 nan 8.210 nan 0.000 0.420 1234 M N 0.834 120.285 119.600 -0.249 0.000 2.073 1234 M HA -0.273 4.209 4.480 0.002 0.000 0.258 1234 M C 2.164 178.323 176.300 -0.235 0.000 1.070 1234 M CA 1.981 57.173 55.300 -0.180 0.000 1.103 1234 M CB -0.194 32.325 32.600 -0.136 0.000 1.321 1234 M HN 0.103 nan 8.290 nan 0.000 0.405 1235 E N -0.016 119.945 120.200 -0.398 0.000 2.110 1235 E HA -0.174 4.177 4.350 0.002 0.000 0.193 1235 E C 2.111 178.602 176.600 -0.182 0.000 0.988 1235 E CA 1.565 57.750 56.400 -0.359 0.000 0.804 1235 E CB -0.546 28.814 29.700 -0.566 0.000 0.745 1235 E HN 0.614 nan 8.360 nan 0.000 0.458 1236 S N 0.601 116.223 115.700 -0.129 0.000 2.356 1236 S HA -0.136 4.335 4.470 0.002 0.000 0.223 1236 S C 2.171 176.765 174.600 -0.009 0.000 1.032 1236 S CA 1.569 59.768 58.200 -0.003 0.000 1.005 1236 S CB -0.256 63.043 63.200 0.166 0.000 0.867 1236 S HN 0.210 nan 8.310 nan 0.000 0.449 1237 V N 2.842 122.734 119.914 -0.036 0.000 2.548 1237 V HA -0.036 4.085 4.120 0.002 0.000 0.249 1237 V C 2.283 178.339 176.094 -0.063 0.000 1.055 1237 V CA 2.114 64.395 62.300 -0.031 0.000 1.065 1237 V CB -0.893 30.912 31.823 -0.030 0.000 0.681 1237 V HN 0.728 nan 8.190 nan 0.000 0.462 1238 R N 0.787 121.224 120.500 -0.105 0.000 2.316 1238 R HA 0.089 4.430 4.340 0.002 0.000 0.202 1238 R C 1.703 177.921 176.300 -0.136 0.000 1.029 1238 R CA 1.219 57.215 56.100 -0.174 0.000 1.018 1238 R CB -0.825 29.353 30.300 -0.203 0.000 0.888 1238 R HN 0.482 nan 8.270 nan 0.000 0.471 1239 K N 0.510 120.883 120.400 -0.044 0.000 2.397 1239 K HA 0.232 4.553 4.320 0.002 0.000 0.202 1239 K C 0.338 176.968 176.600 0.049 0.000 1.022 1239 K CA 0.364 56.670 56.287 0.032 0.000 1.141 1239 K CB 0.729 33.244 32.500 0.024 0.000 0.857 1239 K HN 0.384 nan 8.250 nan 0.000 0.514 1240 G N 2.446 111.262 108.800 0.027 0.000 2.341 1240 G HA2 -0.332 3.629 3.960 0.002 0.000 0.292 1240 G HA3 -0.332 3.629 3.960 0.002 0.000 0.292 1240 G C 0.396 175.312 174.900 0.027 0.000 1.021 1240 G CA 0.629 45.748 45.100 0.031 0.000 0.905 1240 G HN 0.390 nan 8.290 nan 0.000 0.508 1241 K N -0.156 120.260 120.400 0.026 0.000 2.374 1241 K HA 0.403 4.724 4.320 0.002 0.000 0.196 1241 K C 1.883 178.507 176.600 0.041 0.000 1.023 1241 K CA 0.269 56.574 56.287 0.031 0.000 1.103 1241 K CB 0.343 32.862 32.500 0.033 0.000 0.848 1241 K HN 1.203 nan 8.250 nan 0.000 0.528 1242 G N 1.594 110.420 108.800 0.044 0.000 2.552 1242 G HA2 -0.274 3.688 3.960 0.002 0.000 0.265 1242 G HA3 -0.274 3.688 3.960 0.002 0.000 0.265 1242 G C -1.033 173.936 174.900 0.115 0.000 1.234 1242 G CA -0.597 44.537 45.100 0.056 0.000 0.944 1242 G HN 0.064 nan 8.290 nan 0.000 0.568 1243 L N 1.101 122.388 121.223 0.107 0.000 2.386 1243 L HA 0.699 5.041 4.340 0.002 0.000 0.271 1243 L C 1.150 178.021 176.870 0.002 0.000 0.993 1243 L CA 0.107 55.057 54.840 0.183 0.000 0.819 1243 L CB 1.412 43.576 42.059 0.175 0.000 1.294 1243 L HN 1.288 nan 8.230 nan 0.000 0.414 1244 T N -0.160 114.255 114.554 -0.232 0.000 2.874 1244 T HA 0.421 4.772 4.350 0.002 0.000 0.281 1244 T C -1.980 172.599 174.700 -0.201 0.000 0.994 1244 T CA -1.621 60.269 62.100 -0.349 0.000 1.015 1244 T CB 1.146 69.599 68.868 -0.693 0.000 1.028 1244 T HN 0.396 nan 8.240 nan 0.000 0.523 1245 P HA -0.099 nan 4.420 nan 0.000 0.216 1245 P C 1.225 178.495 177.300 -0.049 0.000 1.150 1245 P CA 1.124 64.181 63.100 -0.070 0.000 0.843 1245 P CB 0.048 31.708 31.700 -0.067 0.000 0.787 1246 E N -1.627 118.509 120.200 -0.106 0.000 2.077 1246 E HA -0.150 4.202 4.350 0.002 0.000 0.193 1246 E C 1.763 178.447 176.600 0.141 0.000 0.989 1246 E CA 1.092 57.478 56.400 -0.023 0.000 0.800 1246 E CB -0.916 28.744 29.700 -0.068 0.000 0.746 1246 E HN 0.206 nan 8.360 nan 0.000 0.452 1247 F N 1.497 121.447 119.950 0.001 0.000 2.102 1247 F HA -0.121 4.408 4.527 0.002 0.000 0.298 1247 F C 2.023 177.828 175.800 0.008 0.000 1.105 1247 F CA 1.164 59.166 58.000 0.003 0.000 1.239 1247 F CB -1.078 37.923 39.000 0.002 0.000 0.991 1247 F HN 0.110 nan 8.300 nan 0.000 0.474 1248 E N 0.216 120.531 120.200 0.192 0.000 2.051 1248 E HA -0.183 4.169 4.350 0.002 0.000 0.192 1248 E C 2.416 179.067 176.600 0.084 0.000 0.991 1248 E CA 1.239 57.707 56.400 0.114 0.000 0.799 1248 E CB -0.445 29.296 29.700 0.068 0.000 0.748 1248 E HN 0.321 nan 8.360 nan 0.000 0.449 1249 A N 1.674 124.537 122.820 0.073 0.000 1.972 1249 A HA -0.202 4.119 4.320 0.002 0.000 0.219 1249 A C 2.010 179.631 177.584 0.063 0.000 1.169 1249 A CA 1.179 53.245 52.037 0.049 0.000 0.635 1249 A CB -0.242 18.777 19.000 0.031 0.000 0.810 1249 A HN 0.090 nan 8.150 nan 0.000 0.446 1250 E N -0.540 119.720 120.200 0.101 0.000 2.107 1250 E HA -0.128 4.224 4.350 0.002 0.000 0.191 1250 E C 2.034 178.709 176.600 0.125 0.000 0.982 1250 E CA 1.142 57.617 56.400 0.124 0.000 0.809 1250 E CB -0.299 29.474 29.700 0.123 0.000 0.756 1250 E HN 0.735 nan 8.360 nan 0.000 0.459 1251 M N 0.005 119.652 119.600 0.079 0.000 2.077 1251 M HA -0.113 4.368 4.480 0.002 0.000 0.261 1251 M C 2.411 178.728 176.300 0.029 0.000 1.070 1251 M CA 1.398 56.719 55.300 0.034 0.000 1.125 1251 M CB -0.226 32.396 32.600 0.037 0.000 1.339 1251 M HN -0.087 nan 8.290 nan 0.000 0.409 1252 R N 0.839 121.355 120.500 0.027 0.000 2.083 1252 R HA -0.206 4.135 4.340 0.002 0.000 0.237 1252 R C 2.125 178.415 176.300 -0.017 0.000 1.137 1252 R CA 1.953 58.056 56.100 0.005 0.000 0.951 1252 R CB -0.408 29.895 30.300 0.006 0.000 0.851 1252 R HN 0.299 nan 8.270 nan 0.000 0.434 1253 K N -0.433 119.953 120.400 -0.024 0.000 2.362 1253 K HA -0.123 4.198 4.320 0.002 0.000 0.200 1253 K C 0.464 176.916 176.600 -0.248 0.000 1.046 1253 K CA 1.668 57.884 56.287 -0.118 0.000 0.952 1253 K CB -0.012 32.414 32.500 -0.125 0.000 0.753 1253 K HN 0.311 nan 8.250 nan 0.000 0.466 1254 H N 1.125 120.145 119.070 -0.083 0.000 2.488 1254 H HA 0.191 4.748 4.556 0.002 0.000 0.294 1254 H C -0.631 174.621 175.328 -0.128 0.000 1.088 1254 H CA 0.165 56.142 56.048 -0.118 0.000 1.086 1254 H CB 0.308 29.976 29.762 -0.156 0.000 1.569 1254 H HN 0.318 nan 8.280 nan 0.000 0.548 1255 D N -0.603 119.784 120.400 -0.022 0.000 3.012 1255 D HA -0.165 4.476 4.640 0.002 0.000 0.222 1255 D C -0.316 175.965 176.300 -0.032 0.000 1.167 1255 D CA 0.437 54.423 54.000 -0.024 0.000 0.854 1255 D CB -1.532 39.255 40.800 -0.021 0.000 1.107 1255 D HN 0.189 nan 8.370 nan 0.000 0.421 1256 V N 1.298 121.175 119.914 -0.062 0.000 2.529 1256 V HA 0.098 4.219 4.120 0.002 0.000 0.292 1256 V C -1.477 174.566 176.094 -0.086 0.000 1.028 1256 V CA -0.510 61.731 62.300 -0.099 0.000 1.074 1256 V CB 0.480 32.226 31.823 -0.128 0.000 0.958 1256 V HN -0.042 nan 8.190 nan 0.000 0.481 1257 P HA 0.144 nan 4.420 nan 0.000 0.272 1257 P C 0.647 177.835 177.300 -0.188 0.000 1.230 1257 P CA -0.326 62.683 63.100 -0.153 0.000 0.788 1257 P CB 0.793 32.340 31.700 -0.256 0.000 0.949 1258 E N 1.068 121.245 120.200 -0.037 0.000 2.265 1258 E HA -0.141 4.210 4.350 0.002 0.000 0.196 1258 E C 1.328 177.964 176.600 0.060 0.000 0.996 1258 E CA 1.244 57.657 56.400 0.021 0.000 0.832 1258 E CB -0.396 29.350 29.700 0.077 0.000 0.756 1258 E HN 0.614 nan 8.360 nan 0.000 0.491 1259 W N -1.009 120.350 121.300 0.099 0.000 2.523 1259 W HA -0.076 4.585 4.660 0.002 0.000 0.278 1259 W C 1.525 178.098 176.519 0.089 0.000 1.236 1259 W CA 0.244 57.631 57.345 0.070 0.000 1.306 1259 W CB -1.110 28.379 29.460 0.049 0.000 1.101 1259 W HN 0.074 nan 8.180 nan 0.000 0.577 1260 Y N 2.000 121.693 120.300 -1.011 0.000 2.200 1260 Y HA -0.166 4.386 4.550 0.003 0.000 0.290 1260 Y C 2.611 178.350 175.900 -0.269 0.000 1.137 1260 Y CA 2.680 60.262 58.100 -0.863 0.000 1.163 1260 Y CB -0.534 37.248 38.460 -1.130 0.000 0.988 1260 Y HN -0.226 nan 8.280 nan 0.000 0.518 1261 I N 0.047 120.628 120.570 0.018 0.000 2.226 1261 I HA -0.301 3.871 4.170 0.002 0.000 0.245 1261 I C 2.055 178.188 176.117 0.026 0.000 1.100 1261 I CA 1.986 63.325 61.300 0.065 0.000 1.374 1261 I CB -0.417 37.615 38.000 0.054 0.000 1.057 1261 I HN 0.262 nan 8.210 nan 0.000 0.413 1262 D N -0.006 120.413 120.400 0.032 0.000 2.178 1262 D HA -0.203 4.438 4.640 0.002 0.000 0.202 1262 D C 2.270 178.584 176.300 0.023 0.000 0.974 1262 D CA 1.354 55.380 54.000 0.043 0.000 0.841 1262 D CB 0.105 40.952 40.800 0.078 0.000 0.953 1262 D HN 0.120 nan 8.370 nan 0.000 0.478 1263 S N -1.323 114.382 115.700 0.008 0.000 2.368 1263 S HA -0.151 4.321 4.470 0.002 0.000 0.224 1263 S C 2.178 176.721 174.600 -0.095 0.000 1.029 1263 S CA 1.229 59.410 58.200 -0.033 0.000 0.988 1263 S CB -0.738 62.447 63.200 -0.026 0.000 0.838 1263 S HN 0.534 nan 8.310 nan 0.000 0.462 1264 C N 1.517 120.731 119.300 -0.143 0.000 2.413 1264 C HA -0.018 4.443 4.460 0.002 0.000 0.277 1264 C C 2.536 177.512 174.990 -0.023 0.000 1.265 1264 C CA 1.026 59.991 59.018 -0.087 0.000 1.752 1264 C CB -1.191 26.529 27.740 -0.035 0.000 1.998 1264 C HN 0.631 nan 8.230 nan 0.000 0.489 1265 K N 0.493 120.891 120.400 -0.003 0.000 2.288 1265 K HA -0.073 4.248 4.320 0.002 0.000 0.201 1265 K C 1.965 178.569 176.600 0.006 0.000 1.048 1265 K CA 0.912 57.207 56.287 0.013 0.000 0.956 1265 K CB -0.018 32.495 32.500 0.021 0.000 0.746 1265 K HN 0.527 nan 8.250 nan 0.000 0.461 1266 K N 0.738 121.136 120.400 -0.003 0.000 2.076 1266 K HA 0.068 4.390 4.320 0.002 0.000 0.204 1266 K C 0.492 177.094 176.600 0.003 0.000 1.051 1266 K CA 0.392 56.679 56.287 0.000 0.000 0.949 1266 K CB 0.049 32.549 32.500 -0.001 0.000 0.726 1266 K HN 0.033 nan 8.250 nan 0.000 0.443 1267 I N 2.912 123.479 120.570 -0.006 0.000 2.828 1267 I HA -0.141 4.030 4.170 0.002 0.000 0.292 1267 I C 1.151 177.275 176.117 0.011 0.000 1.206 1267 I CA 0.177 61.475 61.300 -0.003 0.000 1.420 1267 I CB 0.413 38.394 38.000 -0.033 0.000 1.368 1267 I HN 0.094 nan 8.210 nan 0.000 0.556 1268 K N 5.671 126.094 120.400 0.038 0.000 2.262 1268 K HA 0.080 4.401 4.320 0.002 0.000 0.200 1268 K C -0.263 176.416 176.600 0.132 0.000 1.049 1268 K CA 0.771 57.097 56.287 0.065 0.000 0.979 1268 K CB 0.213 32.749 32.500 0.061 0.000 0.773 1268 K HN 0.616 nan 8.250 nan 0.000 0.474 1269 Y N -0.525 119.763 120.300 -0.020 0.000 2.558 1269 Y HA 0.483 5.035 4.550 0.003 0.000 0.333 1269 Y C -1.849 174.027 175.900 -0.041 0.000 1.125 1269 Y CA -1.377 56.709 58.100 -0.023 0.000 1.039 1269 Y CB 1.506 39.951 38.460 -0.026 0.000 1.331 1269 Y HN -0.093 nan 8.280 nan 0.000 0.456 1270 M N 5.775 124.602 119.600 -1.288 0.000 2.294 1270 M HA 0.468 4.949 4.480 0.002 0.000 0.280 1270 M C -1.970 173.962 176.300 -0.612 0.000 1.085 1270 M CA -0.372 54.490 55.300 -0.730 0.000 0.969 1270 M CB 0.968 33.385 32.600 -0.304 0.000 1.770 1270 M HN 0.507 nan 8.290 nan 0.000 0.485 1271 F N 4.550 124.298 119.950 -0.337 0.000 2.628 1271 F HA 0.300 4.828 4.527 0.002 0.000 0.346 1271 F C -1.909 173.814 175.800 -0.128 0.000 1.188 1271 F CA -1.120 56.777 58.000 -0.171 0.000 1.376 1271 F CB -0.374 38.608 39.000 -0.030 0.000 1.104 1271 F HN 0.361 nan 8.300 nan 0.000 0.616 1272 P HA 0.133 nan 4.420 nan 0.000 0.286 1272 P C 0.401 177.748 177.300 0.077 0.000 1.261 1272 P CA -0.580 62.563 63.100 0.071 0.000 0.821 1272 P CB 1.227 32.956 31.700 0.049 0.000 1.013 1273 K N 2.300 122.745 120.400 0.076 0.000 2.089 1273 K HA -0.227 4.095 4.320 0.002 0.000 0.210 1273 K C 1.780 178.383 176.600 0.006 0.000 1.048 1273 K CA 2.148 58.470 56.287 0.059 0.000 0.926 1273 K CB -0.631 31.911 32.500 0.070 0.000 0.714 1273 K HN 0.531 nan 8.250 nan 0.000 0.448 1274 A N 0.087 122.915 122.820 0.014 0.000 1.933 1274 A HA -0.215 4.106 4.320 0.002 0.000 0.218 1274 A C 1.884 179.424 177.584 -0.073 0.000 1.175 1274 A CA 1.901 53.929 52.037 -0.015 0.000 0.628 1274 A CB -0.716 18.297 19.000 0.022 0.000 0.814 1274 A HN 0.529 nan 8.150 nan 0.000 0.444 1275 H N -0.067 118.873 119.070 -0.218 0.000 2.293 1275 H HA 0.032 4.590 4.556 0.002 0.000 0.300 1275 H C 2.263 177.293 175.328 -0.496 0.000 1.082 1275 H CA 2.080 57.867 56.048 -0.436 0.000 1.308 1275 H CB -0.299 29.042 29.762 -0.702 0.000 1.375 1275 H HN 0.380 nan 8.280 nan 0.000 0.495 1276 A N 0.725 123.338 122.820 -0.346 0.000 1.948 1276 A HA -0.208 4.113 4.320 0.002 0.000 0.220 1276 A C 2.557 180.043 177.584 -0.164 0.000 1.177 1276 A CA 2.159 54.081 52.037 -0.192 0.000 0.636 1276 A CB -1.386 17.659 19.000 0.075 0.000 0.815 1276 A HN 0.643 nan 8.150 nan 0.000 0.449 1277 A N -0.470 122.252 122.820 -0.163 0.000 1.872 1277 A HA 0.275 4.596 4.320 0.002 0.000 0.214 1277 A C 2.536 180.092 177.584 -0.047 0.000 1.187 1277 A CA 1.835 53.778 52.037 -0.157 0.000 0.614 1277 A CB -1.119 17.663 19.000 -0.363 0.000 0.826 1277 A HN 1.112 nan 8.150 nan 0.000 0.442 1278 A N -1.001 121.766 122.820 -0.088 0.000 1.884 1278 A HA -0.198 4.123 4.320 0.002 0.000 0.219 1278 A C 2.130 179.746 177.584 0.053 0.000 1.197 1278 A CA 1.986 54.011 52.037 -0.019 0.000 0.637 1278 A CB -0.933 18.028 19.000 -0.065 0.000 0.827 1278 A HN 0.560 nan 8.150 nan 0.000 0.450 1279 Y N -0.359 119.755 120.300 -0.309 0.000 2.263 1279 Y HA -0.082 4.470 4.550 0.002 0.000 0.292 1279 Y C 2.698 178.584 175.900 -0.023 0.000 1.130 1279 Y CA 0.644 58.612 58.100 -0.219 0.000 1.179 1279 Y CB -0.760 37.504 38.460 -0.327 0.000 0.998 1279 Y HN 0.087 nan 8.280 nan 0.000 0.532 1280 V N -0.073 119.906 119.914 0.109 0.000 2.332 1280 V HA -0.283 3.839 4.120 0.002 0.000 0.248 1280 V C 2.385 178.536 176.094 0.096 0.000 1.055 1280 V CA 1.657 63.965 62.300 0.013 0.000 1.038 1280 V CB -0.951 30.639 31.823 -0.387 0.000 0.651 1280 V HN 0.350 nan 8.190 nan 0.000 0.450 1281 L N -0.814 120.568 121.223 0.264 0.000 2.083 1281 L HA -0.154 4.187 4.340 0.002 0.000 0.209 1281 L C 2.195 179.207 176.870 0.237 0.000 1.083 1281 L CA 2.123 57.220 54.840 0.428 0.000 0.752 1281 L CB -0.524 41.785 42.059 0.416 0.000 0.899 1281 L HN 0.240 nan 8.230 nan 0.000 0.433 1282 M N -0.535 119.150 119.600 0.141 0.000 2.156 1282 M HA 0.015 4.497 4.480 0.002 0.000 0.264 1282 M C 2.255 178.647 176.300 0.152 0.000 1.067 1282 M CA 1.754 57.108 55.300 0.090 0.000 1.131 1282 M CB -0.664 31.910 32.600 -0.044 0.000 1.368 1282 M HN 0.357 nan 8.290 nan 0.000 0.416 1283 A N -0.981 121.953 122.820 0.190 0.000 1.917 1283 A HA -0.147 4.174 4.320 0.002 0.000 0.219 1283 A C 2.224 179.980 177.584 0.286 0.000 1.182 1283 A CA 2.140 54.344 52.037 0.279 0.000 0.633 1283 A CB -1.210 18.020 19.000 0.383 0.000 0.819 1283 A HN 0.328 nan 8.150 nan 0.000 0.448 1284 V N -0.539 119.523 119.914 0.247 0.000 2.379 1284 V HA -0.220 3.901 4.120 0.002 0.000 0.245 1284 V C 2.594 178.834 176.094 0.244 0.000 1.044 1284 V CA 2.113 64.569 62.300 0.260 0.000 1.036 1284 V CB -0.770 31.198 31.823 0.242 0.000 0.664 1284 V HN 0.529 nan 8.190 nan 0.000 0.453 1285 R N -0.226 120.405 120.500 0.219 0.000 2.094 1285 R HA -0.180 4.162 4.340 0.002 0.000 0.239 1285 R C 2.190 178.723 176.300 0.388 0.000 1.137 1285 R CA 2.076 58.318 56.100 0.235 0.000 0.943 1285 R CB -0.463 29.956 30.300 0.198 0.000 0.850 1285 R HN 0.433 nan 8.270 nan 0.000 0.433 1286 I N 0.066 120.841 120.570 0.342 0.000 2.315 1286 I HA -0.231 3.941 4.170 0.002 0.000 0.248 1286 I C 2.490 178.779 176.117 0.286 0.000 1.117 1286 I CA 1.082 62.613 61.300 0.384 0.000 1.404 1286 I CB -0.326 37.851 38.000 0.296 0.000 1.071 1286 I HN 0.237 nan 8.210 nan 0.000 0.419 1287 A N 0.255 123.178 122.820 0.172 0.000 1.948 1287 A HA -0.314 4.008 4.320 0.002 0.000 0.220 1287 A C 2.298 179.873 177.584 -0.015 0.000 1.177 1287 A CA 1.787 53.813 52.037 -0.018 0.000 0.636 1287 A CB -1.134 17.887 19.000 0.036 0.000 0.815 1287 A HN 0.572 nan 8.150 nan 0.000 0.449 1288 Y N -0.631 119.667 120.300 -0.003 0.000 2.165 1288 Y HA -0.236 4.316 4.550 0.002 0.000 0.286 1288 Y C 1.847 177.675 175.900 -0.121 0.000 1.155 1288 Y CA 2.107 60.162 58.100 -0.075 0.000 1.164 1288 Y CB -0.377 38.009 38.460 -0.124 0.000 0.978 1288 Y HN 0.288 nan 8.280 nan 0.000 0.513 1289 F N 0.421 120.474 119.950 0.172 0.000 2.259 1289 F HA -0.059 4.469 4.527 0.002 0.000 0.298 1289 F C 2.488 178.196 175.800 -0.153 0.000 1.088 1289 F CA 1.561 59.631 58.000 0.116 0.000 1.358 1289 F CB -0.529 38.602 39.000 0.219 0.000 1.040 1289 F HN -0.091 nan 8.300 nan 0.000 0.505 1290 K N 0.378 120.615 120.400 -0.273 0.000 2.113 1290 K HA -0.163 4.158 4.320 0.002 0.000 0.208 1290 K C 1.820 178.137 176.600 -0.471 0.000 1.047 1290 K CA 1.529 57.339 56.287 -0.796 0.000 0.928 1290 K CB -0.147 31.653 32.500 -1.166 0.000 0.716 1290 K HN 0.157 nan 8.250 nan 0.000 0.446 1291 V N -0.296 119.347 119.914 -0.451 0.000 2.492 1291 V HA -0.093 4.028 4.120 0.002 0.000 0.241 1291 V C 1.965 177.743 176.094 -0.526 0.000 1.041 1291 V CA 1.164 63.155 62.300 -0.515 0.000 1.057 1291 V CB -0.238 31.165 31.823 -0.699 0.000 0.711 1291 V HN 0.369 nan 8.190 nan 0.000 0.468 1292 H N -0.970 117.811 119.070 -0.482 0.000 2.547 1292 H HA 0.209 4.766 4.556 0.002 0.000 0.272 1292 H C 0.361 175.227 175.328 -0.771 0.000 0.971 1292 H CA 0.790 56.432 56.048 -0.677 0.000 1.245 1292 H CB 0.334 29.479 29.762 -1.028 0.000 1.440 1292 H HN 0.475 nan 8.280 nan 0.000 0.540 1293 H N 0.169 119.231 119.070 -0.013 0.000 2.511 1293 H HA 0.139 4.697 4.556 0.002 0.000 0.228 1293 H C -1.855 173.503 175.328 0.049 0.000 1.424 1293 H CA -1.530 54.565 56.048 0.079 0.000 1.321 1293 H CB 1.410 31.300 29.762 0.214 0.000 1.720 1293 H HN 0.192 nan 8.280 nan 0.000 0.512 1294 P HA -0.182 nan 4.420 nan 0.000 0.215 1294 P C 1.786 179.008 177.300 -0.130 0.000 1.157 1294 P CA 0.784 63.859 63.100 -0.041 0.000 0.874 1294 P CB 0.736 32.531 31.700 0.160 0.000 0.790 1295 L N -1.859 119.203 121.223 -0.268 0.000 2.141 1295 L HA -0.148 4.194 4.340 0.002 0.000 0.209 1295 L C 2.520 179.366 176.870 -0.039 0.000 1.094 1295 L CA 0.901 55.583 54.840 -0.264 0.000 0.763 1295 L CB -0.646 41.209 42.059 -0.340 0.000 0.908 1295 L HN -0.060 nan 8.230 nan 0.000 0.437 1296 L N -1.525 119.712 121.223 0.023 0.000 2.056 1296 L HA -0.244 4.098 4.340 0.002 0.000 0.207 1296 L C 2.305 179.187 176.870 0.020 0.000 1.078 1296 L CA 1.617 56.483 54.840 0.044 0.000 0.749 1296 L CB -0.968 41.154 42.059 0.104 0.000 0.901 1296 L HN 0.176 nan 8.230 nan 0.000 0.433 1297 Y N -0.777 119.461 120.300 -0.104 0.000 2.128 1297 Y HA -0.338 4.213 4.550 0.002 0.000 0.284 1297 Y C 2.420 178.185 175.900 -0.225 0.000 1.154 1297 Y CA 1.666 59.642 58.100 -0.206 0.000 1.149 1297 Y CB -0.619 37.624 38.460 -0.362 0.000 0.976 1297 Y HN 0.190 nan 8.280 nan 0.000 0.505 1298 Y N -0.481 119.758 120.300 -0.101 0.000 2.163 1298 Y HA -0.153 4.399 4.550 0.003 0.000 0.288 1298 Y C 2.732 178.647 175.900 0.025 0.000 1.136 1298 Y CA 0.893 58.918 58.100 -0.125 0.000 1.147 1298 Y CB -0.920 37.612 38.460 0.120 0.000 0.987 1298 Y HN 0.210 nan 8.280 nan 0.000 0.509 1299 A N 0.337 123.260 122.820 0.172 0.000 1.873 1299 A HA -0.302 4.019 4.320 0.002 0.000 0.218 1299 A C 2.456 180.096 177.584 0.093 0.000 1.193 1299 A CA 2.616 54.760 52.037 0.177 0.000 0.629 1299 A CB -1.337 17.739 19.000 0.126 0.000 0.826 1299 A HN 0.519 nan 8.150 nan 0.000 0.447 1300 S N -1.947 113.736 115.700 -0.028 0.000 2.382 1300 S HA -0.227 4.244 4.470 0.002 0.000 0.228 1300 S C 1.937 176.441 174.600 -0.160 0.000 1.027 1300 S CA 1.494 59.643 58.200 -0.084 0.000 0.991 1300 S CB -0.801 62.318 63.200 -0.135 0.000 0.823 1300 S HN 0.619 nan 8.310 nan 0.000 0.469 1301 Y N 1.644 121.694 120.300 -0.417 0.000 2.097 1301 Y HA -0.094 4.457 4.550 0.002 0.000 0.282 1301 Y C 1.788 177.413 175.900 -0.458 0.000 1.152 1301 Y CA 2.008 59.769 58.100 -0.565 0.000 1.136 1301 Y CB -0.594 37.291 38.460 -0.958 0.000 0.975 1301 Y HN 0.289 nan 8.280 nan 0.000 0.498 1302 F N -0.860 119.059 119.950 -0.052 0.000 2.325 1302 F HA -0.116 4.412 4.527 0.002 0.000 0.299 1302 F C 2.376 178.138 175.800 -0.064 0.000 1.090 1302 F CA 1.488 59.349 58.000 -0.232 0.000 1.392 1302 F CB -1.043 37.392 39.000 -0.941 0.000 1.053 1302 F HN -0.043 nan 8.300 nan 0.000 0.521 1303 T N -0.588 114.076 114.554 0.184 0.000 2.770 1303 T HA -0.067 4.284 4.350 0.002 0.000 0.258 1303 T C 2.217 177.003 174.700 0.143 0.000 1.039 1303 T CA 1.389 63.679 62.100 0.317 0.000 1.143 1303 T CB -0.433 68.581 68.868 0.244 0.000 0.866 1303 T HN 0.018 nan 8.240 nan 0.000 0.428 1304 V N 1.277 121.183 119.914 -0.014 0.000 2.426 1304 V HA 0.009 4.130 4.120 0.002 0.000 0.242 1304 V C 2.481 178.489 176.094 -0.143 0.000 1.036 1304 V CA 1.341 63.602 62.300 -0.065 0.000 1.044 1304 V CB -0.376 31.390 31.823 -0.094 0.000 0.688 1304 V HN 0.337 nan 8.190 nan 0.000 0.462 1305 R N 0.825 121.118 120.500 -0.346 0.000 2.087 1305 R HA 0.326 4.668 4.340 0.002 0.000 0.216 1305 R C 1.238 177.336 176.300 -0.336 0.000 1.114 1305 R CA 0.752 56.589 56.100 -0.438 0.000 1.002 1305 R CB -0.334 29.495 30.300 -0.784 0.000 0.903 1305 R HN 0.396 nan 8.270 nan 0.000 0.445 1306 A N 1.992 124.606 122.820 -0.343 0.000 2.477 1306 A HA 0.021 4.343 4.320 0.002 0.000 0.246 1306 A C 0.096 177.603 177.584 -0.127 0.000 1.078 1306 A CA 0.183 52.090 52.037 -0.216 0.000 0.770 1306 A CB 0.209 19.160 19.000 -0.081 0.000 1.011 1306 A HN 0.392 nan 8.150 nan 0.000 0.494 1307 E N 0.521 120.560 120.200 -0.268 0.000 2.715 1307 E HA 0.115 4.467 4.350 0.002 0.000 0.224 1307 E C -1.288 175.188 176.600 -0.208 0.000 0.962 1307 E CA 0.037 56.380 56.400 -0.096 0.000 1.145 1307 E CB 0.678 30.371 29.700 -0.012 0.000 1.083 1307 E HN 0.829 nan 8.360 nan 0.000 0.506 1308 D N -0.105 119.947 120.400 -0.580 0.000 2.788 1308 D HA 0.385 5.026 4.640 0.002 0.000 0.247 1308 D C -1.109 174.853 176.300 -0.563 0.000 1.236 1308 D CA -0.326 53.473 54.000 -0.334 0.000 0.898 1308 D CB 1.236 41.937 40.800 -0.166 0.000 1.401 1308 D HN -0.121 nan 8.370 nan 0.000 0.549 1309 F N 0.601 120.587 119.950 0.060 0.000 2.603 1309 F HA 0.404 4.932 4.527 0.002 0.000 0.317 1309 F C -0.178 175.630 175.800 0.014 0.000 1.066 1309 F CA -1.015 57.008 58.000 0.039 0.000 0.941 1309 F CB 1.807 40.837 39.000 0.050 0.000 1.291 1309 F HN 0.093 nan 8.300 nan 0.000 0.472 1310 D N 2.459 122.960 120.400 0.169 0.000 2.432 1310 D HA 0.293 4.934 4.640 0.002 0.000 0.265 1310 D C 0.564 176.890 176.300 0.043 0.000 1.160 1310 D CA -0.006 54.050 54.000 0.094 0.000 0.911 1310 D CB 0.822 41.650 40.800 0.046 0.000 1.052 1310 D HN 0.514 nan 8.370 nan 0.000 0.508 1311 L N 1.791 123.051 121.223 0.061 0.000 2.093 1311 L HA -0.116 4.225 4.340 0.002 0.000 0.208 1311 L C 1.627 178.477 176.870 -0.034 0.000 1.085 1311 L CA 0.817 55.645 54.840 -0.020 0.000 0.755 1311 L CB 0.002 42.074 42.059 0.020 0.000 0.904 1311 L HN 0.270 nan 8.230 nan 0.000 0.435 1312 D N 0.349 120.750 120.400 0.003 0.000 2.123 1312 D HA -0.178 4.464 4.640 0.002 0.000 0.196 1312 D C 2.221 178.508 176.300 -0.021 0.000 0.992 1312 D CA 1.556 55.547 54.000 -0.016 0.000 0.833 1312 D CB -0.089 40.702 40.800 -0.016 0.000 0.954 1312 D HN 0.319 nan 8.370 nan 0.000 0.455 1313 A N 0.868 123.676 122.820 -0.019 0.000 1.858 1313 A HA -0.194 4.127 4.320 0.002 0.000 0.216 1313 A C 2.316 179.873 177.584 -0.046 0.000 1.190 1313 A CA 1.759 53.783 52.037 -0.022 0.000 0.617 1313 A CB -0.703 18.288 19.000 -0.014 0.000 0.827 1313 A HN 0.150 nan 8.150 nan 0.000 0.443 1314 M N -0.732 118.795 119.600 -0.121 0.000 2.149 1314 M HA -0.143 4.339 4.480 0.002 0.000 0.261 1314 M C 2.016 178.265 176.300 -0.086 0.000 1.064 1314 M CA 1.638 56.779 55.300 -0.266 0.000 1.102 1314 M CB -0.546 31.617 32.600 -0.728 0.000 1.369 1314 M HN 0.422 nan 8.290 nan 0.000 0.408 1315 I N -0.410 120.138 120.570 -0.037 0.000 2.286 1315 I HA -0.237 3.935 4.170 0.002 0.000 0.245 1315 I C 2.347 178.501 176.117 0.061 0.000 1.104 1315 I CA 1.118 62.456 61.300 0.063 0.000 1.397 1315 I CB -0.419 37.602 38.000 0.034 0.000 1.072 1315 I HN 0.199 nan 8.210 nan 0.000 0.417 1316 K N 0.926 121.342 120.400 0.027 0.000 2.074 1316 K HA -0.057 4.264 4.320 0.002 0.000 0.209 1316 K C 1.146 177.770 176.600 0.041 0.000 1.048 1316 K CA 1.160 57.462 56.287 0.025 0.000 0.926 1316 K CB -0.342 32.165 32.500 0.011 0.000 0.713 1316 K HN 0.554 nan 8.250 nan 0.000 0.444 1317 G N -0.481 108.350 108.800 0.053 0.000 2.428 1317 G HA2 -0.261 3.700 3.960 0.002 0.000 0.202 1317 G HA3 -0.261 3.700 3.960 0.002 0.000 0.202 1317 G C 0.546 175.477 174.900 0.053 0.000 1.247 1317 G CA 0.041 45.187 45.100 0.076 0.000 1.020 1317 G HN 0.056 nan 8.290 nan 0.000 0.529 1318 S N -0.212 115.518 115.700 0.049 0.000 2.380 1318 S HA -0.159 4.312 4.470 0.002 0.000 0.229 1318 S C 2.874 177.490 174.600 0.026 0.000 1.050 1318 S CA 3.412 61.634 58.200 0.037 0.000 1.100 1318 S CB -0.813 62.401 63.200 0.024 0.000 0.984 1318 S HN 1.979 nan 8.310 nan 0.000 0.434 1319 A N 0.893 123.725 122.820 0.019 0.000 1.930 1319 A HA 0.219 4.540 4.320 0.002 0.000 0.217 1319 A C 2.403 179.995 177.584 0.014 0.000 1.175 1319 A CA 1.864 53.909 52.037 0.014 0.000 0.627 1319 A CB -1.227 17.779 19.000 0.010 0.000 0.815 1319 A HN 0.713 nan 8.150 nan 0.000 0.443 1320 A N 0.111 122.940 122.820 0.014 0.000 1.902 1320 A HA -0.088 4.233 4.320 0.002 0.000 0.217 1320 A C 2.095 179.685 177.584 0.010 0.000 1.181 1320 A CA 1.531 53.574 52.037 0.010 0.000 0.623 1320 A CB -0.641 18.363 19.000 0.008 0.000 0.818 1320 A HN 0.496 nan 8.150 nan 0.000 0.443 1321 I N -0.977 119.601 120.570 0.013 0.000 2.163 1321 I HA -0.278 3.894 4.170 0.002 0.000 0.243 1321 I C 2.712 178.839 176.117 0.017 0.000 1.085 1321 I CA 1.786 63.094 61.300 0.013 0.000 1.347 1321 I CB -0.344 37.670 38.000 0.023 0.000 1.044 1321 I HN 0.349 nan 8.210 nan 0.000 0.408 1322 R N 1.369 121.881 120.500 0.019 0.000 2.081 1322 R HA -0.240 4.101 4.340 0.002 0.000 0.235 1322 R C 2.334 178.643 176.300 0.015 0.000 1.131 1322 R CA 1.820 57.930 56.100 0.018 0.000 0.960 1322 R CB -0.148 30.162 30.300 0.017 0.000 0.856 1322 R HN 0.206 nan 8.270 nan 0.000 0.436 1323 K N -0.085 120.322 120.400 0.013 0.000 2.103 1323 K HA -0.151 4.170 4.320 0.002 0.000 0.207 1323 K C 2.195 178.802 176.600 0.012 0.000 1.048 1323 K CA 1.315 57.608 56.287 0.011 0.000 0.930 1323 K CB 0.050 32.556 32.500 0.009 0.000 0.716 1323 K HN 0.020 nan 8.250 nan 0.000 0.444 1324 R N 0.497 121.005 120.500 0.012 0.000 2.073 1324 R HA -0.007 4.334 4.340 0.002 0.000 0.229 1324 R C 2.266 178.575 176.300 0.015 0.000 1.120 1324 R CA 1.146 57.254 56.100 0.013 0.000 0.967 1324 R CB -0.581 29.727 30.300 0.013 0.000 0.862 1324 R HN 0.340 nan 8.270 nan 0.000 0.436 1325 I N 0.909 121.489 120.570 0.017 0.000 2.226 1325 I HA -0.264 3.908 4.170 0.002 0.000 0.245 1325 I C 1.944 178.071 176.117 0.017 0.000 1.100 1325 I CA 1.416 62.727 61.300 0.018 0.000 1.374 1325 I CB -0.197 37.816 38.000 0.021 0.000 1.057 1325 I HN 0.230 nan 8.210 nan 0.000 0.413 1326 E N 0.408 120.617 120.200 0.015 0.000 2.150 1326 E HA -0.222 4.129 4.350 0.002 0.000 0.193 1326 E C 2.025 178.633 176.600 0.013 0.000 0.985 1326 E CA 0.934 57.343 56.400 0.014 0.000 0.814 1326 E CB -0.030 29.677 29.700 0.013 0.000 0.752 1326 E HN 0.506 nan 8.360 nan 0.000 0.466 1327 E N 0.588 120.796 120.200 0.013 0.000 2.077 1327 E HA -0.182 4.170 4.350 0.002 0.000 0.193 1327 E C 2.056 178.663 176.600 0.012 0.000 0.989 1327 E CA 0.938 57.346 56.400 0.012 0.000 0.800 1327 E CB -0.018 29.689 29.700 0.012 0.000 0.746 1327 E HN 0.271 nan 8.360 nan 0.000 0.452 1328 I N 0.962 121.539 120.570 0.013 0.000 2.286 1328 I HA -0.227 3.944 4.170 0.002 0.000 0.245 1328 I C 1.957 178.082 176.117 0.013 0.000 1.104 1328 I CA 0.835 62.143 61.300 0.013 0.000 1.397 1328 I CB -0.305 37.703 38.000 0.013 0.000 1.072 1328 I HN 0.127 nan 8.210 nan 0.000 0.417 1329 N N 0.972 119.681 118.700 0.015 0.000 2.094 1329 N HA -0.223 4.518 4.740 0.002 0.000 0.191 1329 N C 1.956 177.474 175.510 0.014 0.000 1.023 1329 N CA 1.255 54.314 53.050 0.016 0.000 0.857 1329 N CB -0.177 38.320 38.487 0.017 0.000 1.013 1329 N HN 0.342 nan 8.380 nan 0.000 0.426 1330 A N 1.436 124.264 122.820 0.013 0.000 2.024 1330 A HA -0.152 4.170 4.320 0.002 0.000 0.220 1330 A C 1.867 179.458 177.584 0.010 0.000 1.164 1330 A CA 1.291 53.335 52.037 0.012 0.000 0.643 1330 A CB -0.210 18.796 19.000 0.011 0.000 0.806 1330 A HN 0.229 nan 8.150 nan 0.000 0.451 1331 K N -0.739 119.666 120.400 0.010 0.000 2.504 1331 K HA 0.152 4.474 4.320 0.002 0.000 0.195 1331 K C 1.494 178.099 176.600 0.007 0.000 1.036 1331 K CA 0.322 56.614 56.287 0.008 0.000 0.984 1331 K CB -0.369 32.135 32.500 0.007 0.000 0.788 1331 K HN 0.578 nan 8.250 nan 0.000 0.488 1332 G N 2.435 111.241 108.800 0.009 0.000 2.652 1332 G HA2 -0.369 3.593 3.960 0.002 0.000 0.318 1332 G HA3 -0.369 3.593 3.960 0.002 0.000 0.318 1332 G C 0.831 175.735 174.900 0.006 0.000 1.295 1332 G CA 0.681 45.787 45.100 0.010 0.000 0.999 1332 G HN 0.432 nan 8.290 nan 0.000 0.548 1333 I N -1.426 119.146 120.570 0.003 0.000 3.428 1333 I HA 0.242 4.414 4.170 0.002 0.000 0.286 1333 I C 1.921 178.034 176.117 -0.005 0.000 1.287 1333 I CA 1.364 62.662 61.300 -0.002 0.000 1.396 1333 I CB -0.128 37.868 38.000 -0.006 0.000 1.062 1333 I HN 0.467 nan 8.210 nan 0.000 0.471 1334 Q N 2.121 121.920 119.800 -0.003 0.000 2.387 1334 Q HA 0.264 4.605 4.340 0.002 0.000 0.211 1334 Q C 0.651 176.649 176.000 -0.003 0.000 0.952 1334 Q CA -0.034 55.766 55.803 -0.005 0.000 0.957 1334 Q CB 0.087 28.823 28.738 -0.003 0.000 1.002 1334 Q HN 0.701 nan 8.270 nan 0.000 0.502 1335 A N 1.288 124.107 122.820 -0.002 0.000 2.363 1335 A HA 0.283 4.604 4.320 0.002 0.000 0.270 1335 A C 0.499 178.081 177.584 -0.003 0.000 1.121 1335 A CA -0.506 51.531 52.037 -0.000 0.000 0.800 1335 A CB 0.376 19.378 19.000 0.003 0.000 1.052 1335 A HN 0.277 nan 8.150 nan 0.000 0.493 1336 T N 0.084 114.637 114.554 -0.002 0.000 2.918 1336 T HA 0.407 4.759 4.350 0.002 0.000 0.302 1336 T C 1.400 176.098 174.700 -0.004 0.000 1.045 1336 T CA 0.022 62.120 62.100 -0.004 0.000 1.114 1336 T CB 1.042 69.909 68.868 -0.001 0.000 0.965 1336 T HN 1.380 nan 8.240 nan 0.000 0.540 1337 A N 2.290 125.106 122.820 -0.006 0.000 2.009 1337 A HA -0.167 4.154 4.320 0.002 0.000 0.222 1337 A C 2.321 179.902 177.584 -0.006 0.000 1.175 1337 A CA 1.504 53.537 52.037 -0.006 0.000 0.651 1337 A CB -0.639 18.357 19.000 -0.008 0.000 0.815 1337 A HN 0.770 nan 8.150 nan 0.000 0.459 1338 K N -0.669 119.728 120.400 -0.004 0.000 2.186 1338 K HA 0.025 4.346 4.320 0.002 0.000 0.202 1338 K C 1.739 178.336 176.600 -0.004 0.000 1.052 1338 K CA 1.170 57.454 56.287 -0.005 0.000 0.965 1338 K CB -0.260 32.240 32.500 0.000 0.000 0.746 1338 K HN 0.696 nan 8.250 nan 0.000 0.457 1339 E N 0.837 121.037 120.200 -0.000 0.000 2.150 1339 E HA -0.098 4.254 4.350 0.002 0.000 0.193 1339 E C 1.712 178.313 176.600 0.002 0.000 0.985 1339 E CA 1.038 57.440 56.400 0.002 0.000 0.814 1339 E CB 0.156 29.859 29.700 0.005 0.000 0.752 1339 E HN 0.196 nan 8.360 nan 0.000 0.466 1340 K N -0.030 120.370 120.400 0.001 0.000 2.103 1340 K HA -0.023 4.299 4.320 0.002 0.000 0.204 1340 K C 2.241 178.842 176.600 0.002 0.000 1.052 1340 K CA 1.138 57.428 56.287 0.004 0.000 0.945 1340 K CB 0.094 32.597 32.500 0.005 0.000 0.722 1340 K HN -0.047 nan 8.250 nan 0.000 0.443 1341 S N 1.544 117.239 115.700 -0.008 0.000 2.368 1341 S HA -0.119 4.352 4.470 0.002 0.000 0.224 1341 S C 1.833 176.413 174.600 -0.034 0.000 1.029 1341 S CA 0.855 59.042 58.200 -0.022 0.000 0.988 1341 S CB -0.205 62.973 63.200 -0.036 0.000 0.838 1341 S HN 0.174 nan 8.310 nan 0.000 0.462 1342 L N 1.939 123.143 121.223 -0.032 0.000 2.017 1342 L HA 0.016 4.358 4.340 0.002 0.000 0.208 1342 L C 2.101 178.967 176.870 -0.007 0.000 1.073 1342 L CA 1.441 56.260 54.840 -0.035 0.000 0.745 1342 L CB -0.878 41.171 42.059 -0.016 0.000 0.894 1342 L HN 0.285 nan 8.230 nan 0.000 0.432 1343 L N -0.756 120.470 121.223 0.006 0.000 2.013 1343 L HA -0.235 4.107 4.340 0.002 0.000 0.212 1343 L C 2.335 179.222 176.870 0.028 0.000 1.073 1343 L CA 2.621 57.472 54.840 0.018 0.000 0.753 1343 L CB -1.211 40.860 42.059 0.019 0.000 0.890 1343 L HN 0.380 nan 8.230 nan 0.000 0.432 1344 T N -0.810 113.762 114.554 0.030 0.000 2.635 1344 T HA -0.249 4.102 4.350 0.002 0.000 0.267 1344 T C 1.930 176.668 174.700 0.063 0.000 1.040 1344 T CA 2.376 64.505 62.100 0.049 0.000 1.156 1344 T CB -0.691 68.213 68.868 0.060 0.000 0.863 1344 T HN 0.441 nan 8.240 nan 0.000 0.430 1345 V N 0.813 120.769 119.914 0.070 0.000 2.515 1345 V HA -0.007 4.115 4.120 0.002 0.000 0.250 1345 V C 2.172 178.359 176.094 0.155 0.000 1.058 1345 V CA 1.443 63.828 62.300 0.141 0.000 1.064 1345 V CB -0.826 31.066 31.823 0.114 0.000 0.675 1345 V HN 0.522 nan 8.190 nan 0.000 0.461 1346 L N -0.065 121.208 121.223 0.083 0.000 2.141 1346 L HA -0.106 4.235 4.340 0.002 0.000 0.209 1346 L C 2.786 179.702 176.870 0.076 0.000 1.094 1346 L CA 1.981 56.866 54.840 0.075 0.000 0.763 1346 L CB -0.698 41.384 42.059 0.038 0.000 0.908 1346 L HN 0.399 nan 8.230 nan 0.000 0.437 1347 E N -0.139 120.094 120.200 0.055 0.000 2.070 1347 E HA -0.266 4.085 4.350 0.002 0.000 0.197 1347 E C 2.236 178.865 176.600 0.049 0.000 1.004 1347 E CA 1.822 58.248 56.400 0.043 0.000 0.805 1347 E CB -0.182 29.535 29.700 0.029 0.000 0.744 1347 E HN 0.386 nan 8.360 nan 0.000 0.451 1348 V N -0.093 119.835 119.914 0.023 0.000 2.809 1348 V HA -0.057 4.064 4.120 0.002 0.000 0.256 1348 V C 1.931 178.131 176.094 0.176 0.000 1.080 1348 V CA 1.709 64.016 62.300 0.012 0.000 1.102 1348 V CB -0.022 31.564 31.823 -0.395 0.000 0.705 1348 V HN 0.261 nan 8.190 nan 0.000 0.475 1349 A N 0.361 123.357 122.820 0.293 0.000 1.929 1349 A HA -0.044 4.277 4.320 0.002 0.000 0.216 1349 A C 2.104 179.797 177.584 0.182 0.000 1.176 1349 A CA 1.873 54.112 52.037 0.338 0.000 0.628 1349 A CB -0.623 18.473 19.000 0.160 0.000 0.816 1349 A HN 0.677 nan 8.150 nan 0.000 0.444 1350 L N 0.094 121.383 121.223 0.109 0.000 2.027 1350 L HA -0.118 4.223 4.340 0.002 0.000 0.206 1350 L C 2.272 179.173 176.870 0.051 0.000 1.074 1350 L CA 2.694 57.577 54.840 0.072 0.000 0.745 1350 L CB -0.567 41.523 42.059 0.052 0.000 0.898 1350 L HN 0.573 nan 8.230 nan 0.000 0.433 1351 E N -0.488 119.742 120.200 0.051 0.000 2.085 1351 E HA -0.318 4.034 4.350 0.002 0.000 0.194 1351 E C 2.251 178.857 176.600 0.009 0.000 0.994 1351 E CA 1.867 58.303 56.400 0.060 0.000 0.801 1351 E CB -0.285 29.484 29.700 0.115 0.000 0.743 1351 E HN 0.630 nan 8.360 nan 0.000 0.453 1352 M N 0.271 119.745 119.600 -0.211 0.000 2.082 1352 M HA -0.229 4.253 4.480 0.002 0.000 0.258 1352 M C 2.306 178.571 176.300 -0.058 0.000 1.069 1352 M CA 1.872 56.867 55.300 -0.508 0.000 1.102 1352 M CB -0.184 31.920 32.600 -0.827 0.000 1.336 1352 M HN 0.329 nan 8.290 nan 0.000 0.404 1353 C N 0.607 119.906 119.300 -0.002 0.000 2.440 1353 C HA -0.058 4.404 4.460 0.002 0.000 0.278 1353 C C 2.432 177.418 174.990 -0.008 0.000 1.295 1353 C CA 0.605 59.638 59.018 0.025 0.000 1.738 1353 C CB -1.088 26.694 27.740 0.070 0.000 1.987 1353 C HN 0.553 nan 8.230 nan 0.000 0.492 1354 E N 0.696 120.897 120.200 0.003 0.000 2.338 1354 E HA -0.084 4.267 4.350 0.002 0.000 0.197 1354 E C 2.087 178.663 176.600 -0.040 0.000 1.007 1354 E CA 0.633 57.025 56.400 -0.013 0.000 0.849 1354 E CB -0.339 29.364 29.700 0.006 0.000 0.774 1354 E HN 0.623 nan 8.360 nan 0.000 0.506 1355 R N -0.512 119.976 120.500 -0.021 0.000 2.313 1355 R HA 0.047 4.388 4.340 0.002 0.000 0.199 1355 R C 1.019 177.089 176.300 -0.383 0.000 0.958 1355 R CA 0.700 56.767 56.100 -0.054 0.000 1.047 1355 R CB 0.507 30.936 30.300 0.215 0.000 0.955 1355 R HN 0.234 nan 8.270 nan 0.000 0.481 1356 G N 0.045 108.618 108.800 -0.379 0.000 2.168 1356 G HA2 -0.215 3.746 3.960 0.002 0.000 0.197 1356 G HA3 -0.215 3.746 3.960 0.002 0.000 0.197 1356 G C 0.031 174.596 174.900 -0.558 0.000 0.997 1356 G CA -0.523 44.284 45.100 -0.489 0.000 0.658 1356 G HN 0.191 nan 8.290 nan 0.000 0.513 1357 F N 1.087 121.003 119.950 -0.056 0.000 2.544 1357 F HA 0.847 5.375 4.527 0.002 0.000 0.378 1357 F C 1.007 176.718 175.800 -0.149 0.000 1.112 1357 F CA -0.041 57.900 58.000 -0.098 0.000 1.115 1357 F CB 1.718 40.649 39.000 -0.115 0.000 1.436 1357 F HN 0.508 nan 8.300 nan 0.000 0.496 1358 S N -0.886 114.804 115.700 -0.016 0.000 2.636 1358 S HA 0.628 5.099 4.470 0.002 0.000 0.266 1358 S C -1.743 172.672 174.600 -0.307 0.000 1.147 1358 S CA -1.085 57.045 58.200 -0.117 0.000 0.815 1358 S CB 1.081 64.290 63.200 0.015 0.000 1.119 1358 S HN 0.304 nan 8.310 nan 0.000 0.470 1359 F N 1.387 121.339 119.950 0.003 0.000 2.458 1359 F HA 0.604 5.132 4.527 0.003 0.000 0.336 1359 F C 0.691 176.487 175.800 -0.006 0.000 1.114 1359 F CA -0.646 57.349 58.000 -0.009 0.000 0.987 1359 F CB 1.882 40.858 39.000 -0.040 0.000 1.130 1359 F HN 0.373 nan 8.300 nan 0.000 0.458 1360 K N 1.786 122.274 120.400 0.147 0.000 2.139 1360 K HA 0.367 4.688 4.320 0.002 0.000 0.243 1360 K C -0.499 176.132 176.600 0.052 0.000 0.983 1360 K CA -0.985 55.348 56.287 0.076 0.000 0.890 1360 K CB 1.355 33.878 32.500 0.038 0.000 1.090 1360 K HN 0.585 nan 8.250 nan 0.000 0.445 1361 N N 0.286 119.000 118.700 0.023 0.000 2.297 1361 N HA 0.009 4.750 4.740 0.002 0.000 0.232 1361 N C -0.031 175.458 175.510 -0.034 0.000 1.311 1361 N CA -0.171 52.879 53.050 0.000 0.000 0.897 1361 N CB 0.152 38.638 38.487 -0.002 0.000 1.137 1361 N HN 0.318 nan 8.380 nan 0.000 0.449 1362 I N 0.715 121.261 120.570 -0.041 0.000 2.815 1362 I HA -0.103 4.068 4.170 0.002 0.000 0.291 1362 I C 0.233 176.308 176.117 -0.069 0.000 1.209 1362 I CA 1.001 62.240 61.300 -0.102 0.000 1.431 1362 I CB 0.121 38.099 38.000 -0.037 0.000 1.351 1362 I HN 0.443 nan 8.210 nan 0.000 0.585 1363 D N 5.577 125.900 120.400 -0.129 0.000 2.593 1363 D HA 0.118 4.759 4.640 0.002 0.000 0.251 1363 D C 0.470 176.758 176.300 -0.020 0.000 1.140 1363 D CA -0.584 53.391 54.000 -0.041 0.000 0.855 1363 D CB 1.549 42.336 40.800 -0.022 0.000 1.267 1363 D HN 0.309 nan 8.370 nan 0.000 0.532 1364 L N 4.429 125.670 121.223 0.030 0.000 2.127 1364 L HA -0.127 4.214 4.340 0.002 0.000 0.211 1364 L C 0.878 177.707 176.870 -0.068 0.000 1.089 1364 L CA 1.908 56.739 54.840 -0.015 0.000 0.757 1364 L CB -0.548 41.359 42.059 -0.252 0.000 0.899 1364 L HN 0.535 nan 8.230 nan 0.000 0.434 1365 Y N -2.147 118.256 120.300 0.172 0.000 2.445 1365 Y HA 0.241 4.793 4.550 0.003 0.000 0.247 1365 Y C 2.174 178.122 175.900 0.081 0.000 1.129 1365 Y CA -0.015 58.171 58.100 0.144 0.000 1.251 1365 Y CB 0.229 38.751 38.460 0.105 0.000 1.176 1365 Y HN 0.026 nan 8.280 nan 0.000 0.522 1366 R N -1.278 119.306 120.500 0.141 0.000 2.394 1366 R HA 0.256 4.598 4.340 0.002 0.000 0.220 1366 R C 0.365 176.635 176.300 -0.051 0.000 0.887 1366 R CA 0.076 56.210 56.100 0.057 0.000 1.034 1366 R CB 0.587 30.913 30.300 0.044 0.000 1.179 1366 R HN -0.077 nan 8.270 nan 0.000 0.561 1367 S N 1.617 117.212 115.700 -0.175 0.000 2.564 1367 S HA 0.154 4.626 4.470 0.002 0.000 0.278 1367 S C 0.131 174.515 174.600 -0.360 0.000 1.333 1367 S CA -0.219 57.722 58.200 -0.432 0.000 1.048 1367 S CB 1.210 63.869 63.200 -0.902 0.000 0.900 1367 S HN 0.049 nan 8.310 nan 0.000 0.505 1368 Q N 0.741 120.362 119.800 -0.297 0.000 2.293 1368 Q HA 0.540 4.881 4.340 0.002 0.000 0.216 1368 Q C 1.288 177.261 176.000 -0.046 0.000 1.003 1368 Q CA -0.550 55.197 55.803 -0.093 0.000 0.995 1368 Q CB 0.727 29.438 28.738 -0.046 0.000 1.172 1368 Q HN 0.687 nan 8.270 nan 0.000 0.518 1369 A N 0.109 122.985 122.820 0.093 0.000 1.841 1369 A HA -0.132 4.190 4.320 0.002 0.000 0.214 1369 A C 1.550 179.163 177.584 0.048 0.000 1.195 1369 A CA 2.540 54.665 52.037 0.146 0.000 0.611 1369 A CB -0.565 18.504 19.000 0.116 0.000 0.835 1369 A HN 0.787 nan 8.150 nan 0.000 0.443 1370 T N -3.606 110.962 114.554 0.022 0.000 3.058 1370 T HA 0.281 4.632 4.350 0.002 0.000 0.278 1370 T C 0.166 174.885 174.700 0.032 0.000 0.974 1370 T CA 0.286 62.400 62.100 0.024 0.000 0.893 1370 T CB -0.000 68.907 68.868 0.065 0.000 1.138 1370 T HN 0.450 nan 8.240 nan 0.000 0.529 1371 E N 0.826 121.030 120.200 0.005 0.000 2.156 1371 E HA 0.460 4.811 4.350 0.002 0.000 0.279 1371 E C -1.285 175.322 176.600 0.012 0.000 0.965 1371 E CA -1.038 55.402 56.400 0.068 0.000 0.789 1371 E CB 0.736 30.473 29.700 0.061 0.000 1.098 1371 E HN 0.293 nan 8.360 nan 0.000 0.397 1372 F N 4.184 124.155 119.950 0.035 0.000 2.506 1372 F HA 0.082 4.611 4.527 0.002 0.000 0.371 1372 F C 0.402 176.216 175.800 0.022 0.000 1.078 1372 F CA -0.285 57.736 58.000 0.035 0.000 1.195 1372 F CB 0.731 39.808 39.000 0.127 0.000 1.099 1372 F HN 0.227 nan 8.300 nan 0.000 0.548 1373 V N 3.025 123.000 119.914 0.100 0.000 2.732 1373 V HA 0.557 4.678 4.120 0.002 0.000 0.310 1373 V C -0.119 176.014 176.094 0.065 0.000 1.053 1373 V CA -1.187 61.153 62.300 0.066 0.000 0.957 1373 V CB 1.777 33.608 31.823 0.013 0.000 1.018 1373 V HN 0.531 nan 8.190 nan 0.000 0.452 1374 I N 2.816 123.416 120.570 0.050 0.000 2.395 1374 I HA 0.457 4.629 4.170 0.002 0.000 0.289 1374 I C -0.500 175.635 176.117 0.030 0.000 1.023 1374 I CA 0.473 61.795 61.300 0.035 0.000 1.350 1374 I CB 1.103 39.121 38.000 0.030 0.000 1.409 1374 I HN 0.863 nan 8.210 nan 0.000 0.507 1375 D N 5.319 125.736 120.400 0.028 0.000 2.386 1375 D HA 0.469 5.110 4.640 0.002 0.000 0.247 1375 D C 0.313 176.638 176.300 0.042 0.000 1.336 1375 D CA 0.536 54.554 54.000 0.031 0.000 0.976 1375 D CB 0.907 41.721 40.800 0.024 0.000 1.257 1375 D HN 0.744 nan 8.370 nan 0.000 0.570 1376 G N 4.265 113.096 108.800 0.051 0.000 2.565 1376 G HA2 -0.349 3.612 3.960 0.002 0.000 0.295 1376 G HA3 -0.349 3.612 3.960 0.002 0.000 0.295 1376 G C 0.642 175.605 174.900 0.105 0.000 1.165 1376 G CA 0.175 45.316 45.100 0.068 0.000 0.977 1376 G HN 0.551 nan 8.290 nan 0.000 0.546 1377 N N 1.789 120.567 118.700 0.130 0.000 2.279 1377 N HA 0.370 5.111 4.740 0.002 0.000 0.226 1377 N C 0.032 175.659 175.510 0.195 0.000 1.126 1377 N CA 0.757 53.959 53.050 0.253 0.000 0.846 1377 N CB 0.719 39.350 38.487 0.241 0.000 1.050 1377 N HN 0.389 nan 8.380 nan 0.000 0.502 1378 S N -0.251 115.492 115.700 0.071 0.000 2.751 1378 S HA 0.639 5.111 4.470 0.002 0.000 0.310 1378 S C -0.441 174.129 174.600 -0.050 0.000 1.128 1378 S CA -0.568 57.625 58.200 -0.012 0.000 0.931 1378 S CB 1.963 65.163 63.200 0.000 0.000 1.177 1378 S HN 0.002 nan 8.310 nan 0.000 0.530 1379 L N 1.615 122.781 121.223 -0.096 0.000 2.385 1379 L HA 0.572 4.913 4.340 0.002 0.000 0.273 1379 L C -1.244 175.668 176.870 0.070 0.000 0.990 1379 L CA -0.465 54.379 54.840 0.006 0.000 0.821 1379 L CB 1.512 43.569 42.059 -0.003 0.000 1.279 1379 L HN 0.512 nan 8.230 nan 0.000 0.412 1380 I N 5.380 125.975 120.570 0.040 0.000 2.304 1380 I HA 0.269 4.441 4.170 0.002 0.000 0.291 1380 I C -1.966 174.050 176.117 -0.169 0.000 1.018 1380 I CA -1.870 59.405 61.300 -0.041 0.000 1.260 1380 I CB 1.533 39.487 38.000 -0.077 0.000 1.390 1380 I HN 0.269 nan 8.210 nan 0.000 0.475 1381 P HA 0.175 nan 4.420 nan 0.000 0.271 1381 P C -2.628 174.231 177.300 -0.734 0.000 1.218 1381 P CA -1.310 61.359 63.100 -0.719 0.000 0.780 1381 P CB 0.156 31.598 31.700 -0.431 0.000 0.901 1382 P HA 0.173 nan 4.420 nan 0.000 0.278 1382 P C 0.634 177.635 177.300 -0.498 0.000 1.258 1382 P CA -0.437 62.284 63.100 -0.632 0.000 0.811 1382 P CB 0.640 32.057 31.700 -0.471 0.000 1.063 1383 F N 0.844 120.670 119.950 -0.205 0.000 2.161 1383 F HA -0.214 4.315 4.527 0.002 0.000 0.300 1383 F C 2.275 177.965 175.800 -0.183 0.000 1.089 1383 F CA 2.008 59.904 58.000 -0.174 0.000 1.282 1383 F CB -1.533 37.394 39.000 -0.122 0.000 1.010 1383 F HN 0.353 nan 8.300 nan 0.000 0.485 1384 N N 1.094 119.802 118.700 0.014 0.000 2.573 1384 N HA -0.078 4.663 4.740 0.002 0.000 0.187 1384 N C 1.486 176.961 175.510 -0.057 0.000 1.107 1384 N CA 1.087 54.133 53.050 -0.006 0.000 0.918 1384 N CB -0.654 37.851 38.487 0.030 0.000 0.966 1384 N HN 0.272 nan 8.380 nan 0.000 0.448 1385 A N 0.728 123.428 122.820 -0.201 0.000 2.119 1385 A HA 0.158 4.480 4.320 0.002 0.000 0.217 1385 A C 1.181 178.647 177.584 -0.198 0.000 1.153 1385 A CA -0.079 51.758 52.037 -0.333 0.000 0.692 1385 A CB -0.382 18.184 19.000 -0.723 0.000 0.799 1385 A HN 0.319 nan 8.150 nan 0.000 0.458 1386 I N 1.632 122.081 120.570 -0.202 0.000 2.556 1386 I HA 0.115 4.286 4.170 0.002 0.000 0.284 1386 I C -2.209 173.763 176.117 -0.242 0.000 1.114 1386 I CA -1.920 59.182 61.300 -0.329 0.000 1.418 1386 I CB 0.790 38.473 38.000 -0.529 0.000 1.394 1386 I HN 0.046 nan 8.210 nan 0.000 0.552 1387 P HA 0.026 nan 4.420 nan 0.000 0.264 1387 P C 0.841 178.068 177.300 -0.121 0.000 1.193 1387 P CA 0.572 63.619 63.100 -0.089 0.000 0.763 1387 P CB 0.607 32.295 31.700 -0.021 0.000 0.810 1388 G N 2.349 111.114 108.800 -0.057 0.000 2.253 1388 G HA2 -0.275 3.686 3.960 0.002 0.000 0.251 1388 G HA3 -0.275 3.686 3.960 0.002 0.000 0.251 1388 G C -0.093 174.770 174.900 -0.062 0.000 0.998 1388 G CA -0.149 44.920 45.100 -0.051 0.000 0.621 1388 G HN 0.576 nan 8.290 nan 0.000 0.524 1389 L N 2.174 123.345 121.223 -0.087 0.000 2.259 1389 L HA 0.646 4.988 4.340 0.002 0.000 0.288 1389 L C 1.072 177.924 176.870 -0.031 0.000 1.051 1389 L CA -0.008 54.787 54.840 -0.074 0.000 0.824 1389 L CB 0.489 42.485 42.059 -0.105 0.000 1.206 1389 L HN 0.250 nan 8.230 nan 0.000 0.429 1390 G N 1.562 110.351 108.800 -0.018 0.000 2.511 1390 G HA2 0.244 4.206 3.960 0.002 0.000 0.316 1390 G HA3 0.244 4.206 3.960 0.002 0.000 0.316 1390 G C 0.757 175.664 174.900 0.012 0.000 1.210 1390 G CA -0.074 45.029 45.100 0.005 0.000 0.969 1390 G HN 0.602 nan 8.290 nan 0.000 0.492 1391 T N 0.336 114.905 114.554 0.026 0.000 2.751 1391 T HA -0.236 4.115 4.350 0.002 0.000 0.268 1391 T C 2.124 176.837 174.700 0.021 0.000 1.045 1391 T CA 1.587 63.706 62.100 0.032 0.000 1.142 1391 T CB -0.167 68.723 68.868 0.036 0.000 0.851 1391 T HN 0.515 nan 8.240 nan 0.000 0.474 1392 N N 0.533 119.238 118.700 0.009 0.000 2.092 1392 N HA -0.068 4.674 4.740 0.002 0.000 0.189 1392 N C 1.987 177.489 175.510 -0.014 0.000 1.040 1392 N CA 1.161 54.211 53.050 0.001 0.000 0.845 1392 N CB -0.251 38.235 38.487 -0.002 0.000 1.017 1392 N HN 0.221 nan 8.380 nan 0.000 0.426 1393 V N 2.127 122.023 119.914 -0.030 0.000 2.295 1393 V HA -0.225 3.896 4.120 0.002 0.000 0.246 1393 V C 2.583 178.625 176.094 -0.087 0.000 1.049 1393 V CA 1.819 64.080 62.300 -0.064 0.000 1.024 1393 V CB -1.053 30.723 31.823 -0.079 0.000 0.648 1393 V HN 0.353 nan 8.190 nan 0.000 0.447 1394 A N -0.823 121.972 122.820 -0.042 0.000 1.884 1394 A HA -0.389 3.932 4.320 0.002 0.000 0.219 1394 A C 2.178 179.773 177.584 0.018 0.000 1.197 1394 A CA 2.600 54.646 52.037 0.015 0.000 0.637 1394 A CB -0.642 18.414 19.000 0.093 0.000 0.827 1394 A HN 0.625 nan 8.150 nan 0.000 0.450 1395 Q N -1.258 118.555 119.800 0.022 0.000 2.119 1395 Q HA -0.003 4.339 4.340 0.002 0.000 0.201 1395 Q C 2.417 178.425 176.000 0.013 0.000 0.972 1395 Q CA 1.202 57.025 55.803 0.032 0.000 0.847 1395 Q CB -0.328 28.428 28.738 0.031 0.000 0.903 1395 Q HN 0.715 nan 8.270 nan 0.000 0.433 1396 A N 0.729 123.540 122.820 -0.014 0.000 1.898 1396 A HA -0.170 4.152 4.320 0.002 0.000 0.216 1396 A C 1.980 179.553 177.584 -0.019 0.000 1.181 1396 A CA 1.052 53.079 52.037 -0.016 0.000 0.620 1396 A CB -0.614 18.370 19.000 -0.028 0.000 0.819 1396 A HN 0.331 nan 8.150 nan 0.000 0.442 1397 I N -0.405 120.107 120.570 -0.096 0.000 2.208 1397 I HA -0.232 3.939 4.170 0.002 0.000 0.245 1397 I C 2.303 178.438 176.117 0.029 0.000 1.097 1397 I CA 1.221 62.438 61.300 -0.139 0.000 1.363 1397 I CB -0.323 37.309 38.000 -0.614 0.000 1.051 1397 I HN 0.159 nan 8.210 nan 0.000 0.413 1398 V N 0.488 120.426 119.914 0.039 0.000 2.379 1398 V HA -0.231 3.891 4.120 0.002 0.000 0.245 1398 V C 2.605 178.740 176.094 0.068 0.000 1.044 1398 V CA 1.595 63.964 62.300 0.115 0.000 1.036 1398 V CB -0.692 31.217 31.823 0.142 0.000 0.664 1398 V HN 0.367 nan 8.190 nan 0.000 0.453 1399 R N -0.018 120.508 120.500 0.043 0.000 2.083 1399 R HA -0.199 4.142 4.340 0.002 0.000 0.237 1399 R C 2.346 178.649 176.300 0.006 0.000 1.137 1399 R CA 1.808 57.922 56.100 0.023 0.000 0.951 1399 R CB -0.457 29.854 30.300 0.019 0.000 0.851 1399 R HN 0.515 nan 8.270 nan 0.000 0.434 1400 A N 1.530 124.362 122.820 0.020 0.000 1.877 1400 A HA -0.211 4.111 4.320 0.002 0.000 0.216 1400 A C 2.097 179.577 177.584 -0.173 0.000 1.186 1400 A CA 1.687 53.717 52.037 -0.012 0.000 0.620 1400 A CB -0.549 18.521 19.000 0.117 0.000 0.822 1400 A HN 0.523 nan 8.150 nan 0.000 0.443 1401 R N -0.170 120.199 120.500 -0.218 0.000 2.189 1401 R HA -0.022 4.320 4.340 0.002 0.000 0.218 1401 R C 1.493 177.701 176.300 -0.154 0.000 1.074 1401 R CA 1.614 57.464 56.100 -0.417 0.000 0.991 1401 R CB -0.400 29.742 30.300 -0.263 0.000 0.883 1401 R HN 0.548 nan 8.270 nan 0.000 0.457 1402 E N 1.025 121.188 120.200 -0.061 0.000 2.274 1402 E HA -0.163 4.189 4.350 0.002 0.000 0.194 1402 E C 0.963 177.539 176.600 -0.040 0.000 0.996 1402 E CA 1.273 57.659 56.400 -0.023 0.000 0.840 1402 E CB 0.205 29.909 29.700 0.006 0.000 0.772 1402 E HN 0.647 nan 8.360 nan 0.000 0.491 1403 E N -0.272 119.891 120.200 -0.062 0.000 2.496 1403 E HA 0.211 4.563 4.350 0.002 0.000 0.200 1403 E C -0.100 176.456 176.600 -0.074 0.000 1.016 1403 E CA -0.133 56.236 56.400 -0.052 0.000 0.962 1403 E CB 0.686 30.366 29.700 -0.034 0.000 1.071 1403 E HN 0.078 nan 8.360 nan 0.000 0.457 1404 G N 1.465 110.195 108.800 -0.117 0.000 2.177 1404 G HA2 -0.077 3.885 3.960 0.002 0.000 0.202 1404 G HA3 -0.077 3.885 3.960 0.002 0.000 0.202 1404 G C -0.969 173.786 174.900 -0.241 0.000 1.581 1404 G CA -0.969 44.055 45.100 -0.127 0.000 0.983 1404 G HN 0.167 nan 8.290 nan 0.000 0.689 1405 E N 0.612 120.718 120.200 -0.157 0.000 2.485 1405 E HA 0.175 4.527 4.350 0.002 0.000 0.266 1405 E C -0.011 176.459 176.600 -0.217 0.000 1.137 1405 E CA 0.578 56.901 56.400 -0.128 0.000 1.010 1405 E CB 0.550 30.274 29.700 0.040 0.000 0.986 1405 E HN 0.388 nan 8.360 nan 0.000 0.460 1406 F N 0.867 120.926 119.950 0.182 0.000 2.412 1406 F HA 0.126 4.655 4.527 0.003 0.000 0.348 1406 F C 1.161 177.026 175.800 0.108 0.000 1.102 1406 F CA -0.359 57.697 58.000 0.093 0.000 1.196 1406 F CB 0.440 39.453 39.000 0.022 0.000 1.144 1406 F HN 0.260 nan 8.300 nan 0.000 0.541 1407 L N 1.422 122.791 121.223 0.243 0.000 2.701 1407 L HA 0.254 4.596 4.340 0.002 0.000 0.238 1407 L C 0.248 177.195 176.870 0.128 0.000 1.106 1407 L CA -0.025 54.906 54.840 0.151 0.000 0.898 1407 L CB -0.096 42.023 42.059 0.100 0.000 1.188 1407 L HN 0.688 nan 8.230 nan 0.000 0.508 1408 S N -2.226 113.559 115.700 0.141 0.000 2.636 1408 S HA 0.331 4.803 4.470 0.002 0.000 0.268 1408 S C -0.019 174.619 174.600 0.064 0.000 1.159 1408 S CA -0.930 57.324 58.200 0.090 0.000 0.815 1408 S CB 1.502 64.752 63.200 0.084 0.000 1.130 1408 S HN -0.018 nan 8.310 nan 0.000 0.471 1409 K N 0.513 120.931 120.400 0.029 0.000 2.217 1409 K HA 0.007 4.328 4.320 0.002 0.000 0.202 1409 K C 1.756 178.349 176.600 -0.012 0.000 1.051 1409 K CA 1.198 57.475 56.287 -0.017 0.000 0.952 1409 K CB -0.127 32.365 32.500 -0.013 0.000 0.736 1409 K HN 0.712 nan 8.250 nan 0.000 0.453 1410 E N 1.379 121.603 120.200 0.040 0.000 2.107 1410 E HA -0.203 4.149 4.350 0.002 0.000 0.191 1410 E C 1.601 178.224 176.600 0.040 0.000 0.982 1410 E CA 1.141 57.566 56.400 0.042 0.000 0.809 1410 E CB 0.119 29.867 29.700 0.079 0.000 0.756 1410 E HN 0.162 nan 8.360 nan 0.000 0.459 1411 D N 0.230 120.675 120.400 0.075 0.000 2.097 1411 D HA -0.186 4.456 4.640 0.002 0.000 0.195 1411 D C 2.068 178.451 176.300 0.139 0.000 0.989 1411 D CA 0.804 54.878 54.000 0.123 0.000 0.827 1411 D CB -0.153 40.752 40.800 0.176 0.000 0.966 1411 D HN 0.206 nan 8.370 nan 0.000 0.456 1412 L N 0.692 121.929 121.223 0.023 0.000 2.042 1412 L HA -0.171 4.171 4.340 0.002 0.000 0.210 1412 L C 2.287 179.012 176.870 -0.242 0.000 1.076 1412 L CA 2.053 56.675 54.840 -0.363 0.000 0.749 1412 L CB -1.051 40.566 42.059 -0.736 0.000 0.893 1412 L HN 0.189 nan 8.230 nan 0.000 0.432 1413 Q N -1.385 118.335 119.800 -0.134 0.000 2.020 1413 Q HA -0.230 4.112 4.340 0.002 0.000 0.202 1413 Q C 2.130 178.100 176.000 -0.050 0.000 0.982 1413 Q CA 1.836 57.582 55.803 -0.096 0.000 0.838 1413 Q CB -0.143 28.560 28.738 -0.058 0.000 0.899 1413 Q HN 0.618 nan 8.270 nan 0.000 0.423 1414 Q N 0.417 120.211 119.800 -0.009 0.000 2.002 1414 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 1414 Q C 2.110 178.124 176.000 0.023 0.000 0.988 1414 Q CA 1.685 57.495 55.803 0.011 0.000 0.843 1414 Q CB -0.373 28.384 28.738 0.031 0.000 0.908 1414 Q HN 0.455 nan 8.270 nan 0.000 0.420 1415 R N -0.320 120.219 120.500 0.064 0.000 2.193 1415 R HA 0.023 4.364 4.340 0.002 0.000 0.213 1415 R C 2.053 178.403 176.300 0.084 0.000 1.055 1415 R CA 0.903 57.059 56.100 0.094 0.000 0.995 1415 R CB -0.103 30.294 30.300 0.162 0.000 0.893 1415 R HN 0.300 nan 8.270 nan 0.000 0.459 1416 G N 0.297 109.113 108.800 0.027 0.000 2.986 1416 G HA2 -0.055 3.907 3.960 0.002 0.000 0.213 1416 G HA3 -0.055 3.907 3.960 0.002 0.000 0.213 1416 G C -0.010 174.836 174.900 -0.091 0.000 1.156 1416 G CA -0.343 44.722 45.100 -0.059 0.000 0.763 1416 G HN -0.020 nan 8.290 nan 0.000 0.547 1417 K N -0.952 119.412 120.400 -0.060 0.000 3.181 1417 K HA -0.108 4.214 4.320 0.002 0.000 0.269 1417 K C -0.351 176.205 176.600 -0.073 0.000 1.097 1417 K CA 0.264 56.520 56.287 -0.052 0.000 0.783 1417 K CB -2.195 30.280 32.500 -0.042 0.000 1.267 1417 K HN 0.398 nan 8.250 nan 0.000 0.484 1418 L N 1.030 122.201 121.223 -0.086 0.000 2.296 1418 L HA 0.373 4.714 4.340 0.002 0.000 0.286 1418 L C 1.084 177.918 176.870 -0.060 0.000 1.023 1418 L CA -0.734 54.050 54.840 -0.093 0.000 0.812 1418 L CB 1.660 43.639 42.059 -0.133 0.000 1.223 1418 L HN 0.356 nan 8.230 nan 0.000 0.421 1419 S N 2.003 117.673 115.700 -0.049 0.000 2.589 1419 S HA 0.081 4.552 4.470 0.002 0.000 0.265 1419 S C 0.983 175.568 174.600 -0.025 0.000 1.342 1419 S CA -0.430 57.752 58.200 -0.031 0.000 1.005 1419 S CB 1.176 64.361 63.200 -0.025 0.000 0.909 1419 S HN 0.704 nan 8.310 nan 0.000 0.555 1420 K N 0.451 120.843 120.400 -0.014 0.000 2.063 1420 K HA -0.127 4.194 4.320 0.002 0.000 0.208 1420 K C 2.142 178.745 176.600 0.005 0.000 1.048 1420 K CA 1.948 58.232 56.287 -0.006 0.000 0.928 1420 K CB -0.816 31.683 32.500 -0.001 0.000 0.713 1420 K HN 0.790 nan 8.250 nan 0.000 0.442 1421 T N 1.654 116.214 114.554 0.009 0.000 2.746 1421 T HA -0.126 4.225 4.350 0.002 0.000 0.267 1421 T C 1.761 176.489 174.700 0.046 0.000 1.039 1421 T CA 1.237 63.354 62.100 0.029 0.000 1.142 1421 T CB -0.120 68.762 68.868 0.024 0.000 0.866 1421 T HN 0.148 nan 8.240 nan 0.000 0.444 1422 L N 0.589 121.818 121.223 0.010 0.000 2.093 1422 L HA -0.015 4.326 4.340 0.002 0.000 0.208 1422 L C 2.556 179.447 176.870 0.034 0.000 1.085 1422 L CA 0.624 55.464 54.840 -0.001 0.000 0.755 1422 L CB -0.543 41.477 42.059 -0.065 0.000 0.904 1422 L HN 0.237 nan 8.230 nan 0.000 0.435 1423 L N 0.014 121.237 121.223 0.000 0.000 2.017 1423 L HA -0.208 4.134 4.340 0.002 0.000 0.208 1423 L C 2.622 179.508 176.870 0.026 0.000 1.073 1423 L CA 1.889 56.723 54.840 -0.010 0.000 0.745 1423 L CB -0.797 41.242 42.059 -0.033 0.000 0.894 1423 L HN 0.344 nan 8.230 nan 0.000 0.432 1424 E N -0.769 119.454 120.200 0.039 0.000 2.118 1424 E HA -0.286 4.066 4.350 0.002 0.000 0.195 1424 E C 2.021 178.658 176.600 0.062 0.000 0.992 1424 E CA 1.252 57.675 56.400 0.038 0.000 0.804 1424 E CB -0.389 29.332 29.700 0.035 0.000 0.741 1424 E HN 0.599 nan 8.360 nan 0.000 0.458 1425 Y N 0.981 121.268 120.300 -0.021 0.000 2.145 1425 Y HA -0.183 4.368 4.550 0.002 0.000 0.286 1425 Y C 2.228 178.118 175.900 -0.017 0.000 1.145 1425 Y CA 1.544 59.635 58.100 -0.015 0.000 1.148 1425 Y CB -0.374 38.079 38.460 -0.012 0.000 0.981 1425 Y HN -0.039 nan 8.280 nan 0.000 0.507 1426 L N -0.112 121.246 121.223 0.225 0.000 2.093 1426 L HA -0.177 4.164 4.340 0.002 0.000 0.208 1426 L C 2.603 179.475 176.870 0.004 0.000 1.085 1426 L CA 1.644 56.553 54.840 0.115 0.000 0.755 1426 L CB -0.562 41.547 42.059 0.084 0.000 0.904 1426 L HN 0.262 nan 8.230 nan 0.000 0.435 1427 E N 0.148 120.344 120.200 -0.006 0.000 2.107 1427 E HA -0.170 4.181 4.350 0.002 0.000 0.191 1427 E C 2.307 178.881 176.600 -0.042 0.000 0.982 1427 E CA 1.448 57.835 56.400 -0.022 0.000 0.809 1427 E CB 0.139 29.831 29.700 -0.014 0.000 0.756 1427 E HN 0.484 nan 8.360 nan 0.000 0.459 1428 S N 0.023 115.682 115.700 -0.068 0.000 2.474 1428 S HA -0.050 4.421 4.470 0.002 0.000 0.235 1428 S C 1.687 176.221 174.600 -0.110 0.000 0.997 1428 S CA 0.458 58.606 58.200 -0.087 0.000 0.949 1428 S CB -0.135 63.003 63.200 -0.104 0.000 0.766 1428 S HN 0.111 nan 8.310 nan 0.000 0.517 1429 R N 0.419 120.838 120.500 -0.135 0.000 2.426 1429 R HA 0.340 4.681 4.340 0.002 0.000 0.263 1429 R C 1.411 177.673 176.300 -0.063 0.000 0.961 1429 R CA 0.407 56.432 56.100 -0.125 0.000 1.086 1429 R CB 0.002 30.192 30.300 -0.183 0.000 1.186 1429 R HN 0.557 nan 8.270 nan 0.000 0.537 1430 G N -0.060 108.713 108.800 -0.044 0.000 2.184 1430 G HA2 -0.352 3.610 3.960 0.002 0.000 0.264 1430 G HA3 -0.352 3.610 3.960 0.002 0.000 0.264 1430 G C 1.056 175.953 174.900 -0.005 0.000 0.975 1430 G CA 0.381 45.469 45.100 -0.020 0.000 0.642 1430 G HN 0.452 nan 8.290 nan 0.000 0.536 1431 C N -0.336 118.961 119.300 -0.005 0.000 2.411 1431 C HA 0.099 4.560 4.460 0.002 0.000 0.279 1431 C C 2.189 177.186 174.990 0.012 0.000 1.288 1431 C CA 1.263 60.288 59.018 0.012 0.000 1.764 1431 C CB -0.718 27.036 27.740 0.024 0.000 1.974 1431 C HN 0.437 nan 8.230 nan 0.000 0.498 1432 L N 0.413 121.636 121.223 0.000 0.000 2.769 1432 L HA 0.180 4.521 4.340 0.002 0.000 0.240 1432 L C 1.358 178.237 176.870 0.015 0.000 1.163 1432 L CA 0.897 55.735 54.840 -0.002 0.000 0.962 1432 L CB -0.950 41.095 42.059 -0.023 0.000 1.258 1432 L HN 0.160 nan 8.230 nan 0.000 0.513 1433 D N -0.382 120.029 120.400 0.019 0.000 2.178 1433 D HA -0.154 4.487 4.640 0.002 0.000 0.201 1433 D C 2.172 178.489 176.300 0.029 0.000 0.980 1433 D CA 1.473 55.484 54.000 0.018 0.000 0.842 1433 D CB 0.201 41.010 40.800 0.015 0.000 0.948 1433 D HN 0.348 nan 8.370 nan 0.000 0.472 1434 S N -0.856 114.876 115.700 0.052 0.000 2.607 1434 S HA 0.053 4.525 4.470 0.002 0.000 0.224 1434 S C 0.695 175.336 174.600 0.069 0.000 0.969 1434 S CA -0.159 58.081 58.200 0.065 0.000 0.927 1434 S CB -0.148 63.110 63.200 0.097 0.000 0.772 1434 S HN 0.081 nan 8.310 nan 0.000 0.533 1435 L N 2.268 123.527 121.223 0.059 0.000 2.334 1435 L HA 0.576 4.917 4.340 0.002 0.000 0.273 1435 L C -2.354 174.526 176.870 0.017 0.000 1.013 1435 L CA -2.772 52.102 54.840 0.056 0.000 0.816 1435 L CB 1.704 43.804 42.059 0.068 0.000 1.278 1435 L HN 0.006 nan 8.230 nan 0.000 0.431 1436 P HA 0.085 nan 4.420 nan 0.000 0.274 1436 P C -0.374 176.892 177.300 -0.057 0.000 1.231 1436 P CA -0.340 62.730 63.100 -0.049 0.000 0.790 1436 P CB 1.163 32.821 31.700 -0.070 0.000 0.951 1437 D N 0.401 120.739 120.400 -0.102 0.000 2.116 1437 D HA -0.145 4.497 4.640 0.002 0.000 0.193 1437 D C 0.590 176.913 176.300 0.039 0.000 0.998 1437 D CA 1.984 55.963 54.000 -0.034 0.000 0.836 1437 D CB -0.008 40.793 40.800 0.002 0.000 0.951 1437 D HN 0.704 nan 8.370 nan 0.000 0.449 1438 H N -2.365 116.715 119.070 0.016 0.000 2.977 1438 H HA 0.451 5.008 4.556 0.002 0.000 0.350 1438 H C -0.588 174.754 175.328 0.022 0.000 1.238 1438 H CA -1.073 54.986 56.048 0.019 0.000 1.124 1438 H CB 0.721 30.491 29.762 0.014 0.000 1.866 1438 H HN -0.297 nan 8.280 nan 0.000 0.550 1439 N N 0.954 119.747 118.700 0.156 0.000 2.498 1439 N HA 0.049 4.790 4.740 0.002 0.000 0.287 1439 N C 0.168 175.762 175.510 0.140 0.000 1.097 1439 N CA -0.469 52.638 53.050 0.095 0.000 0.973 1439 N CB 1.717 40.251 38.487 0.078 0.000 1.153 1439 N HN 0.606 nan 8.380 nan 0.000 0.472 1440 Q N 0.548 120.402 119.800 0.089 0.000 2.424 1440 Q HA 0.253 4.595 4.340 0.002 0.000 0.204 1440 Q C -0.039 175.990 176.000 0.048 0.000 0.933 1440 Q CA 0.486 56.341 55.803 0.087 0.000 0.929 1440 Q CB 0.479 29.251 28.738 0.057 0.000 1.037 1440 Q HN 0.475 nan 8.270 nan 0.000 0.511 1441 L N 0.526 121.771 121.223 0.037 0.000 2.342 1441 L HA 0.545 4.886 4.340 0.002 0.000 0.271 1441 L C 0.078 176.958 176.870 0.017 0.000 1.008 1441 L CA -0.440 54.409 54.840 0.015 0.000 0.818 1441 L CB 1.799 43.860 42.059 0.003 0.000 1.296 1441 L HN -0.066 nan 8.230 nan 0.000 0.427 1442 S N 2.444 118.142 115.700 -0.003 0.000 2.540 1442 S HA 0.853 5.325 4.470 0.002 0.000 0.275 1442 S C -1.029 173.540 174.600 -0.052 0.000 1.123 1442 S CA -0.742 57.457 58.200 -0.002 0.000 0.907 1442 S CB 2.117 65.329 63.200 0.020 0.000 1.081 1442 S HN 0.464 nan 8.310 nan 0.000 0.476 1443 L N 1.443 122.639 121.223 -0.044 0.000 2.257 1443 L HA 0.678 5.020 4.340 0.002 0.000 0.257 1443 L C -0.034 176.842 176.870 0.010 0.000 1.033 1443 L CA -1.352 53.414 54.840 -0.123 0.000 0.835 1443 L CB 0.891 42.896 42.059 -0.090 0.000 1.398 1443 L HN 0.689 nan 8.230 nan 0.000 0.429 1444 F N 0.000 119.955 119.950 0.008 0.000 2.286 1444 F HA 0.000 4.528 4.527 0.002 0.000 0.279 1444 F CA 0.000 58.004 58.000 0.007 0.000 1.383 1444 F CB 0.000 39.003 39.000 0.005 0.000 1.145 1444 F HN 0.000 nan 8.300 nan 0.000 0.574