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 1x9n_1_A DATA FIRST_RESID 262 DATA SEQUENCE DPSGYNPAKN NYHPVEDACW KPGQKVPYLA VARTFEKIEE VSARLRXVET DATA SEQUENCE LSNLLRSVVA LSPPDLLPVL YLSLNHLGPP QQGLELGVGD GVLLKAVAQA DATA SEQUENCE TGRQLESVRA EAAEKGDVGL VAEXXXXXXX XXLPPPPLTA SGVFSKFRDI DATA SEQUENCE ARLTGSASTA KKIDIIKGLF VACRHSEARF IARSLSGRLR LGLAEQSVLA DATA SEQUENCE ALSQAVSLTP PGQEFPPAXV DAGKGKTAEA RKTWLEEQGX ILKQTFCEVP DATA SEQUENCE DLDRIIPVLL EHGLERLPEH CKLSPGIPLK PXLAHPTRGI SEVLKRFEEA DATA SEQUENCE AFTCEYKYDG QRAQIHALEG GEVKIFSRNQ EDNTGKYPDI ISRIPKIKLP DATA SEQUENCE SVTSFILDTE AVAWDREKKQ IQPFQVLTTR KRKEVDASEI QVQVCLYAFD DATA SEQUENCE LIYLNGESLV REPLSRRRQL LRENFVETEG EFVFATSLDT KDIEQIAEFL DATA SEQUENCE EQSVKDSCEG LXVKTLDVDA TYEIAKRSHN WLKLKKDYLD GVGDTLDLVV DATA SEQUENCE IGAYLGRGKR AGRYGGFLLA SYDEDSEELQ AICKLGTGFS DEELEEHHQS DATA SEQUENCE LKALVLPSPR PYVRIDGAVI PDHWLDPSAV WEVKCADLSL SPIYPAARGL DATA SEQUENCE VDSDKGISLR FPRFIRVRED KQPEQATTSA QVACLYRKQS 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 262 D HA 0.000 nan 4.640 nan 0.000 0.175 262 D C 0.000 176.383 176.300 0.139 0.000 2.045 262 D CA 0.000 54.063 54.000 0.105 0.000 0.868 262 D CB 0.000 40.857 40.800 0.095 0.000 0.688 263 P HA -0.048 nan 4.420 nan 0.000 0.225 263 P C 1.444 178.862 177.300 0.197 0.000 1.156 263 P CA 0.557 63.766 63.100 0.180 0.000 0.787 263 P CB 0.246 32.024 31.700 0.131 0.000 0.802 264 S N -0.346 115.452 115.700 0.162 0.000 2.442 264 S HA -0.051 4.419 4.470 -0.000 0.000 0.236 264 S C 1.865 176.497 174.600 0.053 0.000 1.007 264 S CA 1.426 59.685 58.200 0.098 0.000 0.965 264 S CB -1.304 61.968 63.200 0.119 0.000 0.773 264 S HN 0.221 nan 8.310 nan 0.000 0.504 265 G N -0.643 108.219 108.800 0.103 0.000 3.233 265 G HA2 0.173 4.133 3.960 -0.000 0.000 0.234 265 G HA3 0.173 4.133 3.960 -0.000 0.000 0.234 265 G C 0.014 174.995 174.900 0.136 0.000 1.137 265 G CA -0.439 44.713 45.100 0.086 0.000 0.763 265 G HN 0.528 nan 8.290 nan 0.000 0.549 266 Y N 1.934 122.267 120.300 0.055 0.000 2.717 266 Y HA 0.258 4.808 4.550 -0.001 0.000 0.330 266 Y C -0.142 175.793 175.900 0.059 0.000 1.217 266 Y CA -0.953 57.195 58.100 0.079 0.000 1.506 266 Y CB 0.650 39.172 38.460 0.103 0.000 1.268 266 Y HN 0.148 nan 8.280 nan 0.000 0.561 267 N N 7.827 126.195 118.700 -0.554 0.000 2.725 267 N HA 0.331 5.070 4.740 -0.000 0.000 0.248 267 N C -2.680 172.508 175.510 -0.536 0.000 1.402 267 N CA -1.916 50.855 53.050 -0.464 0.000 0.766 267 N CB 1.023 39.416 38.487 -0.156 0.000 1.223 267 N HN 0.307 nan 8.380 nan 0.000 0.515 268 P HA 0.066 nan 4.420 nan 0.000 0.244 268 P C 0.318 177.352 177.300 -0.443 0.000 1.211 268 P CA 0.414 63.097 63.100 -0.695 0.000 0.760 268 P CB 0.228 31.605 31.700 -0.537 0.000 0.961 269 A N -0.353 122.292 122.820 -0.292 0.000 2.431 269 A HA 0.128 4.447 4.320 -0.000 0.000 0.239 269 A C 1.162 178.675 177.584 -0.119 0.000 1.230 269 A CA -0.246 51.683 52.037 -0.179 0.000 0.928 269 A CB -0.417 18.502 19.000 -0.135 0.000 1.006 269 A HN 0.237 nan 8.150 nan 0.000 0.520 270 K N 0.225 120.566 120.400 -0.098 0.000 2.159 270 K HA 0.130 4.450 4.320 -0.000 0.000 0.242 270 K C -0.433 176.159 176.600 -0.014 0.000 1.043 270 K CA 0.012 56.283 56.287 -0.027 0.000 0.856 270 K CB 0.146 32.666 32.500 0.033 0.000 1.072 270 K HN 0.270 nan 8.250 nan 0.000 0.514 271 N N 0.378 119.070 118.700 -0.013 0.000 2.472 271 N HA 0.140 4.880 4.740 -0.000 0.000 0.289 271 N C -1.153 174.322 175.510 -0.059 0.000 1.156 271 N CA -0.763 52.274 53.050 -0.022 0.000 0.940 271 N CB 0.724 39.202 38.487 -0.016 0.000 1.200 271 N HN 0.636 nan 8.380 nan 0.000 0.511 272 N N 1.298 119.955 118.700 -0.072 0.000 2.699 272 N HA -0.284 4.456 4.740 -0.000 0.000 0.256 272 N C -1.215 173.999 175.510 -0.494 0.000 0.993 272 N CA 0.750 53.688 53.050 -0.187 0.000 0.759 272 N CB -1.127 37.290 38.487 -0.117 0.000 0.906 272 N HN 0.503 nan 8.380 nan 0.000 0.541 273 Y N 2.267 122.351 120.300 -0.359 0.000 2.605 273 Y HA -0.001 4.549 4.550 -0.000 0.000 0.336 273 Y C 0.668 176.354 175.900 -0.356 0.000 1.111 273 Y CA -0.005 57.896 58.100 -0.333 0.000 1.422 273 Y CB 0.322 38.698 38.460 -0.141 0.000 1.193 273 Y HN 0.171 nan 8.280 nan 0.000 0.526 274 H N 8.683 127.448 119.070 -0.508 0.000 2.641 274 H HA 0.165 4.721 4.556 -0.000 0.000 0.295 274 H C -1.865 173.061 175.328 -0.671 0.000 1.070 274 H CA -2.352 53.451 56.048 -0.408 0.000 1.257 274 H CB 1.154 30.762 29.762 -0.257 0.000 1.393 274 H HN 0.560 nan 8.280 nan 0.000 0.464 275 P HA -0.270 nan 4.420 nan 0.000 0.218 275 P C 1.707 178.882 177.300 -0.208 0.000 1.165 275 P CA 1.236 64.233 63.100 -0.172 0.000 0.922 275 P CB 0.281 31.998 31.700 0.029 0.000 0.794 276 V N -0.892 118.929 119.914 -0.154 0.000 2.358 276 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 276 V C 2.286 178.279 176.094 -0.168 0.000 1.047 276 V CA 2.021 64.236 62.300 -0.142 0.000 1.035 276 V CB -1.344 30.393 31.823 -0.143 0.000 0.658 276 V HN 0.063 nan 8.190 nan 0.000 0.452 277 E N 0.419 120.526 120.200 -0.155 0.000 2.051 277 E HA -0.109 4.241 4.350 -0.000 0.000 0.189 277 E C 1.763 178.294 176.600 -0.115 0.000 0.979 277 E CA 1.154 57.486 56.400 -0.115 0.000 0.803 277 E CB -0.284 29.368 29.700 -0.080 0.000 0.761 277 E HN 0.523 nan 8.360 nan 0.000 0.451 278 D N 0.303 120.575 120.400 -0.215 0.000 2.349 278 D HA 0.129 4.769 4.640 -0.000 0.000 0.224 278 D C 0.179 176.523 176.300 0.073 0.000 1.029 278 D CA 0.225 54.142 54.000 -0.140 0.000 0.879 278 D CB -0.073 40.459 40.800 -0.447 0.000 0.906 278 D HN 0.102 nan 8.370 nan 0.000 0.528 279 A N 0.347 123.089 122.820 -0.130 0.000 2.327 279 A HA 0.274 4.594 4.320 -0.000 0.000 0.255 279 A C 1.170 178.606 177.584 -0.247 0.000 1.099 279 A CA -0.220 51.627 52.037 -0.317 0.000 0.801 279 A CB 0.485 19.033 19.000 -0.753 0.000 1.062 279 A HN 0.456 nan 8.150 nan 0.000 0.496 280 C N -2.776 116.346 119.300 -0.296 0.000 3.226 280 C HA 0.638 5.098 4.460 -0.000 0.000 0.258 280 C C -0.251 174.816 174.990 0.128 0.000 1.688 280 C CA -0.482 58.522 59.018 -0.023 0.000 1.774 280 C CB -2.324 25.460 27.740 0.074 0.000 3.167 280 C HN 0.943 nan 8.230 nan 0.000 0.509 281 W N 0.281 121.520 121.300 -0.102 0.000 3.060 281 W HA 0.741 5.401 4.660 -0.000 0.000 0.346 281 W C -0.990 175.494 176.519 -0.058 0.000 1.194 281 W CA -1.223 56.075 57.345 -0.078 0.000 1.105 281 W CB 0.450 29.851 29.460 -0.099 0.000 1.487 281 W HN -0.204 nan 8.180 nan 0.000 0.592 282 K N 1.627 122.115 120.400 0.146 0.000 2.130 282 K HA 0.368 4.687 4.320 -0.000 0.000 0.268 282 K C -2.354 174.229 176.600 -0.029 0.000 0.983 282 K CA -1.623 54.658 56.287 -0.009 0.000 0.893 282 K CB 1.273 33.785 32.500 0.019 0.000 1.066 282 K HN 0.053 nan 8.250 nan 0.000 0.450 283 P HA -0.087 nan 4.420 nan 0.000 0.265 283 P C 0.531 177.698 177.300 -0.221 0.000 1.187 283 P CA 0.804 63.671 63.100 -0.388 0.000 0.766 283 P CB 0.439 31.544 31.700 -0.992 0.000 0.820 284 G N 1.273 109.990 108.800 -0.138 0.000 2.205 284 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.269 284 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.269 284 G C 0.285 175.188 174.900 0.005 0.000 0.977 284 G CA 0.869 45.933 45.100 -0.061 0.000 0.652 284 G HN 0.781 nan 8.290 nan 0.000 0.539 285 Q N -0.545 119.299 119.800 0.074 0.000 2.185 285 Q HA 0.749 5.088 4.340 -0.000 0.000 0.225 285 Q C 0.076 176.097 176.000 0.035 0.000 0.983 285 Q CA -0.829 55.017 55.803 0.073 0.000 0.950 285 Q CB 0.791 29.595 28.738 0.111 0.000 1.176 285 Q HN 0.053 nan 8.270 nan 0.000 0.510 286 K N 0.634 120.998 120.400 -0.060 0.000 2.258 286 K HA 0.245 4.565 4.320 -0.000 0.000 0.284 286 K C -1.297 175.071 176.600 -0.388 0.000 1.051 286 K CA -0.426 55.758 56.287 -0.173 0.000 0.923 286 K CB 1.101 33.530 32.500 -0.118 0.000 1.046 286 K HN 0.530 nan 8.250 nan 0.000 0.474 287 V N 8.033 127.584 119.914 -0.606 0.000 2.540 287 V HA 0.114 4.233 4.120 -0.000 0.000 0.297 287 V C -1.908 173.852 176.094 -0.557 0.000 1.024 287 V CA -1.154 60.554 62.300 -0.986 0.000 1.105 287 V CB 0.307 31.590 31.823 -0.899 0.000 0.938 287 V HN 0.815 nan 8.190 nan 0.000 0.482 288 P HA 0.076 nan 4.420 nan 0.000 0.281 288 P C 0.228 177.413 177.300 -0.191 0.000 1.252 288 P CA -0.200 62.761 63.100 -0.232 0.000 0.778 288 P CB 0.636 32.253 31.700 -0.138 0.000 0.895 289 Y N 3.943 124.122 120.300 -0.202 0.000 2.193 289 Y HA -0.220 4.330 4.550 -0.000 0.000 0.285 289 Y C 2.070 177.876 175.900 -0.157 0.000 1.166 289 Y CA 1.574 59.559 58.100 -0.192 0.000 1.181 289 Y CB -0.423 37.952 38.460 -0.141 0.000 0.976 289 Y HN 0.222 nan 8.280 nan 0.000 0.520 290 L N -0.355 120.866 121.223 -0.005 0.000 2.127 290 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 290 L C 2.353 179.181 176.870 -0.069 0.000 1.089 290 L CA 1.879 56.730 54.840 0.018 0.000 0.757 290 L CB -1.204 40.925 42.059 0.116 0.000 0.899 290 L HN 0.432 nan 8.230 nan 0.000 0.434 291 A N -0.613 122.135 122.820 -0.120 0.000 1.877 291 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 291 A C 2.219 179.697 177.584 -0.176 0.000 1.186 291 A CA 1.851 53.835 52.037 -0.088 0.000 0.620 291 A CB -0.822 18.016 19.000 -0.271 0.000 0.822 291 A HN 0.307 nan 8.150 nan 0.000 0.443 292 V N -0.254 119.370 119.914 -0.483 0.000 2.490 292 V HA -0.218 3.901 4.120 -0.000 0.000 0.250 292 V C 2.930 178.309 176.094 -1.192 0.000 1.061 292 V CA 1.885 63.696 62.300 -0.815 0.000 1.064 292 V CB -1.121 30.085 31.823 -1.028 0.000 0.670 292 V HN 0.623 nan 8.190 nan 0.000 0.461 293 A N -0.036 122.201 122.820 -0.972 0.000 1.898 293 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 293 A C 2.321 179.648 177.584 -0.428 0.000 1.183 293 A CA 1.433 52.962 52.037 -0.847 0.000 0.622 293 A CB -0.439 18.391 19.000 -0.282 0.000 0.824 293 A HN 0.420 nan 8.150 nan 0.000 0.444 294 R N -0.364 120.034 120.500 -0.170 0.000 2.105 294 R HA -0.092 4.247 4.340 -0.000 0.000 0.239 294 R C 2.142 178.389 176.300 -0.089 0.000 1.135 294 R CA 2.175 58.258 56.100 -0.029 0.000 0.967 294 R CB -0.723 29.626 30.300 0.081 0.000 0.861 294 R HN 0.526 nan 8.270 nan 0.000 0.442 295 T N 0.413 114.888 114.554 -0.132 0.000 2.643 295 T HA -0.112 4.237 4.350 -0.000 0.000 0.264 295 T C 1.301 175.992 174.700 -0.014 0.000 1.045 295 T CA 1.377 63.415 62.100 -0.104 0.000 1.155 295 T CB -0.331 68.490 68.868 -0.078 0.000 0.863 295 T HN 0.055 nan 8.240 nan 0.000 0.420 296 F N 1.686 121.439 119.950 -0.328 0.000 2.087 296 F HA -0.124 4.402 4.527 -0.000 0.000 0.299 296 F C 2.498 178.169 175.800 -0.215 0.000 1.100 296 F CA 0.841 58.598 58.000 -0.404 0.000 1.226 296 F CB -1.194 37.220 39.000 -0.978 0.000 0.983 296 F HN 0.306 nan 8.300 nan 0.000 0.479 297 E N -0.018 120.220 120.200 0.064 0.000 2.049 297 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 297 E C 2.229 178.885 176.600 0.092 0.000 1.007 297 E CA 1.379 57.906 56.400 0.212 0.000 0.809 297 E CB 0.058 29.883 29.700 0.208 0.000 0.749 297 E HN 0.138 nan 8.360 nan 0.000 0.450 298 K N 0.131 120.541 120.400 0.017 0.000 2.148 298 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 298 K C 2.104 178.694 176.600 -0.017 0.000 1.050 298 K CA 0.749 57.022 56.287 -0.023 0.000 0.942 298 K CB -0.179 32.267 32.500 -0.089 0.000 0.724 298 K HN 0.266 nan 8.250 nan 0.000 0.446 299 I N 1.115 121.682 120.570 -0.004 0.000 2.233 299 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 299 I C 2.043 178.159 176.117 -0.002 0.000 1.093 299 I CA 1.175 62.466 61.300 -0.014 0.000 1.380 299 I CB -0.147 37.843 38.000 -0.017 0.000 1.067 299 I HN 0.159 nan 8.210 nan 0.000 0.413 300 E N 0.386 120.602 120.200 0.027 0.000 2.265 300 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 300 E C 1.747 178.367 176.600 0.032 0.000 0.996 300 E CA 0.782 57.205 56.400 0.039 0.000 0.832 300 E CB -0.064 29.696 29.700 0.100 0.000 0.756 300 E HN 0.405 nan 8.360 nan 0.000 0.491 301 E N 0.043 120.261 120.200 0.029 0.000 2.401 301 E HA -0.063 4.287 4.350 -0.000 0.000 0.199 301 E C -0.300 176.301 176.600 0.002 0.000 1.023 301 E CA 0.301 56.711 56.400 0.017 0.000 0.859 301 E CB 0.458 30.163 29.700 0.009 0.000 0.780 301 E HN -0.092 nan 8.360 nan 0.000 0.523 302 V N -1.487 118.425 119.914 -0.004 0.000 3.040 302 V HA 0.173 4.292 4.120 -0.000 0.000 0.312 302 V C 0.426 176.511 176.094 -0.014 0.000 1.115 302 V CA -0.418 61.874 62.300 -0.013 0.000 0.998 302 V CB 1.995 33.805 31.823 -0.021 0.000 1.042 302 V HN -0.081 nan 8.190 nan 0.000 0.433 303 S N 1.876 117.567 115.700 -0.016 0.000 2.510 303 S HA 0.277 4.747 4.470 -0.000 0.000 0.230 303 S C 0.990 175.577 174.600 -0.020 0.000 1.066 303 S CA 0.625 58.815 58.200 -0.016 0.000 0.941 303 S CB 0.031 63.223 63.200 -0.014 0.000 0.829 303 S HN 1.048 nan 8.310 nan 0.000 0.530 304 A N 2.382 125.189 122.820 -0.021 0.000 2.553 304 A HA 0.125 4.445 4.320 -0.000 0.000 0.258 304 A C 1.161 178.728 177.584 -0.028 0.000 1.069 304 A CA 0.123 52.146 52.037 -0.023 0.000 0.767 304 A CB -0.114 18.873 19.000 -0.022 0.000 0.997 304 A HN 0.534 nan 8.150 nan 0.000 0.512 305 R N 2.018 122.501 120.500 -0.029 0.000 2.120 305 R HA -0.092 4.247 4.340 -0.000 0.000 0.234 305 R C 1.589 177.866 176.300 -0.037 0.000 1.123 305 R CA 1.393 57.473 56.100 -0.033 0.000 0.975 305 R CB -0.194 30.087 30.300 -0.032 0.000 0.866 305 R HN 0.873 nan 8.270 nan 0.000 0.446 306 L N 0.305 121.508 121.223 -0.033 0.000 2.093 306 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 306 L C 1.612 178.459 176.870 -0.038 0.000 1.085 306 L CA 0.777 55.596 54.840 -0.035 0.000 0.755 306 L CB -0.310 41.733 42.059 -0.028 0.000 0.904 306 L HN 0.092 nan 8.230 nan 0.000 0.435 310 E N 1.320 121.480 120.200 -0.066 0.000 2.077 310 E HA -0.193 4.156 4.350 -0.000 0.000 0.193 310 E C 1.772 178.308 176.600 -0.106 0.000 0.989 310 E CA 2.548 58.904 56.400 -0.072 0.000 0.800 310 E CB -0.162 29.502 29.700 -0.060 0.000 0.746 310 E HN 0.614 nan 8.360 nan 0.000 0.452 311 T N 1.033 115.520 114.554 -0.112 0.000 2.674 311 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 311 T C 1.682 176.301 174.700 -0.136 0.000 1.039 311 T CA 1.217 63.224 62.100 -0.155 0.000 1.150 311 T CB -0.444 68.348 68.868 -0.126 0.000 0.864 311 T HN 0.137 nan 8.240 nan 0.000 0.427 312 L N 1.444 122.619 121.223 -0.079 0.000 2.013 312 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 312 L C 2.633 179.471 176.870 -0.053 0.000 1.073 312 L CA 1.957 56.769 54.840 -0.047 0.000 0.753 312 L CB -1.198 40.843 42.059 -0.030 0.000 0.890 312 L HN 0.233 nan 8.230 nan 0.000 0.432 313 S N -0.524 115.137 115.700 -0.065 0.000 2.380 313 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 313 S C 1.903 176.475 174.600 -0.046 0.000 1.043 313 S CA 1.809 59.978 58.200 -0.051 0.000 1.038 313 S CB -0.440 62.728 63.200 -0.054 0.000 0.872 313 S HN 0.659 nan 8.310 nan 0.000 0.456 314 N N 1.172 119.786 118.700 -0.144 0.000 2.120 314 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 314 N C 1.691 177.160 175.510 -0.068 0.000 1.024 314 N CA 1.326 54.201 53.050 -0.292 0.000 0.852 314 N CB -0.790 37.148 38.487 -0.914 0.000 1.003 314 N HN 0.446 nan 8.380 nan 0.000 0.424 315 L N 1.314 122.541 121.223 0.007 0.000 2.027 315 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 315 L C 2.013 178.990 176.870 0.179 0.000 1.074 315 L CA 1.296 56.254 54.840 0.196 0.000 0.745 315 L CB -0.743 41.400 42.059 0.140 0.000 0.898 315 L HN 0.089 nan 8.230 nan 0.000 0.433 316 L N -0.517 120.757 121.223 0.084 0.000 2.013 316 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 316 L C 2.832 179.768 176.870 0.110 0.000 1.073 316 L CA 1.897 56.778 54.840 0.067 0.000 0.753 316 L CB -0.594 41.474 42.059 0.015 0.000 0.890 316 L HN 0.315 nan 8.230 nan 0.000 0.432 317 R N -0.743 119.832 120.500 0.125 0.000 2.120 317 R HA -0.107 4.232 4.340 -0.000 0.000 0.234 317 R C 2.453 178.864 176.300 0.184 0.000 1.123 317 R CA 1.454 57.641 56.100 0.146 0.000 0.975 317 R CB -0.305 30.094 30.300 0.166 0.000 0.866 317 R HN 0.260 nan 8.270 nan 0.000 0.446 318 S N 0.199 116.050 115.700 0.252 0.000 2.371 318 S HA -0.067 4.402 4.470 -0.000 0.000 0.224 318 S C 2.103 176.906 174.600 0.338 0.000 1.029 318 S CA 0.971 59.301 58.200 0.216 0.000 0.978 318 S CB -0.047 63.263 63.200 0.183 0.000 0.833 318 S HN 0.054 nan 8.310 nan 0.000 0.466 319 V N 1.544 121.695 119.914 0.396 0.000 2.287 319 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 319 V C 2.306 178.522 176.094 0.203 0.000 1.053 319 V CA 1.569 64.059 62.300 0.318 0.000 1.027 319 V CB -0.798 31.102 31.823 0.128 0.000 0.646 319 V HN 0.312 nan 8.190 nan 0.000 0.447 320 V N 0.077 120.078 119.914 0.145 0.000 2.223 320 V HA -0.287 3.833 4.120 -0.000 0.000 0.244 320 V C 2.738 178.910 176.094 0.129 0.000 1.045 320 V CA 2.295 64.659 62.300 0.107 0.000 1.000 320 V CB -1.198 30.674 31.823 0.082 0.000 0.635 320 V HN 0.565 nan 8.190 nan 0.000 0.445 321 A N -0.855 122.049 122.820 0.140 0.000 1.917 321 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 321 A C 2.193 179.911 177.584 0.225 0.000 1.182 321 A CA 2.143 54.277 52.037 0.161 0.000 0.633 321 A CB -0.476 18.599 19.000 0.125 0.000 0.819 321 A HN 0.497 nan 8.150 nan 0.000 0.448 322 L N -2.068 119.278 121.223 0.205 0.000 2.298 322 L HA 0.113 4.453 4.340 -0.000 0.000 0.209 322 L C 0.264 177.246 176.870 0.188 0.000 1.084 322 L CA 0.911 55.856 54.840 0.174 0.000 0.816 322 L CB 0.275 42.398 42.059 0.105 0.000 0.967 322 L HN 0.302 nan 8.230 nan 0.000 0.460 323 S N -1.301 114.532 115.700 0.222 0.000 2.630 323 S HA 0.195 4.665 4.470 -0.000 0.000 0.173 323 S C -2.016 172.630 174.600 0.077 0.000 1.048 323 S CA -0.537 57.755 58.200 0.154 0.000 1.172 323 S CB 0.945 64.266 63.200 0.201 0.000 1.638 323 S HN -0.060 nan 8.310 nan 0.000 0.429 324 P HA -0.100 nan 4.420 nan 0.000 0.216 324 P C -1.690 175.618 177.300 0.013 0.000 1.154 324 P CA 1.497 64.621 63.100 0.040 0.000 0.865 324 P CB -0.980 30.741 31.700 0.035 0.000 0.789 325 P HA -0.106 nan 4.420 nan 0.000 0.226 325 P C 0.678 177.965 177.300 -0.022 0.000 1.146 325 P CA 1.358 64.456 63.100 -0.003 0.000 0.773 325 P CB -0.366 31.333 31.700 -0.001 0.000 0.772 326 D N -2.006 118.369 120.400 -0.040 0.000 2.354 326 D HA -0.002 4.638 4.640 -0.000 0.000 0.209 326 D C 1.606 177.849 176.300 -0.094 0.000 1.015 326 D CA 0.061 54.011 54.000 -0.084 0.000 0.867 326 D CB -0.505 40.208 40.800 -0.145 0.000 0.933 326 D HN -0.028 nan 8.370 nan 0.000 0.520 327 L N 0.564 121.750 121.223 -0.062 0.000 2.013 327 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 327 L C 1.890 178.686 176.870 -0.124 0.000 1.073 327 L CA 1.444 56.241 54.840 -0.072 0.000 0.753 327 L CB -0.679 41.356 42.059 -0.040 0.000 0.890 327 L HN 0.055 nan 8.230 nan 0.000 0.432 328 L N -0.056 121.094 121.223 -0.121 0.000 1.970 328 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 328 L C -0.301 176.412 176.870 -0.263 0.000 1.071 328 L CA 2.250 56.981 54.840 -0.180 0.000 0.751 328 L CB -2.145 39.874 42.059 -0.067 0.000 0.889 328 L HN 0.173 nan 8.230 nan 0.000 0.432 329 P HA -0.155 nan 4.420 nan 0.000 0.214 329 P C 2.098 179.226 177.300 -0.287 0.000 1.163 329 P CA 1.744 64.591 63.100 -0.423 0.000 0.889 329 P CB -0.099 31.486 31.700 -0.191 0.000 0.790 330 V N -0.633 119.166 119.914 -0.191 0.000 2.332 330 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 330 V C 2.554 178.581 176.094 -0.111 0.000 1.055 330 V CA 1.697 63.909 62.300 -0.148 0.000 1.038 330 V CB -1.450 30.285 31.823 -0.148 0.000 0.651 330 V HN 0.049 nan 8.190 nan 0.000 0.450 331 L N -1.510 119.614 121.223 -0.166 0.000 1.989 331 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 331 L C 2.527 179.326 176.870 -0.119 0.000 1.071 331 L CA 2.130 56.865 54.840 -0.176 0.000 0.749 331 L CB -0.723 41.164 42.059 -0.288 0.000 0.890 331 L HN 0.278 nan 8.230 nan 0.000 0.431 332 Y N -0.165 120.042 120.300 -0.154 0.000 2.181 332 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 332 Y C 2.521 178.457 175.900 0.059 0.000 1.146 332 Y CA 0.812 58.864 58.100 -0.081 0.000 1.164 332 Y CB -0.100 38.137 38.460 -0.371 0.000 0.982 332 Y HN 0.098 nan 8.280 nan 0.000 0.515 333 L N -0.763 120.572 121.223 0.187 0.000 1.970 333 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 333 L C 2.406 179.493 176.870 0.362 0.000 1.071 333 L CA 1.818 56.841 54.840 0.306 0.000 0.751 333 L CB -0.836 41.352 42.059 0.214 0.000 0.889 333 L HN 0.183 nan 8.230 nan 0.000 0.432 334 S N -0.158 115.724 115.700 0.305 0.000 2.419 334 S HA -0.110 4.359 4.470 -0.000 0.000 0.233 334 S C 1.861 176.499 174.600 0.063 0.000 1.016 334 S CA 0.961 59.313 58.200 0.254 0.000 0.974 334 S CB -0.254 63.070 63.200 0.207 0.000 0.786 334 S HN 0.315 nan 8.310 nan 0.000 0.492 335 L N 1.384 122.668 121.223 0.102 0.000 2.492 335 L HA 0.139 4.479 4.340 -0.000 0.000 0.223 335 L C 0.688 177.534 176.870 -0.039 0.000 1.132 335 L CA 0.264 55.158 54.840 0.090 0.000 0.850 335 L CB -0.806 41.397 42.059 0.241 0.000 0.966 335 L HN 0.468 nan 8.230 nan 0.000 0.454 336 N N 0.708 119.438 118.700 0.051 0.000 2.688 336 N HA -0.226 4.513 4.740 -0.000 0.000 0.258 336 N C -0.549 174.851 175.510 -0.184 0.000 1.016 336 N CA 0.276 53.331 53.050 0.008 0.000 0.747 336 N CB -0.607 37.847 38.487 -0.054 0.000 0.895 336 N HN 0.514 nan 8.380 nan 0.000 0.543 337 H N -0.658 118.595 119.070 0.306 0.000 2.851 337 H HA 0.273 4.829 4.556 -0.001 0.000 0.372 337 H C 0.837 176.300 175.328 0.225 0.000 1.158 337 H CA -0.937 55.262 56.048 0.253 0.000 1.159 337 H CB 1.211 31.150 29.762 0.295 0.000 1.757 337 H HN -0.002 nan 8.280 nan 0.000 0.546 338 L N 1.177 122.529 121.223 0.216 0.000 2.313 338 L HA 0.286 4.626 4.340 -0.000 0.000 0.214 338 L C 1.125 177.871 176.870 -0.207 0.000 1.119 338 L CA 0.860 55.715 54.840 0.025 0.000 0.809 338 L CB -0.165 41.862 42.059 -0.053 0.000 0.933 338 L HN 0.810 nan 8.230 nan 0.000 0.449 339 G N -1.231 107.379 108.800 -0.317 0.000 2.367 339 G HA2 0.155 4.115 3.960 -0.000 0.000 0.272 339 G HA3 0.155 4.115 3.960 -0.000 0.000 0.272 339 G C -3.028 171.889 174.900 0.029 0.000 1.271 339 G CA -0.853 43.996 45.100 -0.418 0.000 0.893 339 G HN -0.273 nan 8.290 nan 0.000 0.485 340 P HA 0.235 nan 4.420 nan 0.000 0.268 340 P C -1.668 175.666 177.300 0.056 0.000 1.204 340 P CA -1.000 62.175 63.100 0.125 0.000 0.768 340 P CB 0.972 32.733 31.700 0.102 0.000 0.842 341 P HA -0.229 nan 4.420 nan 0.000 0.215 341 P C 0.835 178.166 177.300 0.052 0.000 1.157 341 P CA 1.856 64.969 63.100 0.022 0.000 0.874 341 P CB -0.128 31.577 31.700 0.008 0.000 0.790 342 Q N -0.494 119.346 119.800 0.065 0.000 2.515 342 Q HA -0.026 4.314 4.340 -0.000 0.000 0.212 342 Q C 1.898 177.945 176.000 0.079 0.000 0.970 342 Q CA 0.872 56.746 55.803 0.119 0.000 0.941 342 Q CB -1.156 27.702 28.738 0.199 0.000 0.998 342 Q HN 0.443 nan 8.270 nan 0.000 0.518 343 Q N 0.342 120.172 119.800 0.051 0.000 2.424 343 Q HA 0.148 4.488 4.340 -0.000 0.000 0.204 343 Q C 0.371 176.384 176.000 0.022 0.000 0.933 343 Q CA 0.252 56.075 55.803 0.033 0.000 0.929 343 Q CB 0.216 28.969 28.738 0.025 0.000 1.037 343 Q HN 0.594 nan 8.270 nan 0.000 0.511 344 G N 2.251 111.068 108.800 0.029 0.000 2.395 344 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.292 344 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.292 344 G C -0.394 174.512 174.900 0.010 0.000 0.953 344 G CA 0.026 45.140 45.100 0.024 0.000 1.207 344 G HN 0.147 nan 8.290 nan 0.000 0.503 345 L N 0.325 121.551 121.223 0.004 0.000 2.395 345 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 345 L C 0.274 177.143 176.870 -0.001 0.000 1.133 345 L CA -0.249 54.584 54.840 -0.012 0.000 0.812 345 L CB 0.984 43.021 42.059 -0.036 0.000 1.125 345 L HN 0.368 nan 8.230 nan 0.000 0.452 346 E N 4.118 124.310 120.200 -0.013 0.000 2.263 346 E HA 0.110 4.460 4.350 -0.000 0.000 0.268 346 E C 0.404 176.986 176.600 -0.030 0.000 0.884 346 E CA -0.654 55.740 56.400 -0.010 0.000 0.766 346 E CB 2.042 31.741 29.700 -0.002 0.000 1.196 346 E HN 0.456 nan 8.360 nan 0.000 0.416 347 L N 2.961 124.159 121.223 -0.042 0.000 1.997 347 L HA -0.212 4.127 4.340 -0.000 0.000 0.216 347 L C 1.554 178.389 176.870 -0.059 0.000 1.074 347 L CA 3.069 57.864 54.840 -0.075 0.000 0.763 347 L CB -0.642 41.351 42.059 -0.110 0.000 0.890 347 L HN 1.041 nan 8.230 nan 0.000 0.434 348 G N -2.246 106.529 108.800 -0.041 0.000 2.189 348 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 348 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 348 G C 0.424 175.304 174.900 -0.033 0.000 0.975 348 G CA 0.388 45.469 45.100 -0.031 0.000 0.644 348 G HN 0.452 nan 8.290 nan 0.000 0.537 349 V N 0.724 120.610 119.914 -0.046 0.000 2.811 349 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 349 V C 1.429 177.505 176.094 -0.030 0.000 1.063 349 V CA 0.276 62.553 62.300 -0.039 0.000 1.088 349 V CB 1.138 32.928 31.823 -0.056 0.000 0.982 349 V HN 0.685 nan 8.190 nan 0.000 0.485 350 G N 1.085 109.873 108.800 -0.020 0.000 2.642 350 G HA2 0.288 4.248 3.960 -0.000 0.000 0.291 350 G HA3 0.288 4.248 3.960 -0.000 0.000 0.291 350 G C 0.401 175.293 174.900 -0.013 0.000 1.345 350 G CA -0.213 44.877 45.100 -0.017 0.000 1.043 350 G HN 0.622 nan 8.290 nan 0.000 0.528 351 D N -0.247 120.146 120.400 -0.012 0.000 2.088 351 D HA -0.118 4.522 4.640 -0.000 0.000 0.191 351 D C 2.638 178.935 176.300 -0.005 0.000 0.992 351 D CA 1.870 55.865 54.000 -0.008 0.000 0.831 351 D CB -0.712 40.080 40.800 -0.013 0.000 0.973 351 D HN 0.398 nan 8.370 nan 0.000 0.447 352 G N 0.461 109.256 108.800 -0.007 0.000 2.442 352 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 352 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 352 G C 1.899 176.799 174.900 -0.000 0.000 1.141 352 G CA 1.226 46.322 45.100 -0.006 0.000 0.763 352 G HN 0.273 nan 8.290 nan 0.000 0.554 353 V N 1.028 120.943 119.914 0.001 0.000 2.270 353 V HA -0.143 3.976 4.120 -0.000 0.000 0.245 353 V C 2.642 178.749 176.094 0.022 0.000 1.043 353 V CA 1.613 63.918 62.300 0.007 0.000 1.014 353 V CB -0.768 31.055 31.823 0.001 0.000 0.645 353 V HN 0.378 nan 8.190 nan 0.000 0.447 354 L N -0.131 121.107 121.223 0.024 0.000 2.021 354 L HA -0.205 4.134 4.340 -0.000 0.000 0.215 354 L C 2.287 179.185 176.870 0.046 0.000 1.074 354 L CA 2.013 56.886 54.840 0.055 0.000 0.760 354 L CB -0.959 41.127 42.059 0.045 0.000 0.889 354 L HN 0.138 nan 8.230 nan 0.000 0.433 355 L N 0.365 121.597 121.223 0.015 0.000 1.978 355 L HA -0.269 4.071 4.340 -0.000 0.000 0.218 355 L C 2.757 179.620 176.870 -0.011 0.000 1.075 355 L CA 2.620 57.457 54.840 -0.006 0.000 0.767 355 L CB -1.511 40.542 42.059 -0.010 0.000 0.890 355 L HN 0.547 nan 8.230 nan 0.000 0.434 356 K N -0.599 119.801 120.400 -0.000 0.000 2.032 356 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 356 K C 2.032 178.638 176.600 0.009 0.000 1.048 356 K CA 1.509 57.796 56.287 -0.000 0.000 0.927 356 K CB -0.772 31.730 32.500 0.004 0.000 0.712 356 K HN 0.234 nan 8.250 nan 0.000 0.441 357 A N 2.370 125.213 122.820 0.038 0.000 1.881 357 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 357 A C 2.626 180.228 177.584 0.029 0.000 1.215 357 A CA 2.804 54.891 52.037 0.084 0.000 0.648 357 A CB -1.273 17.831 19.000 0.173 0.000 0.832 357 A HN 0.158 nan 8.150 nan 0.000 0.455 358 V N -0.225 119.657 119.914 -0.052 0.000 2.231 358 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 358 V C 3.031 179.026 176.094 -0.165 0.000 1.054 358 V CA 2.453 64.603 62.300 -0.251 0.000 1.015 358 V CB -1.775 29.898 31.823 -0.250 0.000 0.638 358 V HN 0.709 nan 8.190 nan 0.000 0.444 359 A N -0.650 122.114 122.820 -0.093 0.000 1.927 359 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 359 A C 2.213 179.767 177.584 -0.049 0.000 1.185 359 A CA 2.432 54.430 52.037 -0.065 0.000 0.639 359 A CB -0.634 18.342 19.000 -0.040 0.000 0.820 359 A HN 0.695 nan 8.150 nan 0.000 0.451 360 Q N -0.909 118.873 119.800 -0.031 0.000 1.985 360 Q HA -0.221 4.119 4.340 -0.000 0.000 0.207 360 Q C 2.504 178.495 176.000 -0.016 0.000 0.996 360 Q CA 1.749 57.545 55.803 -0.011 0.000 0.851 360 Q CB -0.491 28.254 28.738 0.012 0.000 0.921 360 Q HN 0.691 nan 8.270 nan 0.000 0.418 361 A N 0.983 123.790 122.820 -0.022 0.000 1.978 361 A HA -0.165 4.154 4.320 -0.000 0.000 0.220 361 A C 2.162 179.715 177.584 -0.051 0.000 1.170 361 A CA 1.964 53.990 52.037 -0.018 0.000 0.636 361 A CB -0.754 18.244 19.000 -0.003 0.000 0.810 361 A HN 0.579 nan 8.150 nan 0.000 0.448 362 T N -3.605 110.897 114.554 -0.087 0.000 3.100 362 T HA 0.376 4.725 4.350 -0.000 0.000 0.253 362 T C 1.320 175.994 174.700 -0.044 0.000 1.118 362 T CA 0.818 62.872 62.100 -0.077 0.000 1.058 362 T CB -0.292 68.516 68.868 -0.101 0.000 0.953 362 T HN 1.627 nan 8.240 nan 0.000 0.515 363 G N 1.920 110.700 108.800 -0.033 0.000 2.323 363 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 363 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 363 G C -0.024 174.861 174.900 -0.024 0.000 1.040 363 G CA 0.067 45.154 45.100 -0.021 0.000 0.942 363 G HN 0.659 nan 8.290 nan 0.000 0.506 364 R N -1.361 119.120 120.500 -0.032 0.000 2.902 364 R HA 0.639 4.979 4.340 -0.000 0.000 0.258 364 R C -0.185 176.100 176.300 -0.024 0.000 1.071 364 R CA -0.992 55.091 56.100 -0.029 0.000 1.024 364 R CB 0.804 31.081 30.300 -0.038 0.000 1.184 364 R HN 0.204 nan 8.270 nan 0.000 0.492 365 Q N 0.946 120.735 119.800 -0.019 0.000 2.230 365 Q HA 0.137 4.477 4.340 -0.000 0.000 0.253 365 Q C 0.565 176.555 176.000 -0.017 0.000 0.919 365 Q CA -0.263 55.531 55.803 -0.015 0.000 0.908 365 Q CB 1.459 30.191 28.738 -0.010 0.000 1.245 365 Q HN 0.420 nan 8.270 nan 0.000 0.437 366 L N 2.416 123.630 121.223 -0.015 0.000 2.123 366 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 366 L C 1.540 178.402 176.870 -0.014 0.000 1.081 366 L CA 2.022 56.853 54.840 -0.016 0.000 0.772 366 L CB -0.327 41.726 42.059 -0.011 0.000 0.890 366 L HN 0.746 nan 8.230 nan 0.000 0.437 367 E N -0.929 119.265 120.200 -0.010 0.000 2.007 367 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 367 E C 2.486 179.081 176.600 -0.009 0.000 0.999 367 E CA 1.502 57.898 56.400 -0.007 0.000 0.811 367 E CB -0.745 28.953 29.700 -0.003 0.000 0.762 367 E HN 0.483 nan 8.360 nan 0.000 0.450 368 S N -0.639 115.055 115.700 -0.010 0.000 2.368 368 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 368 S C 2.099 176.689 174.600 -0.017 0.000 1.044 368 S CA 1.763 59.957 58.200 -0.011 0.000 1.062 368 S CB -0.531 62.662 63.200 -0.012 0.000 0.931 368 S HN 0.134 nan 8.310 nan 0.000 0.440 369 V N 2.293 122.192 119.914 -0.025 0.000 2.219 369 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 369 V C 2.634 178.711 176.094 -0.028 0.000 1.053 369 V CA 2.530 64.808 62.300 -0.035 0.000 1.009 369 V CB -0.978 30.817 31.823 -0.047 0.000 0.636 369 V HN 0.550 nan 8.190 nan 0.000 0.445 370 R N 0.258 120.745 120.500 -0.022 0.000 2.133 370 R HA -0.285 4.055 4.340 -0.000 0.000 0.245 370 R C 2.263 178.556 176.300 -0.012 0.000 1.137 370 R CA 2.322 58.412 56.100 -0.017 0.000 0.947 370 R CB -0.749 29.544 30.300 -0.012 0.000 0.865 370 R HN 0.504 nan 8.270 nan 0.000 0.437 371 A N 0.578 123.393 122.820 -0.007 0.000 1.859 371 A HA -0.285 4.034 4.320 -0.000 0.000 0.217 371 A C 2.128 179.711 177.584 -0.003 0.000 1.198 371 A CA 1.918 53.955 52.037 0.000 0.000 0.629 371 A CB -0.942 18.061 19.000 0.006 0.000 0.830 371 A HN 0.677 nan 8.150 nan 0.000 0.446 372 E N -0.371 119.825 120.200 -0.008 0.000 2.070 372 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 372 E C 2.161 178.752 176.600 -0.015 0.000 1.004 372 E CA 1.304 57.697 56.400 -0.011 0.000 0.805 372 E CB -0.289 29.400 29.700 -0.018 0.000 0.744 372 E HN 0.554 nan 8.360 nan 0.000 0.451 373 A N 1.156 123.964 122.820 -0.020 0.000 1.877 373 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 373 A C 2.433 180.007 177.584 -0.016 0.000 1.186 373 A CA 1.973 53.997 52.037 -0.021 0.000 0.620 373 A CB -0.939 18.047 19.000 -0.023 0.000 0.822 373 A HN 0.434 nan 8.150 nan 0.000 0.443 374 A N 0.419 123.230 122.820 -0.015 0.000 1.892 374 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 374 A C 1.987 179.563 177.584 -0.013 0.000 1.188 374 A CA 2.422 54.449 52.037 -0.016 0.000 0.631 374 A CB -0.589 18.401 19.000 -0.017 0.000 0.822 374 A HN 0.737 nan 8.150 nan 0.000 0.447 375 E N 0.205 120.403 120.200 -0.004 0.000 2.028 375 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 375 E C 1.737 178.335 176.600 -0.004 0.000 0.984 375 E CA 1.627 58.030 56.400 0.005 0.000 0.800 375 E CB -0.335 29.376 29.700 0.019 0.000 0.758 375 E HN 0.428 nan 8.360 nan 0.000 0.448 376 K N -0.046 120.349 120.400 -0.008 0.000 2.362 376 K HA 0.023 4.342 4.320 -0.000 0.000 0.200 376 K C 1.281 177.871 176.600 -0.017 0.000 1.046 376 K CA 0.854 57.133 56.287 -0.013 0.000 0.952 376 K CB -0.315 32.176 32.500 -0.016 0.000 0.753 376 K HN 0.465 nan 8.250 nan 0.000 0.466 377 G N 2.572 111.362 108.800 -0.016 0.000 2.168 377 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 377 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 377 G C -0.423 174.468 174.900 -0.015 0.000 0.997 377 G CA 0.740 45.830 45.100 -0.017 0.000 0.708 377 G HN 0.470 nan 8.290 nan 0.000 0.520 378 D N -1.623 118.768 120.400 -0.016 0.000 2.470 378 D HA 0.456 5.096 4.640 -0.000 0.000 0.233 378 D C 1.111 177.400 176.300 -0.018 0.000 1.372 378 D CA -0.274 53.716 54.000 -0.015 0.000 0.994 378 D CB 1.244 42.031 40.800 -0.021 0.000 1.377 378 D HN 0.032 nan 8.370 nan 0.000 0.586 379 V N 3.594 123.502 119.914 -0.010 0.000 2.407 379 V HA -0.056 4.064 4.120 -0.000 0.000 0.248 379 V C 2.554 178.638 176.094 -0.018 0.000 1.055 379 V CA 2.250 64.543 62.300 -0.012 0.000 1.049 379 V CB -0.610 31.217 31.823 0.007 0.000 0.662 379 V HN 0.795 nan 8.190 nan 0.000 0.455 380 G N -0.391 108.404 108.800 -0.009 0.000 2.517 380 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.222 380 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.222 380 G C 1.483 176.351 174.900 -0.054 0.000 1.109 380 G CA 0.895 45.979 45.100 -0.026 0.000 0.746 380 G HN 0.407 nan 8.290 nan 0.000 0.576 381 L N 0.599 121.791 121.223 -0.051 0.000 2.202 381 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 381 L C 2.926 179.765 176.870 -0.050 0.000 1.083 381 L CA 0.807 55.617 54.840 -0.050 0.000 0.790 381 L CB -0.426 41.608 42.059 -0.041 0.000 0.942 381 L HN 0.194 nan 8.230 nan 0.000 0.452 382 V N -0.456 119.425 119.914 -0.055 0.000 3.186 382 V HA -0.125 3.995 4.120 -0.000 0.000 0.270 382 V C 2.616 178.644 176.094 -0.110 0.000 1.149 382 V CA 1.109 63.368 62.300 -0.069 0.000 1.160 382 V CB -1.450 30.334 31.823 -0.065 0.000 0.758 382 V HN 0.388 nan 8.190 nan 0.000 0.516 383 A N 0.069 122.819 122.820 -0.117 0.000 1.970 383 A HA 0.017 4.336 4.320 -0.000 0.000 0.216 383 A C 1.305 178.797 177.584 -0.153 0.000 1.170 383 A CA 0.526 52.444 52.037 -0.199 0.000 0.645 383 A CB -0.076 18.855 19.000 -0.116 0.000 0.816 383 A HN 0.667 nan 8.150 nan 0.000 0.447 395 P HA 0.480 nan 4.420 nan 0.000 0.275 395 P C -2.491 174.808 177.300 -0.003 0.000 1.228 395 P CA -0.755 62.345 63.100 -0.000 0.000 0.786 395 P CB -0.028 31.670 31.700 -0.004 0.000 0.927 396 P HA 0.152 nan 4.420 nan 0.000 0.272 396 P C -2.414 174.880 177.300 -0.009 0.000 1.243 396 P CA -0.735 62.361 63.100 -0.008 0.000 0.803 396 P CB -1.199 30.493 31.700 -0.013 0.000 0.974 397 P HA 0.275 nan 4.420 nan 0.000 0.272 397 P C -2.332 174.960 177.300 -0.012 0.000 1.230 397 P CA -1.060 62.034 63.100 -0.009 0.000 0.788 397 P CB -1.199 30.494 31.700 -0.011 0.000 0.949 398 P HA 0.109 nan 4.420 nan 0.000 0.269 398 P C -0.502 176.792 177.300 -0.011 0.000 1.215 398 P CA 0.035 63.136 63.100 0.001 0.000 0.780 398 P CB 0.309 32.018 31.700 0.015 0.000 0.898 399 L N 1.568 122.789 121.223 -0.003 0.000 2.410 399 L HA 0.154 4.493 4.340 -0.000 0.000 0.273 399 L C 1.026 177.890 176.870 -0.010 0.000 1.152 399 L CA 0.318 55.138 54.840 -0.033 0.000 0.855 399 L CB 0.162 42.183 42.059 -0.063 0.000 1.129 399 L HN 0.341 nan 8.230 nan 0.000 0.463 400 T N 2.177 116.700 114.554 -0.052 0.000 2.845 400 T HA 0.304 4.653 4.350 -0.000 0.000 0.288 400 T C 1.100 175.774 174.700 -0.043 0.000 0.980 400 T CA 0.073 62.134 62.100 -0.065 0.000 1.071 400 T CB 1.764 70.582 68.868 -0.082 0.000 0.941 400 T HN 0.751 nan 8.240 nan 0.000 0.487 401 A N 3.150 125.934 122.820 -0.059 0.000 1.892 401 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 401 A C 2.405 179.975 177.584 -0.024 0.000 1.188 401 A CA 2.452 54.478 52.037 -0.019 0.000 0.631 401 A CB -0.964 17.932 19.000 -0.173 0.000 0.822 401 A HN 0.820 nan 8.150 nan 0.000 0.447 402 S N -0.180 115.485 115.700 -0.059 0.000 2.383 402 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 402 S C 2.032 176.641 174.600 0.015 0.000 1.026 402 S CA 1.036 59.233 58.200 -0.004 0.000 0.981 402 S CB -0.955 62.227 63.200 -0.029 0.000 0.818 402 S HN 0.758 nan 8.310 nan 0.000 0.472 403 G N 1.742 110.512 108.800 -0.049 0.000 2.402 403 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 403 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 403 G C 1.432 176.239 174.900 -0.155 0.000 1.162 403 G CA 0.864 45.914 45.100 -0.083 0.000 0.777 403 G HN 0.430 nan 8.290 nan 0.000 0.539 404 V N 0.475 120.251 119.914 -0.231 0.000 2.295 404 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 404 V C 2.336 178.083 176.094 -0.578 0.000 1.049 404 V CA 1.895 63.897 62.300 -0.498 0.000 1.024 404 V CB -0.647 30.795 31.823 -0.635 0.000 0.648 404 V HN 0.378 nan 8.190 nan 0.000 0.447 405 F N 2.166 121.870 119.950 -0.410 0.000 2.134 405 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 405 F C 2.667 178.396 175.800 -0.120 0.000 1.097 405 F CA 1.782 59.636 58.000 -0.243 0.000 1.264 405 F CB -0.536 38.431 39.000 -0.055 0.000 1.001 405 F HN 0.247 nan 8.300 nan 0.000 0.479 406 S N 0.136 115.746 115.700 -0.149 0.000 2.383 406 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 406 S C 1.999 176.492 174.600 -0.179 0.000 1.026 406 S CA 0.837 58.910 58.200 -0.212 0.000 0.981 406 S CB -0.546 62.607 63.200 -0.077 0.000 0.818 406 S HN 0.333 nan 8.310 nan 0.000 0.472 407 K N 1.156 121.464 120.400 -0.154 0.000 2.057 407 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 407 K C 1.819 178.452 176.600 0.054 0.000 1.049 407 K CA 1.145 57.385 56.287 -0.078 0.000 0.931 407 K CB -0.633 31.803 32.500 -0.107 0.000 0.714 407 K HN 0.523 nan 8.250 nan 0.000 0.440 408 F N 1.651 121.494 119.950 -0.178 0.000 2.069 408 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 408 F C 2.505 178.168 175.800 -0.230 0.000 1.113 408 F CA 0.710 58.603 58.000 -0.178 0.000 1.214 408 F CB -0.179 38.739 39.000 -0.136 0.000 0.978 408 F HN 0.061 nan 8.300 nan 0.000 0.474 409 R N 0.325 120.725 120.500 -0.167 0.000 2.200 409 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 409 R C 1.259 177.481 176.300 -0.129 0.000 1.127 409 R CA 1.291 57.248 56.100 -0.240 0.000 0.989 409 R CB -0.604 29.446 30.300 -0.416 0.000 0.869 409 R HN 0.360 nan 8.270 nan 0.000 0.459 410 D N 0.957 121.304 120.400 -0.088 0.000 2.110 410 D HA -0.014 4.626 4.640 -0.000 0.000 0.202 410 D C 2.063 178.337 176.300 -0.044 0.000 0.975 410 D CA 0.678 54.642 54.000 -0.060 0.000 0.839 410 D CB -0.203 40.568 40.800 -0.049 0.000 0.996 410 D HN 0.082 nan 8.370 nan 0.000 0.464 411 I N 1.424 121.976 120.570 -0.029 0.000 2.113 411 I HA -0.362 3.808 4.170 -0.000 0.000 0.242 411 I C 2.413 178.502 176.117 -0.047 0.000 1.057 411 I CA 1.495 62.774 61.300 -0.035 0.000 1.314 411 I CB -0.436 37.538 38.000 -0.044 0.000 1.022 411 I HN -0.050 nan 8.210 nan 0.000 0.408 412 A N 0.402 123.188 122.820 -0.058 0.000 1.978 412 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 412 A C 2.385 179.941 177.584 -0.047 0.000 1.170 412 A CA 1.544 53.547 52.037 -0.057 0.000 0.636 412 A CB -0.580 18.379 19.000 -0.067 0.000 0.810 412 A HN 0.376 nan 8.150 nan 0.000 0.448 413 R N -0.950 119.521 120.500 -0.049 0.000 2.148 413 R HA 0.119 4.459 4.340 -0.000 0.000 0.223 413 R C 0.070 176.351 176.300 -0.032 0.000 1.088 413 R CA 0.125 56.200 56.100 -0.042 0.000 0.985 413 R CB -0.350 29.922 30.300 -0.046 0.000 0.880 413 R HN 0.413 nan 8.270 nan 0.000 0.451 414 L N 3.095 124.299 121.223 -0.031 0.000 2.617 414 L HA -0.023 4.317 4.340 -0.000 0.000 0.282 414 L C 0.757 177.614 176.870 -0.022 0.000 1.174 414 L CA 0.143 54.968 54.840 -0.025 0.000 1.016 414 L CB -0.238 41.806 42.059 -0.024 0.000 1.337 414 L HN 0.270 nan 8.230 nan 0.000 0.460 415 T N -0.327 114.215 114.554 -0.020 0.000 2.804 415 T HA 0.837 5.187 4.350 -0.000 0.000 0.272 415 T C 0.515 175.207 174.700 -0.014 0.000 0.986 415 T CA -0.008 62.082 62.100 -0.017 0.000 0.999 415 T CB 1.980 70.837 68.868 -0.017 0.000 1.307 415 T HN 0.715 nan 8.240 nan 0.000 0.586 416 G N 0.995 109.787 108.800 -0.013 0.000 2.752 416 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.234 416 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.234 416 G C -0.066 174.828 174.900 -0.011 0.000 1.367 416 G CA -0.350 44.743 45.100 -0.011 0.000 0.879 416 G HN 1.788 nan 8.290 nan 0.000 0.563 417 S N 0.032 115.727 115.700 -0.009 0.000 2.549 417 S HA 0.534 5.004 4.470 -0.000 0.000 0.286 417 S C 1.543 176.139 174.600 -0.008 0.000 1.314 417 S CA 1.261 59.456 58.200 -0.008 0.000 1.062 417 S CB 1.192 64.388 63.200 -0.007 0.000 0.865 417 S HN 2.637 nan 8.310 nan 0.000 0.498 418 A N 1.443 124.258 122.820 -0.007 0.000 3.413 418 A HA -0.260 4.060 4.320 -0.000 0.000 0.268 418 A C 1.845 179.425 177.584 -0.007 0.000 1.128 418 A CA 1.393 53.426 52.037 -0.006 0.000 1.062 418 A CB -2.892 16.105 19.000 -0.006 0.000 1.121 418 A HN 1.684 nan 8.150 nan 0.000 0.895 419 S N -1.452 114.243 115.700 -0.009 0.000 2.419 419 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 419 S C 1.640 176.234 174.600 -0.010 0.000 1.016 419 S CA 1.944 60.138 58.200 -0.010 0.000 0.974 419 S CB -0.954 62.238 63.200 -0.013 0.000 0.786 419 S HN 0.817 nan 8.310 nan 0.000 0.492 420 T N 2.915 117.464 114.554 -0.008 0.000 2.684 420 T HA -0.012 4.337 4.350 -0.000 0.000 0.267 420 T C 2.254 176.952 174.700 -0.003 0.000 1.036 420 T CA 1.540 63.636 62.100 -0.007 0.000 1.148 420 T CB -0.877 67.988 68.868 -0.006 0.000 0.863 420 T HN 0.642 nan 8.240 nan 0.000 0.436 421 A N 2.028 124.847 122.820 -0.001 0.000 1.908 421 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 421 A C 2.269 179.854 177.584 0.002 0.000 1.181 421 A CA 1.527 53.565 52.037 0.002 0.000 0.627 421 A CB -0.425 18.576 19.000 0.001 0.000 0.818 421 A HN 0.421 nan 8.150 nan 0.000 0.445 422 K N 0.054 120.452 120.400 -0.002 0.000 2.009 422 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 422 K C 2.005 178.602 176.600 -0.005 0.000 1.049 422 K CA 1.612 57.897 56.287 -0.005 0.000 0.929 422 K CB -0.351 32.144 32.500 -0.009 0.000 0.714 422 K HN 0.473 nan 8.250 nan 0.000 0.440 423 K N 0.860 121.255 120.400 -0.008 0.000 2.044 423 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 423 K C 2.251 178.851 176.600 0.000 0.000 1.049 423 K CA 1.444 57.725 56.287 -0.011 0.000 0.927 423 K CB -0.334 32.156 32.500 -0.016 0.000 0.713 423 K HN 0.203 nan 8.250 nan 0.000 0.443 424 I N 1.099 121.675 120.570 0.011 0.000 2.208 424 I HA -0.263 3.906 4.170 -0.000 0.000 0.245 424 I C 1.746 177.884 176.117 0.036 0.000 1.097 424 I CA 1.450 62.768 61.300 0.030 0.000 1.363 424 I CB -0.862 37.155 38.000 0.029 0.000 1.051 424 I HN 0.130 nan 8.210 nan 0.000 0.413 425 D N 1.614 122.026 120.400 0.020 0.000 2.106 425 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 425 D C 2.262 178.571 176.300 0.014 0.000 0.997 425 D CA 1.515 55.526 54.000 0.018 0.000 0.834 425 D CB -0.169 40.635 40.800 0.007 0.000 0.956 425 D HN 0.337 nan 8.370 nan 0.000 0.448 426 I N 0.126 120.697 120.570 0.001 0.000 2.179 426 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 426 I C 2.343 178.442 176.117 -0.030 0.000 1.088 426 I CA 0.812 62.104 61.300 -0.014 0.000 1.357 426 I CB -0.515 37.476 38.000 -0.015 0.000 1.051 426 I HN 0.040 nan 8.210 nan 0.000 0.409 427 I N 1.727 122.284 120.570 -0.023 0.000 2.118 427 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 427 I C 2.727 178.829 176.117 -0.025 0.000 1.070 427 I CA 2.161 63.411 61.300 -0.082 0.000 1.327 427 I CB -0.459 37.559 38.000 0.031 0.000 1.034 427 I HN 0.309 nan 8.210 nan 0.000 0.405 428 K N 1.610 122.101 120.400 0.151 0.000 2.063 428 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 428 K C 1.977 178.661 176.600 0.140 0.000 1.048 428 K CA 1.851 58.282 56.287 0.239 0.000 0.928 428 K CB -1.435 31.153 32.500 0.146 0.000 0.713 428 K HN 0.289 nan 8.250 nan 0.000 0.442 429 G N 1.704 110.532 108.800 0.046 0.000 2.545 429 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 429 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 429 G C 1.559 176.446 174.900 -0.022 0.000 1.218 429 G CA 1.312 46.418 45.100 0.010 0.000 0.787 429 G HN 0.270 nan 8.290 nan 0.000 0.571 430 L N -0.618 120.543 121.223 -0.104 0.000 2.030 430 L HA -0.240 4.099 4.340 -0.000 0.000 0.222 430 L C 2.877 179.644 176.870 -0.171 0.000 1.082 430 L CA 1.777 56.496 54.840 -0.202 0.000 0.785 430 L CB -0.501 41.365 42.059 -0.321 0.000 0.895 430 L HN 0.272 nan 8.230 nan 0.000 0.439 431 F N -0.787 119.168 119.950 0.010 0.000 2.069 431 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 431 F C 2.351 178.154 175.800 0.005 0.000 1.113 431 F CA 1.448 59.456 58.000 0.013 0.000 1.214 431 F CB -0.606 38.404 39.000 0.017 0.000 0.978 431 F HN -0.134 nan 8.300 nan 0.000 0.474 432 V N -0.329 119.697 119.914 0.187 0.000 2.720 432 V HA -0.258 3.862 4.120 -0.000 0.000 0.256 432 V C 2.249 178.378 176.094 0.058 0.000 1.082 432 V CA 1.476 63.837 62.300 0.101 0.000 1.101 432 V CB -1.622 30.241 31.823 0.066 0.000 0.693 432 V HN 0.389 nan 8.190 nan 0.000 0.479 433 A N -1.426 121.417 122.820 0.039 0.000 2.021 433 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 433 A C 1.410 179.003 177.584 0.015 0.000 1.163 433 A CA 0.453 52.494 52.037 0.006 0.000 0.676 433 A CB -0.590 18.391 19.000 -0.032 0.000 0.818 433 A HN 0.549 nan 8.150 nan 0.000 0.453 434 C N -0.179 119.150 119.300 0.047 0.000 2.634 434 C HA 0.180 4.639 4.460 -0.000 0.000 0.417 434 C C 1.952 176.977 174.990 0.058 0.000 1.334 434 C CA 0.208 59.273 59.018 0.078 0.000 1.829 434 C CB -0.312 27.519 27.740 0.151 0.000 2.665 434 C HN 0.652 nan 8.230 nan 0.000 0.614 435 R N -0.200 120.337 120.500 0.061 0.000 2.164 435 R HA 0.139 4.478 4.340 -0.000 0.000 0.198 435 R C 1.279 177.477 176.300 -0.169 0.000 1.028 435 R CA 0.414 56.480 56.100 -0.056 0.000 1.083 435 R CB 0.110 30.384 30.300 -0.044 0.000 1.026 435 R HN 0.775 nan 8.270 nan 0.000 0.514 436 H N -1.572 117.574 119.070 0.126 0.000 5.287 436 H HA 0.153 4.709 4.556 -0.000 0.000 0.095 436 H C 1.417 176.825 175.328 0.134 0.000 1.316 436 H CA 0.751 56.870 56.048 0.117 0.000 0.335 436 H CB -0.190 29.643 29.762 0.119 0.000 1.679 436 H HN 0.018 nan 8.280 nan 0.000 0.137 437 S N 1.341 117.248 115.700 0.344 0.000 2.607 437 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 437 S C 1.240 176.047 174.600 0.346 0.000 0.969 437 S CA 0.411 58.763 58.200 0.254 0.000 0.927 437 S CB -0.254 63.112 63.200 0.277 0.000 0.772 437 S HN 0.388 nan 8.310 nan 0.000 0.533 438 E N 2.603 123.048 120.200 0.407 0.000 2.065 438 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 438 E C 2.376 179.235 176.600 0.431 0.000 1.016 438 E CA 1.381 58.089 56.400 0.513 0.000 0.818 438 E CB -0.830 29.107 29.700 0.394 0.000 0.749 438 E HN 0.674 nan 8.360 nan 0.000 0.453 439 A N 2.761 125.762 122.820 0.301 0.000 1.873 439 A HA -0.351 3.969 4.320 -0.000 0.000 0.219 439 A C 2.309 180.068 177.584 0.292 0.000 1.269 439 A CA 3.022 55.252 52.037 0.322 0.000 0.671 439 A CB -1.110 18.026 19.000 0.227 0.000 0.842 439 A HN 0.432 nan 8.150 nan 0.000 0.460 440 R N -1.349 119.210 120.500 0.097 0.000 2.103 440 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 440 R C 1.965 178.247 176.300 -0.029 0.000 1.142 440 R CA 2.233 58.294 56.100 -0.065 0.000 0.960 440 R CB -0.841 29.276 30.300 -0.306 0.000 0.858 440 R HN 0.489 nan 8.270 nan 0.000 0.439 441 F N 1.474 121.606 119.950 0.302 0.000 2.163 441 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 441 F C 2.527 178.570 175.800 0.405 0.000 1.094 441 F CA 0.600 58.826 58.000 0.377 0.000 1.290 441 F CB -0.105 39.188 39.000 0.489 0.000 1.017 441 F HN -0.094 nan 8.300 nan 0.000 0.483 442 I N 0.474 121.377 120.570 0.555 0.000 2.208 442 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 442 I C 2.684 178.982 176.117 0.302 0.000 1.097 442 I CA 1.459 62.987 61.300 0.381 0.000 1.363 442 I CB -1.874 36.193 38.000 0.110 0.000 1.051 442 I HN 0.108 nan 8.210 nan 0.000 0.413 443 A N 1.604 124.645 122.820 0.369 0.000 1.851 443 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 443 A C 2.501 180.200 177.584 0.191 0.000 1.195 443 A CA 1.866 54.109 52.037 0.344 0.000 0.622 443 A CB -0.725 18.438 19.000 0.272 0.000 0.831 443 A HN 0.343 nan 8.150 nan 0.000 0.444 444 R N -0.593 120.013 120.500 0.176 0.000 2.091 444 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 444 R C 2.603 178.971 176.300 0.113 0.000 1.136 444 R CA 1.482 57.660 56.100 0.128 0.000 0.959 444 R CB -0.557 29.827 30.300 0.140 0.000 0.856 444 R HN 0.484 nan 8.270 nan 0.000 0.437 445 S N 0.813 116.617 115.700 0.174 0.000 2.359 445 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 445 S C 1.873 176.430 174.600 -0.072 0.000 1.035 445 S CA 1.258 59.524 58.200 0.111 0.000 1.018 445 S CB -0.137 63.233 63.200 0.282 0.000 0.876 445 S HN 0.167 nan 8.310 nan 0.000 0.448 446 L N 1.063 122.205 121.223 -0.136 0.000 2.056 446 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 446 L C 2.565 179.384 176.870 -0.085 0.000 1.078 446 L CA 1.340 56.054 54.840 -0.210 0.000 0.749 446 L CB -0.595 41.359 42.059 -0.176 0.000 0.901 446 L HN 0.355 nan 8.230 nan 0.000 0.433 447 S N 0.408 116.100 115.700 -0.014 0.000 2.528 447 S HA -0.124 4.345 4.470 -0.000 0.000 0.244 447 S C 1.663 176.256 174.600 -0.011 0.000 0.982 447 S CA 0.847 59.047 58.200 0.000 0.000 0.953 447 S CB -0.784 62.432 63.200 0.027 0.000 0.754 447 S HN 0.655 nan 8.310 nan 0.000 0.529 448 G N 0.769 109.554 108.800 -0.026 0.000 2.168 448 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 448 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 448 G C 0.249 175.143 174.900 -0.011 0.000 0.997 448 G CA 0.510 45.596 45.100 -0.024 0.000 0.708 448 G HN 0.636 nan 8.290 nan 0.000 0.520 449 R N -0.773 119.729 120.500 0.003 0.000 2.738 449 R HA 0.413 4.753 4.340 -0.000 0.000 0.280 449 R C 1.423 177.733 176.300 0.018 0.000 1.456 449 R CA -0.743 55.361 56.100 0.006 0.000 1.612 449 R CB 0.238 30.541 30.300 0.006 0.000 1.286 449 R HN 0.149 nan 8.270 nan 0.000 0.660 450 L N 0.886 122.115 121.223 0.010 0.000 2.013 450 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 450 L C 0.922 177.793 176.870 0.001 0.000 1.073 450 L CA 1.978 56.828 54.840 0.017 0.000 0.753 450 L CB -0.261 41.767 42.059 -0.053 0.000 0.890 450 L HN 0.635 nan 8.230 nan 0.000 0.432 451 R N -2.298 118.184 120.500 -0.030 0.000 3.872 451 R HA -0.230 4.110 4.340 -0.000 0.000 0.341 451 R C 1.498 177.769 176.300 -0.049 0.000 1.172 451 R CA 0.678 56.764 56.100 -0.024 0.000 0.901 451 R CB -1.964 28.340 30.300 0.005 0.000 1.422 451 R HN 0.456 nan 8.270 nan 0.000 0.523 452 L N -0.981 120.168 121.223 -0.123 0.000 2.012 452 L HA -0.163 4.176 4.340 -0.000 0.000 0.210 452 L C 1.663 178.469 176.870 -0.108 0.000 1.073 452 L CA 2.345 57.074 54.840 -0.186 0.000 0.748 452 L CB -0.200 41.657 42.059 -0.336 0.000 0.891 452 L HN 0.700 nan 8.230 nan 0.000 0.431 453 G N -1.219 107.529 108.800 -0.085 0.000 2.201 453 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.212 453 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.212 453 G C 0.008 174.872 174.900 -0.060 0.000 0.994 453 G CA 0.034 45.099 45.100 -0.058 0.000 0.644 453 G HN 0.247 nan 8.290 nan 0.000 0.508 454 L N 0.229 121.404 121.223 -0.081 0.000 2.385 454 L HA 0.850 5.190 4.340 -0.000 0.000 0.273 454 L C 0.481 177.310 176.870 -0.069 0.000 0.990 454 L CA -0.369 54.428 54.840 -0.070 0.000 0.821 454 L CB 1.794 43.807 42.059 -0.075 0.000 1.279 454 L HN 0.328 nan 8.230 nan 0.000 0.412 455 A N 1.913 124.706 122.820 -0.046 0.000 3.822 455 A HA 0.420 4.740 4.320 -0.000 0.000 0.181 455 A C 0.968 178.533 177.584 -0.032 0.000 0.902 455 A CA -0.122 51.901 52.037 -0.023 0.000 0.825 455 A CB 0.515 19.518 19.000 0.006 0.000 1.447 455 A HN 0.777 nan 8.150 nan 0.000 0.732 456 E N -0.828 119.366 120.200 -0.009 0.000 2.068 456 E HA -0.299 4.051 4.350 -0.000 0.000 0.207 456 E C 1.909 178.430 176.600 -0.132 0.000 1.032 456 E CA 2.400 58.758 56.400 -0.070 0.000 0.839 456 E CB -0.131 29.559 29.700 -0.016 0.000 0.758 456 E HN 0.494 nan 8.360 nan 0.000 0.457 457 Q N 0.178 119.930 119.800 -0.081 0.000 2.014 457 Q HA -0.163 4.177 4.340 -0.000 0.000 0.207 457 Q C 2.516 178.458 176.000 -0.096 0.000 0.993 457 Q CA 2.046 57.799 55.803 -0.084 0.000 0.850 457 Q CB -0.756 27.955 28.738 -0.045 0.000 0.916 457 Q HN 0.258 nan 8.270 nan 0.000 0.417 458 S N 0.326 115.980 115.700 -0.077 0.000 2.368 458 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 458 S C 2.208 176.753 174.600 -0.091 0.000 1.030 458 S CA 1.167 59.322 58.200 -0.077 0.000 0.999 458 S CB -0.335 62.827 63.200 -0.063 0.000 0.844 458 S HN 0.126 nan 8.310 nan 0.000 0.459 459 V N 1.862 121.715 119.914 -0.100 0.000 2.358 459 V HA -0.107 4.012 4.120 -0.000 0.000 0.246 459 V C 2.251 178.256 176.094 -0.148 0.000 1.047 459 V CA 1.163 63.397 62.300 -0.109 0.000 1.035 459 V CB -0.607 31.155 31.823 -0.103 0.000 0.658 459 V HN 0.294 nan 8.190 nan 0.000 0.452 460 L N 0.452 121.557 121.223 -0.197 0.000 1.943 460 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 460 L C 2.692 179.469 176.870 -0.156 0.000 1.074 460 L CA 2.444 57.146 54.840 -0.230 0.000 0.759 460 L CB -1.765 40.126 42.059 -0.280 0.000 0.888 460 L HN 0.319 nan 8.230 nan 0.000 0.433 461 A N -0.575 122.167 122.820 -0.130 0.000 1.916 461 A HA -0.391 3.928 4.320 -0.000 0.000 0.224 461 A C 2.405 179.925 177.584 -0.107 0.000 1.366 461 A CA 3.436 55.407 52.037 -0.110 0.000 0.692 461 A CB -1.397 17.547 19.000 -0.093 0.000 0.841 461 A HN 0.562 nan 8.150 nan 0.000 0.480 462 A N -1.572 121.190 122.820 -0.097 0.000 1.930 462 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 462 A C 2.133 179.669 177.584 -0.081 0.000 1.175 462 A CA 1.771 53.758 52.037 -0.083 0.000 0.627 462 A CB -0.528 18.430 19.000 -0.071 0.000 0.815 462 A HN 0.872 nan 8.150 nan 0.000 0.443 463 L N -0.195 120.972 121.223 -0.093 0.000 2.017 463 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 463 L C 2.580 179.402 176.870 -0.080 0.000 1.073 463 L CA 2.619 57.408 54.840 -0.085 0.000 0.745 463 L CB -0.991 41.003 42.059 -0.107 0.000 0.894 463 L HN 0.336 nan 8.230 nan 0.000 0.432 464 S N -1.142 114.498 115.700 -0.100 0.000 2.353 464 S HA -0.324 4.146 4.470 -0.000 0.000 0.222 464 S C 2.080 176.599 174.600 -0.134 0.000 1.035 464 S CA 1.811 59.944 58.200 -0.112 0.000 1.025 464 S CB -0.402 62.720 63.200 -0.130 0.000 0.902 464 S HN 0.673 nan 8.310 nan 0.000 0.440 465 Q N 0.343 120.058 119.800 -0.142 0.000 2.045 465 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 465 Q C 2.227 178.176 176.000 -0.084 0.000 0.991 465 Q CA 1.986 57.701 55.803 -0.148 0.000 0.851 465 Q CB -0.608 28.062 28.738 -0.112 0.000 0.911 465 Q HN 0.656 nan 8.270 nan 0.000 0.418 466 A N -0.163 122.628 122.820 -0.047 0.000 1.865 466 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 466 A C 2.238 179.829 177.584 0.013 0.000 1.191 466 A CA 1.711 53.747 52.037 -0.001 0.000 0.623 466 A CB -1.077 17.925 19.000 0.004 0.000 0.826 466 A HN 0.368 nan 8.150 nan 0.000 0.444 467 V N -0.328 119.581 119.914 -0.008 0.000 2.759 467 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 467 V C 2.557 178.665 176.094 0.022 0.000 1.080 467 V CA 2.244 64.549 62.300 0.009 0.000 1.101 467 V CB -0.178 31.642 31.823 -0.004 0.000 0.698 467 V HN 0.569 nan 8.190 nan 0.000 0.477 468 S N -0.717 114.974 115.700 -0.015 0.000 2.458 468 S HA 0.138 4.608 4.470 -0.000 0.000 0.223 468 S C 1.652 176.352 174.600 0.167 0.000 1.019 468 S CA 0.684 58.889 58.200 0.008 0.000 0.937 468 S CB 0.089 63.126 63.200 -0.271 0.000 0.788 468 S HN 0.485 nan 8.310 nan 0.000 0.511 469 L N 0.429 121.724 121.223 0.120 0.000 2.249 469 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 469 L C 0.148 177.104 176.870 0.144 0.000 1.090 469 L CA 0.824 55.778 54.840 0.190 0.000 0.802 469 L CB 0.144 42.284 42.059 0.134 0.000 0.947 469 L HN 0.094 nan 8.230 nan 0.000 0.453 470 T N 0.452 115.069 114.554 0.105 0.000 3.133 470 T HA 0.318 4.668 4.350 -0.000 0.000 0.368 470 T C -2.520 172.224 174.700 0.073 0.000 1.190 470 T CA -1.061 61.089 62.100 0.084 0.000 1.282 470 T CB 1.383 70.302 68.868 0.084 0.000 1.042 470 T HN -0.223 nan 8.240 nan 0.000 0.536 471 P HA 0.228 nan 4.420 nan 0.000 0.271 471 P C -2.339 174.992 177.300 0.051 0.000 1.218 471 P CA -1.200 61.937 63.100 0.062 0.000 0.780 471 P CB 0.021 31.760 31.700 0.065 0.000 0.901 472 P HA 0.107 nan 4.420 nan 0.000 0.274 472 P C 0.644 177.960 177.300 0.027 0.000 1.256 472 P CA 0.279 63.401 63.100 0.037 0.000 0.795 472 P CB 0.404 32.119 31.700 0.025 0.000 1.038 473 G N -0.605 108.209 108.800 0.024 0.000 2.176 473 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.232 473 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.232 473 G C -0.048 174.865 174.900 0.020 0.000 0.986 473 G CA -0.275 44.831 45.100 0.011 0.000 0.643 473 G HN 0.644 nan 8.290 nan 0.000 0.522 474 Q N 0.975 120.796 119.800 0.034 0.000 2.267 474 Q HA 0.458 4.798 4.340 -0.000 0.000 0.255 474 Q C 0.010 176.042 176.000 0.053 0.000 0.923 474 Q CA -0.559 55.262 55.803 0.031 0.000 0.925 474 Q CB 1.341 30.091 28.738 0.021 0.000 1.195 474 Q HN 0.390 nan 8.270 nan 0.000 0.417 475 E N 1.527 121.753 120.200 0.043 0.000 2.436 475 E HA -0.005 4.345 4.350 -0.000 0.000 0.262 475 E C -0.940 175.715 176.600 0.091 0.000 1.063 475 E CA 0.331 56.774 56.400 0.072 0.000 0.944 475 E CB 0.509 30.238 29.700 0.048 0.000 0.950 475 E HN 0.410 nan 8.360 nan 0.000 0.444 476 F N 3.359 123.302 119.950 -0.011 0.000 2.399 476 F HA 0.322 4.849 4.527 -0.000 0.000 0.334 476 F C -1.666 174.121 175.800 -0.022 0.000 1.097 476 F CA -1.727 56.263 58.000 -0.017 0.000 1.076 476 F CB 0.757 39.747 39.000 -0.016 0.000 1.162 476 F HN 0.244 nan 8.300 nan 0.000 0.495 477 P HA 0.376 nan 4.420 nan 0.000 0.279 477 P C -2.922 174.054 177.300 -0.539 0.000 1.252 477 P CA -1.725 60.493 63.100 -1.470 0.000 0.811 477 P CB 0.324 31.200 31.700 -1.374 0.000 1.035 478 P HA 0.216 nan 4.420 nan 0.000 0.271 478 P C -0.275 176.942 177.300 -0.138 0.000 1.220 478 P CA 0.052 63.059 63.100 -0.155 0.000 0.768 478 P CB 0.296 31.947 31.700 -0.080 0.000 0.848 482 D N 0.371 120.806 120.400 0.059 0.000 2.472 482 D HA 0.526 5.166 4.640 -0.000 0.000 0.248 482 D C 0.813 177.158 176.300 0.075 0.000 1.271 482 D CA 0.547 54.599 54.000 0.086 0.000 0.888 482 D CB 1.357 42.202 40.800 0.075 0.000 1.337 482 D HN 0.218 nan 8.370 nan 0.000 0.526 483 A N 1.664 124.554 122.820 0.117 0.000 2.186 483 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 483 A C 1.900 179.439 177.584 -0.075 0.000 1.159 483 A CA 1.536 53.610 52.037 0.061 0.000 0.680 483 A CB -0.240 18.878 19.000 0.195 0.000 0.787 483 A HN 0.507 nan 8.150 nan 0.000 0.467 484 G N -1.224 107.628 108.800 0.087 0.000 2.777 484 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 484 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 484 G C 0.771 175.661 174.900 -0.016 0.000 1.149 484 G CA -0.237 44.896 45.100 0.055 0.000 0.785 484 G HN 0.361 nan 8.290 nan 0.000 0.536 485 K N 1.048 121.443 120.400 -0.008 0.000 2.477 485 K HA 0.120 4.439 4.320 -0.000 0.000 0.275 485 K C 1.368 177.941 176.600 -0.045 0.000 1.054 485 K CA 1.208 57.487 56.287 -0.014 0.000 1.135 485 K CB -0.009 32.484 32.500 -0.011 0.000 0.854 485 K HN 0.333 nan 8.250 nan 0.000 0.484 486 G N 3.671 112.454 108.800 -0.029 0.000 2.345 486 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.218 486 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.218 486 G C 0.042 174.917 174.900 -0.041 0.000 1.058 486 G CA -0.004 45.073 45.100 -0.039 0.000 0.632 486 G HN 0.569 nan 8.290 nan 0.000 0.508 487 K N 2.698 123.065 120.400 -0.055 0.000 2.489 487 K HA 0.408 4.728 4.320 -0.000 0.000 0.278 487 K C 1.515 178.115 176.600 0.000 0.000 1.000 487 K CA 0.739 57.004 56.287 -0.037 0.000 1.012 487 K CB 0.462 32.947 32.500 -0.026 0.000 0.903 487 K HN 0.573 nan 8.250 nan 0.000 0.485 488 T N 0.265 114.822 114.554 0.005 0.000 2.667 488 T HA 0.124 4.474 4.350 -0.000 0.000 0.305 488 T C 1.364 176.084 174.700 0.034 0.000 1.022 488 T CA -0.101 62.009 62.100 0.016 0.000 0.995 488 T CB 0.964 69.839 68.868 0.012 0.000 1.026 488 T HN 0.537 nan 8.240 nan 0.000 0.527 489 A N 0.176 123.015 122.820 0.031 0.000 1.855 489 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 489 A C 2.333 179.945 177.584 0.046 0.000 1.191 489 A CA 1.653 53.712 52.037 0.038 0.000 0.613 489 A CB -1.265 17.750 19.000 0.026 0.000 0.829 489 A HN 0.911 nan 8.150 nan 0.000 0.442 490 E N 0.440 120.661 120.200 0.036 0.000 2.085 490 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 490 E C 2.099 178.733 176.600 0.057 0.000 0.994 490 E CA 1.648 58.070 56.400 0.038 0.000 0.801 490 E CB -0.607 29.109 29.700 0.027 0.000 0.743 490 E HN 0.461 nan 8.360 nan 0.000 0.453 491 A N 1.070 123.925 122.820 0.058 0.000 1.865 491 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 491 A C 2.343 180.015 177.584 0.147 0.000 1.191 491 A CA 2.133 54.216 52.037 0.077 0.000 0.623 491 A CB -0.717 18.308 19.000 0.042 0.000 0.826 491 A HN 0.302 nan 8.150 nan 0.000 0.444 492 R N -0.402 120.190 120.500 0.153 0.000 2.096 492 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 492 R C 2.214 178.646 176.300 0.220 0.000 1.127 492 R CA 1.694 57.954 56.100 0.267 0.000 0.968 492 R CB -0.283 30.140 30.300 0.205 0.000 0.861 492 R HN 0.466 nan 8.270 nan 0.000 0.440 493 K N -0.119 120.351 120.400 0.117 0.000 2.001 493 K HA -0.141 4.178 4.320 -0.000 0.000 0.214 493 K C 1.935 178.567 176.600 0.053 0.000 1.050 493 K CA 2.307 58.630 56.287 0.060 0.000 0.934 493 K CB -0.343 32.178 32.500 0.036 0.000 0.718 493 K HN 0.225 nan 8.250 nan 0.000 0.443 494 T N 0.365 114.968 114.554 0.083 0.000 2.607 494 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 494 T C 1.250 176.015 174.700 0.109 0.000 1.049 494 T CA 1.837 63.985 62.100 0.080 0.000 1.162 494 T CB -0.560 68.364 68.868 0.093 0.000 0.863 494 T HN 0.507 nan 8.240 nan 0.000 0.424 495 W N 1.952 123.252 121.300 -0.000 0.000 2.290 495 W HA -0.199 4.461 4.660 -0.000 0.000 0.323 495 W C 1.845 178.364 176.519 0.001 0.000 1.260 495 W CA 1.164 58.509 57.345 0.001 0.000 1.266 495 W CB -0.952 28.509 29.460 0.002 0.000 1.149 495 W HN 0.207 nan 8.180 nan 0.000 0.482 496 L N 0.574 121.623 121.223 -0.290 0.000 2.012 496 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 496 L C 2.651 179.332 176.870 -0.315 0.000 1.073 496 L CA 2.298 56.837 54.840 -0.502 0.000 0.748 496 L CB -1.147 40.742 42.059 -0.285 0.000 0.891 496 L HN 0.159 nan 8.230 nan 0.000 0.431 497 E N 0.011 120.116 120.200 -0.158 0.000 2.160 497 E HA -0.270 4.079 4.350 -0.000 0.000 0.195 497 E C 1.847 178.385 176.600 -0.102 0.000 0.991 497 E CA 1.297 57.632 56.400 -0.108 0.000 0.810 497 E CB -0.250 29.417 29.700 -0.055 0.000 0.742 497 E HN 0.613 nan 8.360 nan 0.000 0.466 498 E N 0.971 121.114 120.200 -0.095 0.000 2.051 498 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 498 E C 2.309 178.851 176.600 -0.096 0.000 0.991 498 E CA 0.967 57.334 56.400 -0.056 0.000 0.799 498 E CB 0.045 29.755 29.700 0.016 0.000 0.748 498 E HN 0.197 nan 8.360 nan 0.000 0.449 499 Q N 0.284 119.961 119.800 -0.205 0.000 2.135 499 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 499 Q C 1.317 177.225 176.000 -0.153 0.000 0.981 499 Q CA 1.086 56.766 55.803 -0.204 0.000 0.856 499 Q CB -0.738 27.760 28.738 -0.400 0.000 0.902 499 Q HN 0.198 nan 8.270 nan 0.000 0.425 503 L N 2.595 123.815 121.223 -0.006 0.000 2.012 503 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 503 L C 2.286 179.177 176.870 0.036 0.000 1.073 503 L CA 2.313 57.159 54.840 0.009 0.000 0.748 503 L CB -0.662 41.380 42.059 -0.029 0.000 0.891 503 L HN 0.148 nan 8.230 nan 0.000 0.431 504 K N -1.065 119.339 120.400 0.007 0.000 2.057 504 K HA -0.231 4.088 4.320 -0.000 0.000 0.207 504 K C 2.174 178.816 176.600 0.071 0.000 1.049 504 K CA 1.566 57.867 56.287 0.024 0.000 0.931 504 K CB -0.200 32.289 32.500 -0.019 0.000 0.714 504 K HN 0.326 nan 8.250 nan 0.000 0.440 505 Q N 0.618 120.443 119.800 0.042 0.000 2.224 505 Q HA -0.086 4.253 4.340 -0.000 0.000 0.203 505 Q C 1.553 177.587 176.000 0.057 0.000 0.970 505 Q CA 1.813 57.641 55.803 0.042 0.000 0.865 505 Q CB -0.111 28.641 28.738 0.023 0.000 0.922 505 Q HN 0.222 nan 8.270 nan 0.000 0.445 506 T N -0.093 114.504 114.554 0.071 0.000 2.770 506 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 506 T C 1.260 176.007 174.700 0.078 0.000 1.039 506 T CA 1.044 63.182 62.100 0.064 0.000 1.142 506 T CB -0.563 68.345 68.868 0.066 0.000 0.868 506 T HN 0.377 nan 8.240 nan 0.000 0.435 507 F N 1.387 121.325 119.950 -0.021 0.000 2.202 507 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 507 F C 2.332 178.117 175.800 -0.025 0.000 1.082 507 F CA 0.369 58.354 58.000 -0.025 0.000 1.313 507 F CB -0.642 38.339 39.000 -0.031 0.000 1.024 507 F HN 0.166 nan 8.300 nan 0.000 0.495 508 C N 0.834 120.173 119.300 0.065 0.000 2.453 508 C HA -0.155 4.304 4.460 -0.000 0.000 0.277 508 C C 2.682 177.615 174.990 -0.094 0.000 1.262 508 C CA 1.524 60.534 59.018 -0.013 0.000 1.718 508 C CB -1.053 26.710 27.740 0.038 0.000 2.031 508 C HN 0.533 nan 8.230 nan 0.000 0.480 509 E N -0.199 119.965 120.200 -0.061 0.000 2.158 509 E HA -0.043 4.306 4.350 -0.000 0.000 0.191 509 E C 0.421 176.941 176.600 -0.135 0.000 0.982 509 E CA 0.985 57.346 56.400 -0.065 0.000 0.823 509 E CB 0.008 29.696 29.700 -0.019 0.000 0.766 509 E HN 0.412 nan 8.360 nan 0.000 0.468 510 V N 3.617 123.428 119.914 -0.171 0.000 2.271 510 V HA 0.147 4.266 4.120 -0.000 0.000 0.259 510 V C -2.408 173.432 176.094 -0.423 0.000 1.030 510 V CA -1.243 60.925 62.300 -0.220 0.000 0.957 510 V CB 0.950 32.701 31.823 -0.119 0.000 1.186 510 V HN 0.027 nan 8.190 nan 0.000 0.471 511 P HA 0.217 nan 4.420 nan 0.000 0.241 511 P C -0.530 176.279 177.300 -0.819 0.000 1.760 511 P CA 0.581 62.818 63.100 -1.439 0.000 1.081 511 P CB 0.243 31.371 31.700 -0.953 0.000 1.975 512 D N 2.496 122.647 120.400 -0.415 0.000 2.312 512 D HA 0.047 4.687 4.640 -0.000 0.000 0.229 512 D C 0.784 177.145 176.300 0.101 0.000 1.337 512 D CA -0.412 53.560 54.000 -0.046 0.000 0.964 512 D CB 0.884 41.639 40.800 -0.075 0.000 1.456 512 D HN -0.227 nan 8.370 nan 0.000 0.547 513 L N 2.652 123.992 121.223 0.195 0.000 2.046 513 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 513 L C 1.729 178.647 176.870 0.079 0.000 1.077 513 L CA 1.519 56.413 54.840 0.089 0.000 0.747 513 L CB -0.762 41.191 42.059 -0.176 0.000 0.896 513 L HN 0.424 nan 8.230 nan 0.000 0.432 514 D N -0.624 119.875 120.400 0.165 0.000 2.191 514 D HA -0.234 4.405 4.640 -0.000 0.000 0.190 514 D C 2.376 178.730 176.300 0.090 0.000 1.007 514 D CA 1.387 55.478 54.000 0.152 0.000 0.865 514 D CB -0.045 40.856 40.800 0.168 0.000 0.929 514 D HN 0.307 nan 8.370 nan 0.000 0.447 515 R N -0.522 120.020 120.500 0.071 0.000 2.052 515 R HA -0.011 4.328 4.340 -0.000 0.000 0.226 515 R C 2.337 178.670 176.300 0.055 0.000 1.145 515 R CA 0.523 56.652 56.100 0.049 0.000 0.952 515 R CB -0.461 29.851 30.300 0.019 0.000 0.847 515 R HN 0.158 nan 8.270 nan 0.000 0.431 516 I N 1.315 121.923 120.570 0.063 0.000 2.099 516 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 516 I C 2.293 178.444 176.117 0.058 0.000 1.066 516 I CA 1.303 62.647 61.300 0.072 0.000 1.324 516 I CB -0.497 37.572 38.000 0.115 0.000 1.037 516 I HN 0.089 nan 8.210 nan 0.000 0.401 517 I N 1.241 121.835 120.570 0.039 0.000 2.163 517 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 517 I C -0.213 175.921 176.117 0.027 0.000 1.085 517 I CA 1.906 63.215 61.300 0.016 0.000 1.347 517 I CB -2.947 35.041 38.000 -0.019 0.000 1.044 517 I HN 0.214 nan 8.210 nan 0.000 0.408 518 P HA -0.075 nan 4.420 nan 0.000 0.218 518 P C 2.056 179.388 177.300 0.053 0.000 1.149 518 P CA 1.300 64.423 63.100 0.037 0.000 0.817 518 P CB 0.020 31.746 31.700 0.044 0.000 0.785 519 V N 0.146 120.110 119.914 0.084 0.000 2.323 519 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 519 V C 2.702 178.883 176.094 0.145 0.000 1.041 519 V CA 1.267 63.659 62.300 0.153 0.000 1.025 519 V CB -1.425 30.474 31.823 0.127 0.000 0.656 519 V HN 0.008 nan 8.190 nan 0.000 0.451 520 L N 0.082 121.357 121.223 0.086 0.000 1.956 520 L HA -0.179 4.160 4.340 -0.000 0.000 0.216 520 L C 2.317 179.213 176.870 0.044 0.000 1.073 520 L CA 1.968 56.846 54.840 0.064 0.000 0.762 520 L CB -0.816 41.266 42.059 0.039 0.000 0.889 520 L HN 0.168 nan 8.230 nan 0.000 0.433 521 L N -0.565 120.673 121.223 0.024 0.000 2.064 521 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 521 L C 2.605 179.458 176.870 -0.027 0.000 1.077 521 L CA 2.177 57.020 54.840 0.005 0.000 0.766 521 L CB -0.607 41.454 42.059 0.003 0.000 0.890 521 L HN 0.564 nan 8.230 nan 0.000 0.435 522 E N -1.320 118.849 120.200 -0.051 0.000 2.112 522 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 522 E C 1.801 178.182 176.600 -0.365 0.000 0.979 522 E CA 0.821 57.099 56.400 -0.204 0.000 0.814 522 E CB 0.217 29.760 29.700 -0.261 0.000 0.762 522 E HN 0.553 nan 8.360 nan 0.000 0.460 523 H N -1.065 117.952 119.070 -0.089 0.000 3.046 523 H HA 0.272 4.828 4.556 -0.000 0.000 0.262 523 H C 0.670 175.974 175.328 -0.039 0.000 1.044 523 H CA 0.409 56.388 56.048 -0.115 0.000 1.209 523 H CB 1.350 30.959 29.762 -0.254 0.000 1.507 523 H HN 0.259 nan 8.280 nan 0.000 0.507 524 G N 1.472 110.323 108.800 0.085 0.000 2.787 524 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.685 524 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.685 524 G C 0.501 175.451 174.900 0.082 0.000 1.437 524 G CA 0.006 45.149 45.100 0.071 0.000 0.872 524 G HN 0.201 nan 8.290 nan 0.000 0.566 525 L N 0.549 121.809 121.223 0.063 0.000 2.017 525 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 525 L C 2.635 179.543 176.870 0.064 0.000 1.073 525 L CA 3.153 58.024 54.840 0.051 0.000 0.745 525 L CB -0.824 41.250 42.059 0.024 0.000 0.894 525 L HN 0.822 nan 8.230 nan 0.000 0.432 526 E N -0.050 120.195 120.200 0.075 0.000 2.086 526 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 526 E C 2.185 178.836 176.600 0.085 0.000 1.012 526 E CA 1.607 58.055 56.400 0.080 0.000 0.812 526 E CB -0.117 29.636 29.700 0.088 0.000 0.743 526 E HN 0.397 nan 8.360 nan 0.000 0.453 527 R N -0.419 120.147 120.500 0.110 0.000 2.359 527 R HA 0.108 4.448 4.340 -0.000 0.000 0.231 527 R C 1.769 178.170 176.300 0.168 0.000 0.913 527 R CA -0.179 56.008 56.100 0.145 0.000 1.075 527 R CB 0.020 30.438 30.300 0.196 0.000 1.087 527 R HN 0.134 nan 8.270 nan 0.000 0.515 528 L N 2.136 123.428 121.223 0.116 0.000 1.990 528 L HA -0.124 4.216 4.340 -0.000 0.000 0.213 528 L C -1.087 175.831 176.870 0.081 0.000 1.072 528 L CA 2.185 57.084 54.840 0.098 0.000 0.755 528 L CB -0.777 41.326 42.059 0.073 0.000 0.889 528 L HN 0.012 nan 8.230 nan 0.000 0.432 529 P HA -0.193 nan 4.420 nan 0.000 0.215 529 P C 1.224 178.513 177.300 -0.019 0.000 1.153 529 P CA 1.838 64.951 63.100 0.023 0.000 0.853 529 P CB -0.206 31.506 31.700 0.020 0.000 0.788 530 E N -1.457 118.715 120.200 -0.046 0.000 2.209 530 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 530 E C 0.740 177.084 176.600 -0.426 0.000 0.993 530 E CA 1.183 57.447 56.400 -0.227 0.000 0.819 530 E CB -0.719 28.803 29.700 -0.295 0.000 0.745 530 E HN 0.573 nan 8.360 nan 0.000 0.477 531 H N -1.489 117.496 119.070 -0.141 0.000 2.581 531 H HA 0.325 4.880 4.556 -0.000 0.000 0.275 531 H C -0.802 174.472 175.328 -0.091 0.000 1.126 531 H CA -0.337 55.605 56.048 -0.176 0.000 1.097 531 H CB 0.695 30.204 29.762 -0.422 0.000 1.626 531 H HN -0.028 nan 8.280 nan 0.000 0.565 532 C N 2.619 121.928 119.300 0.013 0.000 2.679 532 C HA 0.405 4.865 4.460 -0.000 0.000 0.354 532 C C -1.225 173.761 174.990 -0.007 0.000 1.067 532 C CA -0.793 58.233 59.018 0.013 0.000 1.317 532 C CB -0.311 27.447 27.740 0.030 0.000 1.843 532 C HN 0.329 nan 8.230 nan 0.000 0.459 533 K N 3.341 123.731 120.400 -0.017 0.000 2.395 533 K HA 0.536 4.855 4.320 -0.000 0.000 0.245 533 K C -0.821 175.758 176.600 -0.036 0.000 1.017 533 K CA -0.947 55.331 56.287 -0.016 0.000 0.852 533 K CB 1.542 34.038 32.500 -0.005 0.000 1.311 533 K HN 0.376 nan 8.250 nan 0.000 0.452 534 L N 1.446 122.653 121.223 -0.028 0.000 2.540 534 L HA 0.089 4.429 4.340 -0.000 0.000 0.276 534 L C -0.093 176.686 176.870 -0.152 0.000 1.212 534 L CA 1.041 55.832 54.840 -0.082 0.000 0.893 534 L CB 0.207 42.250 42.059 -0.027 0.000 1.138 534 L HN 0.713 nan 8.230 nan 0.000 0.491 535 S N 5.987 121.552 115.700 -0.225 0.000 2.603 535 S HA 0.580 5.049 4.470 -0.000 0.000 0.274 535 S C -2.846 171.599 174.600 -0.259 0.000 1.168 535 S CA -1.080 56.948 58.200 -0.286 0.000 0.963 535 S CB 1.613 64.730 63.200 -0.138 0.000 1.078 535 S HN 0.475 nan 8.310 nan 0.000 0.477 536 P HA 0.272 nan 4.420 nan 0.000 0.263 536 P C 0.880 178.196 177.300 0.028 0.000 1.195 536 P CA 1.114 64.201 63.100 -0.022 0.000 0.762 536 P CB 0.490 32.091 31.700 -0.166 0.000 0.799 537 G N 2.969 111.770 108.800 0.002 0.000 2.352 537 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.204 537 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.204 537 G C -0.152 174.612 174.900 -0.226 0.000 1.004 537 G CA -0.393 44.652 45.100 -0.092 0.000 0.648 537 G HN 0.475 nan 8.290 nan 0.000 0.491 538 I N 3.942 124.324 120.570 -0.313 0.000 2.354 538 I HA 0.439 4.608 4.170 -0.000 0.000 0.292 538 I C -1.983 173.749 176.117 -0.642 0.000 0.989 538 I CA -2.533 58.518 61.300 -0.416 0.000 1.188 538 I CB 2.017 39.872 38.000 -0.241 0.000 1.342 538 I HN -0.087 nan 8.210 nan 0.000 0.457 539 P HA 0.197 nan 4.420 nan 0.000 0.271 539 P C -1.136 175.948 177.300 -0.359 0.000 1.216 539 P CA -0.287 62.273 63.100 -0.900 0.000 0.776 539 P CB 0.745 31.794 31.700 -1.085 0.000 0.881 540 L N 0.012 121.137 121.223 -0.162 0.000 2.333 540 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 540 L C 0.032 176.880 176.870 -0.036 0.000 1.010 540 L CA -1.104 53.673 54.840 -0.105 0.000 0.818 540 L CB 0.944 42.972 42.059 -0.053 0.000 1.306 540 L HN 0.067 nan 8.230 nan 0.000 0.430 541 K N 2.424 122.798 120.400 -0.045 0.000 2.484 541 K HA 0.198 4.517 4.320 -0.000 0.000 0.280 541 K C -2.168 174.471 176.600 0.066 0.000 1.013 541 K CA -1.037 55.247 56.287 -0.006 0.000 1.029 541 K CB 0.326 32.810 32.500 -0.027 0.000 0.902 541 K HN 0.580 nan 8.250 nan 0.000 0.481 545 A N -0.478 122.461 122.820 0.198 0.000 2.422 545 A HA 0.697 5.017 4.320 -0.000 0.000 0.302 545 A C -1.749 175.991 177.584 0.260 0.000 1.041 545 A CA -0.310 51.884 52.037 0.261 0.000 0.708 545 A CB 1.334 20.474 19.000 0.233 0.000 1.257 545 A HN 0.704 nan 8.150 nan 0.000 0.414 546 H N 2.255 121.396 119.070 0.118 0.000 2.487 546 H HA 0.608 5.163 4.556 -0.000 0.000 0.333 546 H C -2.707 172.608 175.328 -0.021 0.000 1.114 546 H CA -1.551 54.503 56.048 0.010 0.000 1.310 546 H CB 1.365 31.131 29.762 0.007 0.000 1.462 546 H HN 0.352 nan 8.280 nan 0.000 0.516 547 P HA 0.175 nan 4.420 nan 0.000 0.285 547 P C -0.889 176.109 177.300 -0.503 0.000 1.259 547 P CA -0.524 62.307 63.100 -0.448 0.000 0.794 547 P CB 1.401 32.863 31.700 -0.397 0.000 0.940 548 T N 1.955 116.364 114.554 -0.241 0.000 2.885 548 T HA 0.328 4.678 4.350 -0.000 0.000 0.285 548 T C 0.912 175.544 174.700 -0.114 0.000 1.019 548 T CA -0.559 61.447 62.100 -0.155 0.000 1.010 548 T CB 0.676 69.468 68.868 -0.127 0.000 1.022 548 T HN 0.119 nan 8.240 nan 0.000 0.466 549 R N 1.685 122.133 120.500 -0.086 0.000 2.319 549 R HA 0.467 4.807 4.340 -0.000 0.000 0.204 549 R C 1.002 177.305 176.300 0.006 0.000 0.954 549 R CA 0.510 56.576 56.100 -0.056 0.000 1.066 549 R CB 0.072 30.327 30.300 -0.075 0.000 0.991 549 R HN 0.881 nan 8.270 nan 0.000 0.486 550 G N -1.324 107.466 108.800 -0.016 0.000 2.361 550 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.331 550 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.331 550 G C 0.371 175.254 174.900 -0.029 0.000 1.324 550 G CA -0.753 44.347 45.100 -0.001 0.000 0.984 550 G HN 0.003 nan 8.290 nan 0.000 0.586 551 I N 0.279 120.843 120.570 -0.011 0.000 2.264 551 I HA -0.195 3.974 4.170 -0.000 0.000 0.248 551 I C 2.947 179.052 176.117 -0.020 0.000 1.111 551 I CA 1.935 63.228 61.300 -0.013 0.000 1.382 551 I CB -0.492 37.525 38.000 0.027 0.000 1.060 551 I HN 0.541 nan 8.210 nan 0.000 0.418 552 S N 0.564 116.261 115.700 -0.006 0.000 2.380 552 S HA -0.323 4.147 4.470 -0.000 0.000 0.229 552 S C 2.079 176.664 174.600 -0.025 0.000 1.050 552 S CA 2.388 60.587 58.200 -0.003 0.000 1.100 552 S CB -0.330 62.873 63.200 0.005 0.000 0.984 552 S HN 0.599 nan 8.310 nan 0.000 0.434 553 E N 0.055 120.228 120.200 -0.044 0.000 2.107 553 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 553 E C 2.025 178.543 176.600 -0.136 0.000 0.982 553 E CA 1.259 57.620 56.400 -0.064 0.000 0.809 553 E CB -0.166 29.503 29.700 -0.052 0.000 0.756 553 E HN 0.427 nan 8.360 nan 0.000 0.459 554 V N 1.719 121.514 119.914 -0.198 0.000 2.282 554 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 554 V C 2.571 178.444 176.094 -0.368 0.000 1.057 554 V CA 1.748 63.807 62.300 -0.401 0.000 1.032 554 V CB -0.515 31.080 31.823 -0.380 0.000 0.645 554 V HN 0.336 nan 8.190 nan 0.000 0.447 555 L N -0.391 120.752 121.223 -0.133 0.000 2.217 555 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 555 L C 2.531 179.434 176.870 0.056 0.000 1.107 555 L CA 1.291 56.148 54.840 0.029 0.000 0.783 555 L CB -0.428 41.688 42.059 0.096 0.000 0.919 555 L HN 0.300 nan 8.230 nan 0.000 0.442 556 K N 0.724 121.126 120.400 0.002 0.000 2.007 556 K HA -0.142 4.177 4.320 -0.000 0.000 0.206 556 K C 2.139 178.769 176.600 0.051 0.000 1.047 556 K CA 1.499 57.803 56.287 0.028 0.000 0.937 556 K CB -0.186 32.316 32.500 0.005 0.000 0.718 556 K HN -0.022 nan 8.250 nan 0.000 0.438 557 R N -0.819 119.675 120.500 -0.010 0.000 2.096 557 R HA -0.042 4.298 4.340 -0.000 0.000 0.240 557 R C 1.279 177.784 176.300 0.342 0.000 1.139 557 R CA 1.795 57.932 56.100 0.063 0.000 0.952 557 R CB -0.274 29.956 30.300 -0.117 0.000 0.854 557 R HN 0.262 nan 8.270 nan 0.000 0.436 558 F N 0.758 120.711 119.950 0.005 0.000 2.798 558 F HA 0.081 4.608 4.527 -0.000 0.000 0.291 558 F C 1.289 177.171 175.800 0.136 0.000 1.174 558 F CA -0.586 57.460 58.000 0.076 0.000 1.392 558 F CB 0.203 39.242 39.000 0.064 0.000 0.966 558 F HN 0.247 nan 8.300 nan 0.000 0.509 559 E N 0.339 120.697 120.200 0.265 0.000 2.482 559 E HA -0.165 4.184 4.350 -0.000 0.000 0.196 559 E C 0.766 177.451 176.600 0.141 0.000 1.047 559 E CA 0.797 57.305 56.400 0.181 0.000 0.869 559 E CB 0.115 29.886 29.700 0.117 0.000 0.836 559 E HN 0.234 nan 8.360 nan 0.000 0.520 560 E N 0.552 120.835 120.200 0.138 0.000 3.191 560 E HA 0.390 4.739 4.350 -0.000 0.000 0.192 560 E C -1.462 175.179 176.600 0.069 0.000 0.972 560 E CA -0.119 56.334 56.400 0.087 0.000 1.266 560 E CB 1.386 31.123 29.700 0.061 0.000 1.076 560 E HN 0.322 nan 8.360 nan 0.000 0.462 561 A N 0.413 123.292 122.820 0.099 0.000 2.497 561 A HA 0.752 5.071 4.320 -0.000 0.000 0.280 561 A C -0.220 177.412 177.584 0.080 0.000 1.065 561 A CA -0.236 51.818 52.037 0.029 0.000 0.781 561 A CB 0.739 19.686 19.000 -0.088 0.000 1.289 561 A HN 0.250 nan 8.150 nan 0.000 0.415 562 A N 2.182 125.015 122.820 0.022 0.000 2.584 562 A HA 0.485 4.805 4.320 -0.000 0.000 0.239 562 A C -0.000 177.597 177.584 0.022 0.000 1.043 562 A CA 0.979 52.999 52.037 -0.028 0.000 0.756 562 A CB -0.685 18.275 19.000 -0.066 0.000 0.963 562 A HN 1.856 nan 8.150 nan 0.000 0.511 563 F N 0.521 120.472 119.950 0.002 0.000 2.650 563 F HA 0.864 5.390 4.527 -0.001 0.000 0.320 563 F C -0.242 175.583 175.800 0.043 0.000 1.091 563 F CA -0.556 57.459 58.000 0.026 0.000 0.962 563 F CB 1.215 40.348 39.000 0.221 0.000 1.363 563 F HN 0.535 nan 8.300 nan 0.000 0.482 564 T N 0.022 114.806 114.554 0.384 0.000 2.926 564 T HA 0.695 5.044 4.350 -0.000 0.000 0.289 564 T C -1.573 173.351 174.700 0.373 0.000 1.054 564 T CA -0.431 61.793 62.100 0.206 0.000 1.015 564 T CB 1.187 70.094 68.868 0.065 0.000 1.167 564 T HN 0.888 nan 8.240 nan 0.000 0.526 565 C N 2.163 121.587 119.300 0.208 0.000 2.563 565 C HA 0.806 5.266 4.460 -0.000 0.000 0.314 565 C C -0.348 174.872 174.990 0.383 0.000 1.199 565 C CA -0.527 58.671 59.018 0.301 0.000 1.564 565 C CB 1.145 29.079 27.740 0.324 0.000 2.173 565 C HN 1.006 nan 8.230 nan 0.000 0.485 566 E N 0.379 120.831 120.200 0.419 0.000 2.429 566 E HA 0.393 4.743 4.350 -0.000 0.000 0.276 566 E C -1.604 175.146 176.600 0.250 0.000 0.953 566 E CA -0.702 55.893 56.400 0.324 0.000 0.787 566 E CB 1.509 31.280 29.700 0.118 0.000 1.307 566 E HN 0.526 nan 8.360 nan 0.000 0.458 567 Y N 1.560 121.814 120.300 -0.077 0.000 2.402 567 Y HA 0.098 4.648 4.550 -0.000 0.000 0.333 567 Y C 0.503 176.173 175.900 -0.383 0.000 1.076 567 Y CA -0.340 57.505 58.100 -0.425 0.000 1.299 567 Y CB 0.505 38.536 38.460 -0.715 0.000 1.197 567 Y HN 0.292 nan 8.280 nan 0.000 0.517 568 K N 5.784 126.036 120.400 -0.247 0.000 2.127 568 K HA 0.136 4.455 4.320 -0.000 0.000 0.261 568 K C -1.186 175.268 176.600 -0.243 0.000 1.129 568 K CA -0.178 55.998 56.287 -0.185 0.000 0.993 568 K CB -0.433 31.981 32.500 -0.145 0.000 1.410 568 K HN 0.453 nan 8.250 nan 0.000 0.380 569 Y N 1.472 121.680 120.300 -0.154 0.000 2.620 569 Y HA -0.084 4.466 4.550 -0.001 0.000 0.330 569 Y C 0.881 176.711 175.900 -0.116 0.000 1.186 569 Y CA 0.022 58.013 58.100 -0.183 0.000 1.467 569 Y CB 0.439 38.726 38.460 -0.289 0.000 1.262 569 Y HN 0.478 nan 8.280 nan 0.000 0.550 570 D N 3.079 123.497 120.400 0.030 0.000 2.631 570 D HA 0.231 4.870 4.640 -0.000 0.000 0.227 570 D C 0.295 176.660 176.300 0.109 0.000 1.146 570 D CA 0.153 54.164 54.000 0.019 0.000 1.009 570 D CB -0.384 40.429 40.800 0.022 0.000 1.057 570 D HN 0.778 nan 8.370 nan 0.000 0.509 571 G N 1.206 110.077 108.800 0.118 0.000 3.211 571 G HA2 0.479 4.438 3.960 -0.000 0.000 0.167 571 G HA3 0.479 4.438 3.960 -0.000 0.000 0.167 571 G C -0.693 174.312 174.900 0.175 0.000 1.212 571 G CA -0.538 44.692 45.100 0.218 0.000 0.928 571 G HN 0.390 nan 8.290 nan 0.000 0.607 572 Q N -0.856 119.090 119.800 0.243 0.000 2.377 572 Q HA 0.660 4.999 4.340 -0.000 0.000 0.271 572 Q C -0.394 175.739 176.000 0.223 0.000 1.077 572 Q CA -0.877 55.062 55.803 0.227 0.000 0.820 572 Q CB 2.367 31.290 28.738 0.308 0.000 1.347 572 Q HN 0.443 nan 8.270 nan 0.000 0.444 573 R N 1.035 121.669 120.500 0.224 0.000 2.491 573 R HA 0.495 4.834 4.340 -0.000 0.000 0.283 573 R C -1.155 175.289 176.300 0.239 0.000 1.072 573 R CA 0.497 56.751 56.100 0.257 0.000 1.048 573 R CB 0.581 31.043 30.300 0.270 0.000 0.983 573 R HN 0.736 nan 8.270 nan 0.000 0.450 574 A N 4.799 127.746 122.820 0.212 0.000 2.605 574 A HA 0.160 4.480 4.320 -0.000 0.000 0.293 574 A C -0.948 176.741 177.584 0.175 0.000 1.216 574 A CA -0.584 51.559 52.037 0.176 0.000 0.742 574 A CB 1.193 20.228 19.000 0.059 0.000 1.170 574 A HN 0.780 nan 8.150 nan 0.000 0.443 575 Q N 2.118 122.067 119.800 0.248 0.000 2.307 575 Q HA 0.436 4.775 4.340 -0.000 0.000 0.261 575 Q C -1.060 175.145 176.000 0.341 0.000 1.051 575 Q CA 0.097 56.059 55.803 0.265 0.000 0.911 575 Q CB 0.221 29.178 28.738 0.364 0.000 1.227 575 Q HN 0.683 nan 8.270 nan 0.000 0.418 576 I N 4.376 125.073 120.570 0.212 0.000 2.315 576 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 576 I C -0.209 175.944 176.117 0.060 0.000 1.006 576 I CA -0.220 61.217 61.300 0.228 0.000 1.265 576 I CB 0.858 39.032 38.000 0.291 0.000 1.387 576 I HN 0.514 nan 8.210 nan 0.000 0.475 577 H N 5.776 124.816 119.070 -0.050 0.000 2.551 577 H HA 0.618 5.173 4.556 -0.001 0.000 0.321 577 H C -0.608 174.477 175.328 -0.405 0.000 1.028 577 H CA -0.776 55.150 56.048 -0.204 0.000 1.215 577 H CB 1.808 31.584 29.762 0.023 0.000 1.414 577 H HN 0.637 nan 8.280 nan 0.000 0.480 578 A N 6.191 128.574 122.820 -0.729 0.000 2.277 578 A HA 0.365 4.685 4.320 -0.000 0.000 0.318 578 A C 0.039 177.481 177.584 -0.236 0.000 1.339 578 A CA -0.705 50.999 52.037 -0.555 0.000 0.875 578 A CB 0.266 18.710 19.000 -0.927 0.000 1.158 578 A HN 0.613 nan 8.150 nan 0.000 0.514 579 L N 2.413 123.580 121.223 -0.093 0.000 2.397 579 L HA 0.174 4.514 4.340 -0.000 0.000 0.271 579 L C 1.346 178.216 176.870 0.001 0.000 1.148 579 L CA -0.433 54.391 54.840 -0.026 0.000 0.825 579 L CB 0.568 42.621 42.059 -0.011 0.000 1.117 579 L HN 0.814 nan 8.230 nan 0.000 0.456 580 E N 3.016 123.233 120.200 0.029 0.000 2.114 580 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 580 E C 1.810 178.424 176.600 0.024 0.000 1.008 580 E CA 1.661 58.083 56.400 0.037 0.000 0.810 580 E CB -0.002 29.725 29.700 0.045 0.000 0.739 580 E HN 1.004 nan 8.360 nan 0.000 0.456 581 G N -0.399 108.411 108.800 0.017 0.000 2.708 581 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.210 581 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.210 581 G C 1.106 176.012 174.900 0.010 0.000 1.141 581 G CA 0.839 45.946 45.100 0.012 0.000 0.788 581 G HN 0.470 nan 8.290 nan 0.000 0.531 582 G N -0.145 108.662 108.800 0.011 0.000 2.284 582 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.216 582 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.216 582 G C 0.566 175.470 174.900 0.007 0.000 1.009 582 G CA 0.238 45.345 45.100 0.012 0.000 0.625 582 G HN 0.752 nan 8.290 nan 0.000 0.501 583 E N 0.683 120.884 120.200 0.001 0.000 2.435 583 E HA 0.485 4.835 4.350 -0.000 0.000 0.256 583 E C -0.101 176.492 176.600 -0.011 0.000 1.245 583 E CA 0.203 56.602 56.400 -0.002 0.000 0.989 583 E CB 1.746 31.445 29.700 -0.003 0.000 0.983 583 E HN 1.282 nan 8.360 nan 0.000 0.480 584 V N -0.239 119.670 119.914 -0.009 0.000 2.737 584 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 584 V C -1.710 174.378 176.094 -0.011 0.000 1.163 584 V CA -0.748 61.546 62.300 -0.010 0.000 0.925 584 V CB 1.582 33.407 31.823 0.004 0.000 1.037 584 V HN 0.701 nan 8.190 nan 0.000 0.433 585 K N 7.234 127.636 120.400 0.003 0.000 2.324 585 K HA 0.701 5.020 4.320 -0.000 0.000 0.253 585 K C -1.185 175.347 176.600 -0.114 0.000 0.932 585 K CA -0.716 55.493 56.287 -0.129 0.000 0.799 585 K CB 2.744 35.137 32.500 -0.178 0.000 1.154 585 K HN 0.702 nan 8.250 nan 0.000 0.425 586 I N 2.254 122.661 120.570 -0.271 0.000 2.441 586 I HA 0.460 4.629 4.170 -0.000 0.000 0.295 586 I C -0.722 175.176 176.117 -0.365 0.000 0.994 586 I CA -0.901 60.352 61.300 -0.080 0.000 1.144 586 I CB 0.709 38.771 38.000 0.103 0.000 1.314 586 I HN 0.340 nan 8.210 nan 0.000 0.445 587 F N 2.280 122.316 119.950 0.143 0.000 2.561 587 F HA 0.465 4.992 4.527 -0.000 0.000 0.321 587 F C 0.740 176.627 175.800 0.144 0.000 1.065 587 F CA -0.783 57.281 58.000 0.106 0.000 0.934 587 F CB 1.947 40.974 39.000 0.046 0.000 1.215 587 F HN 0.499 nan 8.300 nan 0.000 0.471 588 S N 1.687 117.571 115.700 0.307 0.000 2.608 588 S HA 0.183 4.653 4.470 -0.000 0.000 0.261 588 S C 1.464 176.199 174.600 0.225 0.000 1.314 588 S CA -0.556 57.789 58.200 0.243 0.000 0.992 588 S CB 0.808 64.122 63.200 0.191 0.000 0.935 588 S HN 0.845 nan 8.310 nan 0.000 0.564 589 R N 1.033 121.649 120.500 0.194 0.000 2.226 589 R HA -0.150 4.189 4.340 -0.000 0.000 0.246 589 R C 0.196 176.572 176.300 0.128 0.000 1.161 589 R CA 1.766 57.964 56.100 0.162 0.000 0.997 589 R CB -0.655 29.734 30.300 0.147 0.000 0.870 589 R HN 0.775 nan 8.270 nan 0.000 0.465 590 N N 0.506 119.283 118.700 0.129 0.000 2.238 590 N HA 0.002 4.742 4.740 -0.000 0.000 0.222 590 N C -0.309 175.255 175.510 0.090 0.000 1.133 590 N CA 0.071 53.180 53.050 0.098 0.000 0.854 590 N CB 0.991 39.535 38.487 0.093 0.000 1.041 590 N HN 0.118 nan 8.380 nan 0.000 0.510 591 Q N -0.576 119.298 119.800 0.123 0.000 2.374 591 Q HA -0.203 4.137 4.340 -0.000 0.000 0.218 591 Q C -0.409 175.732 176.000 0.235 0.000 0.691 591 Q CA 1.010 56.875 55.803 0.104 0.000 1.340 591 Q CB -1.767 26.952 28.738 -0.032 0.000 1.498 591 Q HN 0.407 nan 8.270 nan 0.000 0.739 592 E N 1.273 121.601 120.200 0.212 0.000 2.392 592 E HA 0.099 4.448 4.350 -0.000 0.000 0.264 592 E C -0.350 176.359 176.600 0.183 0.000 1.024 592 E CA -0.038 56.467 56.400 0.175 0.000 0.903 592 E CB 0.555 30.326 29.700 0.118 0.000 0.963 592 E HN 0.099 nan 8.360 nan 0.000 0.432 593 D N 3.318 123.761 120.400 0.072 0.000 2.374 593 D HA 0.048 4.687 4.640 -0.000 0.000 0.240 593 D C -0.246 175.959 176.300 -0.158 0.000 1.229 593 D CA 0.296 54.208 54.000 -0.145 0.000 0.895 593 D CB -0.023 40.708 40.800 -0.117 0.000 1.046 593 D HN 0.488 nan 8.370 nan 0.000 0.498 594 N N 1.653 120.244 118.700 -0.182 0.000 2.336 594 N HA -0.015 4.724 4.740 -0.000 0.000 0.189 594 N C -0.151 175.283 175.510 -0.126 0.000 1.113 594 N CA -0.059 52.929 53.050 -0.103 0.000 0.858 594 N CB 0.454 38.967 38.487 0.043 0.000 0.970 594 N HN 0.285 nan 8.380 nan 0.000 0.471 595 T N 0.313 114.749 114.554 -0.196 0.000 2.822 595 T HA 0.174 4.524 4.350 -0.000 0.000 0.288 595 T C 1.305 175.937 174.700 -0.113 0.000 0.991 595 T CA 0.863 62.881 62.100 -0.137 0.000 1.176 595 T CB 0.812 69.561 68.868 -0.199 0.000 0.951 595 T HN 0.510 nan 8.240 nan 0.000 0.526 596 G N 3.579 112.330 108.800 -0.083 0.000 2.697 596 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.200 596 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.200 596 G C 1.003 175.814 174.900 -0.148 0.000 1.106 596 G CA 0.287 45.331 45.100 -0.092 0.000 0.748 596 G HN 0.643 nan 8.290 nan 0.000 0.503 597 K N 0.035 120.266 120.400 -0.282 0.000 2.127 597 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 597 K C 0.800 177.085 176.600 -0.524 0.000 1.047 597 K CA 1.845 57.790 56.287 -0.571 0.000 0.927 597 K CB -0.283 31.558 32.500 -1.099 0.000 0.716 597 K HN 0.588 nan 8.250 nan 0.000 0.450 598 Y N -0.943 119.364 120.300 0.012 0.000 2.578 598 Y HA 0.218 4.767 4.550 -0.001 0.000 0.317 598 Y C -1.907 174.006 175.900 0.020 0.000 0.940 598 Y CA -2.010 56.106 58.100 0.026 0.000 1.174 598 Y CB 1.093 39.575 38.460 0.037 0.000 1.198 598 Y HN 0.114 nan 8.280 nan 0.000 0.597 599 P HA -0.251 nan 4.420 nan 0.000 0.216 599 P C 0.944 178.298 177.300 0.090 0.000 1.154 599 P CA 2.056 65.204 63.100 0.080 0.000 0.865 599 P CB 0.276 32.005 31.700 0.049 0.000 0.789 600 D N 0.411 120.878 120.400 0.113 0.000 2.097 600 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 600 D C 2.191 178.539 176.300 0.079 0.000 0.989 600 D CA 0.993 55.049 54.000 0.094 0.000 0.827 600 D CB -1.316 39.548 40.800 0.107 0.000 0.966 600 D HN 0.221 nan 8.370 nan 0.000 0.456 601 I N 1.060 121.689 120.570 0.098 0.000 2.087 601 I HA -0.313 3.857 4.170 -0.000 0.000 0.240 601 I C 2.781 178.932 176.117 0.056 0.000 1.054 601 I CA 1.304 62.640 61.300 0.059 0.000 1.311 601 I CB -0.349 37.680 38.000 0.048 0.000 1.024 601 I HN -0.029 nan 8.210 nan 0.000 0.402 602 I N 0.784 121.398 120.570 0.072 0.000 2.151 602 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 602 I C 2.780 178.921 176.117 0.040 0.000 1.080 602 I CA 1.998 63.334 61.300 0.058 0.000 1.339 602 I CB -0.754 37.277 38.000 0.052 0.000 1.039 602 I HN 0.392 nan 8.210 nan 0.000 0.409 603 S N 1.054 116.775 115.700 0.034 0.000 2.423 603 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 603 S C 1.962 176.566 174.600 0.007 0.000 1.014 603 S CA 0.635 58.847 58.200 0.021 0.000 0.965 603 S CB -0.341 62.873 63.200 0.023 0.000 0.785 603 S HN 0.432 nan 8.310 nan 0.000 0.495 604 R N 0.147 120.650 120.500 0.004 0.000 2.297 604 R HA 0.264 4.604 4.340 -0.000 0.000 0.197 604 R C 1.508 177.775 176.300 -0.056 0.000 0.943 604 R CA 0.041 56.126 56.100 -0.024 0.000 1.038 604 R CB -0.277 30.010 30.300 -0.021 0.000 0.957 604 R HN 0.402 nan 8.270 nan 0.000 0.484 605 I N 1.710 122.269 120.570 -0.019 0.000 2.163 605 I HA -0.168 4.001 4.170 -0.000 0.000 0.243 605 I C -0.686 175.402 176.117 -0.050 0.000 1.085 605 I CA 1.392 62.687 61.300 -0.008 0.000 1.347 605 I CB -1.881 36.176 38.000 0.095 0.000 1.044 605 I HN -0.032 nan 8.210 nan 0.000 0.408 606 P HA -0.180 nan 4.420 nan 0.000 0.216 606 P C 1.202 178.447 177.300 -0.092 0.000 1.150 606 P CA 1.654 64.728 63.100 -0.044 0.000 0.837 606 P CB -0.164 31.521 31.700 -0.026 0.000 0.786 607 K N -1.189 119.150 120.400 -0.102 0.000 2.505 607 K HA 0.104 4.423 4.320 -0.000 0.000 0.192 607 K C 1.452 177.942 176.600 -0.183 0.000 1.025 607 K CA 0.547 56.764 56.287 -0.117 0.000 1.086 607 K CB -0.540 31.910 32.500 -0.084 0.000 0.840 607 K HN 0.079 nan 8.250 nan 0.000 0.514 608 I N 1.258 121.662 120.570 -0.276 0.000 3.035 608 I HA -0.030 4.140 4.170 -0.000 0.000 0.271 608 I C 0.483 176.357 176.117 -0.404 0.000 1.190 608 I CA 0.154 61.148 61.300 -0.510 0.000 1.472 608 I CB 0.407 37.900 38.000 -0.844 0.000 1.116 608 I HN 0.190 nan 8.210 nan 0.000 0.443 609 K N 0.822 120.981 120.400 -0.403 0.000 2.295 609 K HA 0.373 4.693 4.320 -0.000 0.000 0.239 609 K C -0.844 175.513 176.600 -0.405 0.000 0.991 609 K CA -0.719 55.184 56.287 -0.639 0.000 0.845 609 K CB 1.880 34.016 32.500 -0.606 0.000 1.197 609 K HN -0.052 nan 8.250 nan 0.000 0.441 610 L N 2.047 123.006 121.223 -0.440 0.000 2.436 610 L HA 0.182 4.521 4.340 -0.000 0.000 0.265 610 L C -1.588 175.169 176.870 -0.188 0.000 1.168 610 L CA -1.550 53.141 54.840 -0.249 0.000 0.815 610 L CB 0.985 42.915 42.059 -0.215 0.000 1.109 610 L HN 0.557 nan 8.230 nan 0.000 0.462 611 P HA -0.189 nan 4.420 nan 0.000 0.217 611 P C 1.226 178.482 177.300 -0.073 0.000 1.148 611 P CA 1.627 64.677 63.100 -0.083 0.000 0.834 611 P CB 0.091 31.754 31.700 -0.063 0.000 0.783 612 S N -2.022 113.628 115.700 -0.082 0.000 2.489 612 S HA -0.007 4.462 4.470 -0.000 0.000 0.228 612 S C 0.907 175.468 174.600 -0.065 0.000 0.995 612 S CA 0.120 58.281 58.200 -0.064 0.000 0.934 612 S CB -1.156 62.007 63.200 -0.062 0.000 0.771 612 S HN -0.100 nan 8.310 nan 0.000 0.522 613 V N 4.171 124.024 119.914 -0.101 0.000 2.403 613 V HA 0.119 4.239 4.120 -0.000 0.000 0.265 613 V C 1.681 177.778 176.094 0.007 0.000 1.034 613 V CA 0.607 62.859 62.300 -0.079 0.000 1.036 613 V CB -0.164 31.525 31.823 -0.224 0.000 1.032 613 V HN 0.688 nan 8.190 nan 0.000 0.478 614 T N 0.253 114.828 114.554 0.036 0.000 3.054 614 T HA 0.138 4.488 4.350 -0.000 0.000 0.259 614 T C 0.583 175.341 174.700 0.096 0.000 1.092 614 T CA 0.506 62.637 62.100 0.052 0.000 1.121 614 T CB 0.102 68.990 68.868 0.033 0.000 0.912 614 T HN 0.796 nan 8.240 nan 0.000 0.489 615 S N 0.543 116.337 115.700 0.158 0.000 2.580 615 S HA 0.624 5.094 4.470 -0.000 0.000 0.281 615 S C -1.357 173.446 174.600 0.338 0.000 1.129 615 S CA -1.395 56.918 58.200 0.187 0.000 0.862 615 S CB 1.081 64.403 63.200 0.202 0.000 1.090 615 S HN 0.731 nan 8.310 nan 0.000 0.451 616 F N -0.778 119.303 119.950 0.218 0.000 2.693 616 F HA 0.835 5.362 4.527 -0.001 0.000 0.309 616 F C -2.062 173.827 175.800 0.147 0.000 1.129 616 F CA -1.370 56.777 58.000 0.246 0.000 0.948 616 F CB 0.919 40.111 39.000 0.320 0.000 1.315 616 F HN 0.610 nan 8.300 nan 0.000 0.447 617 I N 3.572 124.298 120.570 0.259 0.000 2.411 617 I HA 0.411 4.580 4.170 -0.000 0.000 0.284 617 I C -1.270 174.882 176.117 0.058 0.000 1.012 617 I CA -0.587 60.672 61.300 -0.069 0.000 1.119 617 I CB 1.797 39.622 38.000 -0.291 0.000 1.261 617 I HN 0.551 nan 8.210 nan 0.000 0.448 618 L N 5.785 127.077 121.223 0.115 0.000 2.317 618 L HA 0.423 4.762 4.340 -0.000 0.000 0.281 618 L C -0.319 176.478 176.870 -0.123 0.000 1.024 618 L CA -0.510 54.332 54.840 0.003 0.000 0.810 618 L CB 1.525 43.646 42.059 0.104 0.000 1.240 618 L HN 0.454 nan 8.230 nan 0.000 0.427 619 D N 1.902 122.121 120.400 -0.302 0.000 2.313 619 D HA 0.353 4.993 4.640 -0.000 0.000 0.239 619 D C -0.858 174.886 176.300 -0.927 0.000 1.142 619 D CA 0.233 53.945 54.000 -0.480 0.000 0.847 619 D CB 1.324 41.843 40.800 -0.469 0.000 1.082 619 D HN 0.395 nan 8.370 nan 0.000 0.480 620 T N 2.325 116.625 114.554 -0.423 0.000 2.923 620 T HA 0.249 4.599 4.350 -0.000 0.000 0.311 620 T C -0.973 173.880 174.700 0.255 0.000 1.183 620 T CA -0.637 61.381 62.100 -0.136 0.000 1.020 620 T CB 1.957 70.795 68.868 -0.050 0.000 1.165 620 T HN 0.235 nan 8.240 nan 0.000 0.482 621 E N 1.365 121.789 120.200 0.373 0.000 2.156 621 E HA 0.668 5.018 4.350 -0.000 0.000 0.279 621 E C -0.486 176.227 176.600 0.189 0.000 0.965 621 E CA -0.567 56.004 56.400 0.286 0.000 0.789 621 E CB 1.077 30.938 29.700 0.267 0.000 1.098 621 E HN 0.745 nan 8.360 nan 0.000 0.397 622 A N 3.526 126.424 122.820 0.131 0.000 2.401 622 A HA 0.491 4.811 4.320 -0.000 0.000 0.259 622 A C -0.691 177.012 177.584 0.198 0.000 1.103 622 A CA -0.411 51.674 52.037 0.080 0.000 0.789 622 A CB 0.511 19.467 19.000 -0.074 0.000 1.035 622 A HN 0.437 nan 8.150 nan 0.000 0.491 623 V N 1.506 121.571 119.914 0.251 0.000 2.789 623 V HA 0.627 4.746 4.120 -0.000 0.000 0.311 623 V C 0.549 176.851 176.094 0.347 0.000 1.073 623 V CA -0.589 61.900 62.300 0.316 0.000 0.921 623 V CB 1.530 33.571 31.823 0.363 0.000 1.009 623 V HN 1.261 nan 8.190 nan 0.000 0.426 624 A N 4.505 127.518 122.820 0.322 0.000 2.492 624 A HA 0.394 4.714 4.320 -0.000 0.000 0.254 624 A C -0.553 177.267 177.584 0.393 0.000 1.091 624 A CA -0.034 52.181 52.037 0.297 0.000 0.768 624 A CB 0.174 19.299 19.000 0.209 0.000 1.028 624 A HN 0.941 nan 8.150 nan 0.000 0.498 625 W N 2.801 124.175 121.300 0.123 0.000 2.785 625 W HA 0.300 4.960 4.660 -0.000 0.000 0.333 625 W C -1.413 175.156 176.519 0.083 0.000 1.062 625 W CA -0.684 56.730 57.345 0.114 0.000 1.233 625 W CB 1.836 31.364 29.460 0.113 0.000 1.413 625 W HN 0.664 nan 8.180 nan 0.000 0.489 626 D N 4.251 124.203 120.400 -0.748 0.000 2.468 626 D HA 0.162 4.801 4.640 -0.000 0.000 0.218 626 D C 1.695 177.656 176.300 -0.566 0.000 1.155 626 D CA 0.298 53.977 54.000 -0.534 0.000 0.924 626 D CB 1.014 41.529 40.800 -0.475 0.000 1.029 626 D HN 0.650 nan 8.370 nan 0.000 0.515 627 R N 2.667 123.094 120.500 -0.121 0.000 2.159 627 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 627 R C 1.899 178.213 176.300 0.023 0.000 1.131 627 R CA 2.324 58.490 56.100 0.110 0.000 0.982 627 R CB -1.325 29.078 30.300 0.172 0.000 0.868 627 R HN 0.594 nan 8.270 nan 0.000 0.453 628 E N 0.942 121.111 120.200 -0.051 0.000 2.021 628 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 628 E C 2.144 178.701 176.600 -0.072 0.000 0.971 628 E CA 1.208 57.583 56.400 -0.040 0.000 0.825 628 E CB -0.469 29.209 29.700 -0.037 0.000 0.788 628 E HN 0.634 nan 8.360 nan 0.000 0.460 629 K N -0.221 120.103 120.400 -0.126 0.000 2.280 629 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 629 K C -0.239 176.254 176.600 -0.179 0.000 1.047 629 K CA 0.892 57.097 56.287 -0.136 0.000 0.942 629 K CB -0.021 32.388 32.500 -0.152 0.000 0.739 629 K HN 0.265 nan 8.250 nan 0.000 0.457 630 K N 0.828 121.044 120.400 -0.306 0.000 4.326 630 K HA -0.222 4.098 4.320 -0.000 0.000 0.299 630 K C -0.801 175.436 176.600 -0.604 0.000 1.005 630 K CA 0.467 56.548 56.287 -0.342 0.000 0.935 630 K CB -1.265 31.274 32.500 0.065 0.000 1.551 630 K HN 0.354 nan 8.250 nan 0.000 0.438 631 Q N 0.081 119.025 119.800 -1.425 0.000 2.647 631 Q HA 0.386 4.725 4.340 -0.000 0.000 0.283 631 Q C -0.992 174.483 176.000 -0.875 0.000 0.943 631 Q CA -0.854 54.410 55.803 -0.898 0.000 0.813 631 Q CB 1.673 30.210 28.738 -0.335 0.000 1.477 631 Q HN 0.371 nan 8.270 nan 0.000 0.393 632 I N 3.823 124.369 120.570 -0.039 0.000 2.505 632 I HA 0.010 4.179 4.170 -0.000 0.000 0.287 632 I C 0.435 176.600 176.117 0.080 0.000 1.104 632 I CA 0.153 61.612 61.300 0.265 0.000 1.387 632 I CB 0.336 38.556 38.000 0.366 0.000 1.404 632 I HN 0.410 nan 8.210 nan 0.000 0.528 633 Q N 7.508 127.358 119.800 0.083 0.000 2.212 633 Q HA 0.520 4.860 4.340 -0.000 0.000 0.238 633 Q C -2.592 173.469 176.000 0.102 0.000 0.955 633 Q CA -2.191 53.642 55.803 0.050 0.000 0.906 633 Q CB 0.183 28.934 28.738 0.021 0.000 1.215 633 Q HN 0.278 nan 8.270 nan 0.000 0.478 634 P HA -0.072 nan 4.420 nan 0.000 0.268 634 P C -0.111 177.279 177.300 0.149 0.000 1.208 634 P CA -0.191 62.972 63.100 0.105 0.000 0.777 634 P CB 0.230 31.969 31.700 0.066 0.000 0.875 635 F N 1.881 121.869 119.950 0.064 0.000 2.202 635 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 635 F C 1.883 177.729 175.800 0.077 0.000 1.082 635 F CA 1.634 59.683 58.000 0.082 0.000 1.313 635 F CB -0.557 38.490 39.000 0.079 0.000 1.024 635 F HN 0.309 nan 8.300 nan 0.000 0.495 636 Q N 0.282 119.904 119.800 -0.296 0.000 2.061 636 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 636 Q C 2.388 178.270 176.000 -0.196 0.000 0.984 636 Q CA 2.329 57.928 55.803 -0.340 0.000 0.846 636 Q CB -0.531 28.125 28.738 -0.137 0.000 0.902 636 Q HN 0.431 nan 8.270 nan 0.000 0.421 637 V N 1.650 121.522 119.914 -0.070 0.000 2.278 637 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 637 V C 2.325 178.418 176.094 -0.002 0.000 1.062 637 V CA 1.747 64.038 62.300 -0.015 0.000 1.038 637 V CB -0.831 31.011 31.823 0.031 0.000 0.646 637 V HN 0.451 nan 8.190 nan 0.000 0.447 638 L N 1.006 122.242 121.223 0.022 0.000 2.043 638 L HA -0.198 4.141 4.340 -0.000 0.000 0.212 638 L C 2.487 179.374 176.870 0.030 0.000 1.075 638 L CA 2.597 57.492 54.840 0.092 0.000 0.752 638 L CB -0.710 41.479 42.059 0.217 0.000 0.891 638 L HN 0.699 nan 8.230 nan 0.000 0.432 639 T N -5.284 109.195 114.554 -0.126 0.000 3.361 639 T HA -0.093 4.257 4.350 -0.000 0.000 0.251 639 T C 1.257 175.921 174.700 -0.059 0.000 1.131 639 T CA 0.918 62.948 62.100 -0.117 0.000 1.001 639 T CB -0.327 68.370 68.868 -0.284 0.000 1.003 639 T HN 0.211 nan 8.240 nan 0.000 0.558 640 T N 1.162 115.700 114.554 -0.026 0.000 3.023 640 T HA 0.237 4.587 4.350 -0.000 0.000 0.253 640 T C 0.694 175.395 174.700 0.003 0.000 1.038 640 T CA -0.606 61.484 62.100 -0.016 0.000 0.962 640 T CB -0.023 68.837 68.868 -0.012 0.000 1.018 640 T HN 0.469 nan 8.240 nan 0.000 0.521 641 R N 2.236 122.748 120.500 0.019 0.000 2.543 641 R HA 0.300 4.639 4.340 -0.000 0.000 0.277 641 R C 0.129 176.423 176.300 -0.012 0.000 1.074 641 R CA -0.360 55.751 56.100 0.019 0.000 1.076 641 R CB 0.633 30.960 30.300 0.045 0.000 0.993 641 R HN 0.131 nan 8.270 nan 0.000 0.459 642 K N 1.850 122.239 120.400 -0.017 0.000 2.489 642 K HA -0.072 4.247 4.320 -0.000 0.000 0.278 642 K C 1.536 178.097 176.600 -0.064 0.000 1.000 642 K CA 0.532 56.800 56.287 -0.032 0.000 1.012 642 K CB 0.795 33.280 32.500 -0.025 0.000 0.903 642 K HN 0.736 nan 8.250 nan 0.000 0.485 643 R N 3.583 124.046 120.500 -0.063 0.000 2.055 643 R HA -0.105 4.235 4.340 -0.000 0.000 0.226 643 R C 2.427 178.666 176.300 -0.101 0.000 1.135 643 R CA 2.078 58.123 56.100 -0.092 0.000 0.959 643 R CB -1.289 28.977 30.300 -0.058 0.000 0.854 643 R HN 0.712 nan 8.270 nan 0.000 0.431 644 K N 0.309 120.669 120.400 -0.067 0.000 1.975 644 K HA 0.218 4.538 4.320 -0.000 0.000 0.217 644 K C 1.692 178.258 176.600 -0.058 0.000 1.037 644 K CA 1.321 57.574 56.287 -0.057 0.000 0.971 644 K CB -1.414 31.063 32.500 -0.038 0.000 0.749 644 K HN 0.950 nan 8.250 nan 0.000 0.444 645 E N -0.382 119.793 120.200 -0.042 0.000 2.392 645 E HA 0.508 4.858 4.350 -0.000 0.000 0.264 645 E C 0.351 176.932 176.600 -0.032 0.000 1.024 645 E CA 0.071 56.452 56.400 -0.032 0.000 0.903 645 E CB 0.291 29.978 29.700 -0.020 0.000 0.963 645 E HN 1.308 nan 8.360 nan 0.000 0.432 646 V N 2.159 122.059 119.914 -0.024 0.000 2.584 646 V HA 0.242 4.362 4.120 -0.000 0.000 0.319 646 V C 0.370 176.465 176.094 0.001 0.000 1.363 646 V CA -0.125 62.169 62.300 -0.010 0.000 1.518 646 V CB -0.368 31.451 31.823 -0.006 0.000 1.514 646 V HN 0.705 nan 8.190 nan 0.000 0.553 647 D N 2.210 122.610 120.400 0.000 0.000 2.541 647 D HA 0.216 4.856 4.640 -0.000 0.000 0.231 647 D C 1.230 177.539 176.300 0.016 0.000 1.163 647 D CA 0.614 54.617 54.000 0.006 0.000 1.077 647 D CB 1.112 41.914 40.800 0.003 0.000 1.110 647 D HN 0.483 nan 8.370 nan 0.000 0.499 648 A N 2.109 124.941 122.820 0.021 0.000 2.084 648 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 648 A C 2.191 179.795 177.584 0.034 0.000 1.161 648 A CA 1.479 53.535 52.037 0.033 0.000 0.653 648 A CB -0.314 18.707 19.000 0.034 0.000 0.802 648 A HN 0.516 nan 8.150 nan 0.000 0.457 649 S N -0.371 115.345 115.700 0.026 0.000 2.436 649 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 649 S C 1.233 175.848 174.600 0.026 0.000 1.014 649 S CA 1.000 59.215 58.200 0.026 0.000 0.950 649 S CB -0.157 63.055 63.200 0.020 0.000 0.784 649 S HN 0.531 nan 8.310 nan 0.000 0.504 650 E N 1.415 121.628 120.200 0.023 0.000 2.512 650 E HA 0.119 4.468 4.350 -0.000 0.000 0.195 650 E C -0.180 176.436 176.600 0.027 0.000 1.083 650 E CA -0.134 56.279 56.400 0.020 0.000 0.873 650 E CB -0.580 29.127 29.700 0.013 0.000 0.897 650 E HN 0.705 nan 8.360 nan 0.000 0.514 651 I N -0.010 120.583 120.570 0.038 0.000 2.453 651 I HA 0.093 4.263 4.170 -0.000 0.000 0.300 651 I C 1.131 177.280 176.117 0.053 0.000 1.159 651 I CA -0.103 61.228 61.300 0.052 0.000 1.379 651 I CB 0.295 38.338 38.000 0.071 0.000 1.460 651 I HN -0.229 nan 8.210 nan 0.000 0.601 652 Q N 3.851 123.677 119.800 0.044 0.000 2.119 652 Q HA 0.093 4.433 4.340 -0.000 0.000 0.201 652 Q C 0.367 176.400 176.000 0.054 0.000 0.972 652 Q CA 1.159 56.986 55.803 0.041 0.000 0.847 652 Q CB 0.199 28.955 28.738 0.029 0.000 0.903 652 Q HN 0.684 nan 8.270 nan 0.000 0.433 653 V N 2.154 122.109 119.914 0.069 0.000 2.334 653 V HA 0.172 4.292 4.120 -0.000 0.000 0.267 653 V C 0.058 176.230 176.094 0.129 0.000 1.040 653 V CA -0.564 61.791 62.300 0.091 0.000 0.866 653 V CB 1.123 33.001 31.823 0.091 0.000 1.019 653 V HN 0.225 nan 8.190 nan 0.000 0.468 654 Q N 2.572 122.459 119.800 0.145 0.000 2.417 654 Q HA 0.519 4.858 4.340 -0.000 0.000 0.241 654 Q C -0.742 175.404 176.000 0.242 0.000 1.008 654 Q CA -0.154 55.762 55.803 0.189 0.000 0.901 654 Q CB 2.239 31.106 28.738 0.214 0.000 1.259 654 Q HN 0.527 nan 8.270 nan 0.000 0.489 655 V N 0.609 120.656 119.914 0.222 0.000 2.789 655 V HA 0.310 4.430 4.120 -0.000 0.000 0.311 655 V C -0.836 175.326 176.094 0.115 0.000 1.073 655 V CA -0.812 61.611 62.300 0.205 0.000 0.921 655 V CB 2.163 34.076 31.823 0.149 0.000 1.009 655 V HN 0.919 nan 8.190 nan 0.000 0.426 656 C N 6.212 125.571 119.300 0.098 0.000 2.340 656 C HA 0.689 5.148 4.460 -0.000 0.000 0.323 656 C C -0.650 174.270 174.990 -0.116 0.000 1.260 656 C CA -0.704 58.220 59.018 -0.156 0.000 1.464 656 C CB 0.272 27.690 27.740 -0.536 0.000 2.156 656 C HN 0.731 nan 8.230 nan 0.000 0.476 657 L N 6.300 127.402 121.223 -0.202 0.000 2.367 657 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 657 L C -0.401 176.195 176.870 -0.458 0.000 1.129 657 L CA 0.397 55.146 54.840 -0.153 0.000 0.839 657 L CB 0.042 42.089 42.059 -0.020 0.000 1.133 657 L HN 0.615 nan 8.230 nan 0.000 0.453 658 Y N 2.448 122.581 120.300 -0.280 0.000 2.342 658 Y HA 0.618 5.168 4.550 -0.001 0.000 0.338 658 Y C 0.590 176.375 175.900 -0.192 0.000 0.965 658 Y CA -0.802 57.071 58.100 -0.379 0.000 1.159 658 Y CB 1.151 39.175 38.460 -0.726 0.000 1.157 658 Y HN 0.684 nan 8.280 nan 0.000 0.486 659 A N 3.319 125.998 122.820 -0.235 0.000 2.322 659 A HA 0.631 4.951 4.320 -0.000 0.000 0.269 659 A C -0.227 177.360 177.584 0.006 0.000 1.094 659 A CA -0.237 51.656 52.037 -0.239 0.000 0.807 659 A CB -0.067 18.705 19.000 -0.380 0.000 1.047 659 A HN 0.881 nan 8.150 nan 0.000 0.487 660 F N -2.043 117.860 119.950 -0.078 0.000 3.142 660 F HA 0.432 4.958 4.527 -0.001 0.000 0.376 660 F C -0.521 175.232 175.800 -0.079 0.000 1.161 660 F CA -0.426 57.528 58.000 -0.077 0.000 0.988 660 F CB 0.437 39.414 39.000 -0.039 0.000 1.457 660 F HN 0.409 nan 8.300 nan 0.000 0.516 661 D N 1.099 121.292 120.400 -0.345 0.000 2.663 661 D HA 0.413 5.053 4.640 -0.000 0.000 0.233 661 D C -1.891 174.262 176.300 -0.245 0.000 1.240 661 D CA -0.152 53.743 54.000 -0.174 0.000 0.774 661 D CB 2.901 43.741 40.800 0.067 0.000 1.443 661 D HN 0.216 nan 8.370 nan 0.000 0.441 662 L N 4.455 125.580 121.223 -0.163 0.000 2.427 662 L HA 0.296 4.635 4.340 -0.000 0.000 0.264 662 L C 0.692 177.493 176.870 -0.115 0.000 0.989 662 L CA -0.610 54.150 54.840 -0.134 0.000 0.865 662 L CB 1.069 43.074 42.059 -0.090 0.000 1.209 662 L HN 0.438 nan 8.230 nan 0.000 0.430 663 I N 4.054 124.528 120.570 -0.159 0.000 2.617 663 I HA -0.032 4.138 4.170 -0.000 0.000 0.256 663 I C 0.056 176.197 176.117 0.038 0.000 1.167 663 I CA 1.014 62.200 61.300 -0.190 0.000 1.469 663 I CB -0.600 37.222 38.000 -0.296 0.000 1.098 663 I HN 0.514 nan 8.210 nan 0.000 0.436 664 Y N 0.751 121.008 120.300 -0.071 0.000 2.357 664 Y HA 0.514 5.064 4.550 -0.000 0.000 0.319 664 Y C -1.782 174.150 175.900 0.055 0.000 1.225 664 Y CA -0.910 57.175 58.100 -0.024 0.000 1.095 664 Y CB 1.233 39.654 38.460 -0.066 0.000 1.302 664 Y HN -0.138 nan 8.280 nan 0.000 0.429 665 L N 7.373 128.358 121.223 -0.396 0.000 2.555 665 L HA 0.399 4.739 4.340 -0.000 0.000 0.264 665 L C -1.225 175.515 176.870 -0.217 0.000 0.972 665 L CA -0.398 54.367 54.840 -0.125 0.000 0.876 665 L CB 1.249 43.316 42.059 0.014 0.000 1.216 665 L HN 1.035 nan 8.230 nan 0.000 0.415 666 N N 3.877 122.512 118.700 -0.109 0.000 2.726 666 N HA -0.164 4.575 4.740 -0.000 0.000 0.253 666 N C 0.900 176.324 175.510 -0.142 0.000 1.059 666 N CA 1.400 54.409 53.050 -0.069 0.000 0.701 666 N CB -1.164 37.294 38.487 -0.048 0.000 0.899 666 N HN 1.138 nan 8.380 nan 0.000 0.548 667 G N -1.262 107.431 108.800 -0.177 0.000 2.268 667 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.240 667 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.240 667 G C -0.257 174.483 174.900 -0.267 0.000 1.010 667 G CA 0.549 45.595 45.100 -0.090 0.000 0.618 667 G HN 0.556 nan 8.290 nan 0.000 0.516 668 E N 0.602 120.475 120.200 -0.546 0.000 2.191 668 E HA 0.545 4.895 4.350 -0.000 0.000 0.274 668 E C -0.536 175.680 176.600 -0.641 0.000 0.948 668 E CA -0.296 55.856 56.400 -0.412 0.000 0.802 668 E CB 1.979 31.544 29.700 -0.225 0.000 1.137 668 E HN 0.171 nan 8.360 nan 0.000 0.397 669 S N 1.891 117.493 115.700 -0.164 0.000 2.537 669 S HA 0.158 4.628 4.470 -0.000 0.000 0.275 669 S C 0.337 174.939 174.600 0.003 0.000 1.272 669 S CA -0.572 57.668 58.200 0.067 0.000 1.050 669 S CB 0.314 63.636 63.200 0.202 0.000 0.961 669 S HN 0.358 nan 8.310 nan 0.000 0.496 670 L N 6.122 127.357 121.223 0.020 0.000 2.667 670 L HA 0.287 4.627 4.340 -0.000 0.000 0.232 670 L C 1.870 178.773 176.870 0.055 0.000 1.138 670 L CA 0.527 55.375 54.840 0.014 0.000 0.921 670 L CB -0.762 41.295 42.059 -0.003 0.000 1.180 670 L HN 0.602 nan 8.230 nan 0.000 0.487 671 V N -0.068 119.892 119.914 0.078 0.000 2.332 671 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 671 V C 2.144 178.315 176.094 0.128 0.000 1.055 671 V CA 1.605 63.983 62.300 0.130 0.000 1.038 671 V CB -0.411 31.488 31.823 0.126 0.000 0.651 671 V HN 0.374 nan 8.190 nan 0.000 0.450 672 R N -0.145 120.404 120.500 0.082 0.000 2.423 672 R HA 0.117 4.457 4.340 -0.000 0.000 0.248 672 R C 0.165 176.499 176.300 0.057 0.000 1.019 672 R CA 0.079 56.218 56.100 0.064 0.000 1.119 672 R CB 0.012 30.338 30.300 0.044 0.000 1.176 672 R HN 0.527 nan 8.270 nan 0.000 0.526 673 E N 0.223 120.464 120.200 0.069 0.000 2.212 673 E HA 0.300 4.650 4.350 -0.000 0.000 0.270 673 E C -2.503 174.142 176.600 0.076 0.000 0.956 673 E CA -2.572 53.862 56.400 0.056 0.000 0.825 673 E CB 1.042 30.767 29.700 0.041 0.000 1.167 673 E HN -0.121 nan 8.360 nan 0.000 0.400 674 P HA -0.024 nan 4.420 nan 0.000 0.269 674 P C 0.947 178.293 177.300 0.077 0.000 1.215 674 P CA -0.387 62.750 63.100 0.062 0.000 0.780 674 P CB 0.539 32.259 31.700 0.033 0.000 0.898 675 L N 2.931 124.215 121.223 0.102 0.000 2.043 675 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 675 L C 1.883 178.781 176.870 0.047 0.000 1.075 675 L CA 2.127 57.033 54.840 0.111 0.000 0.752 675 L CB -1.790 40.346 42.059 0.129 0.000 0.891 675 L HN 0.298 nan 8.230 nan 0.000 0.432 676 S N -0.069 115.646 115.700 0.025 0.000 2.392 676 S HA -0.294 4.176 4.470 -0.000 0.000 0.225 676 S C 2.061 176.657 174.600 -0.007 0.000 1.041 676 S CA 1.453 59.651 58.200 -0.002 0.000 1.100 676 S CB -0.635 62.561 63.200 -0.007 0.000 1.029 676 S HN 0.416 nan 8.310 nan 0.000 0.424 677 R N 1.586 122.088 120.500 0.003 0.000 2.096 677 R HA -0.015 4.325 4.340 -0.000 0.000 0.240 677 R C 2.443 178.740 176.300 -0.005 0.000 1.139 677 R CA 1.608 57.707 56.100 -0.001 0.000 0.952 677 R CB -0.826 29.477 30.300 0.007 0.000 0.854 677 R HN 0.426 nan 8.270 nan 0.000 0.436 678 R N -0.147 120.358 120.500 0.009 0.000 2.082 678 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 678 R C 2.495 178.773 176.300 -0.036 0.000 1.136 678 R CA 2.056 58.157 56.100 0.003 0.000 0.935 678 R CB -0.352 29.973 30.300 0.042 0.000 0.842 678 R HN 0.190 nan 8.270 nan 0.000 0.430 679 R N 0.776 121.247 120.500 -0.047 0.000 2.091 679 R HA -0.238 4.102 4.340 -0.000 0.000 0.238 679 R C 2.340 178.555 176.300 -0.141 0.000 1.136 679 R CA 2.180 58.212 56.100 -0.114 0.000 0.959 679 R CB -0.257 29.985 30.300 -0.097 0.000 0.856 679 R HN 0.337 nan 8.270 nan 0.000 0.437 680 Q N 0.599 120.349 119.800 -0.084 0.000 2.002 680 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 680 Q C 2.166 178.136 176.000 -0.051 0.000 0.988 680 Q CA 2.221 57.983 55.803 -0.068 0.000 0.843 680 Q CB -0.287 28.428 28.738 -0.039 0.000 0.908 680 Q HN 0.490 nan 8.270 nan 0.000 0.420 681 L N 0.511 121.718 121.223 -0.026 0.000 2.051 681 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 681 L C 2.583 179.482 176.870 0.049 0.000 1.076 681 L CA 1.070 55.916 54.840 0.009 0.000 0.758 681 L CB -0.711 41.356 42.059 0.013 0.000 0.890 681 L HN 0.398 nan 8.230 nan 0.000 0.433 682 L N -0.074 121.136 121.223 -0.022 0.000 1.994 682 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 682 L C 2.823 179.674 176.870 -0.032 0.000 1.071 682 L CA 1.764 56.572 54.840 -0.054 0.000 0.745 682 L CB -0.630 41.257 42.059 -0.287 0.000 0.892 682 L HN 0.163 nan 8.230 nan 0.000 0.431 683 R N -0.093 120.248 120.500 -0.266 0.000 2.092 683 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 683 R C 1.988 178.385 176.300 0.162 0.000 1.119 683 R CA 1.568 57.554 56.100 -0.190 0.000 0.970 683 R CB -0.804 29.372 30.300 -0.206 0.000 0.864 683 R HN 0.582 nan 8.270 nan 0.000 0.440 684 E N 0.442 120.691 120.200 0.082 0.000 2.338 684 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 684 E C 1.087 177.735 176.600 0.080 0.000 1.007 684 E CA 0.564 57.009 56.400 0.075 0.000 0.849 684 E CB 0.039 29.757 29.700 0.030 0.000 0.774 684 E HN 0.422 nan 8.360 nan 0.000 0.506 685 N N -0.744 118.038 118.700 0.137 0.000 2.166 685 N HA 0.101 4.841 4.740 -0.000 0.000 0.213 685 N C -0.392 174.984 175.510 -0.224 0.000 1.222 685 N CA 0.020 53.051 53.050 -0.032 0.000 0.900 685 N CB 0.767 39.213 38.487 -0.068 0.000 1.055 685 N HN -0.070 nan 8.380 nan 0.000 0.515 686 F N 0.611 120.646 119.950 0.142 0.000 2.572 686 F HA 0.491 5.018 4.527 -0.001 0.000 0.342 686 F C 0.320 176.207 175.800 0.146 0.000 1.064 686 F CA -1.147 56.953 58.000 0.167 0.000 1.008 686 F CB 1.347 40.562 39.000 0.359 0.000 1.303 686 F HN -0.366 nan 8.300 nan 0.000 0.492 687 V N 0.953 120.995 119.914 0.213 0.000 2.532 687 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 687 V C -0.928 175.181 176.094 0.024 0.000 1.036 687 V CA -0.510 61.807 62.300 0.028 0.000 0.876 687 V CB 1.223 33.021 31.823 -0.041 0.000 1.012 687 V HN 0.825 nan 8.190 nan 0.000 0.432 688 E N 4.124 124.230 120.200 -0.156 0.000 2.349 688 E HA 0.693 5.043 4.350 -0.000 0.000 0.265 688 E C -0.650 175.883 176.600 -0.113 0.000 1.064 688 E CA -0.653 55.639 56.400 -0.180 0.000 0.886 688 E CB 1.388 30.773 29.700 -0.525 0.000 1.036 688 E HN 0.740 nan 8.360 nan 0.000 0.413 689 T N -0.335 114.158 114.554 -0.101 0.000 2.928 689 T HA 0.178 4.527 4.350 -0.000 0.000 0.296 689 T C -0.374 174.222 174.700 -0.173 0.000 1.000 689 T CA -0.915 61.121 62.100 -0.107 0.000 0.989 689 T CB 1.474 70.301 68.868 -0.068 0.000 1.005 689 T HN 0.570 nan 8.240 nan 0.000 0.442 690 E N 1.431 121.540 120.200 -0.151 0.000 2.568 690 E HA 0.246 4.596 4.350 -0.000 0.000 0.262 690 E C 1.462 177.892 176.600 -0.283 0.000 0.961 690 E CA 1.375 57.664 56.400 -0.185 0.000 0.945 690 E CB -0.125 29.544 29.700 -0.052 0.000 0.924 690 E HN 1.084 nan 8.360 nan 0.000 0.467 691 G N 3.630 112.054 108.800 -0.627 0.000 2.205 691 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.269 691 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.269 691 G C 0.679 175.123 174.900 -0.760 0.000 0.977 691 G CA 1.049 45.429 45.100 -1.200 0.000 0.652 691 G HN 0.695 nan 8.290 nan 0.000 0.539 692 E N -1.748 118.183 120.200 -0.448 0.000 2.329 692 E HA 0.532 4.882 4.350 -0.000 0.000 0.189 692 E C 0.162 176.641 176.600 -0.201 0.000 0.997 692 E CA -0.060 56.195 56.400 -0.241 0.000 1.062 692 E CB 0.574 30.205 29.700 -0.115 0.000 1.260 692 E HN 0.479 nan 8.360 nan 0.000 0.490 693 F N 1.602 121.329 119.950 -0.371 0.000 2.585 693 F HA 0.453 4.980 4.527 -0.001 0.000 0.319 693 F C -1.470 174.067 175.800 -0.438 0.000 1.165 693 F CA -0.892 56.885 58.000 -0.373 0.000 0.949 693 F CB 1.613 40.469 39.000 -0.239 0.000 1.218 693 F HN -0.106 nan 8.300 nan 0.000 0.453 694 V N 2.919 122.229 119.914 -1.006 0.000 2.969 694 V HA 0.537 4.656 4.120 -0.000 0.000 0.304 694 V C -1.286 174.409 176.094 -0.663 0.000 1.192 694 V CA -1.237 60.562 62.300 -0.836 0.000 0.962 694 V CB 1.448 32.907 31.823 -0.608 0.000 1.045 694 V HN 0.774 nan 8.190 nan 0.000 0.428 695 F N 2.813 122.520 119.950 -0.404 0.000 2.518 695 F HA 0.597 5.124 4.527 -0.000 0.000 0.359 695 F C 1.456 177.205 175.800 -0.085 0.000 1.118 695 F CA 0.118 57.967 58.000 -0.252 0.000 1.287 695 F CB 0.987 39.901 39.000 -0.142 0.000 1.132 695 F HN 0.953 nan 8.300 nan 0.000 0.587 696 A N 2.076 125.027 122.820 0.219 0.000 2.498 696 A HA 0.205 4.524 4.320 -0.000 0.000 0.239 696 A C 0.414 178.153 177.584 0.259 0.000 1.068 696 A CA -0.336 51.889 52.037 0.314 0.000 0.766 696 A CB -0.053 19.160 19.000 0.355 0.000 1.003 696 A HN 0.782 nan 8.150 nan 0.000 0.497 697 T N 1.299 116.007 114.554 0.257 0.000 2.769 697 T HA 0.457 4.807 4.350 -0.000 0.000 0.293 697 T C 0.267 175.029 174.700 0.103 0.000 0.931 697 T CA 0.055 62.185 62.100 0.050 0.000 1.139 697 T CB -0.414 68.335 68.868 -0.198 0.000 0.881 697 T HN 0.752 nan 8.240 nan 0.000 0.532 698 S N 4.035 119.782 115.700 0.079 0.000 2.681 698 S HA 0.830 5.299 4.470 -0.000 0.000 0.299 698 S C -0.903 173.595 174.600 -0.170 0.000 1.113 698 S CA -1.131 57.094 58.200 0.042 0.000 1.013 698 S CB 1.605 64.806 63.200 0.002 0.000 1.076 698 S HN 0.799 nan 8.310 nan 0.000 0.534 699 L N 1.464 122.483 121.223 -0.341 0.000 2.505 699 L HA 0.554 4.894 4.340 -0.000 0.000 0.266 699 L C -2.103 174.574 176.870 -0.322 0.000 0.954 699 L CA -0.510 53.987 54.840 -0.571 0.000 0.852 699 L CB 1.930 43.120 42.059 -1.449 0.000 1.282 699 L HN 0.610 nan 8.230 nan 0.000 0.403 700 D N 3.680 123.926 120.400 -0.257 0.000 2.473 700 D HA 0.675 5.315 4.640 -0.000 0.000 0.226 700 D C -0.651 175.499 176.300 -0.250 0.000 1.089 700 D CA 0.232 54.097 54.000 -0.225 0.000 0.883 700 D CB 1.286 41.983 40.800 -0.171 0.000 1.029 700 D HN 0.640 nan 8.370 nan 0.000 0.517 701 T N -0.088 114.281 114.554 -0.308 0.000 2.787 701 T HA 0.440 4.789 4.350 -0.000 0.000 0.297 701 T C 0.463 174.929 174.700 -0.389 0.000 1.221 701 T CA -0.953 60.988 62.100 -0.265 0.000 1.006 701 T CB 2.166 70.946 68.868 -0.145 0.000 1.328 701 T HN 0.251 nan 8.240 nan 0.000 0.509 702 K N -0.053 120.230 120.400 -0.195 0.000 2.619 702 K HA 0.234 4.554 4.320 -0.000 0.000 0.201 702 K C -0.826 175.807 176.600 0.054 0.000 1.090 702 K CA -0.441 55.816 56.287 -0.050 0.000 1.063 702 K CB 0.705 33.172 32.500 -0.056 0.000 0.810 702 K HN 0.462 nan 8.250 nan 0.000 0.506 703 D N 1.556 121.972 120.400 0.025 0.000 2.280 703 D HA 0.121 4.761 4.640 -0.000 0.000 0.243 703 D C 1.004 177.342 176.300 0.063 0.000 1.129 703 D CA -0.364 53.656 54.000 0.032 0.000 0.848 703 D CB 1.048 41.850 40.800 0.003 0.000 1.107 703 D HN -0.031 nan 8.370 nan 0.000 0.471 704 I N 3.914 124.521 120.570 0.062 0.000 2.090 704 I HA -0.220 3.950 4.170 -0.000 0.000 0.236 704 I C 2.286 178.440 176.117 0.062 0.000 1.064 704 I CA 1.126 62.466 61.300 0.067 0.000 1.324 704 I CB -0.860 37.171 38.000 0.051 0.000 1.044 704 I HN 0.418 nan 8.210 nan 0.000 0.399 705 E N 0.513 120.742 120.200 0.047 0.000 2.070 705 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 705 E C 2.218 178.854 176.600 0.059 0.000 1.004 705 E CA 1.295 57.723 56.400 0.046 0.000 0.805 705 E CB -0.338 29.382 29.700 0.033 0.000 0.744 705 E HN 0.426 nan 8.360 nan 0.000 0.451 706 Q N -0.438 119.393 119.800 0.052 0.000 2.062 706 Q HA -0.216 4.124 4.340 -0.000 0.000 0.209 706 Q C 2.237 178.296 176.000 0.099 0.000 0.996 706 Q CA 1.573 57.407 55.803 0.052 0.000 0.859 706 Q CB -0.335 28.412 28.738 0.014 0.000 0.920 706 Q HN 0.280 nan 8.270 nan 0.000 0.415 707 I N 0.703 121.342 120.570 0.115 0.000 2.099 707 I HA -0.295 3.874 4.170 -0.000 0.000 0.239 707 I C 2.403 178.636 176.117 0.194 0.000 1.066 707 I CA 1.685 63.094 61.300 0.182 0.000 1.324 707 I CB -1.074 37.031 38.000 0.176 0.000 1.037 707 I HN 0.154 nan 8.210 nan 0.000 0.401 708 A N 0.014 122.907 122.820 0.122 0.000 1.927 708 A HA -0.338 3.982 4.320 -0.000 0.000 0.220 708 A C 2.404 180.049 177.584 0.101 0.000 1.185 708 A CA 2.989 55.080 52.037 0.089 0.000 0.639 708 A CB -1.413 17.620 19.000 0.055 0.000 0.820 708 A HN 0.495 nan 8.150 nan 0.000 0.451 709 E N -1.273 118.999 120.200 0.121 0.000 2.038 709 E HA -0.234 4.115 4.350 -0.000 0.000 0.195 709 E C 1.880 178.605 176.600 0.208 0.000 1.000 709 E CA 1.598 58.077 56.400 0.131 0.000 0.803 709 E CB -0.954 28.818 29.700 0.120 0.000 0.750 709 E HN 0.653 nan 8.360 nan 0.000 0.448 710 F N 0.816 120.813 119.950 0.077 0.000 2.065 710 F HA -0.153 4.373 4.527 -0.000 0.000 0.298 710 F C 2.346 178.226 175.800 0.133 0.000 1.112 710 F CA 1.853 59.934 58.000 0.135 0.000 1.212 710 F CB -0.754 38.324 39.000 0.130 0.000 0.975 710 F HN 0.260 nan 8.300 nan 0.000 0.476 711 L N 1.150 122.445 121.223 0.119 0.000 2.081 711 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 711 L C 2.360 179.154 176.870 -0.128 0.000 1.080 711 L CA 2.762 57.568 54.840 -0.056 0.000 0.754 711 L CB -1.675 40.384 42.059 -0.001 0.000 0.893 711 L HN 0.346 nan 8.230 nan 0.000 0.433 712 E N -1.020 119.149 120.200 -0.052 0.000 2.046 712 E HA -0.253 4.096 4.350 -0.000 0.000 0.190 712 E C 2.095 178.635 176.600 -0.101 0.000 0.982 712 E CA 1.070 57.428 56.400 -0.070 0.000 0.800 712 E CB -0.925 28.763 29.700 -0.020 0.000 0.756 712 E HN 0.627 nan 8.360 nan 0.000 0.449 713 Q N 0.962 120.738 119.800 -0.039 0.000 2.181 713 Q HA -0.152 4.187 4.340 -0.000 0.000 0.205 713 Q C 2.349 178.208 176.000 -0.234 0.000 0.980 713 Q CA 2.404 58.203 55.803 -0.007 0.000 0.862 713 Q CB -0.501 28.346 28.738 0.182 0.000 0.905 713 Q HN 0.622 nan 8.270 nan 0.000 0.429 714 S N -1.026 114.346 115.700 -0.546 0.000 2.356 714 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 714 S C 1.929 176.021 174.600 -0.846 0.000 1.032 714 S CA 1.533 58.896 58.200 -1.395 0.000 1.005 714 S CB -0.932 61.567 63.200 -1.168 0.000 0.867 714 S HN 0.454 nan 8.310 nan 0.000 0.449 715 V N 0.229 119.864 119.914 -0.466 0.000 2.809 715 V HA 0.201 4.321 4.120 -0.000 0.000 0.256 715 V C 2.129 178.082 176.094 -0.236 0.000 1.080 715 V CA 1.800 63.913 62.300 -0.311 0.000 1.102 715 V CB -0.868 30.832 31.823 -0.205 0.000 0.705 715 V HN 0.493 nan 8.190 nan 0.000 0.475 716 K N -0.142 120.128 120.400 -0.216 0.000 2.418 716 K HA 0.025 4.344 4.320 -0.000 0.000 0.195 716 K C 0.448 176.987 176.600 -0.101 0.000 1.035 716 K CA 0.947 57.161 56.287 -0.122 0.000 1.003 716 K CB 0.115 32.574 32.500 -0.070 0.000 0.793 716 K HN 0.576 nan 8.250 nan 0.000 0.494 717 D N -0.069 120.227 120.400 -0.172 0.000 2.593 717 D HA -0.012 4.627 4.640 -0.000 0.000 0.241 717 D C -0.716 175.502 176.300 -0.137 0.000 1.257 717 D CA 0.058 54.007 54.000 -0.085 0.000 0.828 717 D CB 0.836 41.656 40.800 0.034 0.000 1.049 717 D HN -0.061 nan 8.370 nan 0.000 0.490 718 S N 0.230 115.828 115.700 -0.171 0.000 3.578 718 S HA -0.206 4.264 4.470 -0.000 0.000 0.449 718 S C -0.481 173.966 174.600 -0.255 0.000 0.853 718 S CA -0.079 58.027 58.200 -0.156 0.000 1.348 718 S CB -1.789 61.380 63.200 -0.052 0.000 0.907 718 S HN 0.426 nan 8.310 nan 0.000 0.627 719 C N 3.816 122.896 119.300 -0.366 0.000 2.686 719 C HA 0.422 4.882 4.460 -0.000 0.000 0.318 719 C C 1.489 176.286 174.990 -0.321 0.000 1.160 719 C CA -0.821 57.932 59.018 -0.442 0.000 1.396 719 C CB 1.874 29.140 27.740 -0.791 0.000 1.924 719 C HN 0.843 nan 8.230 nan 0.000 0.471 720 E N 1.057 121.125 120.200 -0.220 0.000 2.208 720 E HA -0.105 4.245 4.350 -0.000 0.000 0.202 720 E C 1.341 177.835 176.600 -0.176 0.000 1.014 720 E CA 2.081 58.395 56.400 -0.143 0.000 0.819 720 E CB 0.140 29.785 29.700 -0.091 0.000 0.735 720 E HN 1.056 nan 8.360 nan 0.000 0.469 721 G N -0.442 108.200 108.800 -0.263 0.000 2.152 721 G HA2 0.081 4.041 3.960 -0.000 0.000 0.058 721 G HA3 0.081 4.041 3.960 -0.000 0.000 0.058 721 G C -0.897 173.843 174.900 -0.266 0.000 0.966 721 G CA -0.431 44.506 45.100 -0.272 0.000 1.149 721 G HN 0.049 nan 8.290 nan 0.000 0.402 725 K N 1.704 122.236 120.400 0.220 0.000 2.318 725 K HA 0.810 5.130 4.320 -0.000 0.000 0.249 725 K C 0.043 176.768 176.600 0.208 0.000 0.942 725 K CA -0.731 55.659 56.287 0.173 0.000 0.808 725 K CB 2.439 34.787 32.500 -0.253 0.000 1.189 725 K HN 0.876 nan 8.250 nan 0.000 0.428 726 T N -0.533 114.016 114.554 -0.009 0.000 2.910 726 T HA 0.250 4.600 4.350 -0.000 0.000 0.293 726 T C 1.004 175.704 174.700 0.000 0.000 1.015 726 T CA -0.628 61.383 62.100 -0.150 0.000 1.094 726 T CB 0.570 69.180 68.868 -0.429 0.000 0.968 726 T HN 0.382 nan 8.240 nan 0.000 0.521 727 L N 1.312 122.534 121.223 -0.001 0.000 2.145 727 L HA 0.216 4.556 4.340 -0.000 0.000 0.201 727 L C 1.814 178.689 176.870 0.008 0.000 1.075 727 L CA 1.071 55.916 54.840 0.009 0.000 0.773 727 L CB -0.329 41.723 42.059 -0.010 0.000 0.936 727 L HN 0.939 nan 8.230 nan 0.000 0.451 728 D N -3.010 117.383 120.400 -0.010 0.000 2.516 728 D HA 0.126 4.765 4.640 -0.000 0.000 0.241 728 D C -0.243 176.050 176.300 -0.012 0.000 1.246 728 D CA -0.017 53.981 54.000 -0.003 0.000 0.808 728 D CB 0.224 41.021 40.800 -0.005 0.000 1.147 728 D HN -0.082 nan 8.370 nan 0.000 0.527 729 V N 1.433 121.326 119.914 -0.034 0.000 2.398 729 V HA 0.276 4.396 4.120 -0.000 0.000 0.286 729 V C -0.204 175.858 176.094 -0.053 0.000 1.026 729 V CA -0.720 61.556 62.300 -0.040 0.000 0.868 729 V CB 1.278 33.072 31.823 -0.048 0.000 0.982 729 V HN 0.109 nan 8.190 nan 0.000 0.443 730 D N 4.071 124.456 120.400 -0.026 0.000 2.697 730 D HA -0.209 4.430 4.640 -0.000 0.000 0.235 730 D C 0.622 176.921 176.300 -0.002 0.000 1.167 730 D CA 1.339 55.328 54.000 -0.018 0.000 0.656 730 D CB -0.455 40.330 40.800 -0.026 0.000 1.025 730 D HN 0.884 nan 8.370 nan 0.000 0.419 731 A N -0.303 122.532 122.820 0.024 0.000 2.643 731 A HA 0.409 4.728 4.320 -0.000 0.000 0.295 731 A C 1.017 178.673 177.584 0.119 0.000 1.065 731 A CA 0.409 52.492 52.037 0.077 0.000 0.986 731 A CB 0.401 19.433 19.000 0.053 0.000 1.212 731 A HN 0.256 nan 8.150 nan 0.000 0.516 732 T N -4.078 110.531 114.554 0.092 0.000 2.888 732 T HA 0.445 4.794 4.350 -0.000 0.000 0.283 732 T C 0.160 174.950 174.700 0.150 0.000 1.013 732 T CA -0.298 61.877 62.100 0.126 0.000 0.938 732 T CB 0.594 69.512 68.868 0.083 0.000 1.298 732 T HN 0.150 nan 8.240 nan 0.000 0.580 733 Y N 0.535 120.862 120.300 0.044 0.000 2.801 733 Y HA 0.327 4.877 4.550 -0.001 0.000 0.318 733 Y C 0.211 176.098 175.900 -0.021 0.000 1.073 733 Y CA -0.688 57.422 58.100 0.017 0.000 1.360 733 Y CB -0.118 38.372 38.460 0.050 0.000 1.220 733 Y HN 0.617 nan 8.280 nan 0.000 0.536 734 E N 0.953 121.139 120.200 -0.022 0.000 1.998 734 E HA 0.107 4.457 4.350 -0.000 0.000 0.257 734 E C 0.795 177.325 176.600 -0.117 0.000 1.038 734 E CA -0.086 56.294 56.400 -0.034 0.000 0.869 734 E CB 0.559 30.256 29.700 -0.004 0.000 1.135 734 E HN 0.545 nan 8.360 nan 0.000 0.430 735 I N 1.821 122.294 120.570 -0.162 0.000 2.530 735 I HA -0.282 3.888 4.170 -0.000 0.000 0.257 735 I C 2.256 178.295 176.117 -0.130 0.000 1.179 735 I CA 1.075 62.247 61.300 -0.213 0.000 1.440 735 I CB -0.002 37.867 38.000 -0.218 0.000 1.087 735 I HN 0.500 nan 8.210 nan 0.000 0.440 736 A N 0.240 123.018 122.820 -0.070 0.000 2.119 736 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 736 A C 2.202 179.758 177.584 -0.046 0.000 1.153 736 A CA 1.207 53.220 52.037 -0.040 0.000 0.692 736 A CB -0.343 18.650 19.000 -0.012 0.000 0.799 736 A HN 0.430 nan 8.150 nan 0.000 0.458 737 K N -1.488 118.877 120.400 -0.058 0.000 2.202 737 K HA 0.161 4.481 4.320 -0.000 0.000 0.201 737 K C 0.800 177.365 176.600 -0.059 0.000 1.051 737 K CA 0.590 56.848 56.287 -0.048 0.000 0.977 737 K CB 0.371 32.847 32.500 -0.040 0.000 0.792 737 K HN 0.275 nan 8.250 nan 0.000 0.469 738 R N 0.893 121.336 120.500 -0.095 0.000 2.983 738 R HA 0.038 4.378 4.340 -0.000 0.000 0.290 738 R C 0.068 176.248 176.300 -0.201 0.000 1.327 738 R CA -0.018 56.020 56.100 -0.103 0.000 1.062 738 R CB 0.639 30.897 30.300 -0.070 0.000 1.307 738 R HN 0.129 nan 8.270 nan 0.000 0.389 739 S N 2.397 117.954 115.700 -0.237 0.000 2.335 739 S HA -0.094 4.376 4.470 -0.000 0.000 0.216 739 S C 0.798 175.097 174.600 -0.503 0.000 1.032 739 S CA 0.672 58.616 58.200 -0.425 0.000 1.000 739 S CB -0.352 62.541 63.200 -0.510 0.000 0.928 739 S HN 0.700 nan 8.310 nan 0.000 0.434 740 H N 2.002 120.988 119.070 -0.140 0.000 3.195 740 H HA 0.324 4.880 4.556 -0.001 0.000 0.241 740 H C 0.284 175.571 175.328 -0.069 0.000 1.823 740 H CA 0.034 56.034 56.048 -0.081 0.000 1.466 740 H CB -0.488 29.284 29.762 0.017 0.000 1.819 740 H HN 0.379 nan 8.280 nan 0.000 0.575 741 N N 1.409 120.027 118.700 -0.137 0.000 2.356 741 N HA -0.036 4.704 4.740 -0.000 0.000 0.178 741 N C -0.114 175.516 175.510 0.199 0.000 1.075 741 N CA 0.035 53.046 53.050 -0.065 0.000 0.889 741 N CB 0.581 38.913 38.487 -0.258 0.000 0.999 741 N HN 0.292 nan 8.380 nan 0.000 0.464 742 W N 0.978 122.350 121.300 0.120 0.000 2.436 742 W HA 0.494 5.153 4.660 -0.001 0.000 0.347 742 W C -0.233 176.369 176.519 0.139 0.000 1.136 742 W CA -0.841 56.595 57.345 0.151 0.000 1.286 742 W CB 0.032 29.554 29.460 0.103 0.000 1.253 742 W HN -0.228 nan 8.180 nan 0.000 0.617 743 L N 2.943 124.368 121.223 0.338 0.000 2.334 743 L HA 0.514 4.854 4.340 -0.000 0.000 0.273 743 L C 0.333 177.245 176.870 0.070 0.000 1.013 743 L CA -1.119 53.802 54.840 0.136 0.000 0.816 743 L CB 1.337 43.361 42.059 -0.058 0.000 1.278 743 L HN 0.212 nan 8.230 nan 0.000 0.431 744 K N 2.473 122.881 120.400 0.013 0.000 2.244 744 K HA 0.474 4.794 4.320 -0.000 0.000 0.260 744 K C -1.440 175.123 176.600 -0.063 0.000 0.951 744 K CA -0.770 55.503 56.287 -0.023 0.000 0.826 744 K CB 2.515 35.002 32.500 -0.021 0.000 1.108 744 K HN 0.268 nan 8.250 nan 0.000 0.433 745 L N 4.502 125.691 121.223 -0.058 0.000 2.259 745 L HA 0.227 4.567 4.340 -0.000 0.000 0.288 745 L C -0.130 176.705 176.870 -0.057 0.000 1.051 745 L CA -0.083 54.723 54.840 -0.057 0.000 0.824 745 L CB 0.668 42.703 42.059 -0.040 0.000 1.206 745 L HN 0.700 nan 8.230 nan 0.000 0.429 746 K N 4.464 124.834 120.400 -0.048 0.000 2.240 746 K HA 0.304 4.624 4.320 -0.000 0.000 0.271 746 K C 0.701 177.285 176.600 -0.027 0.000 1.018 746 K CA -0.617 55.645 56.287 -0.043 0.000 0.874 746 K CB 1.317 33.797 32.500 -0.033 0.000 1.098 746 K HN 0.569 nan 8.250 nan 0.000 0.458 747 K N 2.794 123.165 120.400 -0.049 0.000 2.081 747 K HA -0.366 3.953 4.320 -0.000 0.000 0.222 747 K C 0.278 176.863 176.600 -0.026 0.000 1.055 747 K CA 2.453 58.710 56.287 -0.051 0.000 0.954 747 K CB -0.984 31.476 32.500 -0.066 0.000 0.732 747 K HN 0.660 nan 8.250 nan 0.000 0.458 748 D N 0.199 120.599 120.400 0.000 0.000 2.070 748 D HA -0.285 4.355 4.640 -0.000 0.000 0.578 748 D C 1.747 178.071 176.300 0.039 0.000 0.816 748 D CA 2.576 56.599 54.000 0.038 0.000 1.627 748 D CB -0.848 39.999 40.800 0.080 0.000 0.753 748 D HN 0.418 nan 8.370 nan 0.000 0.354 749 Y N -1.111 119.165 120.300 -0.041 0.000 2.510 749 Y HA 0.220 4.770 4.550 -0.000 0.000 0.273 749 Y C 1.818 177.695 175.900 -0.038 0.000 1.119 749 Y CA -0.054 58.022 58.100 -0.039 0.000 1.286 749 Y CB 0.231 38.665 38.460 -0.044 0.000 1.061 749 Y HN -0.005 nan 8.280 nan 0.000 0.542 750 L N -0.125 121.125 121.223 0.045 0.000 2.376 750 L HA -0.101 4.239 4.340 -0.000 0.000 0.219 750 L C 1.656 178.495 176.870 -0.051 0.000 1.133 750 L CA 1.391 56.231 54.840 -0.000 0.000 0.816 750 L CB -0.619 41.439 42.059 -0.002 0.000 0.933 750 L HN 0.078 nan 8.230 nan 0.000 0.449 751 D N -0.622 119.730 120.400 -0.080 0.000 2.088 751 D HA -0.037 4.603 4.640 -0.000 0.000 0.196 751 D C 1.781 177.970 176.300 -0.184 0.000 0.983 751 D CA 2.071 56.002 54.000 -0.114 0.000 0.846 751 D CB 0.102 40.833 40.800 -0.114 0.000 0.992 751 D HN 0.383 nan 8.370 nan 0.000 0.448 752 G N -2.221 106.370 108.800 -0.348 0.000 3.611 752 G HA2 0.000 3.960 3.960 -0.000 0.000 0.217 752 G HA3 0.000 3.960 3.960 -0.000 0.000 0.217 752 G C -0.655 173.657 174.900 -0.979 0.000 1.023 752 G CA 0.202 44.960 45.100 -0.570 0.000 0.887 752 G HN 0.725 nan 8.290 nan 0.000 0.420 753 V N -0.764 118.830 119.914 -0.533 0.000 2.874 753 V HA 0.686 4.805 4.120 -0.000 0.000 0.269 753 V C 0.647 176.661 176.094 -0.133 0.000 1.359 753 V CA -0.339 61.755 62.300 -0.344 0.000 0.927 753 V CB 0.321 32.008 31.823 -0.227 0.000 1.101 753 V HN 1.231 nan 8.190 nan 0.000 0.469 754 G N 1.921 110.690 108.800 -0.053 0.000 2.447 754 G HA2 0.308 4.267 3.960 -0.000 0.000 0.269 754 G HA3 0.308 4.267 3.960 -0.000 0.000 0.269 754 G C -0.273 174.624 174.900 -0.006 0.000 1.455 754 G CA -0.209 44.879 45.100 -0.021 0.000 1.061 754 G HN 0.785 nan 8.290 nan 0.000 0.545 755 D N 0.285 120.690 120.400 0.009 0.000 2.472 755 D HA 0.350 4.989 4.640 -0.000 0.000 0.248 755 D C 0.490 176.805 176.300 0.025 0.000 1.174 755 D CA 0.899 54.909 54.000 0.017 0.000 0.883 755 D CB 0.803 41.619 40.800 0.027 0.000 1.149 755 D HN 0.403 nan 8.370 nan 0.000 0.488 756 T N 2.432 116.997 114.554 0.019 0.000 2.991 756 T HA 0.604 4.953 4.350 -0.000 0.000 0.303 756 T C -0.820 173.895 174.700 0.024 0.000 1.015 756 T CA -0.860 61.254 62.100 0.023 0.000 1.007 756 T CB 0.358 69.235 68.868 0.016 0.000 1.034 756 T HN 0.216 nan 8.240 nan 0.000 0.446 757 L N 2.549 123.792 121.223 0.034 0.000 2.301 757 L HA 0.735 5.074 4.340 -0.000 0.000 0.264 757 L C -0.634 176.266 176.870 0.050 0.000 1.016 757 L CA -1.336 53.528 54.840 0.040 0.000 0.821 757 L CB 1.827 43.913 42.059 0.045 0.000 1.346 757 L HN 0.565 nan 8.230 nan 0.000 0.429 758 D N 2.398 122.829 120.400 0.051 0.000 2.381 758 D HA 0.640 5.279 4.640 -0.000 0.000 0.235 758 D C -0.632 175.710 176.300 0.069 0.000 1.068 758 D CA -0.088 53.952 54.000 0.066 0.000 0.832 758 D CB 2.357 43.185 40.800 0.048 0.000 1.101 758 D HN 0.272 nan 8.370 nan 0.000 0.515 759 L N 0.562 121.838 121.223 0.088 0.000 2.301 759 L HA 0.609 4.949 4.340 -0.000 0.000 0.264 759 L C -0.204 176.665 176.870 -0.002 0.000 1.016 759 L CA -1.357 53.518 54.840 0.059 0.000 0.821 759 L CB 1.958 44.060 42.059 0.072 0.000 1.346 759 L HN -0.047 nan 8.230 nan 0.000 0.429 760 V N 1.331 121.231 119.914 -0.024 0.000 2.427 760 V HA 0.274 4.394 4.120 -0.000 0.000 0.286 760 V C 0.077 176.070 176.094 -0.169 0.000 1.034 760 V CA -0.776 61.468 62.300 -0.093 0.000 0.893 760 V CB 1.758 33.578 31.823 -0.005 0.000 0.982 760 V HN 0.394 nan 8.190 nan 0.000 0.452 761 V N 6.555 126.246 119.914 -0.371 0.000 2.439 761 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 761 V C 1.110 177.099 176.094 -0.176 0.000 1.040 761 V CA 0.305 62.350 62.300 -0.425 0.000 1.002 761 V CB 0.631 31.939 31.823 -0.859 0.000 1.000 761 V HN 0.890 nan 8.190 nan 0.000 0.477 762 I N 1.784 122.322 120.570 -0.054 0.000 4.082 762 I HA 0.692 4.862 4.170 -0.000 0.000 0.337 762 I C 0.656 176.825 176.117 0.087 0.000 1.352 762 I CA 0.139 61.473 61.300 0.056 0.000 1.097 762 I CB 0.792 38.869 38.000 0.128 0.000 1.048 762 I HN 0.631 nan 8.210 nan 0.000 0.393 763 G N 1.254 110.018 108.800 -0.060 0.000 2.596 763 G HA2 0.606 4.565 3.960 -0.000 0.000 0.296 763 G HA3 0.606 4.565 3.960 -0.000 0.000 0.296 763 G C -1.468 173.201 174.900 -0.385 0.000 1.513 763 G CA -0.119 44.840 45.100 -0.235 0.000 0.851 763 G HN 0.330 nan 8.290 nan 0.000 0.548 764 A N 0.221 122.718 122.820 -0.538 0.000 2.264 764 A HA 0.898 5.218 4.320 -0.000 0.000 0.304 764 A C -1.183 175.736 177.584 -1.108 0.000 1.100 764 A CA -0.495 51.000 52.037 -0.903 0.000 0.839 764 A CB 0.659 18.730 19.000 -1.549 0.000 1.121 764 A HN 0.807 nan 8.150 nan 0.000 0.496 765 Y N -0.222 119.667 120.300 -0.684 0.000 2.409 765 Y HA 0.447 4.997 4.550 -0.001 0.000 0.343 765 Y C 0.045 175.694 175.900 -0.419 0.000 0.973 765 Y CA -0.620 57.195 58.100 -0.475 0.000 1.064 765 Y CB 1.537 39.811 38.460 -0.309 0.000 1.207 765 Y HN 0.520 nan 8.280 nan 0.000 0.452 766 L N 3.224 124.343 121.223 -0.174 0.000 2.525 766 L HA 0.207 4.547 4.340 -0.000 0.000 0.278 766 L C 0.993 177.853 176.870 -0.018 0.000 1.218 766 L CA 0.205 55.009 54.840 -0.061 0.000 0.878 766 L CB 0.079 42.094 42.059 -0.073 0.000 1.127 766 L HN 0.865 nan 8.230 nan 0.000 0.492 767 G N 2.971 111.775 108.800 0.007 0.000 2.477 767 G HA2 0.725 4.684 3.960 -0.000 0.000 0.304 767 G HA3 0.725 4.684 3.960 -0.000 0.000 0.304 767 G C -0.593 174.301 174.900 -0.009 0.000 1.175 767 G CA -0.709 44.392 45.100 0.001 0.000 0.907 767 G HN 0.681 nan 8.290 nan 0.000 0.509 768 R N -0.722 119.775 120.500 -0.005 0.000 2.836 768 R HA 0.753 5.093 4.340 -0.000 0.000 0.269 768 R C 0.820 177.118 176.300 -0.004 0.000 1.010 768 R CA -0.248 55.847 56.100 -0.008 0.000 0.930 768 R CB 1.202 31.496 30.300 -0.009 0.000 1.218 768 R HN 1.154 nan 8.270 nan 0.000 0.473 769 G N 1.497 110.293 108.800 -0.006 0.000 2.686 769 G HA2 -0.438 3.521 3.960 -0.000 0.000 0.329 769 G HA3 -0.438 3.521 3.960 -0.000 0.000 0.329 769 G C 0.748 175.645 174.900 -0.005 0.000 1.187 769 G CA 0.842 45.940 45.100 -0.004 0.000 0.965 769 G HN 0.597 nan 8.290 nan 0.000 0.549 770 K N 0.331 120.731 120.400 -0.000 0.000 2.001 770 K HA 0.008 4.328 4.320 -0.000 0.000 0.208 770 K C 2.341 178.941 176.600 -0.001 0.000 1.048 770 K CA 1.293 57.580 56.287 0.000 0.000 0.932 770 K CB -0.219 32.285 32.500 0.007 0.000 0.715 770 K HN 0.256 nan 8.250 nan 0.000 0.437 771 R N 1.241 121.748 120.500 0.010 0.000 2.341 771 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 771 R C 0.611 176.898 176.300 -0.022 0.000 1.082 771 R CA 0.222 56.328 56.100 0.010 0.000 1.017 771 R CB -1.395 28.928 30.300 0.038 0.000 0.860 771 R HN 0.245 nan 8.270 nan 0.000 0.473 772 A N 0.228 123.034 122.820 -0.024 0.000 2.587 772 A HA 0.306 4.626 4.320 -0.000 0.000 0.235 772 A C 1.480 179.025 177.584 -0.065 0.000 1.044 772 A CA 1.056 53.072 52.037 -0.035 0.000 0.754 772 A CB -0.296 18.688 19.000 -0.027 0.000 0.968 772 A HN 0.545 nan 8.150 nan 0.000 0.509 773 G N 1.743 110.500 108.800 -0.072 0.000 2.212 773 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.266 773 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.266 773 G C 0.457 175.215 174.900 -0.237 0.000 0.978 773 G CA 1.036 46.072 45.100 -0.105 0.000 0.632 773 G HN 1.415 nan 8.290 nan 0.000 0.537 774 R N -1.021 119.312 120.500 -0.277 0.000 3.307 774 R HA 0.666 5.006 4.340 -0.000 0.000 0.227 774 R C -0.199 175.989 176.300 -0.188 0.000 1.645 774 R CA -1.092 54.665 56.100 -0.572 0.000 1.015 774 R CB 0.627 30.598 30.300 -0.547 0.000 1.832 774 R HN 0.196 nan 8.270 nan 0.000 0.533 775 Y N -0.479 119.727 120.300 -0.157 0.000 2.304 775 Y HA 0.236 4.786 4.550 -0.000 0.000 0.328 775 Y C 1.541 177.337 175.900 -0.174 0.000 1.123 775 Y CA -0.496 57.504 58.100 -0.167 0.000 1.218 775 Y CB 1.653 39.979 38.460 -0.222 0.000 1.207 775 Y HN 0.866 nan 8.280 nan 0.000 0.495 776 G N 1.569 110.368 108.800 -0.002 0.000 2.662 776 G HA2 0.384 4.344 3.960 -0.000 0.000 0.212 776 G HA3 0.384 4.344 3.960 -0.000 0.000 0.212 776 G C 0.346 175.258 174.900 0.019 0.000 1.141 776 G CA 0.567 45.680 45.100 0.021 0.000 0.797 776 G HN 0.888 nan 8.290 nan 0.000 0.531 777 G N -1.462 107.197 108.800 -0.234 0.000 2.466 777 G HA2 0.510 4.470 3.960 -0.000 0.000 0.291 777 G HA3 0.510 4.470 3.960 -0.000 0.000 0.291 777 G C -1.862 172.780 174.900 -0.430 0.000 1.460 777 G CA -0.930 44.103 45.100 -0.112 0.000 0.791 777 G HN 0.018 nan 8.290 nan 0.000 0.505 778 F N -1.159 119.032 119.950 0.402 0.000 2.640 778 F HA 0.779 5.305 4.527 -0.001 0.000 0.324 778 F C -0.440 175.544 175.800 0.307 0.000 1.077 778 F CA -1.037 57.101 58.000 0.231 0.000 0.965 778 F CB 2.398 41.487 39.000 0.149 0.000 1.351 778 F HN 0.441 nan 8.300 nan 0.000 0.487 779 L N 2.744 124.140 121.223 0.289 0.000 2.325 779 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 779 L C -1.401 175.546 176.870 0.129 0.000 1.004 779 L CA -0.321 54.658 54.840 0.233 0.000 0.823 779 L CB 1.031 43.138 42.059 0.080 0.000 1.236 779 L HN 0.440 nan 8.230 nan 0.000 0.415 780 L N 4.718 126.013 121.223 0.120 0.000 2.334 780 L HA 0.912 5.251 4.340 -0.000 0.000 0.276 780 L C -0.229 176.661 176.870 0.032 0.000 1.014 780 L CA -0.775 54.097 54.840 0.054 0.000 0.815 780 L CB 1.801 43.910 42.059 0.084 0.000 1.268 780 L HN 0.732 nan 8.230 nan 0.000 0.428 781 A N 1.478 124.317 122.820 0.033 0.000 2.386 781 A HA 0.733 5.052 4.320 -0.000 0.000 0.311 781 A C -0.107 177.509 177.584 0.053 0.000 1.068 781 A CA -0.488 51.577 52.037 0.047 0.000 0.743 781 A CB 1.729 20.775 19.000 0.076 0.000 1.258 781 A HN 0.751 nan 8.150 nan 0.000 0.429 782 S N 0.722 116.452 115.700 0.051 0.000 2.652 782 S HA 0.535 5.005 4.470 -0.000 0.000 0.267 782 S C -0.397 174.281 174.600 0.130 0.000 1.201 782 S CA -0.170 58.078 58.200 0.080 0.000 0.996 782 S CB 0.370 63.603 63.200 0.055 0.000 1.054 782 S HN 1.088 nan 8.310 nan 0.000 0.561 783 Y N 0.476 120.787 120.300 0.019 0.000 2.345 783 Y HA 0.454 5.004 4.550 -0.000 0.000 0.331 783 Y C -0.931 174.979 175.900 0.016 0.000 0.959 783 Y CA -0.828 57.284 58.100 0.019 0.000 1.204 783 Y CB 1.028 39.492 38.460 0.008 0.000 1.135 783 Y HN 0.813 nan 8.280 nan 0.000 0.477 784 D N 4.595 124.727 120.400 -0.446 0.000 2.280 784 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 784 D C 0.769 176.657 176.300 -0.686 0.000 1.129 784 D CA -0.137 53.649 54.000 -0.357 0.000 0.848 784 D CB 1.040 41.715 40.800 -0.209 0.000 1.107 784 D HN 0.745 nan 8.370 nan 0.000 0.471 785 E N 2.923 122.929 120.200 -0.324 0.000 2.276 785 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 785 E C 0.252 176.806 176.600 -0.076 0.000 0.983 785 E CA 0.432 56.741 56.400 -0.151 0.000 0.861 785 E CB 0.101 30.005 29.700 0.340 0.000 0.817 785 E HN 0.559 nan 8.360 nan 0.000 0.485 786 D N 1.989 122.352 120.400 -0.062 0.000 2.178 786 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 786 D C 1.869 178.135 176.300 -0.055 0.000 0.974 786 D CA 1.722 55.700 54.000 -0.036 0.000 0.841 786 D CB 0.163 40.950 40.800 -0.022 0.000 0.953 786 D HN 0.317 nan 8.370 nan 0.000 0.478 787 S N -0.203 115.440 115.700 -0.096 0.000 2.517 787 S HA 0.008 4.478 4.470 -0.000 0.000 0.214 787 S C 0.736 175.268 174.600 -0.114 0.000 0.991 787 S CA -0.141 58.006 58.200 -0.088 0.000 0.906 787 S CB 0.269 63.418 63.200 -0.084 0.000 0.789 787 S HN 0.142 nan 8.310 nan 0.000 0.513 788 E N 1.186 121.270 120.200 -0.194 0.000 2.360 788 E HA -0.207 4.143 4.350 -0.000 0.000 0.238 788 E C -0.844 175.629 176.600 -0.211 0.000 1.186 788 E CA 0.958 57.225 56.400 -0.222 0.000 0.719 788 E CB -1.440 28.223 29.700 -0.063 0.000 1.236 788 E HN 0.944 nan 8.360 nan 0.000 0.386 789 E N -0.596 119.441 120.200 -0.272 0.000 2.340 789 E HA 0.556 4.906 4.350 -0.000 0.000 0.273 789 E C -0.531 176.007 176.600 -0.104 0.000 0.891 789 E CA -0.988 55.374 56.400 -0.063 0.000 0.757 789 E CB 1.240 30.940 29.700 -0.000 0.000 1.231 789 E HN 0.002 nan 8.360 nan 0.000 0.439 790 L N 2.463 123.744 121.223 0.096 0.000 2.385 790 L HA 0.155 4.495 4.340 -0.000 0.000 0.281 790 L C -0.100 176.804 176.870 0.057 0.000 1.106 790 L CA -0.097 54.801 54.840 0.097 0.000 0.856 790 L CB 0.159 42.332 42.059 0.189 0.000 1.186 790 L HN 0.417 nan 8.230 nan 0.000 0.453 791 Q N 3.200 123.019 119.800 0.031 0.000 2.322 791 Q HA 0.436 4.776 4.340 -0.000 0.000 0.256 791 Q C 0.155 176.196 176.000 0.067 0.000 0.960 791 Q CA -0.636 55.194 55.803 0.044 0.000 0.934 791 Q CB 1.631 30.382 28.738 0.022 0.000 1.200 791 Q HN 0.745 nan 8.270 nan 0.000 0.435 792 A N 3.395 126.283 122.820 0.113 0.000 2.566 792 A HA -0.064 4.256 4.320 -0.000 0.000 0.245 792 A C 0.517 178.122 177.584 0.036 0.000 1.056 792 A CA 0.052 52.167 52.037 0.130 0.000 0.757 792 A CB 0.094 19.245 19.000 0.251 0.000 0.979 792 A HN 0.823 nan 8.150 nan 0.000 0.508 793 I N 1.897 122.373 120.570 -0.157 0.000 2.947 793 I HA 0.175 4.345 4.170 -0.000 0.000 0.263 793 I C 0.758 176.338 176.117 -0.894 0.000 1.130 793 I CA 1.383 62.480 61.300 -0.338 0.000 1.448 793 I CB -0.030 37.885 38.000 -0.142 0.000 1.222 793 I HN 1.009 nan 8.210 nan 0.000 0.453 794 C N -0.859 118.042 119.300 -0.666 0.000 3.216 794 C HA 0.432 4.892 4.460 -0.000 0.000 0.346 794 C C -0.780 174.180 174.990 -0.050 0.000 1.384 794 C CA -1.378 57.300 59.018 -0.565 0.000 1.208 794 C CB 0.941 28.523 27.740 -0.264 0.000 1.483 794 C HN 0.200 nan 8.230 nan 0.000 0.453 795 K N 0.196 120.668 120.400 0.119 0.000 2.095 795 K HA 0.798 5.118 4.320 -0.000 0.000 0.252 795 K C -1.326 175.432 176.600 0.264 0.000 0.977 795 K CA -0.495 55.931 56.287 0.232 0.000 0.900 795 K CB 1.780 34.385 32.500 0.175 0.000 1.060 795 K HN 0.664 nan 8.250 nan 0.000 0.449 796 L N 0.028 121.490 121.223 0.398 0.000 2.439 796 L HA 0.447 4.786 4.340 -0.000 0.000 0.270 796 L C -0.005 177.259 176.870 0.656 0.000 0.972 796 L CA 0.233 55.377 54.840 0.507 0.000 0.836 796 L CB 1.746 44.190 42.059 0.642 0.000 1.255 796 L HN 0.795 nan 8.230 nan 0.000 0.404 797 G N 1.619 110.710 108.800 0.486 0.000 3.651 797 G HA2 0.333 4.292 3.960 -0.000 0.000 0.267 797 G HA3 0.333 4.292 3.960 -0.000 0.000 0.267 797 G C -0.028 174.999 174.900 0.211 0.000 1.009 797 G CA 0.598 45.986 45.100 0.481 0.000 0.866 797 G HN 0.594 nan 8.290 nan 0.000 0.488 798 T N -2.387 111.990 114.554 -0.295 0.000 2.739 798 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 798 T C 0.819 174.932 174.700 -0.977 0.000 1.389 798 T CA 0.830 62.473 62.100 -0.761 0.000 1.001 798 T CB 1.015 69.735 68.868 -0.246 0.000 1.436 798 T HN 1.196 nan 8.240 nan 0.000 0.500 799 G N 0.793 109.190 108.800 -0.671 0.000 2.313 799 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 799 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 799 G C -0.027 174.807 174.900 -0.110 0.000 1.023 799 G CA 0.084 45.031 45.100 -0.256 0.000 0.626 799 G HN 0.912 nan 8.290 nan 0.000 0.503 800 F N 2.902 122.843 119.950 -0.015 0.000 2.375 800 F HA 0.719 5.246 4.527 -0.001 0.000 0.333 800 F C 1.033 176.751 175.800 -0.137 0.000 1.104 800 F CA -0.575 57.258 58.000 -0.280 0.000 1.149 800 F CB 0.844 39.489 39.000 -0.592 0.000 1.190 800 F HN 0.293 nan 8.300 nan 0.000 0.533 801 S N 0.027 115.749 115.700 0.036 0.000 2.645 801 S HA 0.165 4.635 4.470 -0.000 0.000 0.266 801 S C 0.480 175.087 174.600 0.012 0.000 1.258 801 S CA -0.521 57.685 58.200 0.010 0.000 0.990 801 S CB 1.050 64.241 63.200 -0.015 0.000 0.967 801 S HN 0.638 nan 8.310 nan 0.000 0.556 802 D N 0.923 121.326 120.400 0.006 0.000 2.103 802 D HA -0.123 4.516 4.640 -0.000 0.000 0.190 802 D C 1.816 178.095 176.300 -0.035 0.000 0.997 802 D CA 2.010 56.009 54.000 -0.001 0.000 0.833 802 D CB -0.570 40.226 40.800 -0.005 0.000 0.961 802 D HN 0.849 nan 8.370 nan 0.000 0.447 803 E N 0.428 120.601 120.200 -0.044 0.000 2.048 803 E HA -0.255 4.094 4.350 -0.000 0.000 0.202 803 E C 1.994 178.523 176.600 -0.118 0.000 1.021 803 E CA 1.528 57.892 56.400 -0.061 0.000 0.825 803 E CB 0.008 29.678 29.700 -0.050 0.000 0.756 803 E HN 0.316 nan 8.360 nan 0.000 0.454 804 E N -0.254 119.847 120.200 -0.165 0.000 2.086 804 E HA -0.255 4.095 4.350 -0.000 0.000 0.200 804 E C 2.124 178.409 176.600 -0.524 0.000 1.012 804 E CA 1.164 57.350 56.400 -0.356 0.000 0.812 804 E CB -0.137 29.357 29.700 -0.343 0.000 0.743 804 E HN 0.164 nan 8.360 nan 0.000 0.453 805 L N 1.161 122.205 121.223 -0.298 0.000 1.994 805 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 805 L C 2.350 179.182 176.870 -0.063 0.000 1.071 805 L CA 1.931 56.656 54.840 -0.192 0.000 0.745 805 L CB -0.601 41.431 42.059 -0.044 0.000 0.892 805 L HN 0.036 nan 8.230 nan 0.000 0.431 806 E N -0.154 120.014 120.200 -0.053 0.000 2.118 806 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 806 E C 2.125 178.741 176.600 0.027 0.000 0.992 806 E CA 1.801 58.200 56.400 -0.003 0.000 0.804 806 E CB -0.117 29.572 29.700 -0.019 0.000 0.741 806 E HN 0.557 nan 8.360 nan 0.000 0.458 807 E N -0.055 120.125 120.200 -0.033 0.000 2.077 807 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 807 E C 1.935 178.588 176.600 0.089 0.000 0.989 807 E CA 1.781 58.177 56.400 -0.007 0.000 0.800 807 E CB -1.098 28.562 29.700 -0.067 0.000 0.746 807 E HN 0.703 nan 8.360 nan 0.000 0.452 808 H N -1.774 117.295 119.070 -0.001 0.000 2.353 808 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 808 H C 2.411 177.810 175.328 0.118 0.000 1.090 808 H CA 1.198 57.279 56.048 0.055 0.000 1.327 808 H CB 0.028 29.773 29.762 -0.029 0.000 1.383 808 H HN 0.629 nan 8.280 nan 0.000 0.508 809 H N 0.564 119.700 119.070 0.111 0.000 2.422 809 H HA -0.130 4.426 4.556 -0.001 0.000 0.298 809 H C 2.082 177.364 175.328 -0.076 0.000 1.098 809 H CA 1.341 57.323 56.048 -0.109 0.000 1.315 809 H CB 0.254 29.869 29.762 -0.244 0.000 1.382 809 H HN 0.193 nan 8.280 nan 0.000 0.523 810 Q N 0.071 119.816 119.800 -0.092 0.000 1.969 810 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 810 Q C 2.809 178.763 176.000 -0.077 0.000 0.978 810 Q CA 1.873 57.604 55.803 -0.119 0.000 0.830 810 Q CB -0.751 27.979 28.738 -0.014 0.000 0.896 810 Q HN 0.620 nan 8.270 nan 0.000 0.431 811 S N 0.869 116.579 115.700 0.015 0.000 2.351 811 S HA -0.164 4.305 4.470 -0.000 0.000 0.220 811 S C 2.054 176.679 174.600 0.042 0.000 1.035 811 S CA 1.527 59.752 58.200 0.041 0.000 1.031 811 S CB -0.972 62.281 63.200 0.089 0.000 0.928 811 S HN 0.354 nan 8.310 nan 0.000 0.433 812 L N 1.324 122.598 121.223 0.085 0.000 2.187 812 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 812 L C 2.883 179.836 176.870 0.139 0.000 1.100 812 L CA 1.336 56.258 54.840 0.138 0.000 0.765 812 L CB -0.715 41.520 42.059 0.293 0.000 0.904 812 L HN 0.331 nan 8.230 nan 0.000 0.437 813 K N 0.597 121.012 120.400 0.026 0.000 2.020 813 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 813 K C 2.225 178.836 176.600 0.019 0.000 1.050 813 K CA 1.805 58.080 56.287 -0.019 0.000 0.929 813 K CB -0.246 32.118 32.500 -0.228 0.000 0.714 813 K HN 0.338 nan 8.250 nan 0.000 0.443 814 A N 0.884 123.704 122.820 0.000 0.000 1.948 814 A HA -0.166 4.153 4.320 -0.000 0.000 0.220 814 A C 1.768 179.363 177.584 0.017 0.000 1.177 814 A CA 1.401 53.442 52.037 0.005 0.000 0.636 814 A CB -0.362 18.641 19.000 0.005 0.000 0.815 814 A HN 0.207 nan 8.150 nan 0.000 0.449 815 L N 0.011 121.254 121.223 0.035 0.000 2.610 815 L HA 0.063 4.402 4.340 -0.000 0.000 0.232 815 L C 1.044 177.938 176.870 0.039 0.000 1.149 815 L CA 0.231 55.091 54.840 0.035 0.000 0.872 815 L CB -1.099 40.981 42.059 0.036 0.000 0.992 815 L HN 0.351 nan 8.230 nan 0.000 0.447 816 V N -0.354 119.581 119.914 0.035 0.000 2.485 816 V HA 0.231 4.351 4.120 -0.000 0.000 0.287 816 V C 0.036 176.123 176.094 -0.012 0.000 1.022 816 V CA -0.503 61.800 62.300 0.006 0.000 1.067 816 V CB -0.071 31.705 31.823 -0.079 0.000 0.967 816 V HN 0.114 nan 8.190 nan 0.000 0.479 817 L N 5.530 126.770 121.223 0.028 0.000 2.334 817 L HA 0.583 4.923 4.340 -0.000 0.000 0.273 817 L C -1.652 175.248 176.870 0.049 0.000 1.013 817 L CA -1.802 53.050 54.840 0.019 0.000 0.816 817 L CB 1.690 43.753 42.059 0.005 0.000 1.278 817 L HN 0.309 nan 8.230 nan 0.000 0.431 818 P HA -0.022 nan 4.420 nan 0.000 0.229 818 P C -0.031 177.305 177.300 0.060 0.000 1.160 818 P CA 0.529 63.650 63.100 0.036 0.000 0.777 818 P CB 0.287 31.988 31.700 0.001 0.000 0.814 819 S N -2.818 112.864 115.700 -0.030 0.000 2.704 819 S HA 0.751 5.221 4.470 -0.000 0.000 0.296 819 S C -3.105 171.187 174.600 -0.514 0.000 1.138 819 S CA -2.007 56.077 58.200 -0.193 0.000 0.875 819 S CB 1.433 64.524 63.200 -0.181 0.000 1.151 819 S HN -0.280 nan 8.310 nan 0.000 0.500 820 P HA 0.424 nan 4.420 nan 0.000 0.276 820 P C -0.693 176.241 177.300 -0.611 0.000 1.252 820 P CA -0.716 61.729 63.100 -1.091 0.000 0.802 820 P CB 0.447 31.304 31.700 -1.405 0.000 1.035 821 R N 1.938 122.059 120.500 -0.631 0.000 2.531 821 R HA 0.183 4.523 4.340 -0.000 0.000 0.273 821 R C -1.441 174.504 176.300 -0.592 0.000 1.070 821 R CA -1.766 53.944 56.100 -0.649 0.000 1.112 821 R CB -0.617 28.960 30.300 -1.204 0.000 1.049 821 R HN 0.411 nan 8.270 nan 0.000 0.508 822 P HA -0.134 nan 4.420 nan 0.000 0.220 822 P C 0.744 177.968 177.300 -0.126 0.000 1.148 822 P CA 1.530 64.524 63.100 -0.177 0.000 0.803 822 P CB -0.068 31.613 31.700 -0.030 0.000 0.782 823 Y N -1.546 118.700 120.300 -0.090 0.000 2.511 823 Y HA 0.288 4.838 4.550 -0.001 0.000 0.279 823 Y C 0.809 176.662 175.900 -0.078 0.000 1.157 823 Y CA -0.707 57.348 58.100 -0.075 0.000 1.300 823 Y CB -1.166 37.264 38.460 -0.050 0.000 1.052 823 Y HN -0.365 nan 8.280 nan 0.000 0.529 824 V N 3.053 122.759 119.914 -0.348 0.000 2.583 824 V HA 0.252 4.371 4.120 -0.000 0.000 0.287 824 V C 0.152 176.171 176.094 -0.126 0.000 1.051 824 V CA -0.636 61.535 62.300 -0.214 0.000 1.010 824 V CB 1.177 32.807 31.823 -0.322 0.000 0.988 824 V HN 0.325 nan 8.190 nan 0.000 0.478 825 R N 3.765 124.254 120.500 -0.018 0.000 2.472 825 R HA 0.510 4.850 4.340 -0.000 0.000 0.294 825 R C -1.587 174.768 176.300 0.091 0.000 1.243 825 R CA -0.584 55.527 56.100 0.017 0.000 1.023 825 R CB 1.184 31.491 30.300 0.013 0.000 1.157 825 R HN 0.589 nan 8.270 nan 0.000 0.530 826 I N 2.947 123.599 120.570 0.136 0.000 2.437 826 I HA 0.283 4.453 4.170 -0.000 0.000 0.298 826 I C -0.819 175.370 176.117 0.121 0.000 0.984 826 I CA -0.300 61.115 61.300 0.192 0.000 1.214 826 I CB 1.904 40.087 38.000 0.306 0.000 1.365 826 I HN 0.501 nan 8.210 nan 0.000 0.469 827 D N 3.256 123.705 120.400 0.081 0.000 2.738 827 D HA 0.527 5.167 4.640 -0.000 0.000 0.218 827 D C 0.283 176.562 176.300 -0.035 0.000 1.345 827 D CA -0.276 53.740 54.000 0.028 0.000 0.943 827 D CB 1.143 41.955 40.800 0.020 0.000 1.514 827 D HN 0.753 nan 8.370 nan 0.000 0.585 828 G N 1.069 109.843 108.800 -0.044 0.000 2.299 828 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.237 828 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.237 828 G C 0.649 175.465 174.900 -0.139 0.000 1.027 828 G CA 0.074 45.113 45.100 -0.102 0.000 0.619 828 G HN 1.314 nan 8.290 nan 0.000 0.513 829 A N 0.704 123.456 122.820 -0.114 0.000 2.462 829 A HA 0.581 4.901 4.320 -0.000 0.000 0.243 829 A C 0.946 178.542 177.584 0.020 0.000 1.076 829 A CA 0.485 52.489 52.037 -0.055 0.000 0.773 829 A CB 0.618 19.689 19.000 0.118 0.000 1.010 829 A HN 1.293 nan 8.150 nan 0.000 0.493 830 V N 4.312 124.246 119.914 0.033 0.000 2.475 830 V HA -0.094 4.026 4.120 -0.000 0.000 0.292 830 V C 0.543 176.691 176.094 0.090 0.000 1.003 830 V CA 0.296 62.628 62.300 0.054 0.000 1.120 830 V CB -0.774 31.064 31.823 0.026 0.000 0.937 830 V HN 0.615 nan 8.190 nan 0.000 0.476 831 I N 10.025 130.596 120.570 0.002 0.000 2.845 831 I HA 0.008 4.178 4.170 -0.000 0.000 0.290 831 I C -1.462 174.458 176.117 -0.329 0.000 1.202 831 I CA -0.537 60.662 61.300 -0.169 0.000 1.406 831 I CB -0.095 37.859 38.000 -0.078 0.000 1.383 831 I HN 0.505 nan 8.210 nan 0.000 0.549 832 P HA -0.102 nan 4.420 nan 0.000 0.266 832 P C 0.218 177.084 177.300 -0.723 0.000 1.180 832 P CA 0.145 62.607 63.100 -1.062 0.000 0.765 832 P CB 0.654 31.564 31.700 -1.315 0.000 0.806 833 D N 0.321 120.363 120.400 -0.597 0.000 2.084 833 D HA -0.119 4.520 4.640 -0.000 0.000 0.194 833 D C 0.453 176.598 176.300 -0.257 0.000 0.990 833 D CA 1.805 55.580 54.000 -0.375 0.000 0.826 833 D CB -0.189 40.355 40.800 -0.427 0.000 0.971 833 D HN 0.483 nan 8.370 nan 0.000 0.453 834 H N -1.817 116.968 119.070 -0.475 0.000 2.524 834 H HA 0.285 4.840 4.556 -0.001 0.000 0.353 834 H C -0.674 174.406 175.328 -0.414 0.000 1.136 834 H CA -1.032 54.813 56.048 -0.337 0.000 1.193 834 H CB 0.274 29.888 29.762 -0.247 0.000 1.558 834 H HN -0.017 nan 8.280 nan 0.000 0.515 835 W N 2.942 124.215 121.300 -0.044 0.000 2.322 835 W HA 0.359 5.019 4.660 -0.000 0.000 0.307 835 W C -0.030 176.444 176.519 -0.076 0.000 1.220 835 W CA -0.392 56.898 57.345 -0.091 0.000 1.210 835 W CB 0.752 30.157 29.460 -0.090 0.000 1.223 835 W HN 0.206 nan 8.180 nan 0.000 0.511 836 L N 3.432 124.762 121.223 0.179 0.000 2.334 836 L HA 0.159 4.499 4.340 -0.000 0.000 0.277 836 L C 0.350 177.267 176.870 0.078 0.000 1.075 836 L CA -0.748 54.148 54.840 0.093 0.000 0.804 836 L CB 0.722 42.800 42.059 0.032 0.000 1.174 836 L HN 0.284 nan 8.230 nan 0.000 0.438 837 D N 4.566 124.993 120.400 0.046 0.000 2.363 837 D HA 0.110 4.750 4.640 -0.000 0.000 0.263 837 D C -2.244 174.075 176.300 0.031 0.000 1.258 837 D CA -1.306 52.712 54.000 0.031 0.000 0.907 837 D CB 0.850 41.666 40.800 0.027 0.000 1.107 837 D HN 0.089 nan 8.370 nan 0.000 0.495 838 P HA 0.086 nan 4.420 nan 0.000 0.270 838 P C -0.093 177.232 177.300 0.041 0.000 1.242 838 P CA 0.065 63.199 63.100 0.056 0.000 0.768 838 P CB 1.019 32.809 31.700 0.151 0.000 0.820 839 S N 2.513 118.203 115.700 -0.018 0.000 2.961 839 S HA 0.194 4.664 4.470 -0.000 0.000 0.253 839 S C 0.527 175.094 174.600 -0.054 0.000 1.029 839 S CA 0.301 58.489 58.200 -0.019 0.000 1.087 839 S CB -0.577 62.621 63.200 -0.003 0.000 0.932 839 S HN 0.392 nan 8.310 nan 0.000 0.418 840 A N 2.686 125.427 122.820 -0.131 0.000 2.491 840 A HA 0.611 4.931 4.320 -0.000 0.000 0.261 840 A C -0.096 177.330 177.584 -0.263 0.000 1.101 840 A CA -0.055 51.855 52.037 -0.212 0.000 0.772 840 A CB 0.030 18.753 19.000 -0.461 0.000 1.043 840 A HN 0.790 nan 8.150 nan 0.000 0.501 841 V N 3.486 123.354 119.914 -0.076 0.000 2.417 841 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 841 V C -0.506 175.737 176.094 0.248 0.000 1.024 841 V CA -0.734 61.565 62.300 -0.001 0.000 0.861 841 V CB 0.772 32.623 31.823 0.046 0.000 0.985 841 V HN 0.891 nan 8.190 nan 0.000 0.436 842 W N 1.395 122.710 121.300 0.024 0.000 2.655 842 W HA 0.583 5.243 4.660 -0.000 0.000 0.358 842 W C 0.233 176.746 176.519 -0.009 0.000 1.100 842 W CA -1.162 56.207 57.345 0.041 0.000 1.195 842 W CB 1.092 30.631 29.460 0.130 0.000 1.403 842 W HN 0.503 nan 8.180 nan 0.000 0.589 843 E N 1.559 121.832 120.200 0.122 0.000 2.129 843 E HA 0.471 4.820 4.350 -0.000 0.000 0.268 843 E C -1.638 174.931 176.600 -0.052 0.000 0.900 843 E CA -0.257 56.150 56.400 0.011 0.000 0.755 843 E CB 1.766 31.437 29.700 -0.049 0.000 1.117 843 E HN 0.192 nan 8.360 nan 0.000 0.410 844 V N 4.352 124.284 119.914 0.030 0.000 2.604 844 V HA 0.327 4.447 4.120 -0.000 0.000 0.305 844 V C -0.042 176.075 176.094 0.039 0.000 1.043 844 V CA -0.794 61.537 62.300 0.053 0.000 0.888 844 V CB 2.041 33.942 31.823 0.130 0.000 0.995 844 V HN 0.613 nan 8.190 nan 0.000 0.429 845 K N 3.508 123.931 120.400 0.037 0.000 2.139 845 K HA 0.880 5.200 4.320 -0.000 0.000 0.243 845 K C -0.659 175.986 176.600 0.075 0.000 0.983 845 K CA -0.183 56.134 56.287 0.050 0.000 0.890 845 K CB 1.675 34.203 32.500 0.048 0.000 1.090 845 K HN 1.023 nan 8.250 nan 0.000 0.445 846 C N 0.225 119.572 119.300 0.078 0.000 3.292 846 C HA 0.771 5.231 4.460 -0.000 0.000 0.338 846 C C 0.652 175.697 174.990 0.092 0.000 1.323 846 C CA -0.081 58.996 59.018 0.097 0.000 1.232 846 C CB 0.787 28.570 27.740 0.071 0.000 1.517 846 C HN 0.866 nan 8.230 nan 0.000 0.470 847 A N 0.464 123.351 122.820 0.112 0.000 1.984 847 A HA 0.441 4.761 4.320 -0.000 0.000 0.214 847 A C 0.647 178.251 177.584 0.035 0.000 1.173 847 A CA 1.514 53.615 52.037 0.107 0.000 0.673 847 A CB -0.222 18.925 19.000 0.244 0.000 0.830 847 A HN 0.968 nan 8.150 nan 0.000 0.453 848 D N -2.790 117.609 120.400 -0.003 0.000 2.970 848 D HA 0.494 5.134 4.640 -0.000 0.000 0.344 848 D C -1.520 174.796 176.300 0.027 0.000 1.365 848 D CA -0.333 53.670 54.000 0.005 0.000 0.910 848 D CB 0.738 41.530 40.800 -0.014 0.000 1.445 848 D HN 0.060 nan 8.370 nan 0.000 0.532 849 L N 0.479 121.756 121.223 0.090 0.000 2.434 849 L HA 0.566 4.906 4.340 -0.000 0.000 0.260 849 L C -0.816 176.169 176.870 0.193 0.000 0.983 849 L CA -0.592 54.336 54.840 0.147 0.000 0.820 849 L CB 2.186 44.421 42.059 0.294 0.000 1.361 849 L HN 0.585 nan 8.230 nan 0.000 0.410 850 S N 1.375 117.096 115.700 0.035 0.000 2.556 850 S HA 0.539 5.009 4.470 -0.000 0.000 0.271 850 S C -1.029 173.452 174.600 -0.199 0.000 1.135 850 S CA -0.930 57.267 58.200 -0.005 0.000 0.858 850 S CB 1.890 65.101 63.200 0.018 0.000 1.114 850 S HN 0.410 nan 8.310 nan 0.000 0.468 851 L N 3.076 124.173 121.223 -0.210 0.000 2.515 851 L HA 0.263 4.603 4.340 -0.000 0.000 0.281 851 L C 0.928 177.754 176.870 -0.074 0.000 1.131 851 L CA 0.203 54.922 54.840 -0.202 0.000 0.905 851 L CB 0.371 42.343 42.059 -0.145 0.000 1.246 851 L HN 1.000 nan 8.230 nan 0.000 0.463 852 S N 6.603 122.286 115.700 -0.028 0.000 2.576 852 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 852 S C -1.568 173.027 174.600 -0.010 0.000 1.339 852 S CA -0.867 57.357 58.200 0.040 0.000 1.039 852 S CB 1.035 64.373 63.200 0.230 0.000 0.902 852 S HN 0.473 nan 8.310 nan 0.000 0.516 853 P HA 0.350 nan 4.420 nan 0.000 0.269 853 P C 0.138 177.380 177.300 -0.097 0.000 1.478 853 P CA -0.081 62.985 63.100 -0.056 0.000 1.045 853 P CB 0.230 31.898 31.700 -0.052 0.000 1.512 854 I N -2.091 118.382 120.570 -0.162 0.000 4.779 854 I HA 0.216 4.386 4.170 -0.000 0.000 0.339 854 I C -0.137 175.727 176.117 -0.423 0.000 1.293 854 I CA -0.524 60.581 61.300 -0.325 0.000 1.324 854 I CB 0.247 37.956 38.000 -0.485 0.000 1.424 854 I HN -0.158 nan 8.210 nan 0.000 0.489 855 Y N 3.137 123.432 120.300 -0.007 0.000 2.341 855 Y HA 0.335 4.885 4.550 -0.001 0.000 0.338 855 Y C -1.436 174.457 175.900 -0.011 0.000 0.965 855 Y CA -1.630 56.470 58.100 -0.001 0.000 1.108 855 Y CB 1.743 40.202 38.460 -0.002 0.000 1.180 855 Y HN -0.131 nan 8.280 nan 0.000 0.458 856 P HA -0.114 nan 4.420 nan 0.000 0.217 856 P C 0.315 177.654 177.300 0.066 0.000 1.154 856 P CA 0.690 63.844 63.100 0.091 0.000 0.841 856 P CB 0.079 31.828 31.700 0.081 0.000 0.788 857 A N 0.865 123.729 122.820 0.075 0.000 2.600 857 A HA 0.249 4.569 4.320 -0.000 0.000 0.244 857 A C 1.274 178.862 177.584 0.006 0.000 1.016 857 A CA 0.891 52.944 52.037 0.026 0.000 0.778 857 A CB -1.354 17.649 19.000 0.005 0.000 0.920 857 A HN 0.489 nan 8.150 nan 0.000 0.513 858 A N 0.355 123.174 122.820 -0.001 0.000 2.799 858 A HA 0.062 4.382 4.320 -0.000 0.000 0.287 858 A C 0.909 178.485 177.584 -0.013 0.000 1.484 858 A CA 2.045 54.078 52.037 -0.006 0.000 0.813 858 A CB -2.625 16.372 19.000 -0.006 0.000 1.009 858 A HN 2.582 nan 8.150 nan 0.000 0.545 859 R N -0.437 120.059 120.500 -0.006 0.000 2.491 859 R HA 0.607 4.947 4.340 -0.000 0.000 0.283 859 R C 2.277 178.575 176.300 -0.005 0.000 1.072 859 R CA 0.957 57.052 56.100 -0.007 0.000 1.048 859 R CB -0.347 29.953 30.300 0.000 0.000 0.983 859 R HN 2.427 nan 8.270 nan 0.000 0.450 860 G N 0.221 109.018 108.800 -0.003 0.000 2.268 860 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 860 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 860 G C 1.211 176.117 174.900 0.010 0.000 1.010 860 G CA 0.619 45.721 45.100 0.002 0.000 0.618 860 G HN 0.596 nan 8.290 nan 0.000 0.516 861 L N -0.564 120.666 121.223 0.012 0.000 2.068 861 L HA 0.240 4.580 4.340 -0.000 0.000 0.204 861 L C 2.660 179.559 176.870 0.048 0.000 1.076 861 L CA 1.677 56.533 54.840 0.026 0.000 0.753 861 L CB -0.263 41.812 42.059 0.027 0.000 0.910 861 L HN 0.248 nan 8.230 nan 0.000 0.439 862 V N -1.960 117.987 119.914 0.055 0.000 3.379 862 V HA 0.097 4.217 4.120 -0.000 0.000 0.249 862 V C -0.285 175.854 176.094 0.075 0.000 1.184 862 V CA 0.313 62.678 62.300 0.108 0.000 1.106 862 V CB 0.822 32.794 31.823 0.248 0.000 0.826 862 V HN 0.269 nan 8.190 nan 0.000 0.465 863 D N -1.907 118.508 120.400 0.025 0.000 2.457 863 D HA 0.378 5.017 4.640 -0.000 0.000 0.240 863 D C 1.000 177.304 176.300 0.007 0.000 1.041 863 D CA 0.113 54.122 54.000 0.015 0.000 0.861 863 D CB 2.429 43.225 40.800 -0.007 0.000 1.394 863 D HN 0.022 nan 8.370 nan 0.000 0.473 864 S N 1.063 116.768 115.700 0.008 0.000 2.447 864 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 864 S C 0.458 175.057 174.600 -0.002 0.000 1.006 864 S CA 0.879 59.081 58.200 0.004 0.000 0.957 864 S CB 0.053 63.255 63.200 0.004 0.000 0.773 864 S HN 0.510 nan 8.310 nan 0.000 0.507 865 D N 0.480 120.877 120.400 -0.005 0.000 2.995 865 D HA 0.218 4.857 4.640 -0.000 0.000 0.289 865 D C 0.188 176.480 176.300 -0.014 0.000 1.116 865 D CA 0.480 54.475 54.000 -0.009 0.000 0.994 865 D CB 0.105 40.899 40.800 -0.010 0.000 1.209 865 D HN 0.132 nan 8.370 nan 0.000 0.458 866 K N 0.728 121.116 120.400 -0.020 0.000 2.295 866 K HA 0.505 4.825 4.320 -0.000 0.000 0.270 866 K C 0.670 177.248 176.600 -0.037 0.000 1.011 866 K CA -0.195 56.074 56.287 -0.031 0.000 0.953 866 K CB 1.200 33.672 32.500 -0.046 0.000 0.956 866 K HN 0.040 nan 8.250 nan 0.000 0.477 867 G N 1.875 110.663 108.800 -0.020 0.000 2.509 867 G HA2 0.511 4.470 3.960 -0.000 0.000 0.269 867 G HA3 0.511 4.470 3.960 -0.000 0.000 0.269 867 G C -0.405 174.449 174.900 -0.076 0.000 1.416 867 G CA -0.696 44.394 45.100 -0.017 0.000 1.052 867 G HN 0.518 nan 8.290 nan 0.000 0.542 868 I N -0.798 119.728 120.570 -0.074 0.000 2.730 868 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 868 I C -0.357 175.722 176.117 -0.064 0.000 1.089 868 I CA -0.654 60.556 61.300 -0.150 0.000 1.041 868 I CB 1.787 39.615 38.000 -0.287 0.000 1.235 868 I HN 0.446 nan 8.210 nan 0.000 0.423 869 S N 3.961 119.631 115.700 -0.051 0.000 2.715 869 S HA 0.769 5.239 4.470 -0.000 0.000 0.307 869 S C -0.688 173.877 174.600 -0.057 0.000 1.119 869 S CA -0.736 57.413 58.200 -0.085 0.000 0.937 869 S CB 1.627 64.817 63.200 -0.016 0.000 1.150 869 S HN 0.467 nan 8.310 nan 0.000 0.521 870 L N 2.357 123.542 121.223 -0.064 0.000 2.334 870 L HA 0.602 4.942 4.340 -0.000 0.000 0.277 870 L C 0.364 177.220 176.870 -0.023 0.000 1.075 870 L CA -0.651 54.176 54.840 -0.021 0.000 0.804 870 L CB 0.826 42.886 42.059 0.001 0.000 1.174 870 L HN 0.594 nan 8.230 nan 0.000 0.438 871 R N 3.166 123.628 120.500 -0.063 0.000 2.338 871 R HA 0.380 4.720 4.340 -0.000 0.000 0.317 871 R C -0.531 175.664 176.300 -0.174 0.000 0.968 871 R CA -0.486 55.481 56.100 -0.222 0.000 0.849 871 R CB 0.517 30.594 30.300 -0.370 0.000 1.128 871 R HN 0.641 nan 8.270 nan 0.000 0.448 872 F N 2.218 122.208 119.950 0.068 0.000 3.039 872 F HA -0.174 4.353 4.527 -0.000 0.000 0.287 872 F C -1.802 174.025 175.800 0.046 0.000 0.956 872 F CA -0.655 57.374 58.000 0.049 0.000 0.971 872 F CB -1.124 37.895 39.000 0.032 0.000 0.943 872 F HN 0.457 nan 8.300 nan 0.000 0.766 873 P HA 0.260 nan 4.420 nan 0.000 0.268 873 P C -0.563 176.826 177.300 0.147 0.000 1.204 873 P CA 0.323 63.514 63.100 0.153 0.000 0.768 873 P CB 0.921 32.708 31.700 0.144 0.000 0.842 874 R N 2.033 122.608 120.500 0.124 0.000 2.533 874 R HA 0.415 4.754 4.340 -0.000 0.000 0.288 874 R C -0.426 175.947 176.300 0.122 0.000 1.039 874 R CA -0.744 55.408 56.100 0.085 0.000 0.909 874 R CB 0.878 31.195 30.300 0.029 0.000 1.195 874 R HN 0.310 nan 8.270 nan 0.000 0.438 875 F N 3.060 123.014 119.950 0.006 0.000 2.602 875 F HA 0.110 4.637 4.527 -0.001 0.000 0.367 875 F C 0.240 176.034 175.800 -0.011 0.000 1.126 875 F CA 0.541 58.580 58.000 0.065 0.000 1.321 875 F CB 0.491 39.602 39.000 0.186 0.000 1.094 875 F HN 0.579 nan 8.300 nan 0.000 0.594 876 I N 2.918 122.886 120.570 -1.002 0.000 3.746 876 I HA 0.228 4.398 4.170 -0.000 0.000 0.262 876 I C -0.524 174.983 176.117 -1.015 0.000 1.153 876 I CA -0.343 60.542 61.300 -0.691 0.000 1.395 876 I CB 0.311 38.119 38.000 -0.319 0.000 1.589 876 I HN 0.650 nan 8.210 nan 0.000 0.441 877 R N -0.819 118.976 120.500 -1.175 0.000 2.728 877 R HA 0.552 4.892 4.340 -0.000 0.000 0.274 877 R C -1.548 174.549 176.300 -0.338 0.000 1.032 877 R CA -0.773 54.935 56.100 -0.654 0.000 0.866 877 R CB 1.101 31.272 30.300 -0.216 0.000 1.263 877 R HN -0.250 nan 8.270 nan 0.000 0.475 878 V N 1.799 121.725 119.914 0.021 0.000 2.775 878 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 878 V C 0.179 176.354 176.094 0.133 0.000 1.062 878 V CA -0.349 62.069 62.300 0.197 0.000 1.063 878 V CB 0.987 32.989 31.823 0.298 0.000 0.994 878 V HN 0.538 nan 8.190 nan 0.000 0.483 879 R N 3.538 124.138 120.500 0.167 0.000 2.346 879 R HA 0.209 4.549 4.340 -0.000 0.000 0.309 879 R C 0.666 177.029 176.300 0.106 0.000 1.119 879 R CA -0.176 55.984 56.100 0.100 0.000 1.112 879 R CB 0.474 30.818 30.300 0.074 0.000 1.132 879 R HN 0.896 nan 8.270 nan 0.000 0.538 880 E N 0.368 120.626 120.200 0.097 0.000 2.416 880 E HA -0.070 4.279 4.350 -0.000 0.000 0.189 880 E C -0.320 176.313 176.600 0.055 0.000 1.091 880 E CA 0.396 56.849 56.400 0.089 0.000 0.889 880 E CB 0.160 29.916 29.700 0.092 0.000 1.015 880 E HN 0.405 nan 8.360 nan 0.000 0.479 881 D N 0.790 121.215 120.400 0.043 0.000 2.394 881 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 881 D C 0.381 176.689 176.300 0.014 0.000 0.990 881 D CA 0.113 54.128 54.000 0.024 0.000 0.902 881 D CB -0.038 40.772 40.800 0.017 0.000 1.038 881 D HN -0.065 nan 8.370 nan 0.000 0.499 882 K N 0.477 120.888 120.400 0.019 0.000 2.270 882 K HA 0.228 4.548 4.320 -0.000 0.000 0.276 882 K C -0.038 176.559 176.600 -0.005 0.000 1.023 882 K CA -0.354 55.934 56.287 0.002 0.000 0.955 882 K CB 0.813 33.317 32.500 0.007 0.000 0.975 882 K HN -0.027 nan 8.250 nan 0.000 0.471 883 Q N 1.573 121.356 119.800 -0.029 0.000 2.204 883 Q HA 0.221 4.561 4.340 -0.000 0.000 0.254 883 Q C -1.867 174.100 176.000 -0.054 0.000 0.981 883 Q CA -2.383 53.397 55.803 -0.038 0.000 0.897 883 Q CB 0.702 29.408 28.738 -0.053 0.000 1.273 883 Q HN 0.234 nan 8.270 nan 0.000 0.464 884 P HA -0.130 nan 4.420 nan 0.000 0.220 884 P C -0.112 177.147 177.300 -0.069 0.000 1.148 884 P CA 1.196 64.288 63.100 -0.013 0.000 0.803 884 P CB 0.442 32.167 31.700 0.041 0.000 0.782 885 E N 0.363 120.440 120.200 -0.206 0.000 2.216 885 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 885 E C 1.429 177.668 176.600 -0.602 0.000 0.988 885 E CA 0.641 56.660 56.400 -0.635 0.000 0.834 885 E CB -0.939 28.454 29.700 -0.512 0.000 0.772 885 E HN 0.493 nan 8.360 nan 0.000 0.479 886 Q N 0.797 120.425 119.800 -0.287 0.000 2.244 886 Q HA 0.477 4.816 4.340 -0.000 0.000 0.239 886 Q C 0.185 176.121 176.000 -0.107 0.000 0.890 886 Q CA -0.254 55.438 55.803 -0.186 0.000 0.964 886 Q CB 0.487 29.154 28.738 -0.118 0.000 1.076 886 Q HN 0.145 nan 8.270 nan 0.000 0.447 887 A N 0.947 123.708 122.820 -0.098 0.000 2.250 887 A HA 0.433 4.753 4.320 -0.000 0.000 0.283 887 A C 0.244 177.839 177.584 0.017 0.000 1.206 887 A CA -0.349 51.683 52.037 -0.009 0.000 0.840 887 A CB 0.323 19.346 19.000 0.038 0.000 1.220 887 A HN 0.311 nan 8.150 nan 0.000 0.505 888 T N 0.573 115.156 114.554 0.049 0.000 2.898 888 T HA 0.409 4.759 4.350 -0.000 0.000 0.301 888 T C 0.340 175.099 174.700 0.098 0.000 1.049 888 T CA 0.496 62.631 62.100 0.058 0.000 1.095 888 T CB 0.477 69.376 68.868 0.051 0.000 0.976 888 T HN 0.620 nan 8.240 nan 0.000 0.539 889 T N 1.182 115.793 114.554 0.095 0.000 2.945 889 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 889 T C 1.502 176.255 174.700 0.088 0.000 1.025 889 T CA -0.573 61.607 62.100 0.133 0.000 1.039 889 T CB 1.346 70.291 68.868 0.128 0.000 1.068 889 T HN 0.513 nan 8.240 nan 0.000 0.497 890 S N 1.575 117.320 115.700 0.076 0.000 2.383 890 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 890 S C 2.137 176.761 174.600 0.040 0.000 1.026 890 S CA 1.212 59.435 58.200 0.039 0.000 0.981 890 S CB -0.246 62.959 63.200 0.009 0.000 0.818 890 S HN 0.761 nan 8.310 nan 0.000 0.472 891 A N 0.635 123.482 122.820 0.045 0.000 2.072 891 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 891 A C 1.977 179.590 177.584 0.049 0.000 1.156 891 A CA 0.528 52.591 52.037 0.044 0.000 0.701 891 A CB -0.305 18.719 19.000 0.039 0.000 0.816 891 A HN 0.486 nan 8.150 nan 0.000 0.458 892 Q N -0.430 119.401 119.800 0.052 0.000 2.050 892 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 892 Q C 2.120 178.151 176.000 0.051 0.000 0.980 892 Q CA 1.733 57.565 55.803 0.047 0.000 0.840 892 Q CB -0.308 28.460 28.738 0.049 0.000 0.898 892 Q HN 0.484 nan 8.270 nan 0.000 0.424 893 V N 0.925 120.871 119.914 0.054 0.000 2.295 893 V HA -0.270 3.849 4.120 -0.000 0.000 0.246 893 V C 2.290 178.436 176.094 0.087 0.000 1.049 893 V CA 1.812 64.147 62.300 0.058 0.000 1.024 893 V CB -0.931 30.914 31.823 0.038 0.000 0.648 893 V HN 0.398 nan 8.190 nan 0.000 0.447 894 A N -1.420 121.445 122.820 0.076 0.000 1.978 894 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 894 A C 2.381 180.033 177.584 0.113 0.000 1.170 894 A CA 2.193 54.291 52.037 0.101 0.000 0.636 894 A CB -1.138 17.902 19.000 0.067 0.000 0.810 894 A HN 0.597 nan 8.150 nan 0.000 0.448 895 C N -0.899 118.446 119.300 0.076 0.000 2.455 895 C HA -0.069 4.390 4.460 -0.000 0.000 0.281 895 C C 2.625 177.647 174.990 0.054 0.000 1.237 895 C CA 1.228 60.278 59.018 0.053 0.000 1.726 895 C CB -1.525 26.238 27.740 0.038 0.000 2.068 895 C HN 0.642 nan 8.230 nan 0.000 0.466 896 L N -0.470 120.791 121.223 0.063 0.000 1.997 896 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 896 L C 2.501 179.414 176.870 0.073 0.000 1.074 896 L CA 2.481 57.355 54.840 0.057 0.000 0.763 896 L CB -0.985 41.113 42.059 0.065 0.000 0.890 896 L HN 0.499 nan 8.230 nan 0.000 0.434 897 Y N 0.547 120.846 120.300 -0.001 0.000 2.114 897 Y HA -0.311 4.238 4.550 -0.001 0.000 0.282 897 Y C 2.822 178.719 175.900 -0.004 0.000 1.165 897 Y CA 1.686 59.784 58.100 -0.002 0.000 1.148 897 Y CB -0.308 38.153 38.460 0.002 0.000 0.972 897 Y HN -0.009 nan 8.280 nan 0.000 0.504 898 R N 0.008 120.501 120.500 -0.011 0.000 2.103 898 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 898 R C 2.541 178.765 176.300 -0.127 0.000 1.142 898 R CA 2.335 58.385 56.100 -0.083 0.000 0.960 898 R CB -0.355 29.950 30.300 0.008 0.000 0.858 898 R HN 0.392 nan 8.270 nan 0.000 0.439 899 K N 0.695 121.044 120.400 -0.084 0.000 2.148 899 K HA -0.184 4.135 4.320 -0.000 0.000 0.204 899 K C 1.739 178.273 176.600 -0.111 0.000 1.050 899 K CA 1.536 57.777 56.287 -0.076 0.000 0.942 899 K CB -0.671 31.803 32.500 -0.043 0.000 0.724 899 K HN 0.400 nan 8.250 nan 0.000 0.446 900 Q N 0.557 120.262 119.800 -0.157 0.000 2.156 900 Q HA -0.130 4.209 4.340 -0.000 0.000 0.211 900 Q C 0.596 176.503 176.000 -0.155 0.000 0.995 900 Q CA 1.819 57.523 55.803 -0.164 0.000 0.877 900 Q CB -0.133 28.458 28.738 -0.246 0.000 0.920 900 Q HN 0.693 nan 8.270 nan 0.000 0.416 901 S N 0.000 115.589 115.700 -0.185 0.000 2.498 901 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 901 S CA 0.000 58.116 58.200 -0.140 0.000 1.107 901 S CB 0.000 63.103 63.200 -0.162 0.000 0.593 901 S HN 0.000 nan 8.310 nan 0.000 0.517