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 1ktq_1_A DATA FIRST_RESID 290 DATA SEQUENCE SPKALEEAPW PPPEGAFVGF VLSRKEPMWA DLLALAAARG GRVHRAPEPY DATA SEQUENCE KALRDLKEAR GLLAKDLSVL ALREGLGLPP GDDPMLLAYL LDPSNTTPEG DATA SEQUENCE VARRYGGEWT EEAGERAALS ERLFANLWGR LEGEERLLWL YREVERPLSA DATA SEQUENCE VLAHMEATGV RLDVAYLRAL SLEVAEEIAR LEAEVFRLAG HPFNLNSRDQ DATA SEQUENCE LERVLFDELG LPAIXXXXXX XXXSTSAAVL EALREAHPIV EKILQYRELT DATA SEQUENCE KLKSTYIDPL PDLIHPRTGR LHTRFNQTAT ATGRLSSSDP NLQNIPVRTP DATA SEQUENCE LGQRIRRAFI AEEGWLLVAL DYSQIELRVL AHLSGDENLI RVFQEGRDIH DATA SEQUENCE TETASWMFGV PREAVDPLMR RAAKTINFGV LYGMSAHRLS QELAIPYEEA DATA SEQUENCE QAFIERYFQS FPKVRAWIEK TLEEGRRRGY VETLFGRRRY VPDLEARVKS DATA SEQUENCE VREAAERMAF NMPVQGTAAD LMKLAMVKLF PRLEEMGARM LLQVHDELVL DATA SEQUENCE EAPKERAEAV ARLAKEVMEG VYPLAVPLEV EVGIGEDWLS AKE 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 290 S HA 0.000 nan 4.470 nan 0.000 0.327 290 S C 0.000 174.607 174.600 0.011 0.000 1.055 290 S CA 0.000 58.206 58.200 0.010 0.000 1.107 290 S CB 0.000 63.206 63.200 0.009 0.000 0.593 291 P HA 0.261 nan 4.420 nan 0.000 0.274 291 P C -1.603 175.703 177.300 0.010 0.000 1.256 291 P CA -0.398 62.711 63.100 0.014 0.000 0.795 291 P CB 0.556 32.268 31.700 0.020 0.000 1.038 292 K N -0.265 120.140 120.400 0.009 0.000 2.296 292 K HA 0.166 nan 4.320 nan 0.000 0.243 292 K C -0.692 175.911 176.600 0.004 0.000 1.082 292 K CA -0.917 55.374 56.287 0.006 0.000 0.929 292 K CB 1.303 33.807 32.500 0.006 0.000 1.353 292 K HN -0.059 8.197 8.250 0.010 0.000 0.536 293 A N -1.295 121.527 122.820 0.003 0.000 5.479 293 A HA -0.258 nan 4.320 nan 0.000 0.301 293 A C -1.506 176.077 177.584 -0.002 0.000 1.961 293 A CA 1.528 53.565 52.037 0.001 0.000 0.716 293 A CB -1.309 17.692 19.000 0.002 0.000 1.266 293 A HN 0.162 8.314 8.150 0.002 0.000 0.372 294 L N -0.945 120.275 121.223 -0.005 0.000 2.319 294 L HA 0.395 nan 4.340 nan 0.000 0.281 294 L C -0.884 175.978 176.870 -0.014 0.000 1.005 294 L CA -0.032 54.802 54.840 -0.009 0.000 0.828 294 L CB 1.046 43.099 42.059 -0.010 0.000 1.227 294 L HN -0.125 8.103 8.230 -0.004 0.000 0.415 295 E N 0.807 120.997 120.200 -0.017 0.000 2.571 295 E HA 0.026 nan 4.350 nan 0.000 0.222 295 E C -0.573 176.001 176.600 -0.043 0.000 0.904 295 E CA -0.558 55.829 56.400 -0.022 0.000 1.157 295 E CB 1.208 30.906 29.700 -0.004 0.000 1.158 295 E HN 0.365 8.717 8.360 -0.014 0.000 0.540 296 E N 1.740 121.914 120.200 -0.043 0.000 2.354 296 E HA 0.158 nan 4.350 nan 0.000 0.269 296 E C -1.159 175.369 176.600 -0.121 0.000 1.036 296 E CA -0.175 56.190 56.400 -0.059 0.000 0.876 296 E CB 0.473 30.158 29.700 -0.025 0.000 1.009 296 E HN -0.339 8.002 8.360 -0.032 0.000 0.416 297 A N 5.758 128.444 122.820 -0.224 0.000 2.469 297 A HA 0.508 nan 4.320 nan 0.000 0.299 297 A C -3.302 174.168 177.584 -0.191 0.000 1.098 297 A CA -2.577 49.264 52.037 -0.326 0.000 0.737 297 A CB 1.317 19.849 19.000 -0.779 0.000 1.312 297 A HN 0.578 8.608 8.150 -0.201 0.000 0.414 298 P HA -0.023 nan 4.420 nan 0.000 0.269 298 P C -1.878 175.539 177.300 0.195 0.000 1.209 298 P CA -0.321 62.820 63.100 0.068 0.000 0.776 298 P CB 0.656 32.388 31.700 0.053 0.000 0.876 299 W N 3.867 125.226 121.300 0.098 0.000 2.251 299 W HA 0.144 nan 4.660 nan 0.000 0.329 299 W C -2.109 174.461 176.519 0.085 0.000 1.234 299 W CA -1.917 55.505 57.345 0.128 0.000 1.228 299 W CB 0.082 29.586 29.460 0.073 0.000 1.135 299 W HN 0.118 8.516 8.180 0.364 0.000 0.576 300 P HA 0.299 nan 4.420 nan 0.000 0.276 300 P C -2.419 174.444 177.300 -0.729 0.000 1.252 300 P CA -1.770 60.729 63.100 -1.001 0.000 0.802 300 P CB -0.458 30.889 31.700 -0.589 0.000 1.035 301 P HA 0.325 nan 4.420 nan 0.000 0.278 301 P C -2.209 174.751 177.300 -0.567 0.000 1.266 301 P CA -1.629 60.802 63.100 -1.116 0.000 0.807 301 P CB -0.638 30.315 31.700 -1.245 0.000 1.094 302 P HA 0.201 nan 4.420 nan 0.000 0.274 302 P C -1.291 175.861 177.300 -0.245 0.000 1.256 302 P CA -0.846 62.115 63.100 -0.231 0.000 0.795 302 P CB 0.735 32.351 31.700 -0.139 0.000 1.038 303 E N 0.505 120.591 120.200 -0.189 0.000 2.384 303 E HA -0.206 nan 4.350 nan 0.000 0.266 303 E C 0.573 177.048 176.600 -0.209 0.000 1.012 303 E CA 1.282 57.568 56.400 -0.191 0.000 0.901 303 E CB 0.008 29.619 29.700 -0.148 0.000 0.967 303 E HN 0.201 8.468 8.360 -0.154 0.000 0.435 304 G N 2.136 110.777 108.800 -0.266 0.000 2.144 304 G HA2 -0.394 nan 3.960 nan 0.000 0.218 304 G HA3 -0.394 nan 3.960 nan 0.000 0.218 304 G C -1.114 173.528 174.900 -0.430 0.000 0.988 304 G CA -0.153 44.739 45.100 -0.346 0.000 0.659 304 G HN 0.545 8.674 8.290 -0.268 0.000 0.522 305 A N -0.759 121.852 122.820 -0.348 0.000 2.304 305 A HA 0.151 nan 4.320 nan 0.000 0.271 305 A C -0.714 176.659 177.584 -0.352 0.000 1.091 305 A CA -0.379 51.500 52.037 -0.263 0.000 0.812 305 A CB 1.275 20.121 19.000 -0.257 0.000 1.056 305 A HN -0.802 7.118 8.150 -0.314 0.042 0.489 306 F N 0.488 120.391 119.950 -0.079 0.000 2.404 306 F HA 0.136 nan 4.527 nan 0.000 0.345 306 F C -0.343 175.473 175.800 0.026 0.000 1.110 306 F CA 0.268 58.245 58.000 -0.038 0.000 1.130 306 F CB 1.707 40.694 39.000 -0.021 0.000 1.129 306 F HN -0.249 8.236 8.300 0.308 0.000 0.500 307 V N 3.517 123.552 119.914 0.201 0.000 2.863 307 V HA 0.506 nan 4.120 nan 0.000 0.307 307 V C -0.896 175.363 176.094 0.275 0.000 1.061 307 V CA -1.156 61.283 62.300 0.232 0.000 1.024 307 V CB 0.724 32.672 31.823 0.208 0.000 1.049 307 V HN 0.314 8.612 8.190 0.180 0.000 0.471 308 G N 0.362 109.321 108.800 0.265 0.000 2.612 308 G HA2 0.536 nan 3.960 nan 0.000 0.298 308 G HA3 0.536 nan 3.960 nan 0.000 0.298 308 G C -3.077 171.974 174.900 0.252 0.000 1.336 308 G CA -1.253 43.954 45.100 0.178 0.000 0.953 308 G HN -0.029 8.423 8.290 0.272 0.000 0.482 309 F N -3.339 116.627 119.950 0.027 0.000 2.703 309 F HA 0.736 nan 4.527 nan 0.000 0.308 309 F C -2.478 173.304 175.800 -0.030 0.000 1.126 309 F CA -2.141 55.848 58.000 -0.017 0.000 0.959 309 F CB 2.239 41.229 39.000 -0.018 0.000 1.297 309 F HN -0.341 7.822 8.300 -0.228 0.000 0.441 310 V N -0.005 119.989 119.914 0.135 0.000 2.588 310 V HA 0.476 nan 4.120 nan 0.000 0.304 310 V C -1.629 174.538 176.094 0.121 0.000 1.042 310 V CA -1.018 61.300 62.300 0.032 0.000 0.877 310 V CB 2.171 33.963 31.823 -0.051 0.000 0.996 310 V HN -0.088 8.197 8.190 0.158 0.000 0.425 311 L N 1.875 123.182 121.223 0.139 0.000 2.303 311 L HA 0.694 nan 4.340 nan 0.000 0.266 311 L C 0.137 177.053 176.870 0.077 0.000 1.011 311 L CA -1.784 53.132 54.840 0.127 0.000 0.818 311 L CB 3.790 45.967 42.059 0.195 0.000 1.326 311 L HN 0.259 8.551 8.230 0.103 0.000 0.435 312 S N 1.470 117.212 115.700 0.071 0.000 4.051 312 S HA -0.133 nan 4.470 nan 0.000 0.215 312 S C 0.088 174.725 174.600 0.061 0.000 1.289 312 S CA 0.597 58.831 58.200 0.057 0.000 0.907 312 S CB -1.259 61.978 63.200 0.063 0.000 1.603 312 S HN 0.198 8.555 8.310 0.078 0.000 0.453 313 R N -0.083 120.450 120.500 0.054 0.000 3.722 313 R HA -0.423 nan 4.340 nan 0.000 0.284 313 R C -0.814 175.520 176.300 0.057 0.000 1.165 313 R CA 1.708 57.838 56.100 0.051 0.000 0.779 313 R CB -1.849 28.469 30.300 0.030 0.000 1.179 313 R HN 0.183 8.426 8.270 0.048 0.057 0.491 314 K N -2.489 117.960 120.400 0.081 0.000 1.761 314 K HA 0.140 nan 4.320 nan 0.000 0.275 314 K C -2.021 174.640 176.600 0.102 0.000 0.950 314 K CA -1.368 54.968 56.287 0.082 0.000 0.951 314 K CB 2.758 35.324 32.500 0.111 0.000 2.864 314 K HN -0.263 8.015 8.250 0.096 0.030 1.032 315 E N -1.658 118.619 120.200 0.129 0.000 2.292 315 E HA 0.367 nan 4.350 nan 0.000 0.272 315 E C -1.595 175.120 176.600 0.192 0.000 0.881 315 E CA -3.006 53.480 56.400 0.142 0.000 0.754 315 E CB 1.148 30.914 29.700 0.111 0.000 1.201 315 E HN -0.210 8.244 8.360 0.156 0.000 0.425 316 P HA -0.098 nan 4.420 nan 0.000 0.219 316 P C 0.827 178.156 177.300 0.048 0.000 1.146 316 P CA 2.062 65.215 63.100 0.089 0.000 0.808 316 P CB 0.265 31.986 31.700 0.036 0.000 0.779 317 M N -3.255 116.361 119.600 0.026 0.000 2.659 317 M HA -0.065 nan 4.480 nan 0.000 0.243 317 M C 0.249 176.416 176.300 -0.222 0.000 1.111 317 M CA 1.892 57.052 55.300 -0.234 0.000 1.070 317 M CB -1.288 30.968 32.600 -0.572 0.000 1.525 317 M HN -0.033 8.322 8.290 0.108 0.000 0.517 318 W N -3.767 117.562 121.300 0.048 0.000 2.714 318 W HA 0.097 nan 4.660 nan 0.000 0.353 318 W C -1.188 175.374 176.519 0.072 0.000 0.999 318 W CA -0.764 56.648 57.345 0.111 0.000 1.629 318 W CB 0.826 30.344 29.460 0.095 0.000 1.106 318 W HN -0.345 7.961 8.180 0.334 0.075 0.545 319 A N -0.626 122.328 122.820 0.223 0.000 2.299 319 A HA 0.454 nan 4.320 nan 0.000 0.332 319 A C -2.512 175.156 177.584 0.140 0.000 1.131 319 A CA -1.108 51.030 52.037 0.169 0.000 0.844 319 A CB 2.630 21.717 19.000 0.145 0.000 1.251 319 A HN -0.763 7.396 8.150 0.166 0.091 0.486 320 D N -1.214 119.261 120.400 0.125 0.000 2.192 320 D HA 0.279 nan 4.640 nan 0.000 0.246 320 D C -0.834 175.479 176.300 0.022 0.000 1.042 320 D CA -1.768 52.321 54.000 0.147 0.000 0.847 320 D CB 2.655 43.537 40.800 0.136 0.000 1.186 320 D HN 0.161 8.597 8.370 0.109 0.000 0.461 321 L N 4.739 125.852 121.223 -0.182 0.000 2.454 321 L HA -0.045 nan 4.340 nan 0.000 0.284 321 L C -0.150 176.554 176.870 -0.277 0.000 1.139 321 L CA 0.108 54.724 54.840 -0.372 0.000 0.911 321 L CB -0.370 41.191 42.059 -0.829 0.000 1.262 321 L HN -0.074 8.055 8.230 -0.170 0.000 0.453 322 L N 4.115 125.269 121.223 -0.114 0.000 2.179 322 L HA -0.077 nan 4.340 nan 0.000 0.208 322 L C 0.248 177.061 176.870 -0.095 0.000 1.096 322 L CA 1.530 56.324 54.840 -0.077 0.000 0.779 322 L CB 0.418 42.458 42.059 -0.032 0.000 0.922 322 L HN -0.193 8.001 8.230 -0.059 0.000 0.443 323 A N -4.471 118.293 122.820 -0.094 0.000 2.566 323 A HA 0.289 nan 4.320 nan 0.000 0.297 323 A C -2.436 175.103 177.584 -0.074 0.000 1.059 323 A CA -0.313 51.671 52.037 -0.089 0.000 0.691 323 A CB 2.873 21.839 19.000 -0.056 0.000 1.282 323 A HN -0.801 7.304 8.150 -0.076 0.000 0.401 324 L N 0.645 121.800 121.223 -0.114 0.000 2.434 324 L HA 0.926 nan 4.340 nan 0.000 0.260 324 L C -2.474 174.379 176.870 -0.030 0.000 0.983 324 L CA -0.721 54.071 54.840 -0.080 0.000 0.820 324 L CB 4.495 46.412 42.059 -0.237 0.000 1.361 324 L HN 0.265 8.403 8.230 -0.153 0.000 0.410 325 A N 2.508 125.426 122.820 0.164 0.000 2.581 325 A HA 0.903 nan 4.320 nan 0.000 0.290 325 A C -2.952 174.876 177.584 0.406 0.000 1.119 325 A CA -0.643 51.592 52.037 0.330 0.000 0.670 325 A CB 3.989 23.110 19.000 0.202 0.000 1.280 325 A HN 0.243 8.511 8.150 0.196 0.000 0.425 326 A N -3.371 119.671 122.820 0.370 0.000 2.572 326 A HA 0.915 nan 4.320 nan 0.000 0.295 326 A C -2.845 174.857 177.584 0.197 0.000 1.072 326 A CA -1.074 51.084 52.037 0.202 0.000 0.691 326 A CB 3.642 22.623 19.000 -0.032 0.000 1.291 326 A HN 0.619 9.005 8.150 0.394 0.000 0.404 327 A N 1.092 124.022 122.820 0.184 0.000 2.393 327 A HA 1.037 nan 4.320 nan 0.000 0.306 327 A C -2.688 175.012 177.584 0.192 0.000 1.050 327 A CA -1.252 50.902 52.037 0.196 0.000 0.724 327 A CB 3.048 22.142 19.000 0.156 0.000 1.248 327 A HN 0.394 8.665 8.150 0.202 0.000 0.424 328 R N 3.245 123.847 120.500 0.170 0.000 2.561 328 R HA 0.423 nan 4.340 nan 0.000 0.266 328 R C 0.433 176.804 176.300 0.120 0.000 1.091 328 R CA -0.814 55.369 56.100 0.137 0.000 0.927 328 R CB 3.139 33.467 30.300 0.046 0.000 1.240 328 R HN 0.791 9.179 8.270 0.197 0.000 0.449 329 G N 5.463 114.321 108.800 0.097 0.000 2.225 329 G HA2 -0.375 nan 3.960 nan 0.000 0.272 329 G HA3 -0.375 nan 3.960 nan 0.000 0.272 329 G C -0.508 174.427 174.900 0.058 0.000 0.996 329 G CA 1.160 46.302 45.100 0.070 0.000 0.710 329 G HN 0.727 9.182 8.290 0.111 -0.099 0.522 330 G N -3.905 104.931 108.800 0.061 0.000 2.231 330 G HA2 -0.274 nan 3.960 nan 0.000 0.206 330 G HA3 -0.274 nan 3.960 nan 0.000 0.206 330 G C -1.092 173.833 174.900 0.041 0.000 0.996 330 G CA -0.429 44.697 45.100 0.043 0.000 0.645 330 G HN 0.101 8.375 8.290 0.076 0.061 0.498 331 R N -2.702 117.833 120.500 0.058 0.000 2.873 331 R HA 0.883 nan 4.340 nan 0.000 0.264 331 R C -2.581 173.770 176.300 0.085 0.000 1.026 331 R CA -2.254 53.863 56.100 0.027 0.000 1.002 331 R CB 3.250 33.527 30.300 -0.037 0.000 1.174 331 R HN -0.282 7.937 8.270 0.085 0.103 0.488 332 V N -0.125 119.812 119.914 0.038 0.000 2.604 332 V HA 0.669 nan 4.120 nan 0.000 0.305 332 V C -2.372 173.765 176.094 0.072 0.000 1.043 332 V CA -2.468 59.916 62.300 0.139 0.000 0.888 332 V CB 3.481 35.359 31.823 0.093 0.000 0.995 332 V HN 0.707 8.773 8.190 -0.040 0.100 0.429 333 H N 7.936 127.071 119.070 0.107 0.000 2.466 333 H HA 0.640 nan 4.556 nan 0.000 0.338 333 H C -1.452 174.082 175.328 0.345 0.000 1.091 333 H CA -2.134 54.022 56.048 0.179 0.000 1.207 333 H CB 2.100 31.897 29.762 0.059 0.000 1.466 333 H HN 0.871 9.346 8.280 0.505 0.108 0.493 334 R N 3.427 124.172 120.500 0.409 0.000 2.589 334 R HA 0.574 nan 4.340 nan 0.000 0.293 334 R C -1.699 174.711 176.300 0.183 0.000 0.963 334 R CA -1.913 54.343 56.100 0.259 0.000 0.905 334 R CB 2.746 33.112 30.300 0.111 0.000 1.144 334 R HN -0.233 8.351 8.270 0.340 -0.110 0.459 335 A N 4.118 126.820 122.820 -0.196 0.000 2.409 335 A HA 0.261 nan 4.320 nan 0.000 0.262 335 A C -0.533 176.887 177.584 -0.273 0.000 1.113 335 A CA -2.098 49.576 52.037 -0.604 0.000 0.790 335 A CB -0.440 18.017 19.000 -0.906 0.000 1.046 335 A HN 0.311 8.350 8.150 -0.184 0.000 0.496 336 P HA -0.162 nan 4.420 nan 0.000 0.212 336 P C -1.071 176.142 177.300 -0.145 0.000 1.178 336 P CA 1.519 64.550 63.100 -0.114 0.000 0.915 336 P CB 0.425 32.089 31.700 -0.060 0.000 0.788 337 E N -3.267 116.821 120.200 -0.187 0.000 2.218 337 E HA 0.371 nan 4.350 nan 0.000 0.263 337 E C -1.805 174.665 176.600 -0.215 0.000 0.879 337 E CA -2.940 53.375 56.400 -0.141 0.000 0.762 337 E CB 1.293 30.955 29.700 -0.063 0.000 1.166 337 E HN -0.555 7.660 8.360 -0.241 0.000 0.415 338 P HA -0.131 nan 4.420 nan 0.000 0.215 338 P C 0.675 177.800 177.300 -0.292 0.000 1.157 338 P CA 2.133 65.020 63.100 -0.353 0.000 0.863 338 P CB 0.335 31.795 31.700 -0.399 0.000 0.787 339 Y N -4.338 115.883 120.300 -0.132 0.000 2.200 339 Y HA -0.344 nan 4.550 nan 0.000 0.290 339 Y C 2.370 178.217 175.900 -0.087 0.000 1.137 339 Y CA 3.268 61.308 58.100 -0.100 0.000 1.163 339 Y CB -0.417 37.997 38.460 -0.077 0.000 0.988 339 Y HN -0.742 7.636 8.280 -0.073 -0.142 0.518 340 K N -1.422 119.018 120.400 0.068 0.000 2.155 340 K HA -0.297 nan 4.320 nan 0.000 0.203 340 K C 2.361 178.963 176.600 0.005 0.000 1.052 340 K CA 2.427 58.730 56.287 0.028 0.000 0.948 340 K CB -0.151 32.355 32.500 0.009 0.000 0.728 340 K HN -0.635 7.850 8.250 0.056 -0.201 0.448 341 A N 0.283 123.035 122.820 -0.113 0.000 1.972 341 A HA -0.191 nan 4.320 nan 0.000 0.219 341 A C 2.201 179.839 177.584 0.090 0.000 1.169 341 A CA 2.703 54.636 52.037 -0.173 0.000 0.635 341 A CB -0.808 17.704 19.000 -0.813 0.000 0.810 341 A HN -0.351 7.609 8.150 -0.173 0.086 0.446 342 L N -0.858 120.370 121.223 0.008 0.000 2.043 342 L HA -0.339 nan 4.340 nan 0.000 0.212 342 L C 1.832 178.755 176.870 0.087 0.000 1.075 342 L CA 3.013 57.880 54.840 0.044 0.000 0.752 342 L CB -0.339 41.724 42.059 0.007 0.000 0.891 342 L HN -0.250 7.926 8.230 -0.059 0.018 0.432 343 R N -3.044 117.507 120.500 0.084 0.000 2.328 343 R HA -0.263 nan 4.340 nan 0.000 0.207 343 R C 0.820 177.171 176.300 0.084 0.000 1.056 343 R CA 2.178 58.319 56.100 0.069 0.000 1.016 343 R CB -0.398 29.936 30.300 0.056 0.000 0.872 343 R HN -0.674 7.628 8.270 0.078 0.015 0.471 344 D N -2.936 117.556 120.400 0.153 0.000 2.327 344 D HA 0.056 nan 4.640 nan 0.000 0.205 344 D C 0.275 176.595 176.300 0.033 0.000 0.989 344 D CA 1.047 55.116 54.000 0.115 0.000 0.873 344 D CB 1.191 42.120 40.800 0.216 0.000 0.955 344 D HN -0.415 7.911 8.370 0.225 0.180 0.515 345 L N -0.065 121.200 121.223 0.070 0.000 2.349 345 L HA -0.006 nan 4.340 nan 0.000 0.275 345 L C 0.637 177.488 176.870 -0.031 0.000 1.115 345 L CA 0.327 55.166 54.840 -0.003 0.000 0.820 345 L CB 0.642 42.729 42.059 0.046 0.000 1.135 345 L HN -0.514 7.754 8.230 0.129 0.039 0.445 346 K N 2.116 122.473 120.400 -0.071 0.000 2.400 346 K HA -0.148 nan 4.320 nan 0.000 0.194 346 K C -1.081 175.475 176.600 -0.074 0.000 1.033 346 K CA 0.787 57.032 56.287 -0.070 0.000 1.021 346 K CB 0.676 33.124 32.500 -0.087 0.000 0.808 346 K HN 0.461 8.651 8.250 -0.100 0.000 0.505 347 E N -4.638 115.510 120.200 -0.086 0.000 2.389 347 E HA 0.130 nan 4.350 nan 0.000 0.281 347 E C -2.154 174.388 176.600 -0.096 0.000 1.072 347 E CA -0.329 56.013 56.400 -0.096 0.000 0.845 347 E CB 3.178 32.803 29.700 -0.124 0.000 1.239 347 E HN -0.885 7.376 8.360 -0.084 0.049 0.434 348 A N 3.420 126.190 122.820 -0.082 0.000 2.271 348 A HA 0.418 nan 4.320 nan 0.000 0.317 348 A C -2.254 175.294 177.584 -0.060 0.000 1.245 348 A CA -0.916 51.089 52.037 -0.053 0.000 0.857 348 A CB 1.821 20.794 19.000 -0.045 0.000 1.175 348 A HN 0.827 8.928 8.150 -0.082 0.000 0.512 349 R N 4.273 124.725 120.500 -0.080 0.000 2.514 349 R HA 0.725 nan 4.340 nan 0.000 0.296 349 R C -1.331 174.982 176.300 0.022 0.000 1.012 349 R CA -1.331 54.686 56.100 -0.138 0.000 0.897 349 R CB 2.197 32.259 30.300 -0.397 0.000 1.184 349 R HN 0.487 8.718 8.270 -0.065 0.000 0.440 350 G N 4.550 113.457 108.800 0.178 0.000 2.361 350 G HA2 -0.072 nan 3.960 nan 0.000 0.331 350 G HA3 -0.072 nan 3.960 nan 0.000 0.331 350 G C -3.160 171.885 174.900 0.242 0.000 1.324 350 G CA -0.118 45.175 45.100 0.322 0.000 0.984 350 G HN 0.565 8.936 8.290 0.135 0.000 0.586 351 L N 1.569 122.917 121.223 0.207 0.000 2.540 351 L HA -0.281 nan 4.340 nan 0.000 0.276 351 L C 0.490 177.468 176.870 0.181 0.000 1.212 351 L CA 1.660 56.589 54.840 0.149 0.000 0.893 351 L CB 0.096 42.218 42.059 0.105 0.000 1.138 351 L HN -0.211 8.143 8.230 0.207 0.000 0.491 352 L N -0.659 120.662 121.223 0.164 0.000 3.717 352 L HA -0.409 nan 4.340 nan 0.000 0.414 352 L C 1.086 178.152 176.870 0.326 0.000 1.228 352 L CA 0.270 55.246 54.840 0.226 0.000 0.918 352 L CB -2.395 39.812 42.059 0.247 0.000 1.865 352 L HN 0.104 8.625 8.230 0.116 -0.222 0.922 353 A N 0.246 123.203 122.820 0.228 0.000 1.958 353 A HA -0.493 nan 4.320 nan 0.000 0.221 353 A C 1.053 178.670 177.584 0.055 0.000 1.178 353 A CA 3.322 55.449 52.037 0.150 0.000 0.642 353 A CB -0.650 18.399 19.000 0.082 0.000 0.816 353 A HN -0.037 8.337 8.150 0.194 -0.107 0.453 354 K N -2.284 118.147 120.400 0.052 0.000 2.097 354 K HA -0.290 nan 4.320 nan 0.000 0.206 354 K C 1.681 178.277 176.600 -0.006 0.000 1.049 354 K CA 2.816 59.104 56.287 0.002 0.000 0.933 354 K CB -0.337 32.170 32.500 0.012 0.000 0.717 354 K HN -0.121 8.162 8.250 0.076 0.012 0.442 355 D N -1.533 118.904 120.400 0.062 0.000 2.264 355 D HA -0.163 nan 4.640 nan 0.000 0.208 355 D C 2.095 178.291 176.300 -0.174 0.000 0.966 355 D CA 2.797 56.821 54.000 0.040 0.000 0.864 355 D CB -0.289 40.647 40.800 0.227 0.000 0.933 355 D HN -0.200 8.157 8.370 0.144 0.100 0.499 356 L N -0.337 120.678 121.223 -0.347 0.000 2.168 356 L HA -0.032 nan 4.340 nan 0.000 0.203 356 L C 0.999 177.705 176.870 -0.275 0.000 1.078 356 L CA 2.293 56.806 54.840 -0.545 0.000 0.780 356 L CB 0.283 41.939 42.059 -0.672 0.000 0.939 356 L HN -0.774 7.204 8.230 -0.189 0.139 0.451 357 S N 0.551 116.140 115.700 -0.185 0.000 2.402 357 S HA -0.427 nan 4.470 nan 0.000 0.233 357 S C 2.470 176.971 174.600 -0.164 0.000 1.030 357 S CA 3.948 62.051 58.200 -0.162 0.000 1.003 357 S CB -0.417 62.691 63.200 -0.153 0.000 0.813 357 S HN -0.282 7.935 8.310 -0.154 0.000 0.477 358 V N 1.807 121.635 119.914 -0.142 0.000 2.223 358 V HA -0.347 nan 4.120 nan 0.000 0.244 358 V C 1.686 177.698 176.094 -0.136 0.000 1.045 358 V CA 3.730 65.955 62.300 -0.124 0.000 1.000 358 V CB -1.039 30.738 31.823 -0.076 0.000 0.635 358 V HN -0.261 7.845 8.190 -0.128 0.008 0.445 359 L N 0.105 121.248 121.223 -0.133 0.000 1.978 359 L HA -0.462 nan 4.340 nan 0.000 0.218 359 L C 1.787 178.606 176.870 -0.086 0.000 1.075 359 L CA 3.195 57.971 54.840 -0.108 0.000 0.767 359 L CB -1.610 40.362 42.059 -0.145 0.000 0.890 359 L HN -0.817 7.329 8.230 -0.142 0.000 0.434 360 A N -2.939 119.817 122.820 -0.107 0.000 2.076 360 A HA -0.310 nan 4.320 nan 0.000 0.220 360 A C 2.008 179.546 177.584 -0.078 0.000 1.160 360 A CA 2.898 54.889 52.037 -0.077 0.000 0.653 360 A CB -0.732 18.212 19.000 -0.094 0.000 0.801 360 A HN 0.274 8.334 8.150 -0.150 0.000 0.455 361 L N -3.036 118.123 121.223 -0.108 0.000 2.375 361 L HA -0.236 nan 4.340 nan 0.000 0.215 361 L C 1.829 178.643 176.870 -0.093 0.000 1.108 361 L CA 1.851 56.630 54.840 -0.102 0.000 0.830 361 L CB -0.149 41.824 42.059 -0.143 0.000 0.959 361 L HN -0.435 7.574 8.230 -0.128 0.144 0.457 362 R N 0.290 120.720 120.500 -0.117 0.000 2.070 362 R HA -0.291 nan 4.340 nan 0.000 0.233 362 R C 1.961 178.204 176.300 -0.093 0.000 1.137 362 R CA 2.899 58.916 56.100 -0.138 0.000 0.945 362 R CB 0.140 30.340 30.300 -0.167 0.000 0.845 362 R HN -0.324 7.778 8.270 -0.123 0.094 0.430 363 E N -4.290 115.870 120.200 -0.067 0.000 2.265 363 E HA -0.145 nan 4.350 nan 0.000 0.196 363 E C 0.660 177.232 176.600 -0.046 0.000 0.996 363 E CA 0.713 57.080 56.400 -0.056 0.000 0.832 363 E CB 0.220 29.913 29.700 -0.013 0.000 0.756 363 E HN -0.507 7.820 8.360 -0.056 0.000 0.491 364 G N -2.497 106.279 108.800 -0.041 0.000 2.141 364 G HA2 -0.365 nan 3.960 nan 0.000 0.164 364 G HA3 -0.365 nan 3.960 nan 0.000 0.164 364 G C -0.860 174.031 174.900 -0.016 0.000 1.009 364 G CA -0.211 44.872 45.100 -0.027 0.000 0.677 364 G HN -0.491 7.640 8.290 -0.048 0.131 0.508 365 L N 0.584 121.795 121.223 -0.021 0.000 2.317 365 L HA 0.258 nan 4.340 nan 0.000 0.281 365 L C 0.412 177.271 176.870 -0.019 0.000 1.024 365 L CA -0.851 53.980 54.840 -0.014 0.000 0.810 365 L CB 0.974 43.025 42.059 -0.013 0.000 1.240 365 L HN -0.101 8.110 8.230 -0.031 0.000 0.427 366 G N 3.454 112.252 108.800 -0.003 0.000 3.343 366 G HA2 0.003 nan 3.960 nan 0.000 0.279 366 G HA3 0.003 nan 3.960 nan 0.000 0.279 366 G C -1.029 173.863 174.900 -0.013 0.000 0.919 366 G CA 0.082 45.187 45.100 0.007 0.000 1.812 366 G HN 0.291 8.581 8.290 0.001 0.000 0.584 367 L N 4.380 125.577 121.223 -0.043 0.000 2.302 367 L HA 0.338 nan 4.340 nan 0.000 0.285 367 L C -1.762 175.066 176.870 -0.070 0.000 1.090 367 L CA -3.938 50.870 54.840 -0.053 0.000 0.866 367 L CB 0.765 42.788 42.059 -0.061 0.000 1.244 367 L HN -0.472 7.677 8.230 -0.058 0.046 0.435 368 P HA 0.343 nan 4.420 nan 0.000 0.272 368 P C -2.346 174.908 177.300 -0.078 0.000 1.223 368 P CA -1.843 61.220 63.100 -0.062 0.000 0.784 368 P CB -0.637 31.040 31.700 -0.038 0.000 0.923 369 P HA 0.414 nan 4.420 nan 0.000 0.281 369 P C -1.310 175.944 177.300 -0.076 0.000 1.249 369 P CA -1.048 62.011 63.100 -0.068 0.000 0.810 369 P CB 1.115 32.780 31.700 -0.058 0.000 1.008 370 G N 0.966 109.722 108.800 -0.072 0.000 3.247 370 G HA2 0.189 nan 3.960 nan 0.000 0.199 370 G HA3 0.189 nan 3.960 nan 0.000 0.199 370 G C -1.565 173.311 174.900 -0.041 0.000 1.172 370 G CA -1.066 43.976 45.100 -0.096 0.000 0.844 370 G HN 0.278 8.538 8.290 -0.050 0.000 0.619 371 D N 1.009 121.371 120.400 -0.062 0.000 2.586 371 D HA -0.204 nan 4.640 nan 0.000 0.234 371 D C -1.519 174.879 176.300 0.163 0.000 1.132 371 D CA 1.798 55.852 54.000 0.090 0.000 0.860 371 D CB 0.197 40.843 40.800 -0.257 0.000 1.159 371 D HN 0.053 8.327 8.370 -0.160 0.000 0.490 372 D N 3.450 124.050 120.400 0.334 0.000 2.476 372 D HA 0.434 nan 4.640 nan 0.000 0.251 372 D C -1.049 175.437 176.300 0.309 0.000 1.291 372 D CA -3.100 51.065 54.000 0.275 0.000 0.939 372 D CB 2.334 43.254 40.800 0.200 0.000 1.221 372 D HN -0.585 8.086 8.370 0.501 0.000 0.567 373 P HA -0.269 nan 4.420 nan 0.000 0.217 373 P C 0.945 178.295 177.300 0.083 0.000 1.148 373 P CA 2.190 65.396 63.100 0.177 0.000 0.834 373 P CB 0.370 32.151 31.700 0.135 0.000 0.783 374 M N -2.484 117.170 119.600 0.089 0.000 2.144 374 M HA -0.338 nan 4.480 nan 0.000 0.260 374 M C 1.954 178.315 176.300 0.102 0.000 1.067 374 M CA 2.964 58.298 55.300 0.057 0.000 1.095 374 M CB -0.434 32.182 32.600 0.027 0.000 1.365 374 M HN -0.728 7.764 8.290 0.107 -0.138 0.406 375 L N -3.608 117.714 121.223 0.165 0.000 2.240 375 L HA -0.228 nan 4.340 nan 0.000 0.211 375 L C 2.092 179.086 176.870 0.208 0.000 1.106 375 L CA 2.180 57.174 54.840 0.257 0.000 0.793 375 L CB -0.886 41.426 42.059 0.422 0.000 0.927 375 L HN 0.070 8.285 8.230 0.187 0.128 0.446 376 L N -0.178 121.072 121.223 0.044 0.000 2.023 376 L HA -0.263 nan 4.340 nan 0.000 0.205 376 L C 2.011 178.836 176.870 -0.075 0.000 1.073 376 L CA 2.346 57.113 54.840 -0.122 0.000 0.745 376 L CB -1.678 40.247 42.059 -0.222 0.000 0.900 376 L HN -0.260 7.891 8.230 0.071 0.121 0.435 377 A N -1.045 121.730 122.820 -0.076 0.000 2.019 377 A HA -0.300 nan 4.320 nan 0.000 0.219 377 A C 2.168 179.815 177.584 0.105 0.000 1.164 377 A CA 3.034 55.028 52.037 -0.072 0.000 0.644 377 A CB -0.848 18.121 19.000 -0.051 0.000 0.805 377 A HN 0.325 8.437 8.150 -0.062 0.000 0.449 378 Y N -1.160 119.147 120.300 0.012 0.000 2.220 378 Y HA -0.269 nan 4.550 nan 0.000 0.291 378 Y C 1.039 176.969 175.900 0.050 0.000 1.129 378 Y CA 2.900 61.027 58.100 0.044 0.000 1.161 378 Y CB 0.223 38.718 38.460 0.057 0.000 0.997 378 Y HN -0.532 7.886 8.280 0.252 0.013 0.522 379 L N -2.993 118.288 121.223 0.095 0.000 2.093 379 L HA -0.342 nan 4.340 nan 0.000 0.208 379 L C 1.605 178.457 176.870 -0.030 0.000 1.085 379 L CA 2.377 57.218 54.840 0.001 0.000 0.755 379 L CB 0.032 42.127 42.059 0.061 0.000 0.904 379 L HN -0.773 7.569 8.230 0.186 0.000 0.435 380 L N -4.667 116.541 121.223 -0.026 0.000 2.012 380 L HA -0.321 nan 4.340 nan 0.000 0.210 380 L C -0.272 176.610 176.870 0.021 0.000 1.073 380 L CA 2.764 57.590 54.840 -0.024 0.000 0.748 380 L CB 0.616 42.646 42.059 -0.047 0.000 0.891 380 L HN -0.436 7.780 8.230 -0.023 0.000 0.431 381 D N -5.805 114.603 120.400 0.015 0.000 2.548 381 D HA 0.251 nan 4.640 nan 0.000 0.214 381 D C -2.354 173.941 176.300 -0.007 0.000 1.345 381 D CA -1.999 52.017 54.000 0.027 0.000 0.945 381 D CB 1.943 42.708 40.800 -0.059 0.000 1.499 381 D HN -0.759 7.622 8.370 0.018 0.000 0.579 382 P HA 0.021 nan 4.420 nan 0.000 0.239 382 P C -0.194 177.157 177.300 0.085 0.000 1.184 382 P CA 0.718 63.679 63.100 -0.232 0.000 0.760 382 P CB -0.162 31.281 31.700 -0.428 0.000 0.884 383 S N -1.456 114.296 115.700 0.087 0.000 2.603 383 S HA -0.170 nan 4.470 nan 0.000 0.220 383 S C 0.464 175.131 174.600 0.111 0.000 0.967 383 S CA 0.472 58.730 58.200 0.097 0.000 0.920 383 S CB 0.153 63.386 63.200 0.054 0.000 0.773 383 S HN -0.566 7.935 8.310 0.061 -0.154 0.529 384 N N 4.160 122.954 118.700 0.156 0.000 2.448 384 N HA -0.031 nan 4.740 nan 0.000 0.250 384 N C -0.365 175.249 175.510 0.174 0.000 1.136 384 N CA 0.879 54.023 53.050 0.156 0.000 0.953 384 N CB -0.291 38.318 38.487 0.204 0.000 1.251 384 N HN -0.533 7.875 8.380 0.173 0.075 0.502 385 T N -3.040 111.564 114.554 0.084 0.000 2.978 385 T HA 0.198 nan 4.350 nan 0.000 0.248 385 T C -0.491 174.178 174.700 -0.052 0.000 1.018 385 T CA 0.580 62.697 62.100 0.028 0.000 1.026 385 T CB 1.258 70.152 68.868 0.045 0.000 1.032 385 T HN -0.195 8.079 8.240 0.057 0.000 0.485 386 T N -1.437 113.073 114.554 -0.074 0.000 2.856 386 T HA 0.591 nan 4.350 nan 0.000 0.283 386 T C -0.600 173.957 174.700 -0.239 0.000 1.008 386 T CA -3.699 58.306 62.100 -0.160 0.000 0.997 386 T CB 1.739 70.520 68.868 -0.145 0.000 0.992 386 T HN -0.656 7.558 8.240 -0.044 0.000 0.454 387 P HA -0.073 nan 4.420 nan 0.000 0.221 387 P C 1.323 178.293 177.300 -0.550 0.000 1.145 387 P CA 2.221 64.979 63.100 -0.570 0.000 0.795 387 P CB 0.144 31.270 31.700 -0.957 0.000 0.775 388 E N -1.387 118.501 120.200 -0.519 0.000 2.107 388 E HA -0.193 nan 4.350 nan 0.000 0.191 388 E C 2.375 178.918 176.600 -0.095 0.000 0.982 388 E CA 3.721 59.995 56.400 -0.211 0.000 0.809 388 E CB -1.084 28.550 29.700 -0.109 0.000 0.756 388 E HN 0.527 8.500 8.360 -0.564 0.048 0.459 389 G N 0.030 108.766 108.800 -0.106 0.000 2.414 389 G HA2 -0.282 nan 3.960 nan 0.000 0.215 389 G HA3 -0.282 nan 3.960 nan 0.000 0.215 389 G C 1.200 176.084 174.900 -0.026 0.000 1.188 389 G CA 1.904 46.972 45.100 -0.052 0.000 0.783 389 G HN -0.353 7.743 8.290 -0.149 0.104 0.537 390 V N 3.104 123.017 119.914 -0.003 0.000 2.332 390 V HA -0.415 nan 4.120 nan 0.000 0.248 390 V C 2.035 178.205 176.094 0.126 0.000 1.055 390 V CA 3.648 66.020 62.300 0.120 0.000 1.038 390 V CB -0.982 30.897 31.823 0.094 0.000 0.651 390 V HN -0.194 7.965 8.190 -0.052 0.000 0.450 391 A N -0.473 122.375 122.820 0.047 0.000 1.873 391 A HA -0.367 nan 4.320 nan 0.000 0.218 391 A C 1.215 178.827 177.584 0.046 0.000 1.193 391 A CA 3.385 55.467 52.037 0.075 0.000 0.629 391 A CB -0.655 18.409 19.000 0.107 0.000 0.826 391 A HN 0.126 8.156 8.150 -0.022 0.107 0.447 392 R N -3.912 116.594 120.500 0.009 0.000 2.120 392 R HA -0.234 nan 4.340 nan 0.000 0.234 392 R C 2.827 179.072 176.300 -0.092 0.000 1.123 392 R CA 2.564 58.649 56.100 -0.026 0.000 0.975 392 R CB 0.065 30.347 30.300 -0.030 0.000 0.866 392 R HN -0.642 7.632 8.270 0.006 0.000 0.446 393 R N -1.501 118.897 120.500 -0.170 0.000 2.057 393 R HA -0.096 nan 4.340 nan 0.000 0.224 393 R C 1.480 177.497 176.300 -0.472 0.000 1.136 393 R CA 2.501 58.356 56.100 -0.409 0.000 0.968 393 R CB 0.864 30.752 30.300 -0.687 0.000 0.863 393 R HN -0.569 7.543 8.270 -0.113 0.090 0.433 394 Y N -2.534 117.749 120.300 -0.028 0.000 2.718 394 Y HA 0.025 nan 4.550 nan 0.000 0.322 394 Y C -0.768 175.121 175.900 -0.018 0.000 1.122 394 Y CA -0.562 57.521 58.100 -0.028 0.000 1.348 394 Y CB -0.600 37.841 38.460 -0.033 0.000 1.174 394 Y HN -0.343 7.944 8.280 0.011 0.000 0.523 395 G N -1.326 107.509 108.800 0.058 0.000 3.450 395 G HA2 -0.298 nan 3.960 nan 0.000 0.668 395 G HA3 -0.298 nan 3.960 nan 0.000 0.668 395 G C -1.649 173.288 174.900 0.062 0.000 0.941 395 G CA -0.002 45.126 45.100 0.046 0.000 0.766 395 G HN -0.395 7.811 8.290 -0.001 0.083 0.451 396 G N 0.632 109.462 108.800 0.051 0.000 2.350 396 G HA2 -0.074 nan 3.960 nan 0.000 0.304 396 G HA3 -0.074 nan 3.960 nan 0.000 0.304 396 G C -2.835 172.112 174.900 0.077 0.000 1.421 396 G CA -0.108 45.033 45.100 0.068 0.000 0.934 396 G HN -0.570 7.742 8.290 0.037 0.000 0.632 397 E N -0.210 120.048 120.200 0.095 0.000 2.281 397 E HA 0.130 nan 4.350 nan 0.000 0.266 397 E C -1.501 175.199 176.600 0.167 0.000 0.893 397 E CA -1.033 55.433 56.400 0.109 0.000 0.798 397 E CB 2.470 32.205 29.700 0.058 0.000 1.245 397 E HN 0.036 8.451 8.360 0.093 0.000 0.410 398 W N 5.342 126.635 121.300 -0.012 0.000 2.338 398 W HA 0.195 nan 4.660 nan 0.000 0.307 398 W C -1.450 175.053 176.519 -0.026 0.000 1.167 398 W CA -0.155 57.176 57.345 -0.023 0.000 1.208 398 W CB 0.704 30.150 29.460 -0.024 0.000 1.228 398 W HN -0.038 8.344 8.180 0.337 0.000 0.499 399 T N 6.790 121.104 114.554 -0.401 0.000 2.887 399 T HA 0.144 nan 4.350 nan 0.000 0.292 399 T C -0.498 173.846 174.700 -0.594 0.000 1.087 399 T CA -1.692 60.176 62.100 -0.386 0.000 1.009 399 T CB 2.672 71.430 68.868 -0.185 0.000 1.203 399 T HN -0.003 7.921 8.240 -0.527 0.000 0.518 400 E N 0.021 119.976 120.200 -0.408 0.000 2.335 400 E HA -0.155 nan 4.350 nan 0.000 0.191 400 E C -1.243 175.203 176.600 -0.258 0.000 1.150 400 E CA 0.310 56.491 56.400 -0.366 0.000 1.001 400 E CB -0.684 28.874 29.700 -0.237 0.000 1.127 400 E HN 0.248 8.436 8.360 -0.287 0.000 0.462 401 E N -0.175 119.880 120.200 -0.241 0.000 2.191 401 E HA 0.169 nan 4.350 nan 0.000 0.263 401 E C -0.822 175.698 176.600 -0.134 0.000 0.881 401 E CA -1.350 54.962 56.400 -0.147 0.000 0.757 401 E CB 1.802 31.439 29.700 -0.105 0.000 1.147 401 E HN -0.832 7.273 8.360 -0.303 0.072 0.414 402 A N 7.854 130.620 122.820 -0.089 0.000 1.859 402 A HA -0.264 nan 4.320 nan 0.000 0.217 402 A C 1.577 179.161 177.584 -0.000 0.000 1.198 402 A CA 3.336 55.346 52.037 -0.045 0.000 0.629 402 A CB -0.445 18.554 19.000 -0.001 0.000 0.830 402 A HN 0.862 8.965 8.150 -0.078 0.000 0.446 403 G N -2.639 106.176 108.800 0.025 0.000 2.469 403 G HA2 -0.401 nan 3.960 nan 0.000 0.220 403 G HA3 -0.401 nan 3.960 nan 0.000 0.220 403 G C 1.397 176.316 174.900 0.031 0.000 1.136 403 G CA 2.112 47.246 45.100 0.056 0.000 0.759 403 G HN -0.161 8.256 8.290 0.019 -0.115 0.562 404 E N 1.903 122.097 120.200 -0.010 0.000 2.072 404 E HA -0.318 nan 4.350 nan 0.000 0.191 404 E C 2.623 179.207 176.600 -0.026 0.000 0.985 404 E CA 3.201 59.586 56.400 -0.025 0.000 0.801 404 E CB -0.305 29.358 29.700 -0.060 0.000 0.750 404 E HN -0.670 7.747 8.360 -0.027 -0.073 0.452 405 R N -1.467 118.997 120.500 -0.061 0.000 2.189 405 R HA -0.225 nan 4.340 nan 0.000 0.223 405 R C 2.319 178.648 176.300 0.049 0.000 1.092 405 R CA 2.855 58.934 56.100 -0.035 0.000 0.989 405 R CB -0.210 30.009 30.300 -0.134 0.000 0.876 405 R HN -0.120 8.007 8.270 -0.090 0.089 0.457 406 A N -0.518 122.340 122.820 0.064 0.000 1.898 406 A HA -0.043 nan 4.320 nan 0.000 0.214 406 A C 1.612 179.244 177.584 0.080 0.000 1.183 406 A CA 2.730 54.837 52.037 0.117 0.000 0.622 406 A CB -0.841 18.249 19.000 0.150 0.000 0.824 406 A HN 0.024 8.070 8.150 0.045 0.130 0.444 407 A N -0.765 122.085 122.820 0.050 0.000 1.898 407 A HA -0.213 nan 4.320 nan 0.000 0.216 407 A C 1.577 179.151 177.584 -0.016 0.000 1.181 407 A CA 2.896 54.943 52.037 0.017 0.000 0.620 407 A CB -0.656 18.358 19.000 0.023 0.000 0.819 407 A HN -0.119 8.062 8.150 0.052 0.000 0.442 408 L N -2.165 119.068 121.223 0.017 0.000 2.017 408 L HA -0.385 nan 4.340 nan 0.000 0.208 408 L C 1.820 178.690 176.870 -0.000 0.000 1.073 408 L CA 2.979 57.838 54.840 0.032 0.000 0.745 408 L CB -0.337 41.781 42.059 0.098 0.000 0.894 408 L HN -0.301 7.948 8.230 0.031 0.000 0.432 409 S N -0.912 114.793 115.700 0.010 0.000 2.365 409 S HA -0.501 nan 4.470 nan 0.000 0.225 409 S C 1.972 176.365 174.600 -0.346 0.000 1.039 409 S CA 4.572 62.757 58.200 -0.026 0.000 1.033 409 S CB -0.438 62.833 63.200 0.117 0.000 0.887 409 S HN -0.271 8.072 8.310 0.056 0.000 0.447 410 E N 1.383 121.230 120.200 -0.588 0.000 2.031 410 E HA -0.391 nan 4.350 nan 0.000 0.193 410 E C 2.169 178.506 176.600 -0.439 0.000 0.994 410 E CA 3.021 58.812 56.400 -1.016 0.000 0.800 410 E CB -0.109 29.268 29.700 -0.539 0.000 0.752 410 E HN -0.552 7.621 8.360 -0.312 0.000 0.447 411 R N -1.439 118.940 120.500 -0.202 0.000 2.080 411 R HA -0.315 nan 4.340 nan 0.000 0.236 411 R C 2.768 179.030 176.300 -0.064 0.000 1.137 411 R CA 3.368 59.415 56.100 -0.090 0.000 0.943 411 R CB -0.071 30.206 30.300 -0.038 0.000 0.846 411 R HN -0.265 7.901 8.270 -0.173 0.000 0.431 412 L N -1.520 119.672 121.223 -0.052 0.000 2.042 412 L HA -0.402 nan 4.340 nan 0.000 0.210 412 L C 2.021 178.866 176.870 -0.043 0.000 1.076 412 L CA 2.937 57.757 54.840 -0.034 0.000 0.749 412 L CB -0.341 41.717 42.059 -0.002 0.000 0.893 412 L HN -0.121 8.075 8.230 -0.057 0.000 0.432 413 F N 0.099 119.954 119.950 -0.158 0.000 2.095 413 F HA -0.543 nan 4.527 nan 0.000 0.298 413 F C 1.156 176.945 175.800 -0.018 0.000 1.104 413 F CA 3.867 61.817 58.000 -0.083 0.000 1.232 413 F CB -0.101 38.847 39.000 -0.087 0.000 0.987 413 F HN 0.014 8.318 8.300 0.007 0.000 0.475 414 A N -1.735 121.083 122.820 -0.003 0.000 1.898 414 A HA -0.428 nan 4.320 nan 0.000 0.216 414 A C 1.953 179.499 177.584 -0.063 0.000 1.181 414 A CA 3.129 55.161 52.037 -0.008 0.000 0.620 414 A CB -0.974 18.058 19.000 0.054 0.000 0.819 414 A HN -0.167 8.004 8.150 0.034 0.000 0.442 415 N N -0.442 118.213 118.700 -0.075 0.000 2.039 415 N HA -0.253 nan 4.740 nan 0.000 0.193 415 N C 2.077 177.497 175.510 -0.150 0.000 1.044 415 N CA 2.930 55.934 53.050 -0.077 0.000 0.847 415 N CB -0.203 38.255 38.487 -0.047 0.000 1.030 415 N HN -0.302 8.040 8.380 -0.063 0.000 0.422 416 L N -0.288 120.793 121.223 -0.235 0.000 2.083 416 L HA -0.252 nan 4.340 nan 0.000 0.209 416 L C 2.012 178.712 176.870 -0.284 0.000 1.083 416 L CA 3.532 58.181 54.840 -0.318 0.000 0.752 416 L CB -0.400 41.441 42.059 -0.364 0.000 0.899 416 L HN 0.088 8.187 8.230 -0.219 0.000 0.433 417 W N -0.975 119.989 121.300 -0.561 0.000 2.467 417 W HA -0.269 nan 4.660 nan 0.000 0.275 417 W C 1.486 177.825 176.519 -0.300 0.000 1.239 417 W CA 2.372 59.391 57.345 -0.543 0.000 1.266 417 W CB 0.398 29.366 29.460 -0.819 0.000 1.112 417 W HN 0.414 8.391 8.180 -0.339 0.000 0.576 418 G N -0.930 107.779 108.800 -0.152 0.000 2.511 418 G HA2 -0.495 nan 3.960 nan 0.000 0.216 418 G HA3 -0.495 nan 3.960 nan 0.000 0.216 418 G C 1.068 175.839 174.900 -0.215 0.000 1.218 418 G CA 1.798 46.810 45.100 -0.147 0.000 0.788 418 G HN -0.349 7.778 8.290 -0.104 0.101 0.560 419 R N 0.509 120.894 120.500 -0.191 0.000 2.133 419 R HA -0.337 nan 4.340 nan 0.000 0.247 419 R C 2.143 178.303 176.300 -0.234 0.000 1.151 419 R CA 2.669 58.662 56.100 -0.177 0.000 0.971 419 R CB -0.234 29.969 30.300 -0.161 0.000 0.866 419 R HN -0.530 7.638 8.270 -0.170 0.000 0.447 420 L N -2.680 118.329 121.223 -0.356 0.000 2.298 420 L HA -0.003 nan 4.340 nan 0.000 0.209 420 L C 1.542 178.093 176.870 -0.531 0.000 1.084 420 L CA 2.146 56.731 54.840 -0.426 0.000 0.816 420 L CB 0.444 42.212 42.059 -0.484 0.000 0.967 420 L HN -0.424 7.457 8.230 -0.388 0.117 0.460 421 E N 0.470 120.235 120.200 -0.726 0.000 2.331 421 E HA -0.294 nan 4.350 nan 0.000 0.199 421 E C 1.642 178.079 176.600 -0.272 0.000 1.008 421 E CA 2.823 58.883 56.400 -0.567 0.000 0.843 421 E CB -0.486 28.909 29.700 -0.508 0.000 0.761 421 E HN -0.502 7.346 8.360 -0.853 0.000 0.507 422 G N -2.969 105.703 108.800 -0.214 0.000 3.124 422 G HA2 -0.076 nan 3.960 nan 0.000 0.212 422 G HA3 -0.076 nan 3.960 nan 0.000 0.212 422 G C -0.618 174.227 174.900 -0.092 0.000 1.181 422 G CA -0.175 44.852 45.100 -0.121 0.000 0.803 422 G HN -0.004 8.092 8.290 -0.251 0.044 0.529 423 E N 0.707 120.841 120.200 -0.111 0.000 2.489 423 E HA 0.294 nan 4.350 nan 0.000 0.232 423 E C -1.061 175.522 176.600 -0.028 0.000 0.990 423 E CA -1.318 55.042 56.400 -0.065 0.000 0.768 423 E CB -0.174 29.477 29.700 -0.082 0.000 1.270 423 E HN -0.317 7.860 8.360 -0.166 0.083 0.423 424 E N 5.534 125.735 120.200 0.003 0.000 2.068 424 E HA -0.492 nan 4.350 nan 0.000 0.207 424 E C 1.098 177.757 176.600 0.099 0.000 1.032 424 E CA 4.081 60.509 56.400 0.046 0.000 0.839 424 E CB -0.178 29.541 29.700 0.032 0.000 0.758 424 E HN 0.477 8.834 8.360 -0.005 0.000 0.457 425 R N -2.287 118.262 120.500 0.081 0.000 2.081 425 R HA -0.211 nan 4.340 nan 0.000 0.235 425 R C 2.793 179.205 176.300 0.187 0.000 1.131 425 R CA 2.308 58.486 56.100 0.129 0.000 0.960 425 R CB -1.362 28.993 30.300 0.092 0.000 0.856 425 R HN 0.380 8.679 8.270 0.050 0.000 0.436 426 L N -0.996 120.290 121.223 0.106 0.000 2.156 426 L HA -0.130 nan 4.340 nan 0.000 0.208 426 L C 2.439 179.383 176.870 0.124 0.000 1.095 426 L CA 2.407 57.302 54.840 0.091 0.000 0.770 426 L CB -0.603 41.459 42.059 0.005 0.000 0.914 426 L HN -0.687 7.578 8.230 0.059 0.000 0.439 427 L N -0.236 121.049 121.223 0.104 0.000 2.027 427 L HA -0.300 nan 4.340 nan 0.000 0.206 427 L C 1.311 178.344 176.870 0.272 0.000 1.074 427 L CA 3.782 58.708 54.840 0.143 0.000 0.745 427 L CB -0.166 41.930 42.059 0.061 0.000 0.898 427 L HN 0.210 8.481 8.230 0.069 0.000 0.433 428 W N -0.727 120.631 121.300 0.096 0.000 2.318 428 W HA -0.452 nan 4.660 nan 0.000 0.313 428 W C 1.735 178.295 176.519 0.069 0.000 1.221 428 W CA 3.723 61.119 57.345 0.084 0.000 1.266 428 W CB -0.134 29.367 29.460 0.068 0.000 1.150 428 W HN -0.174 8.236 8.180 0.384 0.000 0.496 429 L N -2.828 118.534 121.223 0.233 0.000 2.042 429 L HA -0.540 nan 4.340 nan 0.000 0.210 429 L C 1.876 178.767 176.870 0.036 0.000 1.076 429 L CA 3.473 58.365 54.840 0.087 0.000 0.749 429 L CB -0.918 41.249 42.059 0.180 0.000 0.893 429 L HN -0.295 8.174 8.230 0.398 0.000 0.432 430 Y N -0.963 119.349 120.300 0.021 0.000 2.145 430 Y HA -0.452 nan 4.550 nan 0.000 0.286 430 Y C 1.724 177.621 175.900 -0.005 0.000 1.145 430 Y CA 3.599 61.731 58.100 0.052 0.000 1.148 430 Y CB -0.265 38.288 38.460 0.157 0.000 0.981 430 Y HN -0.985 7.376 8.280 0.303 0.100 0.507 431 R N -4.166 116.287 120.500 -0.079 0.000 2.119 431 R HA -0.207 nan 4.340 nan 0.000 0.222 431 R C 2.533 178.625 176.300 -0.347 0.000 1.088 431 R CA 2.948 58.927 56.100 -0.203 0.000 0.984 431 R CB 0.053 30.320 30.300 -0.055 0.000 0.884 431 R HN -0.161 8.174 8.270 0.107 0.000 0.447 432 E N -3.522 116.375 120.200 -0.504 0.000 2.447 432 E HA 0.063 nan 4.350 nan 0.000 0.204 432 E C 0.501 176.852 176.600 -0.414 0.000 0.977 432 E CA 1.311 57.353 56.400 -0.597 0.000 0.950 432 E CB 1.322 30.323 29.700 -1.166 0.000 0.975 432 E HN -0.037 8.013 8.360 -0.516 0.000 0.496 433 V N -0.866 118.851 119.914 -0.329 0.000 3.029 433 V HA 0.085 nan 4.120 nan 0.000 0.230 433 V C 1.482 177.478 176.094 -0.163 0.000 1.254 433 V CA 2.202 64.372 62.300 -0.217 0.000 1.276 433 V CB 1.717 33.429 31.823 -0.184 0.000 1.080 433 V HN 0.167 8.063 8.190 -0.324 0.100 0.495 434 E N 0.566 120.683 120.200 -0.137 0.000 2.017 434 E HA -0.288 nan 4.350 nan 0.000 0.193 434 E C 2.088 178.579 176.600 -0.181 0.000 0.997 434 E CA 3.390 59.738 56.400 -0.087 0.000 0.804 434 E CB -0.125 29.606 29.700 0.051 0.000 0.757 434 E HN 0.104 8.384 8.360 -0.132 0.000 0.448 435 R N -1.567 118.705 120.500 -0.380 0.000 2.090 435 R HA -0.036 nan 4.340 nan 0.000 0.228 435 R C -0.692 175.470 176.300 -0.231 0.000 1.110 435 R CA 4.640 60.531 56.100 -0.350 0.000 0.973 435 R CB -0.870 29.091 30.300 -0.565 0.000 0.869 435 R HN -0.287 7.666 8.270 -0.530 0.000 0.440 436 P HA -0.255 nan 4.420 nan 0.000 0.216 436 P C 1.252 178.451 177.300 -0.170 0.000 1.150 436 P CA 2.938 65.935 63.100 -0.172 0.000 0.837 436 P CB -0.462 31.140 31.700 -0.163 0.000 0.786 437 L N -2.992 118.137 121.223 -0.156 0.000 2.093 437 L HA -0.291 nan 4.340 nan 0.000 0.208 437 L C 1.126 177.907 176.870 -0.149 0.000 1.085 437 L CA 2.986 57.738 54.840 -0.146 0.000 0.755 437 L CB -0.234 41.762 42.059 -0.104 0.000 0.904 437 L HN -0.184 7.953 8.230 -0.156 0.000 0.435 438 S N 0.113 115.740 115.700 -0.122 0.000 2.400 438 S HA -0.405 nan 4.470 nan 0.000 0.232 438 S C 1.832 176.352 174.600 -0.134 0.000 1.025 438 S CA 3.553 61.693 58.200 -0.100 0.000 0.993 438 S CB -1.394 61.765 63.200 -0.069 0.000 0.808 438 S HN -0.357 7.882 8.310 -0.119 0.000 0.478 439 A N 0.780 123.500 122.820 -0.167 0.000 1.877 439 A HA -0.171 nan 4.320 nan 0.000 0.216 439 A C 1.819 179.226 177.584 -0.295 0.000 1.186 439 A CA 2.966 54.889 52.037 -0.190 0.000 0.620 439 A CB -1.028 17.864 19.000 -0.181 0.000 0.822 439 A HN -0.507 7.528 8.150 -0.165 0.015 0.443 440 V N 0.183 119.827 119.914 -0.450 0.000 2.261 440 V HA -0.406 nan 4.120 nan 0.000 0.246 440 V C 2.057 177.972 176.094 -0.298 0.000 1.047 440 V CA 3.765 65.700 62.300 -0.609 0.000 1.015 440 V CB -0.659 30.897 31.823 -0.445 0.000 0.642 440 V HN -0.745 7.149 8.190 -0.361 0.080 0.446 441 L N -2.342 118.756 121.223 -0.208 0.000 2.083 441 L HA -0.447 nan 4.340 nan 0.000 0.209 441 L C 2.164 179.004 176.870 -0.050 0.000 1.083 441 L CA 3.214 57.985 54.840 -0.116 0.000 0.752 441 L CB -1.335 40.690 42.059 -0.057 0.000 0.899 441 L HN 0.232 8.338 8.230 -0.207 0.000 0.433 442 A N -0.607 122.149 122.820 -0.107 0.000 1.865 442 A HA -0.431 nan 4.320 nan 0.000 0.217 442 A C 2.036 179.516 177.584 -0.173 0.000 1.191 442 A CA 3.193 55.140 52.037 -0.151 0.000 0.623 442 A CB -0.965 17.889 19.000 -0.244 0.000 0.826 442 A HN 0.205 8.275 8.150 -0.134 0.000 0.444 443 H N -1.516 117.489 119.070 -0.109 0.000 2.326 443 H HA -0.307 nan 4.556 nan 0.000 0.301 443 H C 2.634 177.978 175.328 0.026 0.000 1.081 443 H CA 4.383 60.419 56.048 -0.020 0.000 1.334 443 H CB -0.078 29.699 29.762 0.025 0.000 1.385 443 H HN -0.294 7.921 8.280 -0.107 0.000 0.504 444 M N -0.824 118.841 119.600 0.108 0.000 2.106 444 M HA -0.551 nan 4.480 nan 0.000 0.259 444 M C 1.949 178.359 176.300 0.183 0.000 1.068 444 M CA 4.627 59.985 55.300 0.097 0.000 1.100 444 M CB -0.025 32.543 32.600 -0.055 0.000 1.351 444 M HN 0.477 8.790 8.290 0.038 0.000 0.404 445 E N -1.313 119.014 120.200 0.211 0.000 2.152 445 E HA -0.270 nan 4.350 nan 0.000 0.192 445 E C 0.738 177.475 176.600 0.229 0.000 0.983 445 E CA 2.151 58.698 56.400 0.244 0.000 0.818 445 E CB 0.142 29.968 29.700 0.209 0.000 0.758 445 E HN -0.407 8.048 8.360 0.158 0.000 0.467 446 A N -1.854 121.040 122.820 0.122 0.000 1.898 446 A HA 0.032 nan 4.320 nan 0.000 0.214 446 A C 1.922 179.607 177.584 0.168 0.000 1.183 446 A CA 2.368 54.444 52.037 0.064 0.000 0.622 446 A CB 0.369 19.339 19.000 -0.050 0.000 0.824 446 A HN -0.545 7.554 8.150 0.079 0.098 0.444 447 T N -0.864 113.771 114.554 0.135 0.000 2.652 447 T HA -0.270 nan 4.350 nan 0.000 0.267 447 T C 1.419 176.129 174.700 0.015 0.000 1.039 447 T CA 4.221 66.372 62.100 0.085 0.000 1.153 447 T CB 0.236 69.146 68.868 0.071 0.000 0.863 447 T HN 0.092 8.408 8.240 0.126 0.000 0.428 448 G N 0.328 109.086 108.800 -0.071 0.000 2.796 448 G HA2 -0.382 nan 3.960 nan 0.000 0.571 448 G HA3 -0.382 nan 3.960 nan 0.000 0.571 448 G C -2.213 172.586 174.900 -0.169 0.000 1.370 448 G CA -0.408 44.502 45.100 -0.316 0.000 0.856 448 G HN -0.450 7.856 8.290 0.027 0.000 0.538 449 V N -0.797 119.027 119.914 -0.149 0.000 2.789 449 V HA 0.526 nan 4.120 nan 0.000 0.311 449 V C -1.686 174.362 176.094 -0.076 0.000 1.073 449 V CA -2.803 59.457 62.300 -0.066 0.000 0.921 449 V CB 3.912 35.767 31.823 0.053 0.000 1.009 449 V HN -0.264 7.804 8.190 -0.204 0.000 0.426 450 R N 4.459 124.918 120.500 -0.068 0.000 2.641 450 R HA 0.363 nan 4.340 nan 0.000 0.269 450 R C -1.436 174.822 176.300 -0.071 0.000 1.074 450 R CA 0.880 56.942 56.100 -0.064 0.000 1.133 450 R CB 1.342 31.608 30.300 -0.056 0.000 1.029 450 R HN 0.217 8.446 8.270 -0.068 0.000 0.488 451 L N 0.724 121.896 121.223 -0.085 0.000 2.323 451 L HA 0.374 nan 4.340 nan 0.000 0.265 451 L C -1.452 175.394 176.870 -0.039 0.000 1.012 451 L CA -1.106 53.657 54.840 -0.128 0.000 0.820 451 L CB 3.273 45.221 42.059 -0.185 0.000 1.334 451 L HN 0.251 8.445 8.230 -0.059 0.000 0.427 452 D N 2.530 122.933 120.400 0.005 0.000 2.485 452 D HA 0.172 nan 4.640 nan 0.000 0.229 452 D C 0.480 176.833 176.300 0.089 0.000 1.101 452 D CA -1.276 52.760 54.000 0.061 0.000 0.906 452 D CB 0.235 41.088 40.800 0.088 0.000 1.019 452 D HN 0.067 8.437 8.370 -0.000 0.000 0.516 453 V N 4.534 124.475 119.914 0.045 0.000 2.667 453 V HA -0.222 nan 4.120 nan 0.000 0.252 453 V C 0.967 177.089 176.094 0.046 0.000 1.065 453 V CA 2.648 64.967 62.300 0.032 0.000 1.083 453 V CB -0.751 31.080 31.823 0.014 0.000 0.692 453 V HN 0.396 8.606 8.190 0.033 0.000 0.468 454 A N 0.781 123.642 122.820 0.069 0.000 1.877 454 A HA -0.312 nan 4.320 nan 0.000 0.216 454 A C 1.170 178.816 177.584 0.103 0.000 1.186 454 A CA 3.319 55.399 52.037 0.072 0.000 0.620 454 A CB -0.805 18.241 19.000 0.078 0.000 0.822 454 A HN -0.124 8.119 8.150 0.068 -0.053 0.443 455 Y N -0.509 119.795 120.300 0.006 0.000 2.163 455 Y HA -0.361 nan 4.550 nan 0.000 0.288 455 Y C 1.587 177.492 175.900 0.008 0.000 1.136 455 Y CA 2.842 60.948 58.100 0.011 0.000 1.147 455 Y CB 0.212 38.684 38.460 0.020 0.000 0.987 455 Y HN -0.798 7.852 8.280 0.251 -0.218 0.509 456 L N -2.370 118.809 121.223 -0.074 0.000 2.079 456 L HA -0.533 nan 4.340 nan 0.000 0.210 456 L C 2.576 179.362 176.870 -0.140 0.000 1.081 456 L CA 3.208 57.954 54.840 -0.158 0.000 0.752 456 L CB -0.536 41.491 42.059 -0.053 0.000 0.896 456 L HN -0.170 8.113 8.230 0.090 0.000 0.433 457 R N -1.451 119.002 120.500 -0.077 0.000 2.066 457 R HA -0.280 nan 4.340 nan 0.000 0.232 457 R C 2.113 178.363 176.300 -0.083 0.000 1.131 457 R CA 1.896 57.958 56.100 -0.062 0.000 0.955 457 R CB -0.955 29.328 30.300 -0.028 0.000 0.851 457 R HN 0.093 8.338 8.270 -0.040 0.000 0.432 458 A N -1.957 120.814 122.820 -0.082 0.000 2.259 458 A HA -0.105 nan 4.320 nan 0.000 0.212 458 A C 1.074 178.557 177.584 -0.168 0.000 1.178 458 A CA 2.062 54.050 52.037 -0.081 0.000 0.734 458 A CB -0.908 18.082 19.000 -0.015 0.000 0.774 458 A HN -0.203 7.915 8.150 -0.054 0.000 0.481 459 L N -3.775 117.281 121.223 -0.279 0.000 2.388 459 L HA 0.090 nan 4.340 nan 0.000 0.209 459 L C 1.073 177.845 176.870 -0.163 0.000 1.061 459 L CA 1.256 55.917 54.840 -0.298 0.000 0.834 459 L CB 0.877 42.627 42.059 -0.514 0.000 1.029 459 L HN -0.181 7.690 8.230 -0.289 0.185 0.473 460 S N 1.539 117.159 115.700 -0.134 0.000 2.365 460 S HA -0.363 nan 4.470 nan 0.000 0.225 460 S C 2.116 176.674 174.600 -0.070 0.000 1.039 460 S CA 4.310 62.457 58.200 -0.088 0.000 1.033 460 S CB -0.456 62.702 63.200 -0.070 0.000 0.887 460 S HN -0.182 8.038 8.310 -0.149 0.000 0.447 461 L N -1.203 119.982 121.223 -0.063 0.000 2.141 461 L HA -0.184 nan 4.340 nan 0.000 0.209 461 L C 1.834 178.679 176.870 -0.042 0.000 1.094 461 L CA 2.149 56.962 54.840 -0.045 0.000 0.763 461 L CB -1.644 40.394 42.059 -0.034 0.000 0.908 461 L HN -0.598 7.589 8.230 -0.071 0.000 0.437 462 E N 0.807 120.977 120.200 -0.050 0.000 2.015 462 E HA -0.313 nan 4.350 nan 0.000 0.191 462 E C 2.412 178.988 176.600 -0.041 0.000 0.991 462 E CA 3.489 59.865 56.400 -0.039 0.000 0.802 462 E CB 0.101 29.773 29.700 -0.046 0.000 0.759 462 E HN -0.631 7.539 8.360 -0.066 0.150 0.447 463 V N -0.220 119.663 119.914 -0.053 0.000 2.490 463 V HA -0.351 nan 4.120 nan 0.000 0.250 463 V C 1.947 178.008 176.094 -0.056 0.000 1.061 463 V CA 3.839 66.108 62.300 -0.052 0.000 1.064 463 V CB -0.984 30.804 31.823 -0.057 0.000 0.670 463 V HN -0.147 8.004 8.190 -0.065 0.000 0.461 464 A N -1.011 121.776 122.820 -0.054 0.000 1.933 464 A HA -0.302 nan 4.320 nan 0.000 0.218 464 A C 1.985 179.546 177.584 -0.038 0.000 1.175 464 A CA 3.440 55.447 52.037 -0.051 0.000 0.628 464 A CB -0.836 18.139 19.000 -0.043 0.000 0.814 464 A HN 0.328 8.261 8.150 -0.055 0.185 0.444 465 E N -0.960 119.222 120.200 -0.031 0.000 2.072 465 E HA -0.304 nan 4.350 nan 0.000 0.191 465 E C 2.325 178.912 176.600 -0.021 0.000 0.985 465 E CA 2.720 59.107 56.400 -0.022 0.000 0.801 465 E CB -0.344 29.346 29.700 -0.017 0.000 0.750 465 E HN 0.058 8.180 8.360 -0.033 0.218 0.452 466 E N -0.299 119.887 120.200 -0.024 0.000 2.077 466 E HA -0.301 nan 4.350 nan 0.000 0.193 466 E C 2.718 179.306 176.600 -0.021 0.000 0.989 466 E CA 3.046 59.433 56.400 -0.021 0.000 0.800 466 E CB -0.087 29.600 29.700 -0.022 0.000 0.746 466 E HN -0.328 8.016 8.360 -0.027 0.000 0.452 467 I N -0.757 119.793 120.570 -0.034 0.000 2.361 467 I HA -0.473 nan 4.170 nan 0.000 0.251 467 I C 1.665 177.790 176.117 0.013 0.000 1.133 467 I CA 3.553 64.840 61.300 -0.021 0.000 1.413 467 I CB -0.398 37.542 38.000 -0.099 0.000 1.073 467 I HN 0.047 8.229 8.210 -0.046 0.000 0.424 468 A N -0.214 122.597 122.820 -0.016 0.000 1.873 468 A HA -0.299 nan 4.320 nan 0.000 0.215 468 A C 1.888 179.439 177.584 -0.056 0.000 1.186 468 A CA 3.339 55.357 52.037 -0.032 0.000 0.616 468 A CB -0.897 18.090 19.000 -0.021 0.000 0.823 468 A HN -0.119 7.923 8.150 -0.021 0.096 0.442 469 R N -1.452 119.026 120.500 -0.036 0.000 2.081 469 R HA -0.353 nan 4.340 nan 0.000 0.235 469 R C 2.597 178.862 176.300 -0.058 0.000 1.131 469 R CA 3.104 59.181 56.100 -0.037 0.000 0.960 469 R CB -0.216 30.073 30.300 -0.018 0.000 0.856 469 R HN -0.168 8.087 8.270 -0.025 0.000 0.436 470 L N -0.889 120.308 121.223 -0.044 0.000 2.012 470 L HA -0.377 nan 4.340 nan 0.000 0.210 470 L C 1.784 178.556 176.870 -0.163 0.000 1.073 470 L CA 3.785 58.596 54.840 -0.047 0.000 0.748 470 L CB -0.569 41.509 42.059 0.033 0.000 0.891 470 L HN 0.287 8.503 8.230 -0.022 0.000 0.431 471 E N -0.809 119.246 120.200 -0.242 0.000 2.150 471 E HA -0.385 nan 4.350 nan 0.000 0.193 471 E C 2.276 178.392 176.600 -0.806 0.000 0.985 471 E CA 2.981 58.994 56.400 -0.645 0.000 0.814 471 E CB -0.056 29.307 29.700 -0.562 0.000 0.752 471 E HN -0.132 8.077 8.360 -0.126 0.075 0.466 472 A N -0.182 122.420 122.820 -0.364 0.000 1.933 472 A HA -0.264 nan 4.320 nan 0.000 0.218 472 A C 2.232 179.769 177.584 -0.077 0.000 1.175 472 A CA 3.329 55.276 52.037 -0.150 0.000 0.628 472 A CB -0.953 18.022 19.000 -0.040 0.000 0.814 472 A HN 0.013 7.931 8.150 -0.243 0.086 0.444 473 E N -1.699 118.443 120.200 -0.096 0.000 2.047 473 E HA -0.249 nan 4.350 nan 0.000 0.191 473 E C 2.565 179.156 176.600 -0.015 0.000 0.987 473 E CA 2.292 58.674 56.400 -0.030 0.000 0.799 473 E CB -0.219 29.466 29.700 -0.025 0.000 0.752 473 E HN -0.358 7.840 8.360 -0.125 0.087 0.449 474 V N -0.520 119.326 119.914 -0.113 0.000 2.453 474 V HA -0.351 nan 4.120 nan 0.000 0.252 474 V C 2.050 178.281 176.094 0.228 0.000 1.068 474 V CA 3.729 66.005 62.300 -0.040 0.000 1.070 474 V CB -0.669 30.987 31.823 -0.278 0.000 0.664 474 V HN 0.139 8.203 8.190 -0.210 0.000 0.461 475 F N -1.441 118.519 119.950 0.018 0.000 2.147 475 F HA -0.040 nan 4.527 nan 0.000 0.291 475 F C 1.172 177.015 175.800 0.072 0.000 1.093 475 F CA 0.218 58.259 58.000 0.070 0.000 1.263 475 F CB -0.219 38.782 39.000 0.003 0.000 1.036 475 F HN -0.656 7.478 8.300 -0.065 0.127 0.481 476 R N -0.342 120.301 120.500 0.237 0.000 4.680 476 R HA -0.017 nan 4.340 nan 0.000 0.222 476 R C -0.792 175.578 176.300 0.116 0.000 1.803 476 R CA 0.703 56.895 56.100 0.153 0.000 1.560 476 R CB -1.388 28.982 30.300 0.117 0.000 1.412 476 R HN -0.254 8.138 8.270 0.204 0.000 0.815 477 L N -2.616 118.674 121.223 0.113 0.000 3.337 477 L HA 0.101 nan 4.340 nan 0.000 0.313 477 L C -0.595 176.247 176.870 -0.048 0.000 1.071 477 L CA 0.901 55.774 54.840 0.054 0.000 1.192 477 L CB 1.558 43.643 42.059 0.044 0.000 1.895 477 L HN -0.110 8.102 8.230 0.155 0.110 0.596 478 A N -2.919 119.911 122.820 0.017 0.000 2.063 478 A HA 0.174 nan 4.320 nan 0.000 0.211 478 A C 0.532 178.095 177.584 -0.034 0.000 1.177 478 A CA 0.849 52.841 52.037 -0.076 0.000 0.759 478 A CB 1.911 20.860 19.000 -0.086 0.000 0.857 478 A HN -0.557 7.675 8.150 0.135 0.000 0.468 479 G N -0.566 108.263 108.800 0.048 0.000 2.475 479 G HA2 -0.253 nan 3.960 nan 0.000 0.198 479 G HA3 -0.253 nan 3.960 nan 0.000 0.198 479 G C -1.115 173.866 174.900 0.135 0.000 2.226 479 G CA -0.086 45.042 45.100 0.047 0.000 1.626 479 G HN -0.273 8.080 8.290 0.105 0.000 0.534 480 H N 2.843 121.884 119.070 -0.049 0.000 2.693 480 H HA 0.401 nan 4.556 nan 0.000 0.348 480 H C -2.584 172.646 175.328 -0.164 0.000 1.222 480 H CA -3.133 52.862 56.048 -0.088 0.000 1.270 480 H CB 2.373 32.082 29.762 -0.088 0.000 1.798 480 H HN 0.102 8.440 8.280 0.097 0.000 0.592 481 P HA 0.057 nan 4.420 nan 0.000 0.269 481 P C -1.993 175.078 177.300 -0.382 0.000 1.215 481 P CA 0.349 62.876 63.100 -0.955 0.000 0.780 481 P CB 0.505 31.628 31.700 -0.961 0.000 0.898 482 F N -2.515 117.052 119.950 -0.638 0.000 2.745 482 F HA 0.322 nan 4.527 nan 0.000 0.316 482 F C -2.201 173.578 175.800 -0.035 0.000 1.155 482 F CA -3.265 54.609 58.000 -0.211 0.000 0.937 482 F CB 2.148 41.087 39.000 -0.101 0.000 1.361 482 F HN -0.484 7.197 8.300 -1.031 0.000 0.472 483 N N 1.169 119.893 118.700 0.040 0.000 2.437 483 N HA 0.167 nan 4.740 nan 0.000 0.243 483 N C 0.528 175.972 175.510 -0.110 0.000 1.041 483 N CA -1.257 51.769 53.050 -0.040 0.000 0.940 483 N CB 0.339 38.843 38.487 0.028 0.000 1.133 483 N HN 0.119 8.949 8.380 0.196 -0.333 0.506 484 L N 4.252 125.262 121.223 -0.355 0.000 2.265 484 L HA -0.329 nan 4.340 nan 0.000 0.215 484 L C 0.284 177.104 176.870 -0.083 0.000 1.117 484 L CA 2.580 57.186 54.840 -0.390 0.000 0.782 484 L CB 0.012 41.585 42.059 -0.810 0.000 0.914 484 L HN 0.406 8.411 8.230 -0.376 0.000 0.441 485 N N -3.989 114.710 118.700 -0.001 0.000 2.314 485 N HA 0.075 nan 4.740 nan 0.000 0.200 485 N C -1.002 174.544 175.510 0.061 0.000 1.135 485 N CA 0.371 53.465 53.050 0.073 0.000 0.835 485 N CB 0.629 39.173 38.487 0.096 0.000 0.989 485 N HN -0.562 7.922 8.380 -0.027 -0.119 0.478 486 S N 0.218 115.957 115.700 0.064 0.000 2.552 486 S HA 0.342 nan 4.470 nan 0.000 0.314 486 S C 0.329 174.973 174.600 0.073 0.000 1.099 486 S CA -1.460 56.779 58.200 0.066 0.000 1.070 486 S CB 2.485 65.723 63.200 0.064 0.000 0.998 486 S HN -0.411 7.780 8.310 0.067 0.160 0.474 487 R N 6.243 126.779 120.500 0.060 0.000 2.096 487 R HA -0.385 nan 4.340 nan 0.000 0.240 487 R C 1.387 177.714 176.300 0.045 0.000 1.139 487 R CA 3.014 59.147 56.100 0.056 0.000 0.952 487 R CB -1.430 28.903 30.300 0.056 0.000 0.854 487 R HN 0.816 9.119 8.270 0.055 0.000 0.436 488 D N -1.512 118.913 120.400 0.042 0.000 2.092 488 D HA -0.232 nan 4.640 nan 0.000 0.193 488 D C 2.500 178.806 176.300 0.010 0.000 0.994 488 D CA 3.682 57.700 54.000 0.030 0.000 0.828 488 D CB -1.099 39.718 40.800 0.028 0.000 0.963 488 D HN 0.382 8.779 8.370 0.044 0.000 0.450 489 Q N -0.263 119.557 119.800 0.032 0.000 2.135 489 Q HA -0.291 nan 4.340 nan 0.000 0.204 489 Q C 2.656 178.640 176.000 -0.026 0.000 0.981 489 Q CA 2.726 58.548 55.803 0.031 0.000 0.856 489 Q CB -0.163 28.661 28.738 0.143 0.000 0.902 489 Q HN -0.283 8.017 8.270 0.051 0.000 0.425 490 L N -0.511 120.730 121.223 0.031 0.000 2.109 490 L HA -0.230 nan 4.340 nan 0.000 0.207 490 L C 1.830 178.545 176.870 -0.258 0.000 1.086 490 L CA 2.565 57.382 54.840 -0.038 0.000 0.760 490 L CB -0.603 41.492 42.059 0.061 0.000 0.910 490 L HN -0.078 8.198 8.230 0.076 0.000 0.437 491 E N -0.406 119.675 120.200 -0.199 0.000 2.017 491 E HA -0.479 nan 4.350 nan 0.000 0.193 491 E C 2.067 178.502 176.600 -0.275 0.000 0.997 491 E CA 3.778 60.010 56.400 -0.279 0.000 0.804 491 E CB -0.399 29.324 29.700 0.039 0.000 0.757 491 E HN 0.120 8.432 8.360 -0.080 0.000 0.448 492 R N -0.582 119.833 120.500 -0.143 0.000 2.115 492 R HA -0.394 nan 4.340 nan 0.000 0.239 492 R C 2.572 178.741 176.300 -0.219 0.000 1.133 492 R CA 3.593 59.616 56.100 -0.128 0.000 0.935 492 R CB -0.051 30.188 30.300 -0.101 0.000 0.853 492 R HN -0.030 8.185 8.270 -0.092 0.000 0.433 493 V N -0.306 119.400 119.914 -0.348 0.000 2.255 493 V HA -0.382 nan 4.120 nan 0.000 0.247 493 V C 2.173 178.046 176.094 -0.367 0.000 1.051 493 V CA 4.244 66.278 62.300 -0.442 0.000 1.018 493 V CB -0.677 30.639 31.823 -0.844 0.000 0.641 493 V HN -0.236 7.737 8.190 -0.363 0.000 0.445 494 L N -0.527 120.419 121.223 -0.461 0.000 1.948 494 L HA -0.308 nan 4.340 nan 0.000 0.212 494 L C 1.835 178.562 176.870 -0.238 0.000 1.074 494 L CA 3.754 58.318 54.840 -0.461 0.000 0.753 494 L CB 0.102 41.626 42.059 -0.892 0.000 0.888 494 L HN -0.082 7.832 8.230 -0.527 0.000 0.432 495 F N -4.415 115.511 119.950 -0.039 0.000 2.693 495 F HA -0.019 nan 4.527 nan 0.000 0.303 495 F C 0.275 176.059 175.800 -0.027 0.000 1.143 495 F CA 0.292 58.279 58.000 -0.022 0.000 1.389 495 F CB -1.580 37.413 39.000 -0.012 0.000 1.060 495 F HN 0.277 8.141 8.300 -0.727 0.000 0.535 496 D N -0.627 119.806 120.400 0.054 0.000 2.757 496 D HA 0.025 nan 4.640 nan 0.000 0.142 496 D C 1.322 177.610 176.300 -0.020 0.000 1.491 496 D CA 0.995 55.009 54.000 0.024 0.000 1.531 496 D CB 0.616 41.418 40.800 0.003 0.000 1.709 496 D HN -0.358 7.915 8.370 -0.035 0.076 0.246 497 E N 0.980 121.135 120.200 -0.076 0.000 2.070 497 E HA -0.286 nan 4.350 nan 0.000 0.197 497 E C 1.671 178.232 176.600 -0.065 0.000 1.004 497 E CA 2.943 59.291 56.400 -0.088 0.000 0.805 497 E CB 0.332 29.941 29.700 -0.151 0.000 0.744 497 E HN -0.264 7.922 8.360 -0.108 0.109 0.451 498 L N -4.707 116.472 121.223 -0.073 0.000 2.477 498 L HA 0.100 nan 4.340 nan 0.000 0.220 498 L C 0.255 177.150 176.870 0.042 0.000 1.106 498 L CA 0.204 55.033 54.840 -0.019 0.000 0.851 498 L CB 0.922 42.943 42.059 -0.063 0.000 0.994 498 L HN -0.082 8.082 8.230 -0.111 0.000 0.462 499 G N -0.933 107.891 108.800 0.040 0.000 2.272 499 G HA2 -0.412 nan 3.960 nan 0.000 0.280 499 G HA3 -0.412 nan 3.960 nan 0.000 0.280 499 G C -0.417 174.546 174.900 0.104 0.000 1.067 499 G CA 0.318 45.461 45.100 0.072 0.000 0.902 499 G HN -0.556 7.584 8.290 0.015 0.160 0.500 500 L N -0.543 120.763 121.223 0.137 0.000 2.436 500 L HA 0.221 nan 4.340 nan 0.000 0.265 500 L C -1.415 175.574 176.870 0.199 0.000 1.168 500 L CA -2.467 52.474 54.840 0.168 0.000 0.815 500 L CB 0.364 42.531 42.059 0.180 0.000 1.109 500 L HN -0.157 8.148 8.230 0.125 0.000 0.462 501 P HA 0.068 nan 4.420 nan 0.000 0.280 501 P C -1.979 175.320 177.300 -0.002 0.000 1.300 501 P CA 0.001 63.139 63.100 0.064 0.000 0.785 501 P CB -0.112 31.614 31.700 0.043 0.000 0.874 502 A N 3.840 126.585 122.820 -0.125 0.000 2.775 502 A HA 0.094 nan 4.320 nan 0.000 0.305 502 A C -2.043 175.319 177.584 -0.370 0.000 1.082 502 A CA 0.075 51.898 52.037 -0.356 0.000 0.591 502 A CB 1.048 19.549 19.000 -0.833 0.000 1.472 502 A HN 0.068 8.175 8.150 -0.072 0.000 0.636 514 T N 4.421 119.126 114.554 0.250 0.000 11.712 514 T HA -0.552 nan 4.350 nan 0.000 0.372 514 T C 0.299 175.024 174.700 0.042 0.000 1.500 514 T CA 2.264 64.458 62.100 0.157 0.000 2.132 514 T CB -1.277 67.707 68.868 0.193 0.000 2.531 514 T HN 0.357 8.725 8.240 0.213 0.000 0.620 515 S N 3.315 118.978 115.700 -0.061 0.000 2.457 515 S HA -0.009 nan 4.470 nan 0.000 0.294 515 S C 0.465 175.064 174.600 -0.002 0.000 1.201 515 S CA -0.723 57.432 58.200 -0.076 0.000 1.112 515 S CB -0.608 62.490 63.200 -0.169 0.000 1.018 515 S HN 0.043 8.265 8.310 -0.147 0.000 0.511 516 A N 5.519 128.342 122.820 0.006 0.000 1.468 516 A HA -0.373 nan 4.320 nan 0.000 0.224 516 A C -0.602 177.006 177.584 0.041 0.000 0.358 516 A CA 2.083 54.132 52.037 0.021 0.000 1.097 516 A CB -0.775 18.235 19.000 0.018 0.000 1.465 516 A HN 0.308 8.456 8.150 -0.003 0.000 0.719 517 A N -5.012 117.843 122.820 0.058 0.000 1.934 517 A HA -0.036 nan 4.320 nan 0.000 0.234 517 A C -0.056 177.583 177.584 0.092 0.000 2.521 517 A CA -0.265 51.817 52.037 0.075 0.000 2.053 517 A CB 0.155 19.191 19.000 0.060 0.000 0.479 517 A HN -0.350 7.774 8.150 0.056 0.060 0.942 518 V N 0.808 120.795 119.914 0.122 0.000 2.363 518 V HA -0.505 nan 4.120 nan 0.000 0.254 518 V C 1.218 177.394 176.094 0.137 0.000 1.074 518 V CA 3.421 65.807 62.300 0.143 0.000 1.069 518 V CB -0.352 31.620 31.823 0.250 0.000 0.659 518 V HN 0.165 8.436 8.190 0.134 0.000 0.455 519 L N -3.242 118.059 121.223 0.130 0.000 2.131 519 L HA -0.333 nan 4.340 nan 0.000 0.210 519 L C 1.283 178.204 176.870 0.084 0.000 1.092 519 L CA 2.696 57.599 54.840 0.104 0.000 0.759 519 L CB -0.375 41.738 42.059 0.091 0.000 0.903 519 L HN -0.287 7.989 8.230 0.134 0.035 0.435 520 E N -3.866 116.381 120.200 0.078 0.000 2.274 520 E HA -0.160 nan 4.350 nan 0.000 0.194 520 E C 0.576 177.213 176.600 0.062 0.000 0.996 520 E CA 1.992 58.431 56.400 0.064 0.000 0.840 520 E CB -0.140 29.595 29.700 0.059 0.000 0.772 520 E HN -0.355 8.030 8.360 0.082 0.024 0.491 521 A N -2.665 120.195 122.820 0.067 0.000 2.140 521 A HA 0.136 nan 4.320 nan 0.000 0.209 521 A C 0.490 178.114 177.584 0.067 0.000 1.181 521 A CA 1.376 53.450 52.037 0.061 0.000 0.824 521 A CB 1.025 20.058 19.000 0.055 0.000 0.879 521 A HN -0.307 7.719 8.150 0.076 0.169 0.480 522 L N -2.887 118.385 121.223 0.082 0.000 3.034 522 L HA 0.130 nan 4.340 nan 0.000 0.245 522 L C 0.151 177.070 176.870 0.082 0.000 1.295 522 L CA -1.489 53.403 54.840 0.087 0.000 1.068 522 L CB -0.443 41.687 42.059 0.119 0.000 1.426 522 L HN -0.117 8.065 8.230 0.090 0.103 0.531 523 R N -0.489 120.053 120.500 0.069 0.000 2.849 523 R HA -0.196 nan 4.340 nan 0.000 0.238 523 R C -0.385 175.950 176.300 0.058 0.000 1.403 523 R CA 1.671 57.809 56.100 0.064 0.000 1.303 523 R CB -1.524 28.809 30.300 0.055 0.000 1.191 523 R HN 0.302 8.535 8.270 0.065 0.076 0.533 524 E N -2.305 117.931 120.200 0.060 0.000 2.536 524 E HA 0.027 nan 4.350 nan 0.000 0.220 524 E C -0.079 176.551 176.600 0.049 0.000 0.876 524 E CA 0.292 56.721 56.400 0.049 0.000 1.190 524 E CB 0.356 30.082 29.700 0.043 0.000 1.191 524 E HN 0.031 8.320 8.360 0.069 0.112 0.557 525 A N 0.936 123.797 122.820 0.068 0.000 2.172 525 A HA -0.084 nan 4.320 nan 0.000 0.215 525 A C -0.158 177.470 177.584 0.074 0.000 1.610 525 A CA 1.218 53.296 52.037 0.069 0.000 0.606 525 A CB -0.023 19.037 19.000 0.100 0.000 1.182 525 A HN -0.678 7.520 8.150 0.081 0.000 0.499 526 H N -0.791 118.300 119.070 0.034 0.000 2.495 526 H HA 0.308 nan 4.556 nan 0.000 0.350 526 H C -0.785 174.562 175.328 0.031 0.000 1.202 526 H CA -1.889 54.176 56.048 0.029 0.000 1.322 526 H CB 1.035 30.813 29.762 0.026 0.000 1.544 526 H HN -0.059 8.350 8.280 0.214 0.000 0.565 527 P HA -0.126 nan 4.420 nan 0.000 0.222 527 P C 0.520 177.891 177.300 0.120 0.000 1.147 527 P CA 1.733 64.920 63.100 0.146 0.000 0.790 527 P CB 0.356 32.133 31.700 0.130 0.000 0.780 528 I N -2.458 118.185 120.570 0.122 0.000 2.208 528 I HA -0.473 nan 4.170 nan 0.000 0.245 528 I C 0.940 177.091 176.117 0.056 0.000 1.097 528 I CA 3.383 64.714 61.300 0.052 0.000 1.363 528 I CB 0.167 38.145 38.000 -0.036 0.000 1.051 528 I HN -0.357 7.918 8.210 0.188 0.048 0.413 529 V N -1.187 118.768 119.914 0.068 0.000 2.594 529 V HA -0.458 nan 4.120 nan 0.000 0.253 529 V C 2.101 178.232 176.094 0.063 0.000 1.069 529 V CA 3.494 65.832 62.300 0.065 0.000 1.082 529 V CB -1.281 30.587 31.823 0.076 0.000 0.680 529 V HN -0.238 8.004 8.190 0.088 0.000 0.469 530 E N -0.083 120.154 120.200 0.063 0.000 2.015 530 E HA -0.317 nan 4.350 nan 0.000 0.191 530 E C 1.811 178.442 176.600 0.051 0.000 0.991 530 E CA 2.872 59.305 56.400 0.055 0.000 0.802 530 E CB -0.600 29.131 29.700 0.052 0.000 0.759 530 E HN -0.519 7.858 8.360 0.069 0.024 0.447 531 K N -0.512 119.915 120.400 0.046 0.000 2.113 531 K HA -0.321 nan 4.320 nan 0.000 0.208 531 K C 2.881 179.507 176.600 0.043 0.000 1.047 531 K CA 3.259 59.567 56.287 0.036 0.000 0.928 531 K CB -0.201 32.310 32.500 0.018 0.000 0.716 531 K HN -0.804 7.476 8.250 0.049 0.000 0.446 532 I N -0.631 119.963 120.570 0.039 0.000 2.163 532 I HA -0.439 nan 4.170 nan 0.000 0.243 532 I C 1.750 177.930 176.117 0.106 0.000 1.085 532 I CA 3.869 65.197 61.300 0.047 0.000 1.347 532 I CB -0.523 37.505 38.000 0.046 0.000 1.044 532 I HN 0.246 8.480 8.210 0.040 0.000 0.408 533 L N -1.437 119.837 121.223 0.085 0.000 2.083 533 L HA -0.501 nan 4.340 nan 0.000 0.209 533 L C 2.271 179.189 176.870 0.079 0.000 1.083 533 L CA 3.451 58.340 54.840 0.082 0.000 0.752 533 L CB -0.606 41.492 42.059 0.064 0.000 0.899 533 L HN -0.571 7.702 8.230 0.070 0.000 0.433 534 Q N -1.173 118.671 119.800 0.073 0.000 2.170 534 Q HA -0.397 nan 4.340 nan 0.000 0.203 534 Q C 2.532 178.578 176.000 0.076 0.000 0.976 534 Q CA 3.348 59.186 55.803 0.059 0.000 0.858 534 Q CB -0.114 28.652 28.738 0.047 0.000 0.907 534 Q HN -0.188 8.123 8.270 0.069 0.000 0.433 535 Y N 0.677 120.956 120.300 -0.035 0.000 2.163 535 Y HA -0.418 nan 4.550 nan 0.000 0.288 535 Y C 1.832 177.710 175.900 -0.035 0.000 1.136 535 Y CA 3.560 61.627 58.100 -0.055 0.000 1.147 535 Y CB 0.126 38.533 38.460 -0.089 0.000 0.987 535 Y HN -0.292 8.002 8.280 0.205 0.109 0.509 536 R N -1.977 118.606 120.500 0.139 0.000 2.120 536 R HA -0.414 nan 4.340 nan 0.000 0.234 536 R C 2.712 179.000 176.300 -0.021 0.000 1.123 536 R CA 3.794 59.924 56.100 0.050 0.000 0.975 536 R CB -0.220 30.144 30.300 0.106 0.000 0.866 536 R HN 0.035 8.450 8.270 0.241 0.000 0.446 537 E N -0.469 119.727 120.200 -0.006 0.000 2.170 537 E HA -0.083 nan 4.350 nan 0.000 0.191 537 E C 2.178 178.758 176.600 -0.035 0.000 0.981 537 E CA 2.295 58.691 56.400 -0.007 0.000 0.830 537 E CB -0.463 29.246 29.700 0.015 0.000 0.775 537 E HN -0.094 8.279 8.360 0.021 0.000 0.470 538 L N -0.243 120.936 121.223 -0.072 0.000 2.156 538 L HA -0.148 nan 4.340 nan 0.000 0.208 538 L C 1.955 178.737 176.870 -0.145 0.000 1.095 538 L CA 2.846 57.631 54.840 -0.092 0.000 0.770 538 L CB -0.297 41.705 42.059 -0.095 0.000 0.914 538 L HN -0.374 7.813 8.230 -0.070 0.000 0.439 539 T N 2.193 116.600 114.554 -0.245 0.000 2.708 539 T HA -0.372 nan 4.350 nan 0.000 0.266 539 T C 1.892 176.514 174.700 -0.129 0.000 1.037 539 T CA 5.257 67.199 62.100 -0.264 0.000 1.146 539 T CB -0.500 68.112 68.868 -0.427 0.000 0.865 539 T HN 0.254 8.316 8.240 -0.297 0.000 0.435 540 K N 1.807 122.159 120.400 -0.080 0.000 2.009 540 K HA -0.260 nan 4.320 nan 0.000 0.210 540 K C 2.322 178.930 176.600 0.013 0.000 1.049 540 K CA 2.803 59.075 56.287 -0.025 0.000 0.929 540 K CB -0.358 32.148 32.500 0.009 0.000 0.714 540 K HN -0.653 7.544 8.250 -0.089 0.000 0.440 541 L N -1.049 120.200 121.223 0.043 0.000 2.083 541 L HA -0.376 nan 4.340 nan 0.000 0.209 541 L C 2.015 178.934 176.870 0.080 0.000 1.083 541 L CA 3.521 58.433 54.840 0.120 0.000 0.752 541 L CB -0.427 41.682 42.059 0.084 0.000 0.899 541 L HN 0.055 8.296 8.230 0.017 0.000 0.433 542 K N -0.338 120.060 120.400 -0.002 0.000 2.026 542 K HA -0.365 nan 4.320 nan 0.000 0.208 542 K C 2.508 179.088 176.600 -0.033 0.000 1.048 542 K CA 3.453 59.723 56.287 -0.028 0.000 0.929 542 K CB -0.424 32.032 32.500 -0.072 0.000 0.713 542 K HN -0.069 8.162 8.250 -0.032 0.000 0.439 543 S N -2.106 113.563 115.700 -0.052 0.000 2.453 543 S HA -0.106 nan 4.470 nan 0.000 0.231 543 S C 1.760 176.305 174.600 -0.090 0.000 1.005 543 S CA 3.273 61.433 58.200 -0.066 0.000 0.949 543 S CB 0.179 63.337 63.200 -0.071 0.000 0.774 543 S HN 0.057 8.332 8.310 -0.058 0.000 0.510 544 T N -3.781 110.708 114.554 -0.108 0.000 3.038 544 T HA 0.133 nan 4.350 nan 0.000 0.244 544 T C 0.913 175.398 174.700 -0.359 0.000 1.016 544 T CA 1.132 63.063 62.100 -0.281 0.000 1.098 544 T CB 0.709 69.344 68.868 -0.388 0.000 0.954 544 T HN -0.221 7.898 8.240 -0.045 0.094 0.469 545 Y N -1.541 118.765 120.300 0.010 0.000 2.641 545 Y HA 0.239 nan 4.550 nan 0.000 0.248 545 Y C -0.497 175.417 175.900 0.024 0.000 1.170 545 Y CA 0.002 58.126 58.100 0.039 0.000 1.201 545 Y CB 1.664 40.174 38.460 0.083 0.000 1.232 545 Y HN -0.235 8.142 8.280 0.162 0.000 0.537 546 I N -1.970 118.658 120.570 0.098 0.000 3.650 546 I HA -0.089 nan 4.170 nan 0.000 0.261 546 I C 0.514 176.626 176.117 -0.009 0.000 1.154 546 I CA 0.808 62.128 61.300 0.034 0.000 1.418 546 I CB 1.794 39.793 38.000 -0.002 0.000 1.539 546 I HN -0.987 7.259 8.210 0.060 0.000 0.449 547 D N 0.144 120.529 120.400 -0.024 0.000 2.117 547 D HA -0.019 nan 4.640 nan 0.000 0.198 547 D C 0.082 176.357 176.300 -0.042 0.000 0.982 547 D CA 4.019 57.996 54.000 -0.038 0.000 0.828 547 D CB -2.282 38.491 40.800 -0.045 0.000 0.967 547 D HN -0.462 7.895 8.370 -0.022 0.000 0.464 548 P HA -0.118 nan 4.420 nan 0.000 0.216 548 P C 1.384 178.657 177.300 -0.044 0.000 1.153 548 P CA 1.721 64.783 63.100 -0.064 0.000 0.848 548 P CB -0.255 31.388 31.700 -0.096 0.000 0.787 549 L N -3.590 117.619 121.223 -0.025 0.000 2.081 549 L HA -0.242 nan 4.340 nan 0.000 0.212 549 L C -0.309 176.549 176.870 -0.019 0.000 1.080 549 L CA 4.827 59.658 54.840 -0.016 0.000 0.754 549 L CB -2.291 39.761 42.059 -0.011 0.000 0.893 549 L HN 0.125 8.345 8.230 -0.016 0.000 0.433 550 P HA -0.092 nan 4.420 nan 0.000 0.221 550 P C 1.133 178.444 177.300 0.020 0.000 1.150 550 P CA 2.215 65.315 63.100 -0.001 0.000 0.800 550 P CB -0.450 31.246 31.700 -0.006 0.000 0.787 551 D N -1.971 118.429 120.400 0.001 0.000 2.363 551 D HA -0.032 nan 4.640 nan 0.000 0.226 551 D C 0.198 176.501 176.300 0.005 0.000 1.020 551 D CA 1.938 55.937 54.000 -0.001 0.000 0.892 551 D CB -0.705 40.069 40.800 -0.042 0.000 0.900 551 D HN 0.109 8.348 8.370 -0.017 0.120 0.531 552 L N -3.106 118.148 121.223 0.052 0.000 2.766 552 L HA 0.223 nan 4.340 nan 0.000 0.242 552 L C -0.706 176.399 176.870 0.391 0.000 1.136 552 L CA -0.803 54.114 54.840 0.129 0.000 0.933 552 L CB 0.759 42.850 42.059 0.053 0.000 1.241 552 L HN -0.809 7.376 8.230 0.046 0.073 0.522 553 I N -5.584 115.145 120.570 0.266 0.000 2.588 553 I HA -0.103 nan 4.170 nan 0.000 0.283 553 I C -0.402 175.917 176.117 0.337 0.000 1.119 553 I CA -0.378 61.069 61.300 0.244 0.000 1.419 553 I CB 0.461 38.526 38.000 0.109 0.000 1.394 553 I HN -0.770 7.494 8.210 0.179 0.054 0.562 554 H N 9.111 128.280 119.070 0.166 0.000 2.742 554 H HA 0.241 nan 4.556 nan 0.000 0.302 554 H C -0.579 174.681 175.328 -0.112 0.000 1.069 554 H CA -0.810 55.180 56.048 -0.096 0.000 1.446 554 H CB 1.013 30.703 29.762 -0.120 0.000 1.462 554 H HN 0.485 8.873 8.280 0.358 0.107 0.499 555 P HA -0.215 nan 4.420 nan 0.000 0.217 555 P C 0.485 177.676 177.300 -0.182 0.000 1.151 555 P CA 2.425 65.360 63.100 -0.276 0.000 0.849 555 P CB 0.135 31.650 31.700 -0.308 0.000 0.787 556 R N -2.984 117.399 120.500 -0.194 0.000 2.080 556 R HA -0.002 nan 4.340 nan 0.000 0.222 556 R C 2.157 178.485 176.300 0.046 0.000 1.107 556 R CA 1.691 57.770 56.100 -0.034 0.000 0.980 556 R CB 0.640 30.938 30.300 -0.003 0.000 0.879 556 R HN -0.184 7.783 8.270 -0.465 0.024 0.439 557 T N -7.200 107.445 114.554 0.152 0.000 3.039 557 T HA 0.271 nan 4.350 nan 0.000 0.250 557 T C 1.401 176.142 174.700 0.067 0.000 1.052 557 T CA -0.161 61.996 62.100 0.095 0.000 1.125 557 T CB 0.860 69.814 68.868 0.144 0.000 0.908 557 T HN -0.555 7.897 8.240 0.354 0.000 0.473 558 G N 3.998 112.852 108.800 0.090 0.000 2.157 558 G HA2 -0.366 nan 3.960 nan 0.000 0.239 558 G HA3 -0.366 nan 3.960 nan 0.000 0.239 558 G C -1.415 173.510 174.900 0.042 0.000 0.982 558 G CA 0.138 45.267 45.100 0.048 0.000 0.650 558 G HN 0.386 8.662 8.290 0.139 0.098 0.527 559 R N -2.783 117.756 120.500 0.065 0.000 2.923 559 R HA 0.809 nan 4.340 nan 0.000 0.252 559 R C -1.915 174.347 176.300 -0.064 0.000 1.130 559 R CA -1.974 54.093 56.100 -0.056 0.000 1.043 559 R CB 3.029 33.222 30.300 -0.178 0.000 1.205 559 R HN -0.887 7.446 8.270 0.165 0.036 0.495 560 L N -0.224 120.914 121.223 -0.142 0.000 2.334 560 L HA 0.361 nan 4.340 nan 0.000 0.277 560 L C -1.900 174.797 176.870 -0.289 0.000 1.075 560 L CA -0.898 53.913 54.840 -0.049 0.000 0.804 560 L CB 2.108 44.164 42.059 -0.005 0.000 1.174 560 L HN 0.175 8.313 8.230 -0.153 0.000 0.438 561 H N 5.717 124.875 119.070 0.147 0.000 2.632 561 H HA 0.299 nan 4.556 nan 0.000 0.258 561 H C -0.591 174.786 175.328 0.083 0.000 1.278 561 H CA -1.398 54.710 56.048 0.101 0.000 1.352 561 H CB -0.236 29.567 29.762 0.069 0.000 1.418 561 H HN 0.517 8.977 8.280 0.301 0.000 0.513 562 T N 3.943 118.519 114.554 0.037 0.000 2.928 562 T HA -0.062 nan 4.350 nan 0.000 0.305 562 T C -0.450 174.129 174.700 -0.201 0.000 1.035 562 T CA 0.990 63.015 62.100 -0.126 0.000 1.145 562 T CB 0.365 69.048 68.868 -0.309 0.000 0.963 562 T HN 0.020 8.268 8.240 0.014 0.000 0.545 563 R N 4.739 125.115 120.500 -0.206 0.000 2.202 563 R HA 0.119 nan 4.340 nan 0.000 0.334 563 R C -0.786 175.342 176.300 -0.287 0.000 1.036 563 R CA -0.618 55.401 56.100 -0.135 0.000 0.878 563 R CB 0.848 31.122 30.300 -0.042 0.000 1.067 563 R HN 0.395 8.557 8.270 -0.179 0.000 0.457 564 F N 5.704 125.671 119.950 0.028 0.000 2.404 564 F HA 0.079 nan 4.527 nan 0.000 0.358 564 F C -1.171 174.625 175.800 -0.007 0.000 1.120 564 F CA -0.344 57.661 58.000 0.008 0.000 1.144 564 F CB 0.525 39.524 39.000 -0.001 0.000 1.133 564 F HN -0.305 8.298 8.300 0.147 -0.215 0.495 565 N N 3.670 122.468 118.700 0.163 0.000 2.400 565 N HA 0.321 nan 4.740 nan 0.000 0.288 565 N C -0.862 174.672 175.510 0.039 0.000 1.024 565 N CA -1.560 51.529 53.050 0.065 0.000 0.894 565 N CB 2.591 41.085 38.487 0.013 0.000 1.173 565 N HN 0.308 8.786 8.380 0.162 0.000 0.487 566 Q N 1.680 121.458 119.800 -0.037 0.000 2.172 566 Q HA 0.253 nan 4.340 nan 0.000 0.217 566 Q C -0.200 175.579 176.000 -0.367 0.000 0.832 566 Q CA -0.370 55.377 55.803 -0.093 0.000 1.010 566 Q CB 0.333 29.042 28.738 -0.048 0.000 1.133 566 Q HN 0.411 8.652 8.270 -0.048 0.000 0.489 567 T N 0.208 114.483 114.554 -0.466 0.000 3.442 567 T HA 0.242 nan 4.350 nan 0.000 0.295 567 T C -1.357 173.076 174.700 -0.444 0.000 1.007 567 T CA 0.630 62.149 62.100 -0.968 0.000 0.962 567 T CB -0.322 68.183 68.868 -0.605 0.000 1.187 567 T HN -0.087 8.356 8.240 -0.261 -0.360 0.490 568 A N 1.389 124.096 122.820 -0.188 0.000 2.013 568 A HA 0.319 nan 4.320 nan 0.000 0.204 568 A C 0.193 177.828 177.584 0.084 0.000 1.262 568 A CA 0.975 53.000 52.037 -0.019 0.000 0.800 568 A CB 1.037 20.031 19.000 -0.011 0.000 0.909 568 A HN 0.114 8.155 8.150 -0.182 0.000 0.472 569 T N -2.945 111.692 114.554 0.139 0.000 2.874 569 T HA 0.239 nan 4.350 nan 0.000 0.281 569 T C 1.219 176.043 174.700 0.206 0.000 0.994 569 T CA -1.500 60.692 62.100 0.152 0.000 1.015 569 T CB 2.029 70.977 68.868 0.133 0.000 1.028 569 T HN -0.399 7.923 8.240 0.136 0.000 0.523 570 A N 1.185 124.084 122.820 0.132 0.000 1.898 570 A HA -0.116 nan 4.320 nan 0.000 0.216 570 A C 1.426 179.058 177.584 0.079 0.000 1.181 570 A CA 3.116 55.215 52.037 0.105 0.000 0.620 570 A CB -0.400 18.645 19.000 0.073 0.000 0.819 570 A HN 0.559 8.771 8.150 0.104 0.000 0.442 571 T N -8.221 106.383 114.554 0.084 0.000 3.122 571 T HA 0.042 nan 4.350 nan 0.000 0.250 571 T C 0.930 175.681 174.700 0.085 0.000 1.067 571 T CA -0.791 61.346 62.100 0.062 0.000 0.966 571 T CB -0.549 68.350 68.868 0.052 0.000 1.002 571 T HN -0.320 7.976 8.240 0.093 0.000 0.542 572 G N 2.406 111.304 108.800 0.164 0.000 2.136 572 G HA2 -0.440 nan 3.960 nan 0.000 0.242 572 G HA3 -0.440 nan 3.960 nan 0.000 0.242 572 G C -0.904 174.109 174.900 0.188 0.000 0.989 572 G CA 0.197 45.436 45.100 0.231 0.000 0.682 572 G HN -0.246 8.176 8.290 0.219 0.000 0.522 573 R N -1.251 119.341 120.500 0.153 0.000 2.500 573 R HA 0.315 nan 4.340 nan 0.000 0.277 573 R C -0.125 176.244 176.300 0.115 0.000 1.026 573 R CA -1.106 55.063 56.100 0.115 0.000 1.058 573 R CB 1.418 31.774 30.300 0.094 0.000 1.078 573 R HN -0.493 7.872 8.270 0.159 0.000 0.509 574 L N 1.871 123.156 121.223 0.103 0.000 2.474 574 L HA 0.119 nan 4.340 nan 0.000 0.259 574 L C 0.011 176.963 176.870 0.135 0.000 1.232 574 L CA 1.391 56.306 54.840 0.124 0.000 0.821 574 L CB 0.491 42.632 42.059 0.136 0.000 1.108 574 L HN 0.398 8.683 8.230 0.092 0.000 0.495 575 S N -1.068 114.726 115.700 0.156 0.000 2.564 575 S HA 0.557 nan 4.470 nan 0.000 0.274 575 S C -1.724 172.904 174.600 0.046 0.000 1.124 575 S CA -0.825 57.429 58.200 0.090 0.000 0.869 575 S CB 3.694 66.922 63.200 0.046 0.000 1.105 575 S HN -0.039 8.388 8.310 0.195 0.000 0.472 576 S N 2.621 118.292 115.700 -0.049 0.000 2.568 576 S HA 0.619 nan 4.470 nan 0.000 0.302 576 S C -0.466 174.067 174.600 -0.113 0.000 1.082 576 S CA -1.101 56.972 58.200 -0.211 0.000 1.009 576 S CB 2.082 65.158 63.200 -0.207 0.000 1.069 576 S HN 0.016 8.547 8.310 -0.014 -0.229 0.500 577 S N 2.020 117.642 115.700 -0.130 0.000 2.942 577 S HA 0.141 nan 4.470 nan 0.000 0.220 577 S C -1.601 172.966 174.600 -0.055 0.000 0.945 577 S CA 1.569 59.728 58.200 -0.067 0.000 0.851 577 S CB 1.990 65.156 63.200 -0.056 0.000 0.820 577 S HN 0.043 8.233 8.310 -0.200 0.000 0.624 578 D N 0.264 120.630 120.400 -0.057 0.000 2.454 578 D HA 0.483 nan 4.640 nan 0.000 0.247 578 D C -1.983 174.309 176.300 -0.013 0.000 1.129 578 D CA -2.457 51.512 54.000 -0.052 0.000 0.877 578 D CB 1.905 42.661 40.800 -0.074 0.000 1.082 578 D HN -0.326 8.007 8.370 -0.062 0.000 0.537 579 P HA -0.076 nan 4.420 nan 0.000 0.274 579 P C -1.201 176.148 177.300 0.082 0.000 1.237 579 P CA -0.545 62.590 63.100 0.058 0.000 0.793 579 P CB 0.985 32.810 31.700 0.210 0.000 0.977 580 N N 0.684 119.452 118.700 0.112 0.000 2.482 580 N HA 0.023 nan 4.740 nan 0.000 0.242 580 N C 1.271 176.934 175.510 0.255 0.000 1.100 580 N CA -1.275 51.848 53.050 0.122 0.000 0.946 580 N CB -0.625 37.922 38.487 0.099 0.000 1.227 580 N HN 0.130 8.546 8.380 0.060 0.000 0.508 581 L N 4.059 125.377 121.223 0.158 0.000 2.187 581 L HA -0.436 nan 4.340 nan 0.000 0.213 581 L C 1.483 178.374 176.870 0.036 0.000 1.100 581 L CA 2.833 57.758 54.840 0.140 0.000 0.765 581 L CB -0.338 41.791 42.059 0.117 0.000 0.904 581 L HN -0.189 8.086 8.230 0.075 0.000 0.437 582 Q N -2.296 117.497 119.800 -0.011 0.000 2.364 582 Q HA -0.305 nan 4.340 nan 0.000 0.207 582 Q C 1.551 177.580 176.000 0.048 0.000 0.970 582 Q CA 2.864 58.604 55.803 -0.104 0.000 0.888 582 Q CB -0.370 28.323 28.738 -0.074 0.000 0.951 582 Q HN -0.314 8.128 8.270 0.027 -0.157 0.469 583 N N -2.521 116.224 118.700 0.075 0.000 2.273 583 N HA 0.092 nan 4.740 nan 0.000 0.231 583 N C -0.843 174.606 175.510 -0.102 0.000 1.134 583 N CA -0.537 52.561 53.050 0.079 0.000 0.856 583 N CB 0.395 38.993 38.487 0.185 0.000 1.068 583 N HN -0.739 7.655 8.380 0.116 0.055 0.510 584 I N 4.166 124.585 120.570 -0.251 0.000 2.337 584 I HA 0.011 nan 4.170 nan 0.000 0.291 584 I C -2.350 173.644 176.117 -0.205 0.000 1.046 584 I CA -2.202 58.817 61.300 -0.468 0.000 1.324 584 I CB -0.324 37.395 38.000 -0.469 0.000 1.409 584 I HN -0.833 7.236 8.210 -0.120 0.069 0.494 585 P HA -0.085 nan 4.420 nan 0.000 0.258 585 P C -1.548 175.684 177.300 -0.113 0.000 1.187 585 P CA 0.195 63.238 63.100 -0.094 0.000 0.767 585 P CB -0.071 31.588 31.700 -0.068 0.000 0.770 586 V N -1.511 118.335 119.914 -0.114 0.000 2.607 586 V HA 0.174 nan 4.120 nan 0.000 0.289 586 V C 0.377 176.407 176.094 -0.107 0.000 1.053 586 V CA -2.201 60.011 62.300 -0.146 0.000 0.996 586 V CB 0.451 32.157 31.823 -0.195 0.000 0.995 586 V HN -0.138 7.993 8.190 -0.098 0.000 0.476 587 R N 1.443 121.879 120.500 -0.106 0.000 2.788 587 R HA -0.420 nan 4.340 nan 0.000 0.258 587 R C -1.059 175.214 176.300 -0.045 0.000 0.895 587 R CA 0.989 57.048 56.100 -0.068 0.000 0.702 587 R CB -1.059 29.213 30.300 -0.047 0.000 1.661 587 R HN 0.512 8.698 8.270 -0.140 0.000 0.520 588 T N 2.906 117.431 114.554 -0.048 0.000 3.097 588 T HA 0.290 nan 4.350 nan 0.000 0.332 588 T C -2.013 172.669 174.700 -0.029 0.000 1.269 588 T CA -1.677 60.404 62.100 -0.032 0.000 1.076 588 T CB 2.349 71.196 68.868 -0.035 0.000 1.209 588 T HN -0.509 7.798 8.240 -0.061 -0.103 0.474 589 P HA -0.235 nan 4.420 nan 0.000 0.215 589 P C 1.069 178.369 177.300 0.000 0.000 1.163 589 P CA 2.712 65.811 63.100 -0.003 0.000 0.894 589 P CB 0.182 31.884 31.700 0.004 0.000 0.791 590 L N -3.927 117.292 121.223 -0.006 0.000 2.013 590 L HA -0.236 nan 4.340 nan 0.000 0.212 590 L C 2.450 179.310 176.870 -0.017 0.000 1.073 590 L CA 3.363 58.200 54.840 -0.006 0.000 0.753 590 L CB -1.134 40.919 42.059 -0.011 0.000 0.890 590 L HN 0.063 8.289 8.230 -0.007 0.000 0.432 591 G N -4.677 104.093 108.800 -0.049 0.000 2.534 591 G HA2 -0.291 nan 3.960 nan 0.000 0.217 591 G HA3 -0.291 nan 3.960 nan 0.000 0.217 591 G C 1.704 176.545 174.900 -0.099 0.000 1.128 591 G CA 1.408 46.452 45.100 -0.095 0.000 0.784 591 G HN -0.480 7.782 8.290 -0.047 0.000 0.542 592 Q N 0.829 120.592 119.800 -0.062 0.000 2.212 592 Q HA -0.103 nan 4.340 nan 0.000 0.199 592 Q C 2.523 178.544 176.000 0.034 0.000 0.950 592 Q CA 2.851 58.621 55.803 -0.054 0.000 0.863 592 Q CB 0.034 28.748 28.738 -0.039 0.000 0.944 592 Q HN -0.134 7.978 8.270 -0.044 0.132 0.465 593 R N -0.335 120.210 120.500 0.074 0.000 2.115 593 R HA -0.192 nan 4.340 nan 0.000 0.230 593 R C 2.817 179.266 176.300 0.249 0.000 1.111 593 R CA 2.140 58.347 56.100 0.180 0.000 0.976 593 R CB -0.452 29.916 30.300 0.113 0.000 0.870 593 R HN 0.128 8.316 8.270 0.037 0.105 0.445 594 I N -0.370 120.294 120.570 0.157 0.000 2.439 594 I HA -0.343 nan 4.170 nan 0.000 0.251 594 I C 1.936 178.274 176.117 0.368 0.000 1.139 594 I CA 3.286 64.722 61.300 0.226 0.000 1.438 594 I CB -0.434 37.644 38.000 0.129 0.000 1.085 594 I HN 0.102 8.356 8.210 0.078 0.003 0.427 595 R N -0.995 119.622 120.500 0.195 0.000 2.189 595 R HA -0.249 nan 4.340 nan 0.000 0.223 595 R C 2.423 178.955 176.300 0.386 0.000 1.092 595 R CA 3.009 59.235 56.100 0.209 0.000 0.989 595 R CB -0.558 29.584 30.300 -0.264 0.000 0.876 595 R HN -0.636 7.586 8.270 0.054 0.080 0.457 596 R N -0.350 120.312 120.500 0.270 0.000 2.237 596 R HA -0.189 nan 4.340 nan 0.000 0.219 596 R C 0.820 177.214 176.300 0.157 0.000 1.080 596 R CA 2.247 58.421 56.100 0.124 0.000 0.995 596 R CB -0.181 30.047 30.300 -0.120 0.000 0.875 596 R HN -0.416 7.981 8.270 0.246 0.020 0.462 597 A N -1.751 121.307 122.820 0.397 0.000 2.119 597 A HA -0.125 nan 4.320 nan 0.000 0.217 597 A C -0.749 176.909 177.584 0.122 0.000 1.153 597 A CA 1.630 53.841 52.037 0.290 0.000 0.692 597 A CB 0.614 19.736 19.000 0.203 0.000 0.799 597 A HN -0.484 7.808 8.150 0.507 0.162 0.458 598 F N -1.492 118.594 119.950 0.227 0.000 2.404 598 F HA 0.359 nan 4.527 nan 0.000 0.358 598 F C -1.478 174.379 175.800 0.096 0.000 1.120 598 F CA -0.608 57.483 58.000 0.151 0.000 1.144 598 F CB -0.303 38.802 39.000 0.175 0.000 1.133 598 F HN -0.845 7.891 8.300 0.800 0.044 0.495 599 I N -2.043 118.621 120.570 0.156 0.000 3.067 599 I HA 0.988 nan 4.170 nan 0.000 0.312 599 I C -1.858 174.292 176.117 0.055 0.000 1.073 599 I CA -2.975 58.383 61.300 0.097 0.000 1.016 599 I CB 3.990 42.022 38.000 0.053 0.000 1.227 599 I HN -0.137 8.132 8.210 0.098 0.000 0.456 600 A N -0.849 122.004 122.820 0.056 0.000 2.246 600 A HA 0.424 nan 4.320 nan 0.000 0.291 600 A C -0.962 176.633 177.584 0.019 0.000 1.103 600 A CA -1.769 50.295 52.037 0.044 0.000 0.844 600 A CB 1.065 20.135 19.000 0.117 0.000 1.136 600 A HN 0.125 8.316 8.150 0.069 0.000 0.500 601 E N -1.519 118.660 120.200 -0.035 0.000 2.373 601 E HA -0.080 nan 4.350 nan 0.000 0.263 601 E C -0.382 176.282 176.600 0.107 0.000 1.073 601 E CA -1.786 54.572 56.400 -0.069 0.000 0.894 601 E CB 1.634 31.116 29.700 -0.364 0.000 1.008 601 E HN -0.124 8.410 8.360 -0.056 -0.207 0.420 602 E N 2.614 122.872 120.200 0.097 0.000 2.341 602 E HA -0.346 nan 4.350 nan 0.000 0.256 602 E C -0.202 176.527 176.600 0.215 0.000 1.125 602 E CA 1.382 57.857 56.400 0.124 0.000 0.939 602 E CB -0.755 28.991 29.700 0.077 0.000 0.991 602 E HN 0.472 8.860 8.360 0.047 0.000 0.458 603 G N 1.811 110.738 108.800 0.211 0.000 2.192 603 G HA2 -0.264 nan 3.960 nan 0.000 0.193 603 G HA3 -0.264 nan 3.960 nan 0.000 0.193 603 G C -1.252 173.727 174.900 0.132 0.000 0.999 603 G CA -0.360 44.840 45.100 0.166 0.000 0.659 603 G HN -0.149 8.247 8.290 0.178 0.000 0.503 604 W N -1.108 120.189 121.300 -0.004 0.000 2.762 604 W HA 0.827 nan 4.660 nan 0.000 0.355 604 W C -1.100 175.417 176.519 -0.003 0.000 1.124 604 W CA -0.809 56.532 57.345 -0.007 0.000 1.141 604 W CB 2.420 31.875 29.460 -0.008 0.000 1.432 604 W HN -0.223 8.211 8.180 0.424 0.000 0.586 605 L N -1.838 119.515 121.223 0.217 0.000 2.388 605 L HA 0.561 nan 4.340 nan 0.000 0.264 605 L C -1.648 175.304 176.870 0.137 0.000 0.998 605 L CA -1.424 53.495 54.840 0.132 0.000 0.817 605 L CB 3.927 46.025 42.059 0.064 0.000 1.338 605 L HN 0.774 9.145 8.230 0.236 0.000 0.414 606 L N 1.839 123.122 121.223 0.099 0.000 2.375 606 L HA 0.474 nan 4.340 nan 0.000 0.271 606 L C -1.606 175.301 176.870 0.061 0.000 1.107 606 L CA -0.232 54.650 54.840 0.071 0.000 0.806 606 L CB 1.209 43.303 42.059 0.057 0.000 1.146 606 L HN -0.016 8.270 8.230 0.092 0.000 0.447 607 V N 3.918 123.858 119.914 0.043 0.000 2.380 607 V HA 0.442 nan 4.120 nan 0.000 0.286 607 V C -2.027 174.086 176.094 0.032 0.000 1.015 607 V CA -0.980 61.341 62.300 0.035 0.000 0.834 607 V CB 2.064 33.900 31.823 0.021 0.000 1.009 607 V HN 0.462 8.570 8.190 0.029 0.100 0.428 608 A N 8.131 130.988 122.820 0.061 0.000 2.305 608 A HA 1.115 nan 4.320 nan 0.000 0.322 608 A C -2.414 175.199 177.584 0.047 0.000 1.187 608 A CA -2.323 49.764 52.037 0.084 0.000 0.825 608 A CB 2.226 21.341 19.000 0.192 0.000 1.164 608 A HN 1.038 9.230 8.150 0.070 0.000 0.498 609 L N 1.832 123.067 121.223 0.019 0.000 2.362 609 L HA 0.783 nan 4.340 nan 0.000 0.271 609 L C -2.025 174.817 176.870 -0.048 0.000 1.002 609 L CA -0.585 54.231 54.840 -0.041 0.000 0.818 609 L CB 3.284 45.289 42.059 -0.091 0.000 1.298 609 L HN 0.500 8.749 8.230 0.032 0.000 0.420 610 D N 0.456 120.812 120.400 -0.073 0.000 2.879 610 D HA 0.382 nan 4.640 nan 0.000 0.236 610 D C -1.850 174.403 176.300 -0.078 0.000 1.171 610 D CA -1.536 52.444 54.000 -0.033 0.000 0.868 610 D CB 4.167 44.987 40.800 0.035 0.000 1.598 610 D HN 0.499 8.818 8.370 -0.085 0.000 0.497 611 Y N 4.011 124.329 120.300 0.030 0.000 2.480 611 Y HA 0.078 nan 4.550 nan 0.000 0.341 611 Y C 1.023 176.924 175.900 0.002 0.000 1.031 611 Y CA 0.750 58.855 58.100 0.008 0.000 1.295 611 Y CB 0.021 38.481 38.460 -0.000 0.000 1.162 611 Y HN -0.098 8.254 8.280 0.120 0.000 0.523 612 S N 6.407 122.200 115.700 0.156 0.000 2.462 612 S HA -0.335 nan 4.470 nan 0.000 0.219 612 S C 0.155 174.799 174.600 0.073 0.000 1.048 612 S CA 3.283 61.541 58.200 0.097 0.000 1.119 612 S CB 0.265 63.514 63.200 0.081 0.000 1.100 612 S HN 0.007 8.410 8.310 0.155 0.000 0.411 613 Q N 0.016 119.825 119.800 0.015 0.000 2.773 613 Q HA 0.173 nan 4.340 nan 0.000 0.373 613 Q C -0.868 175.067 176.000 -0.109 0.000 0.940 613 Q CA -1.040 54.757 55.803 -0.010 0.000 1.015 613 Q CB -0.444 28.321 28.738 0.045 0.000 1.349 613 Q HN -0.215 8.038 8.270 -0.028 0.000 0.413 614 I N 2.041 122.566 120.570 -0.076 0.000 2.163 614 I HA -0.548 nan 4.170 nan 0.000 0.243 614 I C 0.390 176.408 176.117 -0.165 0.000 1.085 614 I CA 2.928 64.134 61.300 -0.158 0.000 1.347 614 I CB 0.348 38.259 38.000 -0.149 0.000 1.044 614 I HN -0.075 8.129 8.210 -0.011 0.000 0.408 615 E N -1.872 118.262 120.200 -0.110 0.000 2.204 615 E HA -0.297 nan 4.350 nan 0.000 0.194 615 E C 2.159 178.711 176.600 -0.080 0.000 0.989 615 E CA 2.930 59.272 56.400 -0.097 0.000 0.824 615 E CB -0.571 29.087 29.700 -0.070 0.000 0.756 615 E HN 0.319 8.629 8.360 -0.084 0.000 0.477 616 L N -0.745 120.445 121.223 -0.055 0.000 2.162 616 L HA -0.126 nan 4.340 nan 0.000 0.205 616 L C 1.855 178.649 176.870 -0.126 0.000 1.086 616 L CA 1.914 56.763 54.840 0.014 0.000 0.778 616 L CB -0.834 41.342 42.059 0.196 0.000 0.928 616 L HN -0.678 7.516 8.230 -0.060 0.000 0.446 617 R N -0.171 120.097 120.500 -0.387 0.000 2.081 617 R HA -0.354 nan 4.340 nan 0.000 0.235 617 R C 2.479 178.619 176.300 -0.267 0.000 1.131 617 R CA 3.973 59.751 56.100 -0.536 0.000 0.960 617 R CB -0.076 29.871 30.300 -0.589 0.000 0.856 617 R HN 0.168 8.226 8.270 -0.352 0.000 0.436 618 V N -3.591 116.194 119.914 -0.215 0.000 2.667 618 V HA -0.132 nan 4.120 nan 0.000 0.252 618 V C 1.481 177.469 176.094 -0.177 0.000 1.065 618 V CA 2.979 65.177 62.300 -0.170 0.000 1.083 618 V CB -0.989 30.727 31.823 -0.178 0.000 0.692 618 V HN 0.174 8.231 8.190 -0.222 0.000 0.468 619 L N 1.383 122.508 121.223 -0.163 0.000 2.046 619 L HA -0.304 nan 4.340 nan 0.000 0.208 619 L C 1.555 178.308 176.870 -0.196 0.000 1.077 619 L CA 3.001 57.733 54.840 -0.180 0.000 0.747 619 L CB -0.821 41.224 42.059 -0.024 0.000 0.896 619 L HN -0.382 7.767 8.230 -0.134 0.000 0.432 620 A N -2.390 120.370 122.820 -0.100 0.000 1.969 620 A HA -0.340 nan 4.320 nan 0.000 0.218 620 A C 1.745 179.270 177.584 -0.099 0.000 1.169 620 A CA 3.013 55.007 52.037 -0.072 0.000 0.635 620 A CB -1.062 17.969 19.000 0.050 0.000 0.810 620 A HN 0.091 8.198 8.150 -0.071 0.000 0.445 621 H N 0.079 119.033 119.070 -0.194 0.000 2.299 621 H HA -0.208 nan 4.556 nan 0.000 0.302 621 H C 1.704 176.865 175.328 -0.279 0.000 1.078 621 H CA 3.202 59.135 56.048 -0.191 0.000 1.323 621 H CB 0.633 30.289 29.762 -0.176 0.000 1.381 621 H HN -0.727 7.458 8.280 -0.023 0.082 0.498 622 L N -2.260 118.625 121.223 -0.563 0.000 2.275 622 L HA -0.150 nan 4.340 nan 0.000 0.215 622 L C 1.355 177.653 176.870 -0.954 0.000 1.119 622 L CA 1.940 56.241 54.840 -0.898 0.000 0.790 622 L CB -0.366 40.952 42.059 -1.235 0.000 0.919 622 L HN 0.050 8.052 8.230 -0.379 0.000 0.443 623 S N -2.228 113.065 115.700 -0.678 0.000 2.357 623 S HA -0.217 nan 4.470 nan 0.000 0.221 623 S C 1.200 175.729 174.600 -0.119 0.000 1.031 623 S CA 2.669 60.684 58.200 -0.308 0.000 0.982 623 S CB 0.654 63.732 63.200 -0.202 0.000 0.853 623 S HN -0.407 7.516 8.310 -0.602 0.026 0.458 624 G N -0.387 108.318 108.800 -0.159 0.000 2.141 624 G HA2 -0.355 nan 3.960 nan 0.000 0.242 624 G HA3 -0.355 nan 3.960 nan 0.000 0.242 624 G C -0.561 174.316 174.900 -0.038 0.000 0.982 624 G CA -0.014 45.031 45.100 -0.091 0.000 0.662 624 G HN -0.529 7.629 8.290 -0.219 0.000 0.527 625 D N 1.723 122.099 120.400 -0.039 0.000 2.348 625 D HA 0.012 nan 4.640 nan 0.000 0.259 625 D C 0.277 176.573 176.300 -0.006 0.000 1.296 625 D CA 0.043 54.036 54.000 -0.011 0.000 0.931 625 D CB 0.216 41.005 40.800 -0.018 0.000 1.067 625 D HN -0.702 7.594 8.370 -0.071 0.032 0.503 626 E N 6.505 126.714 120.200 0.013 0.000 2.136 626 E HA -0.483 nan 4.350 nan 0.000 0.202 626 E C 2.063 178.685 176.600 0.038 0.000 1.019 626 E CA 3.828 60.247 56.400 0.031 0.000 0.819 626 E CB -0.255 29.470 29.700 0.042 0.000 0.739 626 E HN 0.050 8.418 8.360 0.014 0.000 0.458 627 N N -1.980 116.733 118.700 0.021 0.000 2.354 627 N HA -0.151 nan 4.740 nan 0.000 0.179 627 N C 2.020 177.493 175.510 -0.061 0.000 1.021 627 N CA 2.444 55.482 53.050 -0.021 0.000 0.887 627 N CB -0.038 38.302 38.487 -0.244 0.000 0.974 627 N HN -0.580 7.889 8.380 0.020 -0.077 0.437 628 L N 0.872 122.005 121.223 -0.150 0.000 2.209 628 L HA -0.068 nan 4.340 nan 0.000 0.207 628 L C 1.136 177.956 176.870 -0.083 0.000 1.094 628 L CA 1.971 56.599 54.840 -0.353 0.000 0.790 628 L CB -0.086 41.692 42.059 -0.468 0.000 0.932 628 L HN -0.342 7.889 8.230 -0.084 -0.051 0.447 629 I N 0.366 120.943 120.570 0.012 0.000 2.179 629 I HA -0.596 nan 4.170 nan 0.000 0.242 629 I C 1.725 177.902 176.117 0.101 0.000 1.088 629 I CA 4.438 65.797 61.300 0.098 0.000 1.357 629 I CB -0.257 37.780 38.000 0.061 0.000 1.051 629 I HN 0.505 8.706 8.210 -0.016 0.000 0.409 630 R N -2.548 117.991 120.500 0.065 0.000 2.237 630 R HA -0.157 nan 4.340 nan 0.000 0.219 630 R C 2.575 178.907 176.300 0.055 0.000 1.080 630 R CA 1.718 57.867 56.100 0.081 0.000 0.995 630 R CB -1.249 29.119 30.300 0.114 0.000 0.875 630 R HN -0.111 8.191 8.270 0.052 0.000 0.462 631 V N 0.603 120.486 119.914 -0.050 0.000 2.270 631 V HA -0.338 nan 4.120 nan 0.000 0.245 631 V C 1.758 177.746 176.094 -0.177 0.000 1.043 631 V CA 4.386 66.584 62.300 -0.171 0.000 1.014 631 V CB -0.588 30.967 31.823 -0.446 0.000 0.645 631 V HN -0.701 7.301 8.190 -0.091 0.132 0.447 632 F N -2.210 117.749 119.950 0.015 0.000 2.163 632 F HA -0.269 nan 4.527 nan 0.000 0.297 632 F C 2.896 178.709 175.800 0.022 0.000 1.094 632 F CA 3.509 61.516 58.000 0.011 0.000 1.290 632 F CB -0.635 38.359 39.000 -0.010 0.000 1.017 632 F HN -0.822 7.389 8.300 -0.149 0.000 0.483 633 Q N -0.616 119.309 119.800 0.208 0.000 2.248 633 Q HA -0.316 nan 4.340 nan 0.000 0.208 633 Q C 1.333 177.391 176.000 0.097 0.000 0.984 633 Q CA 2.700 58.580 55.803 0.127 0.000 0.875 633 Q CB -0.266 28.531 28.738 0.098 0.000 0.910 633 Q HN 0.028 8.430 8.270 0.219 0.000 0.433 634 E N -5.331 114.921 120.200 0.088 0.000 2.474 634 E HA 0.165 nan 4.350 nan 0.000 0.195 634 E C 0.287 176.927 176.600 0.067 0.000 1.039 634 E CA -1.147 55.294 56.400 0.068 0.000 0.881 634 E CB -0.079 29.657 29.700 0.060 0.000 0.970 634 E HN -0.749 7.649 8.360 0.088 0.015 0.486 635 G N -0.178 108.674 108.800 0.087 0.000 2.182 635 G HA2 -0.412 nan 3.960 nan 0.000 0.248 635 G HA3 -0.412 nan 3.960 nan 0.000 0.248 635 G C -0.091 174.845 174.900 0.060 0.000 1.042 635 G CA 0.470 45.622 45.100 0.086 0.000 0.775 635 G HN -0.204 7.960 8.290 0.112 0.193 0.501 636 R N -0.791 119.726 120.500 0.029 0.000 2.500 636 R HA 0.092 nan 4.340 nan 0.000 0.275 636 R C -0.688 175.597 176.300 -0.025 0.000 1.051 636 R CA -1.985 54.119 56.100 0.006 0.000 1.088 636 R CB 1.104 31.410 30.300 0.010 0.000 1.063 636 R HN -0.203 8.079 8.270 0.019 0.000 0.511 637 D N 1.509 121.910 120.400 0.002 0.000 2.346 637 D HA -0.046 nan 4.640 nan 0.000 0.260 637 D C 0.955 177.227 176.300 -0.047 0.000 1.252 637 D CA 0.002 53.996 54.000 -0.009 0.000 0.895 637 D CB 0.532 41.355 40.800 0.037 0.000 1.097 637 D HN 0.268 8.652 8.370 0.023 0.000 0.489 638 I N 7.113 127.579 120.570 -0.175 0.000 2.248 638 I HA -0.477 nan 4.170 nan 0.000 0.248 638 I C 0.413 176.531 176.117 0.002 0.000 1.107 638 I CA 2.509 63.684 61.300 -0.209 0.000 1.373 638 I CB 0.301 38.103 38.000 -0.331 0.000 1.055 638 I HN 0.075 8.170 8.210 -0.193 0.000 0.418 639 H N -2.839 116.277 119.070 0.078 0.000 2.428 639 H HA -0.209 nan 4.556 nan 0.000 0.296 639 H C 2.263 177.655 175.328 0.106 0.000 1.062 639 H CA 3.079 59.176 56.048 0.082 0.000 1.350 639 H CB -0.189 29.590 29.762 0.028 0.000 1.403 639 H HN -0.192 8.013 8.280 -0.197 -0.044 0.533 640 T N 2.845 117.515 114.554 0.193 0.000 2.668 640 T HA -0.258 nan 4.350 nan 0.000 0.262 640 T C 1.951 176.769 174.700 0.197 0.000 1.045 640 T CA 4.462 66.654 62.100 0.153 0.000 1.152 640 T CB -0.375 68.553 68.868 0.100 0.000 0.864 640 T HN -0.381 8.140 8.240 0.152 -0.190 0.419 641 E N 1.055 121.381 120.200 0.210 0.000 2.097 641 E HA -0.370 nan 4.350 nan 0.000 0.196 641 E C 2.162 179.077 176.600 0.524 0.000 1.000 641 E CA 3.384 59.983 56.400 0.332 0.000 0.804 641 E CB -0.290 29.599 29.700 0.315 0.000 0.740 641 E HN -0.119 8.336 8.360 0.158 0.000 0.454 642 T N 1.498 116.330 114.554 0.465 0.000 2.652 642 T HA -0.304 nan 4.350 nan 0.000 0.267 642 T C 1.645 176.602 174.700 0.429 0.000 1.039 642 T CA 4.911 67.318 62.100 0.512 0.000 1.153 642 T CB -0.690 68.476 68.868 0.498 0.000 0.863 642 T HN 0.177 8.635 8.240 0.362 0.000 0.428 643 A N 1.178 124.236 122.820 0.396 0.000 1.933 643 A HA -0.280 nan 4.320 nan 0.000 0.218 643 A C 2.113 179.966 177.584 0.448 0.000 1.175 643 A CA 3.143 55.471 52.037 0.485 0.000 0.628 643 A CB -1.057 18.135 19.000 0.320 0.000 0.814 643 A HN -0.228 8.046 8.150 0.345 0.083 0.444 644 S N -0.375 115.489 115.700 0.272 0.000 2.351 644 S HA -0.341 nan 4.470 nan 0.000 0.220 644 S C 1.954 176.614 174.600 0.100 0.000 1.035 644 S CA 4.144 62.419 58.200 0.126 0.000 1.031 644 S CB -0.226 62.970 63.200 -0.006 0.000 0.928 644 S HN -0.160 8.235 8.310 0.261 0.072 0.433 645 W N 0.516 121.814 121.300 -0.003 0.000 2.317 645 W HA -0.335 nan 4.660 nan 0.000 0.318 645 W C 2.789 179.226 176.519 -0.137 0.000 1.227 645 W CA 3.403 60.670 57.345 -0.130 0.000 1.269 645 W CB -0.157 29.093 29.460 -0.350 0.000 1.155 645 W HN -0.137 8.301 8.180 0.430 0.000 0.484 646 M N -3.151 116.534 119.600 0.143 0.000 2.073 646 M HA -0.373 nan 4.480 nan 0.000 0.258 646 M C 2.086 178.260 176.300 -0.211 0.000 1.070 646 M CA 4.323 59.557 55.300 -0.110 0.000 1.103 646 M CB 0.034 32.528 32.600 -0.177 0.000 1.321 646 M HN -0.114 8.322 8.290 0.245 0.000 0.405 647 F N -5.235 114.751 119.950 0.060 0.000 2.776 647 F HA -0.058 nan 4.527 nan 0.000 0.300 647 F C 1.412 177.206 175.800 -0.010 0.000 1.116 647 F CA 0.291 58.313 58.000 0.038 0.000 1.375 647 F CB 0.329 39.383 39.000 0.090 0.000 1.109 647 F HN -0.352 8.197 8.300 0.414 0.000 0.585 648 G N -1.096 107.773 108.800 0.114 0.000 2.296 648 G HA2 -0.485 nan 3.960 nan 0.000 0.282 648 G HA3 -0.485 nan 3.960 nan 0.000 0.282 648 G C -0.466 174.446 174.900 0.021 0.000 1.014 648 G CA 0.454 45.560 45.100 0.011 0.000 0.812 648 G HN -0.138 8.061 8.290 0.104 0.153 0.508 649 V N 0.307 120.260 119.914 0.064 0.000 2.540 649 V HA 0.084 nan 4.120 nan 0.000 0.297 649 V C -1.498 174.583 176.094 -0.023 0.000 1.024 649 V CA -3.164 59.150 62.300 0.023 0.000 1.105 649 V CB 0.599 32.426 31.823 0.006 0.000 0.938 649 V HN -0.537 7.696 8.190 0.122 0.031 0.482 650 P HA -0.150 nan 4.420 nan 0.000 0.235 650 P C -1.475 175.792 177.300 -0.054 0.000 1.080 650 P CA 1.324 64.396 63.100 -0.047 0.000 1.096 650 P CB -0.746 30.933 31.700 -0.035 0.000 1.085 651 R N 1.866 122.318 120.500 -0.079 0.000 4.014 651 R HA -0.395 nan 4.340 nan 0.000 0.367 651 R C -0.749 175.513 176.300 -0.064 0.000 0.241 651 R CA 1.474 57.520 56.100 -0.089 0.000 1.193 651 R CB -1.059 29.198 30.300 -0.072 0.000 1.065 651 R HN -0.138 8.053 8.270 -0.096 0.021 0.531 652 E N 1.549 121.722 120.200 -0.046 0.000 2.055 652 E HA 0.264 nan 4.350 nan 0.000 0.274 652 E C -1.458 175.127 176.600 -0.025 0.000 0.949 652 E CA -0.565 55.820 56.400 -0.025 0.000 0.775 652 E CB 0.420 30.113 29.700 -0.011 0.000 1.097 652 E HN 0.164 8.497 8.360 -0.046 0.000 0.404 653 A N 1.338 124.140 122.820 -0.029 0.000 2.594 653 A HA 0.116 nan 4.320 nan 0.000 0.296 653 A C -1.170 176.389 177.584 -0.041 0.000 1.061 653 A CA -0.232 51.786 52.037 -0.031 0.000 0.689 653 A CB 1.708 20.690 19.000 -0.030 0.000 1.280 653 A HN 0.155 8.285 8.150 -0.032 0.000 0.406 654 V N 1.480 121.371 119.914 -0.039 0.000 5.674 654 V HA -0.363 nan 4.120 nan 0.000 0.156 654 V C -0.597 175.455 176.094 -0.070 0.000 0.726 654 V CA 1.279 63.552 62.300 -0.046 0.000 0.518 654 V CB -0.570 31.230 31.823 -0.038 0.000 0.181 654 V HN 0.645 8.817 8.190 -0.031 0.000 0.381 655 D N 3.337 123.691 120.400 -0.077 0.000 2.320 655 D HA 0.072 nan 4.640 nan 0.000 0.228 655 D C 0.845 177.070 176.300 -0.125 0.000 0.978 655 D CA 1.517 55.446 54.000 -0.119 0.000 0.905 655 D CB -0.722 40.017 40.800 -0.102 0.000 1.051 655 D HN 0.387 8.722 8.370 -0.058 0.000 0.471 656 P HA -0.261 nan 4.420 nan 0.000 0.216 656 P C 1.401 178.642 177.300 -0.099 0.000 1.167 656 P CA 2.057 65.112 63.100 -0.074 0.000 0.933 656 P CB -0.061 31.607 31.700 -0.054 0.000 0.793 657 L N -4.447 116.711 121.223 -0.107 0.000 2.195 657 L HA -0.437 nan 4.340 nan 0.000 0.225 657 L C 1.855 178.636 176.870 -0.148 0.000 1.096 657 L CA 3.032 57.801 54.840 -0.118 0.000 0.814 657 L CB -0.384 41.603 42.059 -0.119 0.000 0.901 657 L HN -0.054 8.120 8.230 -0.094 0.000 0.446 658 M N -3.239 116.201 119.600 -0.266 0.000 2.106 658 M HA -0.541 nan 4.480 nan 0.000 0.259 658 M C 2.260 178.549 176.300 -0.019 0.000 1.068 658 M CA 3.838 58.904 55.300 -0.391 0.000 1.100 658 M CB -0.376 31.768 32.600 -0.760 0.000 1.351 658 M HN -0.856 7.237 8.290 -0.285 0.026 0.404 659 R N -2.240 118.243 120.500 -0.029 0.000 2.148 659 R HA -0.313 nan 4.340 nan 0.000 0.227 659 R C 1.837 178.105 176.300 -0.053 0.000 1.103 659 R CA 3.556 59.665 56.100 0.015 0.000 0.983 659 R CB -0.234 30.070 30.300 0.007 0.000 0.874 659 R HN 0.339 8.561 8.270 -0.080 0.000 0.451 660 R N -0.590 119.862 120.500 -0.079 0.000 2.090 660 R HA -0.200 nan 4.340 nan 0.000 0.228 660 R C 1.724 177.952 176.300 -0.120 0.000 1.110 660 R CA 2.994 59.019 56.100 -0.124 0.000 0.973 660 R CB -0.205 30.033 30.300 -0.102 0.000 0.869 660 R HN -0.638 7.495 8.270 -0.071 0.094 0.440 661 A N -1.503 121.287 122.820 -0.051 0.000 1.898 661 A HA -0.187 nan 4.320 nan 0.000 0.216 661 A C 1.777 179.368 177.584 0.012 0.000 1.181 661 A CA 2.793 54.809 52.037 -0.034 0.000 0.620 661 A CB -0.896 18.128 19.000 0.040 0.000 0.819 661 A HN -0.451 7.682 8.150 -0.028 0.000 0.442 662 A N -1.358 121.528 122.820 0.110 0.000 1.851 662 A HA -0.370 nan 4.320 nan 0.000 0.216 662 A C 1.973 179.536 177.584 -0.035 0.000 1.195 662 A CA 3.255 55.377 52.037 0.140 0.000 0.622 662 A CB -0.797 18.340 19.000 0.229 0.000 0.831 662 A HN 0.288 8.425 8.150 0.155 0.106 0.444 663 K N -2.344 117.888 120.400 -0.279 0.000 2.059 663 K HA -0.478 nan 4.320 nan 0.000 0.212 663 K C 2.425 178.699 176.600 -0.544 0.000 1.050 663 K CA 3.908 59.763 56.287 -0.721 0.000 0.927 663 K CB -0.320 31.570 32.500 -1.017 0.000 0.714 663 K HN -0.084 8.017 8.250 -0.249 0.000 0.447 664 T N 1.852 116.205 114.554 -0.334 0.000 2.803 664 T HA -0.238 nan 4.350 nan 0.000 0.269 664 T C 2.467 177.079 174.700 -0.146 0.000 1.052 664 T CA 4.338 66.316 62.100 -0.203 0.000 1.136 664 T CB -0.631 68.148 68.868 -0.149 0.000 0.864 664 T HN -0.414 7.647 8.240 -0.297 0.000 0.467 665 I N 1.204 121.684 120.570 -0.150 0.000 2.333 665 I HA -0.341 nan 4.170 nan 0.000 0.246 665 I C 1.413 177.354 176.117 -0.292 0.000 1.106 665 I CA 1.096 62.256 61.300 -0.233 0.000 1.411 665 I CB -1.769 36.080 38.000 -0.253 0.000 1.082 665 I HN -0.200 7.848 8.210 -0.121 0.090 0.420 666 N N 1.296 119.917 118.700 -0.130 0.000 2.061 666 N HA -0.348 nan 4.740 nan 0.000 0.193 666 N C 2.886 178.545 175.510 0.248 0.000 1.030 666 N CA 3.547 56.644 53.050 0.078 0.000 0.856 666 N CB -0.163 38.503 38.487 0.297 0.000 1.023 666 N HN 0.094 8.421 8.380 -0.088 0.000 0.424 667 F N -2.544 117.359 119.950 -0.077 0.000 2.234 667 F HA -0.012 nan 4.527 nan 0.000 0.296 667 F C 1.869 177.487 175.800 -0.303 0.000 1.089 667 F CA 0.781 58.725 58.000 -0.093 0.000 1.343 667 F CB -0.496 38.486 39.000 -0.030 0.000 1.040 667 F HN 0.350 8.769 8.300 0.198 0.000 0.498 668 G N -0.685 108.049 108.800 -0.110 0.000 2.421 668 G HA2 -0.297 nan 3.960 nan 0.000 0.217 668 G HA3 -0.297 nan 3.960 nan 0.000 0.217 668 G C 1.338 176.027 174.900 -0.351 0.000 1.143 668 G CA 1.629 46.539 45.100 -0.316 0.000 0.784 668 G HN -0.564 7.613 8.290 -0.037 0.091 0.541 669 V N 3.195 122.964 119.914 -0.240 0.000 2.295 669 V HA -0.404 nan 4.120 nan 0.000 0.246 669 V C 2.226 178.392 176.094 0.120 0.000 1.049 669 V CA 3.621 65.864 62.300 -0.095 0.000 1.024 669 V CB -0.535 31.181 31.823 -0.180 0.000 0.648 669 V HN 0.091 8.126 8.190 -0.260 0.000 0.447 670 L N -4.015 117.264 121.223 0.094 0.000 2.186 670 L HA -0.451 nan 4.340 nan 0.000 0.221 670 L C 0.699 177.768 176.870 0.332 0.000 1.087 670 L CA 2.901 57.849 54.840 0.180 0.000 0.794 670 L CB -0.192 41.864 42.059 -0.004 0.000 0.893 670 L HN -0.313 7.931 8.230 0.023 0.000 0.442 671 Y N -10.909 109.588 120.300 0.329 0.000 2.423 671 Y HA 0.198 nan 4.550 nan 0.000 0.257 671 Y C -0.587 175.501 175.900 0.313 0.000 1.087 671 Y CA -1.483 56.799 58.100 0.303 0.000 1.258 671 Y CB 1.773 40.324 38.460 0.152 0.000 1.237 671 Y HN -0.993 6.972 8.280 -0.472 0.032 0.517 672 G N -0.059 108.873 108.800 0.220 0.000 2.932 672 G HA2 -0.324 nan 3.960 nan 0.000 0.180 672 G HA3 -0.324 nan 3.960 nan 0.000 0.180 672 G C -1.001 173.984 174.900 0.141 0.000 1.072 672 G CA -0.519 44.675 45.100 0.156 0.000 0.997 672 G HN -0.600 7.590 8.290 -0.024 0.086 0.541 673 M N 1.584 121.205 119.600 0.036 0.000 2.266 673 M HA 0.039 nan 4.480 nan 0.000 0.340 673 M C -0.842 175.485 176.300 0.045 0.000 1.486 673 M CA 0.318 55.652 55.300 0.057 0.000 1.209 673 M CB 0.450 33.032 32.600 -0.031 0.000 1.714 673 M HN 0.174 8.330 8.290 -0.064 0.095 0.459 674 S N 6.032 121.770 115.700 0.063 0.000 2.572 674 S HA 0.040 nan 4.470 nan 0.000 0.279 674 S C 1.081 175.680 174.600 -0.002 0.000 1.341 674 S CA -0.604 57.620 58.200 0.040 0.000 1.043 674 S CB 1.902 65.125 63.200 0.040 0.000 0.887 674 S HN 0.133 8.495 8.310 0.087 0.000 0.516 675 A N 6.309 129.116 122.820 -0.021 0.000 1.894 675 A HA -0.415 nan 4.320 nan 0.000 0.220 675 A C 2.179 179.635 177.584 -0.214 0.000 1.237 675 A CA 3.363 55.344 52.037 -0.092 0.000 0.660 675 A CB -0.781 18.172 19.000 -0.077 0.000 0.835 675 A HN 0.681 8.846 8.150 0.026 0.000 0.461 676 H N -1.318 117.475 119.070 -0.462 0.000 2.421 676 H HA -0.258 nan 4.556 nan 0.000 0.298 676 H C 2.495 177.721 175.328 -0.170 0.000 1.087 676 H CA 3.668 59.483 56.048 -0.388 0.000 1.330 676 H CB -0.031 29.496 29.762 -0.391 0.000 1.388 676 H HN 0.189 8.257 8.280 -0.353 0.000 0.526 677 R N -1.468 119.042 120.500 0.017 0.000 2.075 677 R HA -0.367 nan 4.340 nan 0.000 0.232 677 R C 2.194 178.473 176.300 -0.034 0.000 1.126 677 R CA 3.088 59.203 56.100 0.025 0.000 0.963 677 R CB -0.309 30.028 30.300 0.061 0.000 0.858 677 R HN -0.396 7.777 8.270 0.014 0.106 0.435 678 L N -0.175 121.017 121.223 -0.051 0.000 2.127 678 L HA -0.335 nan 4.340 nan 0.000 0.211 678 L C 1.932 178.742 176.870 -0.099 0.000 1.089 678 L CA 3.340 58.141 54.840 -0.065 0.000 0.757 678 L CB -0.108 41.919 42.059 -0.054 0.000 0.899 678 L HN 0.275 8.403 8.230 -0.044 0.075 0.434 679 S N -1.043 114.573 115.700 -0.141 0.000 2.395 679 S HA -0.223 nan 4.470 nan 0.000 0.225 679 S C 2.472 176.973 174.600 -0.165 0.000 1.027 679 S CA 3.844 61.943 58.200 -0.168 0.000 0.965 679 S CB -0.494 62.559 63.200 -0.246 0.000 0.812 679 S HN 0.081 8.154 8.310 -0.160 0.142 0.482 680 Q N 0.784 120.480 119.800 -0.173 0.000 2.172 680 Q HA -0.206 nan 4.340 nan 0.000 0.200 680 Q C 1.595 177.556 176.000 -0.065 0.000 0.964 680 Q CA 2.564 58.294 55.803 -0.120 0.000 0.855 680 Q CB 0.150 28.840 28.738 -0.081 0.000 0.918 680 Q HN -0.406 7.641 8.270 -0.177 0.116 0.444 681 E N -1.673 118.494 120.200 -0.055 0.000 2.011 681 E HA -0.092 nan 4.350 nan 0.000 0.191 681 E C 0.673 177.237 176.600 -0.060 0.000 0.980 681 E CA 0.738 57.115 56.400 -0.038 0.000 0.814 681 E CB 0.959 30.646 29.700 -0.022 0.000 0.775 681 E HN -0.210 8.094 8.360 -0.063 0.019 0.454 682 L N 1.529 122.704 121.223 -0.081 0.000 2.334 682 L HA 0.110 nan 4.340 nan 0.000 0.286 682 L C -1.139 175.669 176.870 -0.103 0.000 1.108 682 L CA -1.198 53.582 54.840 -0.100 0.000 0.875 682 L CB -0.367 41.615 42.059 -0.129 0.000 1.246 682 L HN -0.342 7.737 8.230 -0.083 0.101 0.439 683 A N 8.134 130.904 122.820 -0.084 0.000 3.456 683 A HA -0.221 nan 4.320 nan 0.000 0.289 683 A C -1.064 176.474 177.584 -0.076 0.000 2.118 683 A CA 1.189 53.182 52.037 -0.074 0.000 1.346 683 A CB -1.891 17.076 19.000 -0.056 0.000 0.807 683 A HN 0.113 8.197 8.150 -0.074 0.021 0.559 684 I N -3.145 117.374 120.570 -0.086 0.000 3.074 684 I HA 0.554 nan 4.170 nan 0.000 0.310 684 I C -2.630 173.457 176.117 -0.050 0.000 1.153 684 I CA -3.529 57.732 61.300 -0.064 0.000 0.993 684 I CB 2.631 40.579 38.000 -0.087 0.000 1.237 684 I HN -0.322 7.697 8.210 -0.101 0.131 0.443 685 P HA 0.135 nan 4.420 nan 0.000 0.279 685 P C -1.791 175.585 177.300 0.127 0.000 1.276 685 P CA -1.114 62.011 63.100 0.043 0.000 0.801 685 P CB 0.998 32.735 31.700 0.062 0.000 1.127 686 Y N 0.131 120.441 120.300 0.017 0.000 2.889 686 Y HA -0.019 nan 4.550 nan 0.000 0.367 686 Y C -0.774 175.159 175.900 0.056 0.000 1.197 686 Y CA -0.892 57.238 58.100 0.050 0.000 1.993 686 Y CB -1.505 37.004 38.460 0.082 0.000 2.112 686 Y HN 0.150 8.579 8.280 0.248 0.000 0.413 687 E N 1.937 122.266 120.200 0.214 0.000 3.383 687 E HA -0.025 nan 4.350 nan 0.000 0.256 687 E C 0.564 177.260 176.600 0.161 0.000 1.197 687 E CA 0.991 57.466 56.400 0.125 0.000 1.851 687 E CB 1.143 30.893 29.700 0.082 0.000 2.128 687 E HN -0.042 8.444 8.360 0.223 0.008 0.951 688 E N 1.714 122.024 120.200 0.183 0.000 2.106 688 E HA -0.285 nan 4.350 nan 0.000 0.192 688 E C 2.071 178.882 176.600 0.352 0.000 0.984 688 E CA 2.775 59.344 56.400 0.280 0.000 0.806 688 E CB -0.105 29.747 29.700 0.254 0.000 0.750 688 E HN 0.026 8.477 8.360 0.152 0.000 0.458 689 A N -1.455 121.503 122.820 0.230 0.000 1.884 689 A HA -0.429 nan 4.320 nan 0.000 0.219 689 A C 2.240 179.971 177.584 0.246 0.000 1.197 689 A CA 3.578 55.733 52.037 0.197 0.000 0.637 689 A CB -0.799 18.290 19.000 0.148 0.000 0.827 689 A HN -0.074 8.190 8.150 0.190 0.000 0.450 690 Q N -1.422 118.539 119.800 0.269 0.000 2.046 690 Q HA -0.297 nan 4.340 nan 0.000 0.200 690 Q C 2.400 178.496 176.000 0.161 0.000 0.975 690 Q CA 3.034 58.970 55.803 0.221 0.000 0.836 690 Q CB -0.541 28.309 28.738 0.187 0.000 0.896 690 Q HN -0.378 8.067 8.270 0.291 0.000 0.428 691 A N -0.689 122.211 122.820 0.134 0.000 2.070 691 A HA -0.198 nan 4.320 nan 0.000 0.220 691 A C 2.520 180.026 177.584 -0.129 0.000 1.159 691 A CA 2.560 54.604 52.037 0.011 0.000 0.656 691 A CB -0.850 18.143 19.000 -0.011 0.000 0.800 691 A HN -0.608 7.640 8.150 0.164 0.000 0.453 692 F N -2.251 117.692 119.950 -0.012 0.000 2.293 692 F HA -0.198 nan 4.527 nan 0.000 0.297 692 F C 1.415 177.201 175.800 -0.024 0.000 1.089 692 F CA 3.807 61.772 58.000 -0.059 0.000 1.377 692 F CB 0.183 39.138 39.000 -0.075 0.000 1.051 692 F HN 0.029 8.541 8.300 0.389 0.021 0.511 693 I N -0.198 120.472 120.570 0.166 0.000 2.163 693 I HA -0.507 nan 4.170 nan 0.000 0.243 693 I C 2.093 178.322 176.117 0.187 0.000 1.085 693 I CA 2.598 63.986 61.300 0.147 0.000 1.347 693 I CB -1.392 36.733 38.000 0.208 0.000 1.044 693 I HN -0.574 7.755 8.210 0.199 0.000 0.408 694 E N -1.937 118.349 120.200 0.144 0.000 2.274 694 E HA -0.224 nan 4.350 nan 0.000 0.194 694 E C 3.012 179.616 176.600 0.006 0.000 0.996 694 E CA 2.189 58.665 56.400 0.127 0.000 0.840 694 E CB -0.708 29.030 29.700 0.064 0.000 0.772 694 E HN -0.382 8.047 8.360 0.113 -0.001 0.491 695 R N 0.111 120.533 120.500 -0.130 0.000 2.093 695 R HA -0.215 nan 4.340 nan 0.000 0.224 695 R C 2.162 178.366 176.300 -0.160 0.000 1.101 695 R CA 3.165 59.129 56.100 -0.226 0.000 0.979 695 R CB 0.102 30.098 30.300 -0.508 0.000 0.877 695 R HN -0.493 7.566 8.270 -0.164 0.113 0.441 696 Y N 1.863 122.018 120.300 -0.241 0.000 2.097 696 Y HA -0.417 nan 4.550 nan 0.000 0.282 696 Y C 1.703 177.407 175.900 -0.327 0.000 1.152 696 Y CA 3.968 61.887 58.100 -0.302 0.000 1.136 696 Y CB 0.116 38.328 38.460 -0.414 0.000 0.975 696 Y HN -0.272 8.017 8.280 0.015 0.000 0.498 697 F N -5.960 113.993 119.950 0.005 0.000 2.748 697 F HA -0.145 nan 4.527 nan 0.000 0.299 697 F C 1.188 176.912 175.800 -0.127 0.000 1.154 697 F CA 1.600 59.557 58.000 -0.071 0.000 1.446 697 F CB -0.672 38.351 39.000 0.037 0.000 1.112 697 F HN -0.494 7.777 8.300 -0.048 0.000 0.584 698 Q N -1.838 117.950 119.800 -0.020 0.000 2.163 698 Q HA -0.099 nan 4.340 nan 0.000 0.198 698 Q C 0.785 176.682 176.000 -0.171 0.000 0.954 698 Q CA 2.094 57.861 55.803 -0.060 0.000 0.851 698 Q CB 0.304 29.005 28.738 -0.061 0.000 0.928 698 Q HN -0.630 7.486 8.270 -0.038 0.131 0.459 699 S N -0.824 114.647 115.700 -0.381 0.000 2.357 699 S HA -0.146 nan 4.470 nan 0.000 0.221 699 S C 0.558 174.511 174.600 -1.079 0.000 1.031 699 S CA 3.004 60.694 58.200 -0.849 0.000 0.982 699 S CB 0.786 63.248 63.200 -1.229 0.000 0.853 699 S HN -0.429 7.666 8.310 -0.359 0.000 0.458 700 F N -1.733 117.919 119.950 -0.497 0.000 2.449 700 F HA 0.419 nan 4.527 nan 0.000 0.329 700 F C -1.363 174.359 175.800 -0.131 0.000 1.245 700 F CA -3.640 54.109 58.000 -0.418 0.000 1.193 700 F CB 0.106 38.727 39.000 -0.631 0.000 1.425 700 F HN -0.250 7.662 8.300 -0.647 0.000 0.544 701 P HA -0.053 nan 4.420 nan 0.000 0.226 701 P C 0.972 178.335 177.300 0.106 0.000 1.161 701 P CA 1.280 64.445 63.100 0.109 0.000 0.804 701 P CB 0.533 32.256 31.700 0.038 0.000 0.829 702 K N -1.479 118.979 120.400 0.096 0.000 2.362 702 K HA -0.129 nan 4.320 nan 0.000 0.200 702 K C 2.075 178.778 176.600 0.172 0.000 1.046 702 K CA 2.777 59.125 56.287 0.102 0.000 0.952 702 K CB -0.428 32.114 32.500 0.069 0.000 0.753 702 K HN -0.391 8.063 8.250 0.077 -0.158 0.466 703 V N -0.188 119.861 119.914 0.225 0.000 2.427 703 V HA -0.333 nan 4.120 nan 0.000 0.248 703 V C 1.793 178.065 176.094 0.298 0.000 1.051 703 V CA 4.213 66.717 62.300 0.339 0.000 1.048 703 V CB -0.603 31.477 31.823 0.428 0.000 0.666 703 V HN -0.383 7.913 8.190 0.218 0.026 0.456 704 R N -0.522 120.037 120.500 0.098 0.000 2.090 704 R HA -0.250 nan 4.340 nan 0.000 0.228 704 R C 1.608 177.847 176.300 -0.102 0.000 1.110 704 R CA 2.455 58.392 56.100 -0.272 0.000 0.973 704 R CB -0.821 29.174 30.300 -0.507 0.000 0.869 704 R HN -0.455 7.806 8.270 0.184 0.120 0.440 705 A N 0.267 123.091 122.820 0.007 0.000 1.873 705 A HA -0.315 nan 4.320 nan 0.000 0.218 705 A C 1.658 179.284 177.584 0.070 0.000 1.193 705 A CA 3.135 55.188 52.037 0.028 0.000 0.629 705 A CB -1.119 17.920 19.000 0.064 0.000 0.826 705 A HN -0.074 8.036 8.150 0.034 0.060 0.447 706 W N -0.836 120.457 121.300 -0.011 0.000 2.317 706 W HA -0.479 nan 4.660 nan 0.000 0.318 706 W C 1.764 178.298 176.519 0.025 0.000 1.227 706 W CA 3.310 60.667 57.345 0.020 0.000 1.269 706 W CB 0.112 29.612 29.460 0.066 0.000 1.155 706 W HN 0.037 8.418 8.180 0.334 0.000 0.484 707 I N -1.663 118.837 120.570 -0.117 0.000 2.179 707 I HA -0.712 nan 4.170 nan 0.000 0.242 707 I C 1.995 177.955 176.117 -0.262 0.000 1.088 707 I CA 4.290 65.436 61.300 -0.256 0.000 1.357 707 I CB -0.399 37.432 38.000 -0.283 0.000 1.051 707 I HN -0.128 8.156 8.210 0.125 0.000 0.409 708 E N -1.435 118.643 120.200 -0.203 0.000 2.110 708 E HA -0.367 nan 4.350 nan 0.000 0.193 708 E C 2.630 179.124 176.600 -0.176 0.000 0.988 708 E CA 2.789 59.086 56.400 -0.172 0.000 0.804 708 E CB -0.810 28.808 29.700 -0.137 0.000 0.745 708 E HN 0.093 8.347 8.360 -0.177 0.000 0.458 709 K N 0.118 120.401 120.400 -0.196 0.000 1.985 709 K HA -0.267 nan 4.320 nan 0.000 0.210 709 K C 2.311 178.736 176.600 -0.290 0.000 1.047 709 K CA 3.390 59.553 56.287 -0.206 0.000 0.932 709 K CB 0.090 32.483 32.500 -0.178 0.000 0.716 709 K HN 0.257 8.299 8.250 -0.183 0.098 0.439 710 T N -0.372 113.898 114.554 -0.473 0.000 2.788 710 T HA -0.199 nan 4.350 nan 0.000 0.268 710 T C 2.529 177.060 174.700 -0.282 0.000 1.044 710 T CA 3.724 65.535 62.100 -0.481 0.000 1.139 710 T CB -0.616 67.795 68.868 -0.762 0.000 0.867 710 T HN 0.156 8.042 8.240 -0.590 0.000 0.454 711 L N 1.094 122.183 121.223 -0.224 0.000 2.046 711 L HA -0.298 nan 4.340 nan 0.000 0.208 711 L C 1.931 178.719 176.870 -0.136 0.000 1.077 711 L CA 3.087 57.839 54.840 -0.146 0.000 0.747 711 L CB -0.925 41.062 42.059 -0.120 0.000 0.896 711 L HN -0.021 8.058 8.230 -0.251 0.000 0.432 712 E N -0.777 119.337 120.200 -0.145 0.000 2.051 712 E HA -0.405 nan 4.350 nan 0.000 0.192 712 E C 2.239 178.757 176.600 -0.136 0.000 0.991 712 E CA 2.947 59.273 56.400 -0.123 0.000 0.799 712 E CB -0.413 29.218 29.700 -0.116 0.000 0.748 712 E HN -0.561 7.702 8.360 -0.162 0.000 0.449 713 E N -0.760 119.339 120.200 -0.167 0.000 2.110 713 E HA -0.279 nan 4.350 nan 0.000 0.193 713 E C 2.474 178.940 176.600 -0.222 0.000 0.988 713 E CA 2.556 58.840 56.400 -0.193 0.000 0.804 713 E CB -0.119 29.455 29.700 -0.209 0.000 0.745 713 E HN 0.031 8.282 8.360 -0.182 0.000 0.458 714 G N -1.775 106.907 108.800 -0.197 0.000 2.408 714 G HA2 -0.238 nan 3.960 nan 0.000 0.217 714 G HA3 -0.238 nan 3.960 nan 0.000 0.217 714 G C 1.683 176.500 174.900 -0.137 0.000 1.150 714 G CA 1.671 46.665 45.100 -0.177 0.000 0.776 714 G HN 0.294 8.282 8.290 -0.187 0.190 0.542 715 R N -0.059 120.375 120.500 -0.110 0.000 2.073 715 R HA -0.225 nan 4.340 nan 0.000 0.229 715 R C 1.870 178.120 176.300 -0.083 0.000 1.120 715 R CA 2.558 58.612 56.100 -0.077 0.000 0.967 715 R CB -0.131 30.131 30.300 -0.065 0.000 0.862 715 R HN -0.342 7.859 8.270 -0.116 0.000 0.436 716 R N -0.509 119.926 120.500 -0.109 0.000 2.056 716 R HA -0.177 nan 4.340 nan 0.000 0.227 716 R C 2.074 178.298 176.300 -0.127 0.000 1.149 716 R CA 2.587 58.625 56.100 -0.103 0.000 0.937 716 R CB 0.288 30.522 30.300 -0.109 0.000 0.835 716 R HN -0.350 7.846 8.270 -0.123 0.000 0.430 717 R N -4.703 115.662 120.500 -0.225 0.000 2.148 717 R HA -0.111 nan 4.340 nan 0.000 0.227 717 R C 0.954 177.092 176.300 -0.269 0.000 1.103 717 R CA 0.685 56.575 56.100 -0.350 0.000 0.983 717 R CB 0.422 30.281 30.300 -0.735 0.000 0.874 717 R HN -0.124 7.997 8.270 -0.248 0.000 0.451 718 G N -2.649 106.044 108.800 -0.179 0.000 2.141 718 G HA2 -0.286 nan 3.960 nan 0.000 0.242 718 G HA3 -0.286 nan 3.960 nan 0.000 0.242 718 G C -2.040 172.874 174.900 0.022 0.000 0.982 718 G CA 0.391 45.490 45.100 -0.001 0.000 0.662 718 G HN -0.063 8.088 8.290 -0.193 0.023 0.527 719 Y N -7.637 112.545 120.300 -0.196 0.000 2.662 719 Y HA 0.680 nan 4.550 nan 0.000 0.334 719 Y C -2.590 173.170 175.900 -0.234 0.000 1.185 719 Y CA -2.340 55.553 58.100 -0.344 0.000 1.074 719 Y CB 1.569 39.526 38.460 -0.838 0.000 1.330 719 Y HN -1.133 6.890 8.280 -0.429 0.000 0.458 720 V N -5.603 114.328 119.914 0.029 0.000 3.046 720 V HA 0.595 nan 4.120 nan 0.000 0.316 720 V C -2.556 173.595 176.094 0.096 0.000 1.104 720 V CA -3.261 59.047 62.300 0.013 0.000 1.006 720 V CB 2.933 34.739 31.823 -0.027 0.000 1.058 720 V HN 0.883 9.090 8.190 0.029 0.000 0.440 721 E N -1.050 119.202 120.200 0.086 0.000 2.340 721 E HA 0.769 nan 4.350 nan 0.000 0.273 721 E C -0.759 175.889 176.600 0.081 0.000 0.891 721 E CA -1.787 54.664 56.400 0.085 0.000 0.757 721 E CB 3.558 33.332 29.700 0.123 0.000 1.231 721 E HN -0.215 8.179 8.360 0.057 0.000 0.439 722 T N -4.134 110.458 114.554 0.063 0.000 2.729 722 T HA 0.264 nan 4.350 nan 0.000 0.298 722 T C 1.587 176.277 174.700 -0.017 0.000 1.013 722 T CA -0.735 61.390 62.100 0.041 0.000 0.957 722 T CB 1.417 70.320 68.868 0.058 0.000 1.130 722 T HN 0.419 8.695 8.240 0.060 0.000 0.526 723 L N 0.666 121.787 121.223 -0.170 0.000 2.043 723 L HA -0.324 nan 4.340 nan 0.000 0.212 723 L C 0.745 177.382 176.870 -0.389 0.000 1.075 723 L CA 2.623 57.250 54.840 -0.354 0.000 0.752 723 L CB 0.057 41.706 42.059 -0.683 0.000 0.891 723 L HN 0.279 8.404 8.230 -0.176 0.000 0.432 724 F N -4.763 115.152 119.950 -0.059 0.000 2.512 724 F HA 0.069 nan 4.527 nan 0.000 0.296 724 F C 0.533 176.340 175.800 0.011 0.000 1.110 724 F CA 1.254 59.230 58.000 -0.041 0.000 1.446 724 F CB 0.604 39.602 39.000 -0.003 0.000 1.092 724 F HN -0.024 8.115 8.300 -0.229 0.024 0.554 725 G N -3.860 105.040 108.800 0.167 0.000 2.227 725 G HA2 -0.371 nan 3.960 nan 0.000 0.168 725 G HA3 -0.371 nan 3.960 nan 0.000 0.168 725 G C -1.434 173.517 174.900 0.085 0.000 1.006 725 G CA -0.661 44.509 45.100 0.116 0.000 0.684 725 G HN -0.655 7.602 8.290 0.121 0.106 0.489 726 R N 1.271 121.833 120.500 0.104 0.000 2.590 726 R HA -0.070 nan 4.340 nan 0.000 0.274 726 R C -1.499 174.796 176.300 -0.008 0.000 1.061 726 R CA 0.800 56.926 56.100 0.043 0.000 1.081 726 R CB 1.145 31.480 30.300 0.059 0.000 0.984 726 R HN -0.665 7.697 8.270 0.154 0.000 0.448 727 R N 2.845 123.300 120.500 -0.074 0.000 2.771 727 R HA 0.801 nan 4.340 nan 0.000 0.274 727 R C -1.897 174.338 176.300 -0.108 0.000 0.987 727 R CA -2.150 53.879 56.100 -0.119 0.000 0.908 727 R CB 3.173 33.273 30.300 -0.334 0.000 1.213 727 R HN 0.326 8.544 8.270 -0.085 0.000 0.468 728 R N 2.033 122.486 120.500 -0.078 0.000 2.599 728 R HA 0.327 nan 4.340 nan 0.000 0.295 728 R C -1.934 174.350 176.300 -0.027 0.000 0.963 728 R CA -1.722 54.382 56.100 0.007 0.000 0.883 728 R CB 3.981 34.296 30.300 0.025 0.000 1.171 728 R HN 0.664 8.898 8.270 -0.060 0.000 0.450 729 Y N 3.276 123.607 120.300 0.052 0.000 2.316 729 Y HA 0.012 nan 4.550 nan 0.000 0.331 729 Y C 0.195 176.137 175.900 0.071 0.000 1.083 729 Y CA 0.625 58.783 58.100 0.097 0.000 1.206 729 Y CB 0.645 39.139 38.460 0.056 0.000 1.195 729 Y HN 0.363 8.878 8.280 0.392 0.000 0.497 730 V N 0.677 120.675 119.914 0.141 0.000 2.446 730 V HA 0.496 nan 4.120 nan 0.000 0.257 730 V C -0.507 175.635 176.094 0.081 0.000 1.036 730 V CA -4.138 58.217 62.300 0.091 0.000 1.196 730 V CB -1.304 30.545 31.823 0.044 0.000 1.446 730 V HN 0.229 8.491 8.190 0.120 0.000 0.558 731 P HA -0.175 nan 4.420 nan 0.000 0.218 731 P C 0.674 178.001 177.300 0.046 0.000 1.148 731 P CA 2.518 65.665 63.100 0.078 0.000 0.822 731 P CB 0.054 31.805 31.700 0.084 0.000 0.784 732 D N -0.825 119.601 120.400 0.043 0.000 2.378 732 D HA -0.091 nan 4.640 nan 0.000 0.227 732 D C 2.401 178.715 176.300 0.023 0.000 1.012 732 D CA 2.201 56.219 54.000 0.030 0.000 0.905 732 D CB -0.816 40.003 40.800 0.032 0.000 0.895 732 D HN 0.241 8.614 8.370 0.052 0.029 0.532 733 L N -1.244 119.991 121.223 0.019 0.000 2.263 733 L HA -0.424 nan 4.340 nan 0.000 0.216 733 L C 0.658 177.528 176.870 -0.000 0.000 1.111 733 L CA 2.747 57.591 54.840 0.006 0.000 0.773 733 L CB -0.234 41.820 42.059 -0.009 0.000 0.906 733 L HN -0.327 7.865 8.230 0.024 0.052 0.439 734 E N -4.903 115.298 120.200 0.002 0.000 2.498 734 E HA 0.002 nan 4.350 nan 0.000 0.203 734 E C 1.690 178.292 176.600 0.003 0.000 1.013 734 E CA -0.409 55.990 56.400 -0.002 0.000 0.927 734 E CB -0.496 29.201 29.700 -0.004 0.000 1.012 734 E HN -0.715 7.611 8.360 0.007 0.038 0.482 735 A N 0.867 123.692 122.820 0.008 0.000 2.310 735 A HA -0.242 nan 4.320 nan 0.000 0.216 735 A C -0.110 177.479 177.584 0.008 0.000 1.197 735 A CA 1.533 53.576 52.037 0.010 0.000 0.690 735 A CB -0.802 18.207 19.000 0.014 0.000 0.779 735 A HN 0.077 8.037 8.150 0.011 0.197 0.496 736 R N -6.176 114.328 120.500 0.005 0.000 3.591 736 R HA -0.434 nan 4.340 nan 0.000 0.268 736 R C -1.637 174.667 176.300 0.006 0.000 1.102 736 R CA 1.136 57.239 56.100 0.004 0.000 0.732 736 R CB -1.690 28.611 30.300 0.003 0.000 1.117 736 R HN -0.266 7.923 8.270 0.004 0.083 0.472 737 V N -2.076 117.843 119.914 0.008 0.000 2.569 737 V HA 0.158 nan 4.120 nan 0.000 0.301 737 V C 0.350 176.451 176.094 0.012 0.000 1.044 737 V CA -1.370 60.935 62.300 0.010 0.000 0.874 737 V CB 3.078 34.907 31.823 0.010 0.000 1.002 737 V HN -0.405 7.748 8.190 0.010 0.043 0.424 738 K N 6.531 126.938 120.400 0.012 0.000 2.057 738 K HA -0.204 nan 4.320 nan 0.000 0.207 738 K C 2.062 178.673 176.600 0.019 0.000 1.049 738 K CA 2.604 58.900 56.287 0.015 0.000 0.931 738 K CB -0.465 32.044 32.500 0.015 0.000 0.714 738 K HN 0.527 8.784 8.250 0.011 0.000 0.440 739 S N -2.223 113.488 115.700 0.018 0.000 2.370 739 S HA -0.243 nan 4.470 nan 0.000 0.226 739 S C 2.102 176.717 174.600 0.025 0.000 1.033 739 S CA 2.742 60.955 58.200 0.021 0.000 1.011 739 S CB -0.482 62.729 63.200 0.019 0.000 0.852 739 S HN 0.183 8.502 8.310 0.016 0.000 0.457 740 V N 1.122 121.049 119.914 0.022 0.000 2.649 740 V HA -0.041 nan 4.120 nan 0.000 0.248 740 V C 1.077 177.187 176.094 0.027 0.000 1.054 740 V CA 2.021 64.335 62.300 0.025 0.000 1.073 740 V CB -0.618 31.218 31.823 0.022 0.000 0.699 740 V HN -0.717 7.467 8.190 0.019 0.017 0.463 741 R N 0.619 121.132 120.500 0.023 0.000 2.115 741 R HA -0.337 nan 4.340 nan 0.000 0.226 741 R C 1.883 178.200 176.300 0.027 0.000 1.100 741 R CA 3.831 59.944 56.100 0.021 0.000 0.980 741 R CB -0.098 30.211 30.300 0.014 0.000 0.875 741 R HN -0.244 7.952 8.270 0.020 0.086 0.445 742 E N -0.902 119.317 120.200 0.031 0.000 2.110 742 E HA -0.361 nan 4.350 nan 0.000 0.193 742 E C 2.079 178.712 176.600 0.054 0.000 0.988 742 E CA 2.807 59.231 56.400 0.041 0.000 0.804 742 E CB -0.338 29.387 29.700 0.043 0.000 0.745 742 E HN -0.195 8.182 8.360 0.028 0.000 0.458 743 A N -0.731 122.119 122.820 0.050 0.000 1.851 743 A HA -0.281 nan 4.320 nan 0.000 0.216 743 A C 1.920 179.539 177.584 0.059 0.000 1.195 743 A CA 2.990 55.059 52.037 0.055 0.000 0.622 743 A CB -0.982 18.045 19.000 0.044 0.000 0.831 743 A HN -0.729 7.352 8.150 0.041 0.094 0.444 744 A N -1.995 120.854 122.820 0.049 0.000 1.917 744 A HA -0.395 nan 4.320 nan 0.000 0.219 744 A C 2.242 179.860 177.584 0.056 0.000 1.182 744 A CA 3.197 55.263 52.037 0.048 0.000 0.633 744 A CB -0.856 18.166 19.000 0.037 0.000 0.819 744 A HN 0.014 8.190 8.150 0.042 0.000 0.448 745 E N -3.344 116.888 120.200 0.054 0.000 2.268 745 E HA -0.331 nan 4.350 nan 0.000 0.195 745 E C 2.562 179.234 176.600 0.121 0.000 0.995 745 E CA 2.517 58.955 56.400 0.064 0.000 0.836 745 E CB -0.161 29.563 29.700 0.039 0.000 0.763 745 E HN -0.310 8.078 8.360 0.046 0.000 0.491 746 R N -0.117 120.462 120.500 0.132 0.000 2.057 746 R HA -0.192 nan 4.340 nan 0.000 0.229 746 R C 2.208 178.617 176.300 0.182 0.000 1.136 746 R CA 2.893 59.109 56.100 0.194 0.000 0.952 746 R CB -0.183 30.213 30.300 0.161 0.000 0.848 746 R HN -0.414 7.782 8.270 0.102 0.135 0.430 747 M N -0.135 119.535 119.600 0.116 0.000 2.108 747 M HA -0.358 nan 4.480 nan 0.000 0.261 747 M C 1.659 178.008 176.300 0.081 0.000 1.066 747 M CA 2.216 57.567 55.300 0.085 0.000 1.107 747 M CB -0.542 32.097 32.600 0.066 0.000 1.356 747 M HN -0.141 8.209 8.290 0.100 0.000 0.406 748 A N -1.448 121.423 122.820 0.085 0.000 1.940 748 A HA -0.253 nan 4.320 nan 0.000 0.219 748 A C 1.096 178.739 177.584 0.098 0.000 1.176 748 A CA 2.833 54.906 52.037 0.061 0.000 0.631 748 A CB -0.777 18.242 19.000 0.030 0.000 0.814 748 A HN 0.115 8.316 8.150 0.085 0.000 0.446 749 F N -2.615 117.345 119.950 0.017 0.000 2.293 749 F HA -0.139 nan 4.527 nan 0.000 0.297 749 F C 0.760 176.641 175.800 0.135 0.000 1.089 749 F CA 1.557 59.593 58.000 0.060 0.000 1.377 749 F CB 0.944 39.987 39.000 0.072 0.000 1.051 749 F HN -0.876 7.593 8.300 0.282 0.000 0.511 750 N N 0.108 118.746 118.700 -0.104 0.000 2.135 750 N HA -0.320 nan 4.740 nan 0.000 0.186 750 N C 2.146 177.591 175.510 -0.108 0.000 1.027 750 N CA 3.198 56.137 53.050 -0.185 0.000 0.849 750 N CB 0.273 38.751 38.487 -0.014 0.000 1.002 750 N HN -0.062 8.289 8.380 0.085 0.080 0.425 751 M N 0.399 119.984 119.600 -0.024 0.000 2.089 751 M HA -0.176 nan 4.480 nan 0.000 0.257 751 M C -1.428 174.882 176.300 0.018 0.000 1.071 751 M CA 4.582 59.885 55.300 0.005 0.000 1.096 751 M CB -2.273 30.341 32.600 0.023 0.000 1.330 751 M HN 0.327 8.618 8.290 0.002 0.000 0.403 752 P HA -0.158 nan 4.420 nan 0.000 0.220 752 P C 0.779 178.104 177.300 0.041 0.000 1.148 752 P CA 2.424 65.596 63.100 0.119 0.000 0.803 752 P CB -0.582 31.330 31.700 0.353 0.000 0.782 753 V N -1.942 117.948 119.914 -0.039 0.000 2.341 753 V HA -0.291 nan 4.120 nan 0.000 0.240 753 V C 2.415 178.463 176.094 -0.075 0.000 1.035 753 V CA 4.034 66.276 62.300 -0.096 0.000 1.033 753 V CB -0.706 31.008 31.823 -0.181 0.000 0.678 753 V HN -0.054 7.948 8.190 -0.077 0.142 0.464 754 Q N -0.317 119.447 119.800 -0.060 0.000 2.084 754 Q HA -0.339 nan 4.340 nan 0.000 0.202 754 Q C 2.614 178.613 176.000 -0.003 0.000 0.978 754 Q CA 3.487 59.275 55.803 -0.025 0.000 0.844 754 Q CB -0.244 28.491 28.738 -0.006 0.000 0.898 754 Q HN 0.239 8.463 8.270 -0.078 0.000 0.426 755 G N -1.685 107.118 108.800 0.006 0.000 2.446 755 G HA2 -0.368 nan 3.960 nan 0.000 0.217 755 G HA3 -0.368 nan 3.960 nan 0.000 0.217 755 G C 0.718 175.639 174.900 0.034 0.000 1.168 755 G CA 2.303 47.421 45.100 0.031 0.000 0.771 755 G HN -0.266 8.023 8.290 -0.002 0.000 0.551 756 T N 4.874 119.425 114.554 -0.005 0.000 2.821 756 T HA -0.271 nan 4.350 nan 0.000 0.267 756 T C 1.930 176.605 174.700 -0.042 0.000 1.046 756 T CA 4.740 66.818 62.100 -0.035 0.000 1.139 756 T CB -0.576 68.214 68.868 -0.130 0.000 0.871 756 T HN -0.713 7.516 8.240 -0.019 0.000 0.454 757 A N 0.679 123.458 122.820 -0.068 0.000 1.908 757 A HA -0.325 nan 4.320 nan 0.000 0.218 757 A C 1.359 178.916 177.584 -0.045 0.000 1.181 757 A CA 3.056 55.034 52.037 -0.099 0.000 0.627 757 A CB -0.835 18.118 19.000 -0.079 0.000 0.818 757 A HN -0.070 8.042 8.150 -0.063 0.000 0.445 758 A N -1.266 121.562 122.820 0.013 0.000 1.835 758 A HA -0.400 nan 4.320 nan 0.000 0.215 758 A C 1.836 179.455 177.584 0.059 0.000 1.199 758 A CA 3.218 55.285 52.037 0.049 0.000 0.615 758 A CB -0.880 18.162 19.000 0.070 0.000 0.838 758 A HN 0.124 8.209 8.150 0.014 0.073 0.444 759 D N -0.425 120.030 120.400 0.093 0.000 2.170 759 D HA -0.362 nan 4.640 nan 0.000 0.193 759 D C 2.453 178.802 176.300 0.082 0.000 1.004 759 D CA 3.312 57.378 54.000 0.111 0.000 0.860 759 D CB -0.488 40.501 40.800 0.314 0.000 0.931 759 D HN -0.284 8.147 8.370 0.102 0.000 0.448 760 L N -0.994 120.291 121.223 0.103 0.000 2.017 760 L HA -0.296 nan 4.340 nan 0.000 0.208 760 L C 2.148 179.053 176.870 0.058 0.000 1.073 760 L CA 3.042 57.912 54.840 0.050 0.000 0.745 760 L CB -0.353 41.635 42.059 -0.118 0.000 0.894 760 L HN -0.074 8.210 8.230 0.090 0.000 0.432 761 M N -1.017 118.621 119.600 0.064 0.000 2.108 761 M HA -0.471 nan 4.480 nan 0.000 0.261 761 M C 1.911 178.267 176.300 0.094 0.000 1.066 761 M CA 2.539 57.943 55.300 0.173 0.000 1.107 761 M CB -0.625 32.071 32.600 0.159 0.000 1.356 761 M HN -0.436 7.859 8.290 0.008 0.000 0.406 762 K N -1.028 119.398 120.400 0.044 0.000 2.057 762 K HA -0.322 nan 4.320 nan 0.000 0.207 762 K C 2.629 179.215 176.600 -0.022 0.000 1.049 762 K CA 3.483 59.770 56.287 0.001 0.000 0.931 762 K CB -0.253 32.246 32.500 -0.001 0.000 0.714 762 K HN -0.009 8.269 8.250 0.046 0.000 0.440 763 L N -1.741 119.465 121.223 -0.029 0.000 2.217 763 L HA -0.177 nan 4.340 nan 0.000 0.211 763 L C 1.534 178.418 176.870 0.024 0.000 1.107 763 L CA 2.161 56.974 54.840 -0.045 0.000 0.783 763 L CB -0.160 41.849 42.059 -0.084 0.000 0.919 763 L HN 0.229 8.347 8.230 -0.016 0.102 0.442 764 A N -0.562 122.303 122.820 0.075 0.000 2.016 764 A HA -0.242 nan 4.320 nan 0.000 0.217 764 A C 1.959 179.581 177.584 0.064 0.000 1.162 764 A CA 2.850 54.949 52.037 0.103 0.000 0.662 764 A CB -0.494 18.619 19.000 0.188 0.000 0.812 764 A HN 0.175 8.274 8.150 0.089 0.105 0.450 765 M N -1.445 118.179 119.600 0.041 0.000 2.160 765 M HA -0.331 nan 4.480 nan 0.000 0.264 765 M C 1.920 178.243 176.300 0.040 0.000 1.073 765 M CA 4.050 59.367 55.300 0.029 0.000 1.142 765 M CB 0.331 32.922 32.600 -0.015 0.000 1.358 765 M HN -0.342 7.876 8.290 0.038 0.095 0.422 766 V N -4.951 114.962 119.914 -0.001 0.000 2.392 766 V HA -0.349 nan 4.120 nan 0.000 0.249 766 V C 1.515 177.631 176.094 0.037 0.000 1.059 766 V CA 3.823 66.120 62.300 -0.006 0.000 1.051 766 V CB -1.246 30.536 31.823 -0.068 0.000 0.658 766 V HN -0.296 7.879 8.190 -0.024 0.000 0.455 767 K N -2.108 118.309 120.400 0.029 0.000 2.217 767 K HA -0.202 nan 4.320 nan 0.000 0.202 767 K C 1.894 178.519 176.600 0.042 0.000 1.051 767 K CA 2.185 58.492 56.287 0.034 0.000 0.952 767 K CB 0.096 32.619 32.500 0.038 0.000 0.736 767 K HN -0.445 7.818 8.250 0.021 0.000 0.453 768 L N 0.114 121.370 121.223 0.055 0.000 2.202 768 L HA -0.182 nan 4.340 nan 0.000 0.205 768 L C 0.869 177.757 176.870 0.030 0.000 1.083 768 L CA 1.779 56.639 54.840 0.033 0.000 0.790 768 L CB -0.237 41.841 42.059 0.031 0.000 0.942 768 L HN -0.651 7.478 8.230 0.064 0.139 0.452 769 F N 1.233 121.150 119.950 -0.055 0.000 2.043 769 F HA -0.333 nan 4.527 nan 0.000 0.297 769 F C -1.484 174.271 175.800 -0.076 0.000 1.118 769 F CA 6.384 64.340 58.000 -0.073 0.000 1.202 769 F CB -2.729 36.222 39.000 -0.082 0.000 0.965 769 F HN 0.298 8.732 8.300 0.223 0.000 0.482 770 P HA -0.308 nan 4.420 nan 0.000 0.216 770 P C 1.793 178.981 177.300 -0.187 0.000 1.150 770 P CA 3.018 66.030 63.100 -0.145 0.000 0.843 770 P CB -0.637 31.051 31.700 -0.021 0.000 0.787 771 R N -3.343 117.074 120.500 -0.139 0.000 2.193 771 R HA -0.096 nan 4.340 nan 0.000 0.213 771 R C 1.748 177.959 176.300 -0.148 0.000 1.055 771 R CA 2.144 58.175 56.100 -0.113 0.000 0.995 771 R CB -0.342 29.918 30.300 -0.066 0.000 0.893 771 R HN -0.578 7.587 8.270 -0.109 0.040 0.459 772 L N -1.826 119.271 121.223 -0.211 0.000 2.131 772 L HA -0.042 nan 4.340 nan 0.000 0.206 772 L C 1.643 178.362 176.870 -0.252 0.000 1.087 772 L CA 1.728 56.445 54.840 -0.205 0.000 0.767 772 L CB 0.130 42.064 42.059 -0.209 0.000 0.917 772 L HN -0.395 7.565 8.230 -0.247 0.122 0.441 773 E N 0.114 120.074 120.200 -0.400 0.000 2.049 773 E HA -0.404 nan 4.350 nan 0.000 0.198 773 E C 2.094 178.579 176.600 -0.192 0.000 1.007 773 E CA 3.509 59.698 56.400 -0.351 0.000 0.809 773 E CB -0.110 29.341 29.700 -0.414 0.000 0.749 773 E HN -0.306 7.736 8.360 -0.531 0.000 0.450 774 E N -2.738 117.367 120.200 -0.158 0.000 2.301 774 E HA -0.087 nan 4.350 nan 0.000 0.195 774 E C 0.283 176.828 176.600 -0.092 0.000 1.171 774 E CA 1.049 57.386 56.400 -0.105 0.000 1.142 774 E CB -1.290 28.359 29.700 -0.085 0.000 1.218 774 E HN -0.498 7.756 8.360 -0.176 0.000 0.448 775 M N -2.562 116.978 119.600 -0.100 0.000 2.231 775 M HA 0.152 nan 4.480 nan 0.000 0.347 775 M C 0.106 176.352 176.300 -0.089 0.000 0.901 775 M CA 0.133 55.379 55.300 -0.090 0.000 1.064 775 M CB 1.933 34.481 32.600 -0.087 0.000 1.861 775 M HN -0.063 7.946 8.290 -0.119 0.209 0.638 776 G N -1.147 107.609 108.800 -0.072 0.000 2.159 776 G HA2 -0.391 nan 3.960 nan 0.000 0.256 776 G HA3 -0.391 nan 3.960 nan 0.000 0.256 776 G C -1.195 173.741 174.900 0.060 0.000 0.977 776 G CA 0.379 45.466 45.100 -0.021 0.000 0.652 776 G HN -0.012 8.108 8.290 -0.089 0.117 0.531 777 A N 0.583 123.413 122.820 0.018 0.000 2.259 777 A HA 0.456 nan 4.320 nan 0.000 0.278 777 A C -1.076 176.564 177.584 0.094 0.000 1.107 777 A CA -0.180 51.921 52.037 0.106 0.000 0.828 777 A CB 1.340 20.348 19.000 0.013 0.000 1.111 777 A HN -0.544 7.534 8.150 -0.050 0.042 0.498 778 R N -2.632 117.936 120.500 0.114 0.000 2.725 778 R HA 0.388 nan 4.340 nan 0.000 0.277 778 R C -1.598 174.730 176.300 0.046 0.000 0.987 778 R CA -1.882 54.249 56.100 0.052 0.000 0.901 778 R CB 3.158 33.477 30.300 0.031 0.000 1.207 778 R HN 0.485 8.848 8.270 0.154 0.000 0.463 779 M N 2.917 122.562 119.600 0.076 0.000 2.113 779 M HA 0.279 nan 4.480 nan 0.000 0.352 779 M C -0.968 175.345 176.300 0.022 0.000 1.170 779 M CA -0.032 55.301 55.300 0.055 0.000 1.053 779 M CB 0.432 33.103 32.600 0.119 0.000 1.601 779 M HN 0.287 8.658 8.290 0.136 0.000 0.459 780 L N 4.144 125.349 121.223 -0.030 0.000 2.453 780 L HA 0.308 nan 4.340 nan 0.000 0.190 780 L C 0.076 176.931 176.870 -0.024 0.000 1.093 780 L CA 0.605 55.423 54.840 -0.036 0.000 0.834 780 L CB 1.262 43.271 42.059 -0.084 0.000 1.090 780 L HN 0.597 8.798 8.230 -0.047 0.000 0.489 781 L N -3.189 117.980 121.223 -0.090 0.000 2.370 781 L HA 0.263 nan 4.340 nan 0.000 0.266 781 L C -2.108 174.727 176.870 -0.059 0.000 1.002 781 L CA -1.143 53.681 54.840 -0.027 0.000 0.818 781 L CB 3.946 45.840 42.059 -0.275 0.000 1.325 781 L HN -0.517 7.639 8.230 -0.123 0.000 0.418 782 Q N 2.362 122.175 119.800 0.020 0.000 2.304 782 Q HA 0.498 nan 4.340 nan 0.000 0.270 782 Q C -1.945 174.155 176.000 0.166 0.000 1.035 782 Q CA -0.667 55.137 55.803 0.002 0.000 0.781 782 Q CB 2.462 31.094 28.738 -0.176 0.000 1.261 782 Q HN -0.035 8.424 8.270 0.315 0.000 0.444 783 V N 3.737 123.740 119.914 0.148 0.000 2.971 783 V HA 0.528 nan 4.120 nan 0.000 0.309 783 V C -0.843 175.302 176.094 0.085 0.000 1.130 783 V CA -1.706 60.638 62.300 0.073 0.000 0.964 783 V CB 2.962 34.841 31.823 0.092 0.000 1.029 783 V HN 0.395 8.674 8.190 0.149 0.000 0.427 784 H N 2.712 121.851 119.070 0.115 0.000 1.452 784 H HA -0.438 nan 4.556 nan 0.000 0.090 784 H C -0.546 174.839 175.328 0.095 0.000 1.204 784 H CA 3.197 59.295 56.048 0.083 0.000 1.901 784 H CB -0.552 29.244 29.762 0.057 0.000 2.257 784 H HN 0.490 8.594 8.280 -0.293 0.000 0.961 785 D N -0.083 120.471 120.400 0.256 0.000 2.620 785 D HA 0.189 nan 4.640 nan 0.000 0.260 785 D C -1.847 174.584 176.300 0.218 0.000 1.367 785 D CA -0.149 53.989 54.000 0.230 0.000 0.805 785 D CB 1.435 42.360 40.800 0.209 0.000 1.096 785 D HN 0.048 8.591 8.370 0.288 0.000 0.488 786 E N 0.369 120.680 120.200 0.185 0.000 2.207 786 E HA 0.783 nan 4.350 nan 0.000 0.270 786 E C -2.676 173.991 176.600 0.111 0.000 0.927 786 E CA -1.141 55.345 56.400 0.144 0.000 0.799 786 E CB 3.566 33.390 29.700 0.206 0.000 1.172 786 E HN 0.147 8.559 8.360 0.204 0.070 0.404 787 L N 4.451 125.708 121.223 0.056 0.000 2.408 787 L HA 0.732 nan 4.340 nan 0.000 0.268 787 L C -2.490 174.380 176.870 0.000 0.000 0.986 787 L CA -0.858 53.989 54.840 0.011 0.000 0.820 787 L CB 4.070 46.117 42.059 -0.020 0.000 1.303 787 L HN 0.265 8.519 8.230 0.041 0.000 0.411 788 V N 5.783 125.666 119.914 -0.053 0.000 2.409 788 V HA 0.665 nan 4.120 nan 0.000 0.291 788 V C -1.515 174.528 176.094 -0.086 0.000 1.020 788 V CA -1.480 60.760 62.300 -0.101 0.000 0.848 788 V CB 1.312 32.947 31.823 -0.314 0.000 0.990 788 V HN 0.779 8.925 8.190 -0.073 0.000 0.430 789 L N 6.966 128.164 121.223 -0.042 0.000 2.332 789 L HA 0.842 nan 4.340 nan 0.000 0.269 789 L C -1.475 175.407 176.870 0.019 0.000 1.016 789 L CA -1.757 53.078 54.840 -0.008 0.000 0.809 789 L CB 2.752 44.814 42.059 0.005 0.000 1.280 789 L HN 1.002 9.215 8.230 -0.028 0.000 0.447 790 E N -0.104 120.139 120.200 0.072 0.000 2.256 790 E HA 0.727 nan 4.350 nan 0.000 0.268 790 E C -2.350 174.440 176.600 0.316 0.000 0.877 790 E CA -1.305 55.197 56.400 0.170 0.000 0.757 790 E CB 3.864 33.621 29.700 0.095 0.000 1.183 790 E HN 0.591 8.995 8.360 0.072 0.000 0.418 791 A N 4.367 127.383 122.820 0.327 0.000 2.515 791 A HA 0.682 nan 4.320 nan 0.000 0.298 791 A C -3.479 174.041 177.584 -0.107 0.000 1.059 791 A CA -2.984 49.135 52.037 0.138 0.000 0.698 791 A CB 2.310 21.320 19.000 0.016 0.000 1.289 791 A HN 0.806 9.128 8.150 0.287 0.000 0.404 792 P HA 0.054 nan 4.420 nan 0.000 0.269 792 P C 0.834 177.927 177.300 -0.345 0.000 1.209 792 P CA -0.283 62.323 63.100 -0.823 0.000 0.776 792 P CB 0.298 31.405 31.700 -0.989 0.000 0.876 793 K N 3.863 124.121 120.400 -0.236 0.000 2.034 793 K HA -0.455 nan 4.320 nan 0.000 0.214 793 K C 2.564 179.095 176.600 -0.116 0.000 1.051 793 K CA 4.041 60.257 56.287 -0.118 0.000 0.931 793 K CB -0.438 32.014 32.500 -0.080 0.000 0.715 793 K HN -0.086 8.001 8.250 -0.271 0.000 0.446 794 E N -3.145 116.969 120.200 -0.142 0.000 2.339 794 E HA -0.258 nan 4.350 nan 0.000 0.201 794 E C 0.984 177.519 176.600 -0.108 0.000 1.015 794 E CA 2.252 58.582 56.400 -0.117 0.000 0.841 794 E CB -0.794 28.828 29.700 -0.129 0.000 0.754 794 E HN 0.429 8.685 8.360 -0.173 0.000 0.508 795 R N -7.442 112.983 120.500 -0.125 0.000 2.527 795 R HA 0.351 nan 4.340 nan 0.000 0.402 795 R C 0.349 176.599 176.300 -0.083 0.000 0.933 795 R CA -0.846 55.194 56.100 -0.101 0.000 1.171 795 R CB -0.105 30.125 30.300 -0.116 0.000 1.612 795 R HN -0.100 7.906 8.270 -0.154 0.171 0.546 796 A N 1.093 123.868 122.820 -0.076 0.000 1.948 796 A HA -0.358 nan 4.320 nan 0.000 0.220 796 A C 1.440 179.006 177.584 -0.030 0.000 1.177 796 A CA 3.514 55.526 52.037 -0.042 0.000 0.636 796 A CB -0.789 18.197 19.000 -0.024 0.000 0.815 796 A HN -0.380 7.604 8.150 -0.090 0.111 0.449 797 E N -2.091 118.090 120.200 -0.032 0.000 2.058 797 E HA -0.396 nan 4.350 nan 0.000 0.194 797 E C 2.236 178.821 176.600 -0.026 0.000 0.997 797 E CA 3.203 59.588 56.400 -0.024 0.000 0.801 797 E CB -0.813 28.872 29.700 -0.025 0.000 0.746 797 E HN 0.376 8.694 8.360 -0.039 0.019 0.450 798 A N -1.186 121.613 122.820 -0.035 0.000 1.968 798 A HA -0.085 nan 4.320 nan 0.000 0.217 798 A C 2.302 179.865 177.584 -0.035 0.000 1.169 798 A CA 2.718 54.734 52.037 -0.035 0.000 0.638 798 A CB -0.541 18.434 19.000 -0.042 0.000 0.812 798 A HN -0.485 7.551 8.150 -0.042 0.089 0.446 799 V N -0.438 119.453 119.914 -0.039 0.000 2.307 799 V HA -0.453 nan 4.120 nan 0.000 0.245 799 V C 1.759 177.837 176.094 -0.027 0.000 1.045 799 V CA 4.076 66.354 62.300 -0.036 0.000 1.024 799 V CB -1.380 30.422 31.823 -0.035 0.000 0.651 799 V HN -0.121 8.044 8.190 -0.043 0.000 0.449 800 A N -1.077 121.731 122.820 -0.021 0.000 1.917 800 A HA -0.433 nan 4.320 nan 0.000 0.219 800 A C 1.931 179.503 177.584 -0.020 0.000 1.182 800 A CA 3.445 55.472 52.037 -0.017 0.000 0.633 800 A CB -0.849 18.144 19.000 -0.011 0.000 0.819 800 A HN 0.128 8.265 8.150 -0.021 0.000 0.448 801 R N -1.819 118.669 120.500 -0.020 0.000 2.073 801 R HA -0.281 nan 4.340 nan 0.000 0.234 801 R C 2.322 178.611 176.300 -0.019 0.000 1.134 801 R CA 3.249 59.338 56.100 -0.017 0.000 0.952 801 R CB -0.062 30.228 30.300 -0.017 0.000 0.850 801 R HN -0.625 7.559 8.270 -0.020 0.073 0.433 802 L N -1.098 120.111 121.223 -0.022 0.000 2.093 802 L HA -0.194 nan 4.340 nan 0.000 0.208 802 L C 1.500 178.357 176.870 -0.022 0.000 1.085 802 L CA 2.898 57.725 54.840 -0.022 0.000 0.755 802 L CB -0.535 41.507 42.059 -0.028 0.000 0.904 802 L HN -0.362 7.781 8.230 -0.025 0.072 0.435 803 A N -1.028 121.776 122.820 -0.027 0.000 1.877 803 A HA -0.393 nan 4.320 nan 0.000 0.216 803 A C 1.575 179.134 177.584 -0.043 0.000 1.186 803 A CA 3.390 55.408 52.037 -0.032 0.000 0.620 803 A CB -0.932 18.046 19.000 -0.036 0.000 0.822 803 A HN 0.499 8.633 8.150 -0.028 0.000 0.443 804 K N -1.048 119.325 120.400 -0.045 0.000 2.044 804 K HA -0.403 nan 4.320 nan 0.000 0.210 804 K C 1.666 178.250 176.600 -0.027 0.000 1.049 804 K CA 3.581 59.837 56.287 -0.051 0.000 0.927 804 K CB -0.209 32.270 32.500 -0.036 0.000 0.713 804 K HN -0.534 7.693 8.250 -0.037 0.000 0.443 805 E N -0.841 119.352 120.200 -0.012 0.000 2.051 805 E HA -0.315 nan 4.350 nan 0.000 0.192 805 E C 2.491 179.101 176.600 0.016 0.000 0.991 805 E CA 3.202 59.604 56.400 0.003 0.000 0.799 805 E CB 0.114 29.814 29.700 -0.000 0.000 0.748 805 E HN -0.627 7.724 8.360 -0.016 0.000 0.449 806 V N -0.072 119.850 119.914 0.014 0.000 2.427 806 V HA -0.375 nan 4.120 nan 0.000 0.248 806 V C 1.695 177.826 176.094 0.061 0.000 1.051 806 V CA 3.844 66.163 62.300 0.033 0.000 1.048 806 V CB -0.473 31.363 31.823 0.021 0.000 0.666 806 V HN -0.132 8.058 8.190 0.001 0.000 0.456 807 M N -2.725 116.898 119.600 0.038 0.000 2.099 807 M HA -0.361 nan 4.480 nan 0.000 0.262 807 M C 2.676 179.078 176.300 0.170 0.000 1.067 807 M CA 4.028 59.374 55.300 0.077 0.000 1.124 807 M CB 0.264 32.776 32.600 -0.146 0.000 1.353 807 M HN -0.135 8.154 8.290 -0.000 0.000 0.410 808 E N -1.299 118.961 120.200 0.101 0.000 2.204 808 E HA -0.257 nan 4.350 nan 0.000 0.194 808 E C 2.209 178.878 176.600 0.115 0.000 0.989 808 E CA 2.110 58.589 56.400 0.132 0.000 0.824 808 E CB -0.068 29.674 29.700 0.071 0.000 0.756 808 E HN 0.174 8.556 8.360 0.038 0.000 0.477 809 G N -3.726 105.131 108.800 0.094 0.000 3.434 809 G HA2 0.170 nan 3.960 nan 0.000 0.258 809 G HA3 0.170 nan 3.960 nan 0.000 0.258 809 G C -0.116 174.847 174.900 0.104 0.000 1.128 809 G CA -0.599 44.547 45.100 0.077 0.000 0.792 809 G HN -0.596 7.722 8.290 0.083 0.022 0.539 810 V N -0.333 119.673 119.914 0.154 0.000 2.380 810 V HA -0.230 nan 4.120 nan 0.000 0.251 810 V C -0.982 175.273 176.094 0.268 0.000 1.063 810 V CA 2.443 64.857 62.300 0.190 0.000 1.055 810 V CB 0.399 32.350 31.823 0.213 0.000 0.657 810 V HN -0.861 7.377 8.190 0.172 0.055 0.455 811 Y N -2.944 117.411 120.300 0.092 0.000 2.519 811 Y HA 0.442 nan 4.550 nan 0.000 0.336 811 Y C -2.741 173.172 175.900 0.021 0.000 1.089 811 Y CA -3.424 54.737 58.100 0.101 0.000 1.025 811 Y CB 2.791 41.367 38.460 0.194 0.000 1.318 811 Y HN -0.506 7.888 8.280 0.230 0.024 0.452 812 P HA 0.098 nan 4.420 nan 0.000 0.274 812 P C -1.837 175.328 177.300 -0.225 0.000 1.291 812 P CA 0.078 63.016 63.100 -0.269 0.000 0.815 812 P CB -0.025 31.503 31.700 -0.286 0.000 0.897 813 L N 3.049 124.191 121.223 -0.134 0.000 2.347 813 L HA 0.247 nan 4.340 nan 0.000 0.268 813 L C 0.587 177.401 176.870 -0.094 0.000 1.019 813 L CA -1.385 53.308 54.840 -0.244 0.000 0.806 813 L CB 2.317 44.199 42.059 -0.296 0.000 1.339 813 L HN -0.201 7.974 8.230 -0.090 0.000 0.463 814 A N 0.535 123.370 122.820 0.025 0.000 2.206 814 A HA -0.033 nan 4.320 nan 0.000 0.211 814 A C -0.756 176.857 177.584 0.050 0.000 1.158 814 A CA 1.303 53.398 52.037 0.095 0.000 0.761 814 A CB 0.325 19.440 19.000 0.191 0.000 0.801 814 A HN 0.272 8.458 8.150 0.059 0.000 0.473 815 V N -0.371 119.545 119.914 0.004 0.000 2.709 815 V HA 0.218 nan 4.120 nan 0.000 0.308 815 V C -2.436 173.638 176.094 -0.034 0.000 1.062 815 V CA -2.623 59.679 62.300 0.005 0.000 0.901 815 V CB 1.838 33.648 31.823 -0.022 0.000 1.003 815 V HN -0.606 7.483 8.190 -0.048 0.072 0.425 816 P HA 0.071 nan 4.420 nan 0.000 0.267 816 P C -1.517 175.765 177.300 -0.030 0.000 1.205 816 P CA -0.295 62.807 63.100 0.002 0.000 0.765 816 P CB 0.658 32.380 31.700 0.037 0.000 0.828 817 L N 3.013 124.236 121.223 -0.001 0.000 2.349 817 L HA 0.093 nan 4.340 nan 0.000 0.275 817 L C -0.279 176.646 176.870 0.091 0.000 1.115 817 L CA -0.288 54.573 54.840 0.034 0.000 0.820 817 L CB 0.521 42.654 42.059 0.124 0.000 1.135 817 L HN 0.266 8.509 8.230 0.023 0.000 0.445 818 E N 3.244 123.504 120.200 0.100 0.000 2.166 818 E HA 0.192 nan 4.350 nan 0.000 0.275 818 E C -1.515 175.134 176.600 0.081 0.000 0.941 818 E CA -0.810 55.639 56.400 0.081 0.000 0.784 818 E CB 2.206 31.945 29.700 0.065 0.000 1.115 818 E HN 0.041 8.452 8.360 0.086 0.000 0.399 819 V N 6.182 126.102 119.914 0.010 0.000 2.378 819 V HA 0.394 nan 4.120 nan 0.000 0.288 819 V C -1.443 174.626 176.094 -0.042 0.000 1.016 819 V CA -1.102 61.151 62.300 -0.078 0.000 0.840 819 V CB 1.604 33.326 31.823 -0.167 0.000 0.994 819 V HN 0.159 8.615 8.190 0.016 -0.257 0.431 820 E N 7.964 128.146 120.200 -0.031 0.000 2.259 820 E HA 0.204 nan 4.350 nan 0.000 0.281 820 E C -1.856 174.735 176.600 -0.015 0.000 1.027 820 E CA -0.621 55.776 56.400 -0.005 0.000 0.838 820 E CB 1.599 31.309 29.700 0.016 0.000 1.066 820 E HN 0.509 8.844 8.360 -0.041 0.000 0.401 821 V N 3.208 123.120 119.914 -0.004 0.000 2.588 821 V HA 0.679 nan 4.120 nan 0.000 0.304 821 V C -1.347 174.756 176.094 0.016 0.000 1.042 821 V CA -2.461 59.838 62.300 -0.001 0.000 0.877 821 V CB 2.456 34.272 31.823 -0.012 0.000 0.996 821 V HN 0.258 8.450 8.190 0.003 0.000 0.425 822 G N 7.624 116.442 108.800 0.030 0.000 2.638 822 G HA2 0.573 nan 3.960 nan 0.000 0.302 822 G HA3 0.573 nan 3.960 nan 0.000 0.302 822 G C -2.746 172.182 174.900 0.046 0.000 1.365 822 G CA -1.331 43.792 45.100 0.039 0.000 0.987 822 G HN 0.626 8.937 8.290 0.035 0.000 0.495 823 I N 1.800 122.394 120.570 0.039 0.000 2.362 823 I HA 0.505 nan 4.170 nan 0.000 0.289 823 I C -0.393 175.752 176.117 0.046 0.000 0.994 823 I CA -0.910 60.413 61.300 0.039 0.000 1.158 823 I CB 1.372 39.386 38.000 0.023 0.000 1.315 823 I HN 0.282 8.512 8.210 0.033 0.000 0.451 824 G N 6.419 115.255 108.800 0.060 0.000 2.608 824 G HA2 0.229 nan 3.960 nan 0.000 0.291 824 G HA3 0.229 nan 3.960 nan 0.000 0.291 824 G C -1.864 173.078 174.900 0.069 0.000 1.425 824 G CA 0.241 45.376 45.100 0.060 0.000 0.787 824 G HN -0.007 8.323 8.290 0.067 0.000 0.484 825 E N -1.514 118.723 120.200 0.062 0.000 2.435 825 E HA -0.141 nan 4.350 nan 0.000 0.195 825 E C -1.378 175.269 176.600 0.077 0.000 1.029 825 E CA 1.636 58.075 56.400 0.065 0.000 0.865 825 E CB 0.511 30.239 29.700 0.047 0.000 0.833 825 E HN 0.413 8.803 8.360 0.050 0.000 0.510 826 D N -7.065 113.392 120.400 0.096 0.000 2.570 826 D HA 0.266 nan 4.640 nan 0.000 0.244 826 D C -0.348 176.090 176.300 0.231 0.000 1.178 826 D CA -1.943 52.144 54.000 0.145 0.000 0.881 826 D CB 2.525 43.383 40.800 0.097 0.000 1.453 826 D HN -0.898 7.476 8.370 0.091 0.051 0.447 827 W N 0.205 121.551 121.300 0.078 0.000 2.342 827 W HA -0.274 nan 4.660 nan 0.000 0.297 827 W C 0.792 177.327 176.519 0.027 0.000 1.213 827 W CA 2.857 60.229 57.345 0.046 0.000 1.251 827 W CB 0.294 29.775 29.460 0.034 0.000 1.136 827 W HN 0.411 8.860 8.180 0.449 0.000 0.526 828 L N -3.469 117.856 121.223 0.170 0.000 2.179 828 L HA -0.240 nan 4.340 nan 0.000 0.208 828 L C 1.932 178.829 176.870 0.046 0.000 1.096 828 L CA 2.518 57.379 54.840 0.034 0.000 0.779 828 L CB -0.212 41.855 42.059 0.014 0.000 0.922 828 L HN -0.699 7.740 8.230 0.209 -0.083 0.443 829 S N -1.007 114.733 115.700 0.067 0.000 2.489 829 S HA -0.163 nan 4.470 nan 0.000 0.228 829 S C 0.938 175.575 174.600 0.062 0.000 0.995 829 S CA 2.469 60.698 58.200 0.049 0.000 0.934 829 S CB 0.213 63.438 63.200 0.042 0.000 0.771 829 S HN -0.239 8.375 8.310 0.088 -0.252 0.522 830 A N -0.057 122.822 122.820 0.098 0.000 2.067 830 A HA -0.047 nan 4.320 nan 0.000 0.217 830 A C -0.749 176.886 177.584 0.085 0.000 1.156 830 A CA 0.653 52.751 52.037 0.102 0.000 0.683 830 A CB 0.284 19.376 19.000 0.154 0.000 0.808 830 A HN -0.718 7.478 8.150 0.132 0.033 0.455 831 K N 0.326 120.767 120.400 0.069 0.000 2.319 831 K HA -0.225 nan 4.320 nan 0.000 0.277 831 K C -1.280 175.337 176.600 0.029 0.000 1.111 831 K CA 1.189 57.497 56.287 0.035 0.000 1.093 831 K CB -1.044 31.454 32.500 -0.003 0.000 0.910 831 K HN -0.746 7.408 8.250 0.072 0.139 0.452 832 E N 0.000 120.219 120.200 0.031 0.000 2.725 832 E HA 0.000 nan 4.350 nan 0.000 0.291 832 E CA 0.000 56.416 56.400 0.026 0.000 0.976 832 E CB 0.000 29.715 29.700 0.025 0.000 0.812 832 E HN 0.000 8.382 8.360 0.037 0.000 0.440