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 3git_1_E DATA FIRST_RESID 316 DATA SEQUENCE IKLDLPINFG PAFEGESIRK GDMYVEMGGN RTPAFELVRT VSESEITDGK DATA SEQUENCE IEVIGPDIDQ IPEGSKLPLG ILVDIYGRKM QADFEGVLER RIHDFINYGE DATA SEQUENCE GLWHTGQRNI NWLRVSKDAV AKGFRFKNYG EILVAKMKEE FPAIVDRVQV DATA SEQUENCE TIFTDEAKVK EYMEVAREKY KERDDRMRGL TDETVDTFYS CVLCQSFAPN DATA SEQUENCE HVCIVTPERV GLCGAVSWLD AKASYEINHA GPNQPIPKEG EIDPIKGIWK DATA SEQUENCE SVNDYLYTAS NRNLEQVCLY TLMENPMTSC GCFEAIMAIL PECNGIMITT DATA SEQUENCE RDHAGMTPSG MTFSTLAGMI GGGTQTPGFM GIGRTYIVSK KFISADGGIA DATA SEQUENCE RIVWMPKSLK DFLHDEVVRR SVEEGLGEDF IDKIADETIG TTVDEILPYL DATA SEQUENCE EEKGHPALTM DPIMRSHTSR G 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 316 I HA 0.000 nan 4.170 nan 0.000 0.288 316 I C 0.000 176.089 176.117 -0.046 0.000 1.063 316 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 316 I CB 0.000 nan 38.000 nan 0.000 1.214 317 K N 0.679 121.052 120.400 -0.044 0.000 2.270 317 K HA 0.765 5.085 4.320 -0.001 0.000 0.276 317 K C -1.031 175.524 176.600 -0.075 0.000 1.023 317 K CA 0.399 56.656 56.287 -0.050 0.000 0.955 317 K CB 0.512 32.989 32.500 -0.039 0.000 0.975 317 K HN 2.258 nan 8.250 nan 0.000 0.471 318 L N 3.450 124.618 121.223 -0.093 0.000 2.457 318 L HA 0.498 4.838 4.340 -0.001 0.000 0.266 318 L C -1.543 175.254 176.870 -0.122 0.000 0.979 318 L CA -0.047 54.709 54.840 -0.139 0.000 0.857 318 L CB 1.970 43.895 42.059 -0.223 0.000 1.213 318 L HN 0.775 nan 8.230 nan 0.000 0.418 319 D N 6.443 126.783 120.400 -0.101 0.000 2.479 319 D HA 0.384 5.024 4.640 -0.001 0.000 0.247 319 D C -0.356 175.895 176.300 -0.082 0.000 1.119 319 D CA 0.122 54.075 54.000 -0.077 0.000 0.922 319 D CB 1.178 41.944 40.800 -0.058 0.000 1.014 319 D HN 0.440 nan 8.370 nan 0.000 0.510 320 L N 2.461 123.633 121.223 -0.085 0.000 2.379 320 L HA 0.346 4.685 4.340 -0.001 0.000 0.269 320 L C -0.949 175.902 176.870 -0.031 0.000 1.084 320 L CA -1.462 53.341 54.840 -0.062 0.000 0.802 320 L CB 1.150 43.174 42.059 -0.057 0.000 1.175 320 L HN 0.102 nan 8.230 nan 0.000 0.448 321 P HA 0.097 nan 4.420 nan 0.000 0.253 321 P C -0.369 176.924 177.300 -0.011 0.000 1.260 321 P CA 0.480 63.567 63.100 -0.021 0.000 0.800 321 P CB -0.132 31.550 31.700 -0.031 0.000 1.162 322 I N -3.981 116.591 120.570 0.003 0.000 2.646 322 I HA 0.493 4.662 4.170 -0.001 0.000 0.299 322 I C -0.209 175.881 176.117 -0.045 0.000 1.036 322 I CA -1.391 59.889 61.300 -0.032 0.000 1.074 322 I CB 1.326 39.312 38.000 -0.022 0.000 1.258 322 I HN -0.376 nan 8.210 nan 0.000 0.430 323 N N 2.861 121.462 118.700 -0.163 0.000 2.344 323 N HA 0.245 4.985 4.740 -0.001 0.000 0.236 323 N C -1.206 174.212 175.510 -0.153 0.000 1.279 323 N CA 0.593 53.518 53.050 -0.209 0.000 0.882 323 N CB 0.604 38.757 38.487 -0.556 0.000 1.110 323 N HN 0.676 nan 8.380 nan 0.000 0.436 324 F N -0.694 119.211 119.950 -0.074 0.000 2.670 324 F HA 0.532 5.058 4.527 -0.001 0.000 0.332 324 F C -0.243 175.727 175.800 0.284 0.000 1.179 324 F CA -0.158 57.905 58.000 0.106 0.000 1.076 324 F CB 0.861 39.916 39.000 0.092 0.000 1.322 324 F HN 0.565 nan 8.300 nan 0.000 0.515 325 G N 5.044 113.764 108.800 -0.133 0.000 2.316 325 G HA2 0.294 4.253 3.960 -0.001 0.000 0.296 325 G HA3 0.294 4.253 3.960 -0.001 0.000 0.296 325 G C -2.974 171.392 174.900 -0.890 0.000 1.399 325 G CA -0.739 44.206 45.100 -0.258 0.000 0.833 325 G HN 0.249 nan 8.290 nan 0.000 0.565 326 P HA -0.067 nan 4.420 nan 0.000 0.218 326 P C 1.931 178.807 177.300 -0.708 0.000 1.146 326 P CA 2.133 64.565 63.100 -1.113 0.000 0.813 326 P CB 0.134 31.570 31.700 -0.440 0.000 0.778 327 A N -1.710 120.682 122.820 -0.714 0.000 2.067 327 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 327 A C 1.385 178.521 177.584 -0.747 0.000 1.158 327 A CA 1.020 52.599 52.037 -0.763 0.000 0.661 327 A CB -1.388 17.041 19.000 -0.952 0.000 0.801 327 A HN 0.149 nan 8.150 nan 0.000 0.452 328 F N -0.621 119.180 119.950 -0.249 0.000 2.695 328 F HA 0.217 4.744 4.527 -0.001 0.000 0.303 328 F C 1.762 177.503 175.800 -0.098 0.000 1.091 328 F CA 0.151 58.062 58.000 -0.150 0.000 1.300 328 F CB -0.111 38.806 39.000 -0.139 0.000 1.071 328 F HN 0.332 nan 8.300 nan 0.000 0.578 329 E N 0.917 121.095 120.200 -0.037 0.000 2.110 329 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 329 E C 2.231 178.919 176.600 0.147 0.000 0.988 329 E CA 1.181 57.615 56.400 0.058 0.000 0.804 329 E CB -0.274 29.450 29.700 0.041 0.000 0.745 329 E HN 0.402 nan 8.360 nan 0.000 0.458 330 G N 0.818 109.694 108.800 0.126 0.000 3.371 330 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.248 330 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.248 330 G C 0.071 175.075 174.900 0.174 0.000 1.161 330 G CA -0.409 44.813 45.100 0.203 0.000 0.796 330 G HN 0.234 nan 8.290 nan 0.000 0.539 331 E N 1.121 121.418 120.200 0.162 0.000 2.415 331 E HA 0.313 4.663 4.350 -0.001 0.000 0.262 331 E C 0.065 176.738 176.600 0.120 0.000 1.038 331 E CA -0.075 56.401 56.400 0.127 0.000 0.921 331 E CB 0.510 30.293 29.700 0.137 0.000 0.950 331 E HN 0.255 nan 8.360 nan 0.000 0.438 332 S N 3.325 119.027 115.700 0.003 0.000 2.599 332 S HA 0.605 5.075 4.470 -0.001 0.000 0.294 332 S C -0.421 174.042 174.600 -0.228 0.000 1.094 332 S CA -0.963 57.135 58.200 -0.171 0.000 0.931 332 S CB 1.088 64.180 63.200 -0.181 0.000 1.093 332 S HN 0.478 nan 8.310 nan 0.000 0.488 333 I N 1.698 122.015 120.570 -0.421 0.000 2.466 333 I HA 0.362 4.532 4.170 -0.001 0.000 0.279 333 I C 0.199 176.121 176.117 -0.326 0.000 1.033 333 I CA -0.586 60.536 61.300 -0.297 0.000 1.123 333 I CB 1.323 39.180 38.000 -0.238 0.000 1.237 333 I HN 0.527 nan 8.210 nan 0.000 0.460 334 R N 3.858 124.234 120.500 -0.206 0.000 2.694 334 R HA 0.109 4.449 4.340 -0.001 0.000 0.268 334 R C 1.377 177.606 176.300 -0.117 0.000 1.061 334 R CA -0.255 55.748 56.100 -0.162 0.000 1.133 334 R CB 0.927 31.166 30.300 -0.101 0.000 1.020 334 R HN 0.497 nan 8.270 nan 0.000 0.475 335 K N 1.589 121.935 120.400 -0.090 0.000 2.089 335 K HA -0.210 4.110 4.320 -0.001 0.000 0.210 335 K C 1.871 178.452 176.600 -0.031 0.000 1.048 335 K CA 2.005 58.265 56.287 -0.044 0.000 0.926 335 K CB -0.369 32.121 32.500 -0.016 0.000 0.714 335 K HN 0.846 nan 8.250 nan 0.000 0.448 336 G N 0.381 109.162 108.800 -0.032 0.000 2.448 336 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.219 336 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.219 336 G C 0.763 175.652 174.900 -0.017 0.000 1.127 336 G CA 1.017 46.103 45.100 -0.022 0.000 0.766 336 G HN 0.359 nan 8.290 nan 0.000 0.552 337 D N -0.506 119.880 120.400 -0.024 0.000 2.369 337 D HA 0.118 4.757 4.640 -0.001 0.000 0.211 337 D C 0.996 177.304 176.300 0.014 0.000 1.077 337 D CA -0.187 53.808 54.000 -0.008 0.000 0.842 337 D CB 0.241 41.026 40.800 -0.025 0.000 0.947 337 D HN 0.349 nan 8.370 nan 0.000 0.509 338 M N 0.480 120.084 119.600 0.007 0.000 2.185 338 M HA 0.087 4.567 4.480 -0.001 0.000 0.357 338 M C 0.265 176.616 176.300 0.085 0.000 1.260 338 M CA -0.347 54.976 55.300 0.040 0.000 1.124 338 M CB 1.244 33.853 32.600 0.015 0.000 1.600 338 M HN -0.101 nan 8.290 nan 0.000 0.467 339 Y N 5.478 125.801 120.300 0.038 0.000 2.301 339 Y HA 0.241 4.790 4.550 -0.001 0.000 0.295 339 Y C 0.078 176.037 175.900 0.099 0.000 1.126 339 Y CA 0.961 59.094 58.100 0.056 0.000 1.154 339 Y CB 0.548 39.035 38.460 0.045 0.000 1.075 339 Y HN 0.516 nan 8.280 nan 0.000 0.534 340 V N -0.608 119.517 119.914 0.352 0.000 3.102 340 V HA 0.517 4.637 4.120 -0.001 0.000 0.312 340 V C -1.060 175.198 176.094 0.274 0.000 1.135 340 V CA -1.277 61.202 62.300 0.299 0.000 1.022 340 V CB 1.998 34.085 31.823 0.439 0.000 1.056 340 V HN 0.078 nan 8.190 nan 0.000 0.436 341 E N 2.372 122.726 120.200 0.257 0.000 2.314 341 E HA 0.731 5.081 4.350 -0.001 0.000 0.272 341 E C -1.618 175.151 176.600 0.282 0.000 0.884 341 E CA -0.886 55.689 56.400 0.291 0.000 0.753 341 E CB 2.054 31.923 29.700 0.280 0.000 1.213 341 E HN 0.843 nan 8.360 nan 0.000 0.432 342 M N 1.761 121.552 119.600 0.318 0.000 2.484 342 M HA 0.721 5.201 4.480 -0.001 0.000 0.289 342 M C 0.281 176.726 176.300 0.242 0.000 1.206 342 M CA -0.122 55.309 55.300 0.217 0.000 0.892 342 M CB 0.401 33.079 32.600 0.130 0.000 1.712 342 M HN 0.699 nan 8.290 nan 0.000 0.462 343 G N 1.303 110.164 108.800 0.102 0.000 2.498 343 G HA2 0.155 4.115 3.960 -0.001 0.000 0.245 343 G HA3 0.155 4.115 3.960 -0.001 0.000 0.245 343 G C 0.536 175.295 174.900 -0.235 0.000 1.204 343 G CA 0.764 45.867 45.100 0.005 0.000 0.933 343 G HN 2.380 nan 8.290 nan 0.000 0.574 344 G N -0.309 108.200 108.800 -0.485 0.000 2.361 344 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.294 344 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.294 344 G C 0.956 175.387 174.900 -0.780 0.000 1.004 344 G CA 1.489 45.886 45.100 -1.170 0.000 0.870 344 G HN 2.316 nan 8.290 nan 0.000 0.510 345 N N -2.375 116.077 118.700 -0.412 0.000 2.900 345 N HA -0.227 4.512 4.740 -0.001 0.000 0.240 345 N C 1.775 177.160 175.510 -0.208 0.000 0.953 345 N CA 2.001 54.891 53.050 -0.268 0.000 0.950 345 N CB -0.660 37.672 38.487 -0.258 0.000 1.102 345 N HN 0.672 nan 8.380 nan 0.000 0.593 346 R N 0.290 120.651 120.500 -0.232 0.000 2.075 346 R HA 0.082 4.421 4.340 -0.001 0.000 0.226 346 R C 1.188 177.461 176.300 -0.044 0.000 1.114 346 R CA 1.813 57.850 56.100 -0.105 0.000 0.972 346 R CB 0.008 30.278 30.300 -0.051 0.000 0.869 346 R HN 0.542 nan 8.270 nan 0.000 0.437 347 T N -2.357 112.176 114.554 -0.035 0.000 2.896 347 T HA 0.497 4.847 4.350 -0.001 0.000 0.297 347 T C -2.905 171.795 174.700 0.001 0.000 1.108 347 T CA -2.442 59.660 62.100 0.003 0.000 1.004 347 T CB 2.510 71.400 68.868 0.037 0.000 1.159 347 T HN -0.223 nan 8.240 nan 0.000 0.499 348 P HA 0.506 nan 4.420 nan 0.000 0.271 348 P C -1.057 176.287 177.300 0.074 0.000 1.220 348 P CA -0.141 62.994 63.100 0.058 0.000 0.768 348 P CB 0.586 32.333 31.700 0.078 0.000 0.848 349 A N 3.347 126.224 122.820 0.094 0.000 2.574 349 A HA 0.798 5.118 4.320 -0.001 0.000 0.297 349 A C -1.235 176.451 177.584 0.170 0.000 1.062 349 A CA -0.575 51.498 52.037 0.060 0.000 0.686 349 A CB 1.149 20.152 19.000 0.005 0.000 1.285 349 A HN 0.515 nan 8.150 nan 0.000 0.403 350 F N -0.189 119.815 119.950 0.090 0.000 2.643 350 F HA 0.874 5.400 4.527 -0.001 0.000 0.314 350 F C -0.569 175.318 175.800 0.145 0.000 1.096 350 F CA -0.770 57.318 58.000 0.146 0.000 0.953 350 F CB 1.390 40.506 39.000 0.193 0.000 1.345 350 F HN 0.754 nan 8.300 nan 0.000 0.468 351 E N 1.663 122.101 120.200 0.397 0.000 2.312 351 E HA 0.767 5.117 4.350 -0.001 0.000 0.267 351 E C -2.208 174.721 176.600 0.548 0.000 0.894 351 E CA -1.211 55.372 56.400 0.305 0.000 0.773 351 E CB 2.925 32.728 29.700 0.173 0.000 1.241 351 E HN 0.811 nan 8.360 nan 0.000 0.432 352 L N 1.171 122.642 121.223 0.414 0.000 2.549 352 L HA 0.401 4.740 4.340 -0.001 0.000 0.259 352 L C -1.982 175.023 176.870 0.226 0.000 0.934 352 L CA -0.628 54.419 54.840 0.346 0.000 0.865 352 L CB 2.317 44.565 42.059 0.316 0.000 1.352 352 L HN 0.570 nan 8.230 nan 0.000 0.410 353 V N 5.057 125.075 119.914 0.174 0.000 2.459 353 V HA 0.672 4.792 4.120 -0.001 0.000 0.295 353 V C -0.246 175.909 176.094 0.101 0.000 1.029 353 V CA -0.530 61.843 62.300 0.122 0.000 0.874 353 V CB 1.827 33.703 31.823 0.088 0.000 0.985 353 V HN 0.714 nan 8.190 nan 0.000 0.438 354 R N 2.229 122.783 120.500 0.091 0.000 2.561 354 R HA 0.496 4.835 4.340 -0.001 0.000 0.297 354 R C -0.673 175.666 176.300 0.066 0.000 0.969 354 R CA -0.687 55.457 56.100 0.073 0.000 0.879 354 R CB 2.180 32.530 30.300 0.083 0.000 1.178 354 R HN 0.668 nan 8.270 nan 0.000 0.445 355 T N 2.931 117.512 114.554 0.046 0.000 2.834 355 T HA 0.230 4.580 4.350 -0.001 0.000 0.298 355 T C 0.308 175.050 174.700 0.070 0.000 0.966 355 T CA -0.343 61.786 62.100 0.048 0.000 1.141 355 T CB 0.518 69.394 68.868 0.013 0.000 0.905 355 T HN 0.407 nan 8.240 nan 0.000 0.535 356 V N 0.858 120.838 119.914 0.110 0.000 3.001 356 V HA 0.888 5.008 4.120 -0.001 0.000 0.314 356 V C 0.229 176.434 176.094 0.185 0.000 1.099 356 V CA -1.221 61.148 62.300 0.116 0.000 0.989 356 V CB 1.890 33.773 31.823 0.101 0.000 1.040 356 V HN 0.880 nan 8.190 nan 0.000 0.434 357 S N 0.874 116.648 115.700 0.124 0.000 2.600 357 S HA 0.217 4.687 4.470 -0.001 0.000 0.265 357 S C 0.936 175.492 174.600 -0.073 0.000 1.325 357 S CA 0.516 58.777 58.200 0.102 0.000 1.002 357 S CB 0.907 64.126 63.200 0.032 0.000 0.921 357 S HN 1.247 nan 8.310 nan 0.000 0.554 358 E N 0.685 120.633 120.200 -0.420 0.000 2.274 358 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 358 E C 1.595 178.009 176.600 -0.310 0.000 0.996 358 E CA 1.148 57.109 56.400 -0.731 0.000 0.840 358 E CB -0.399 28.480 29.700 -1.369 0.000 0.772 358 E HN 0.732 nan 8.360 nan 0.000 0.491 359 S N 1.111 116.701 115.700 -0.184 0.000 2.453 359 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 359 S C 1.615 176.179 174.600 -0.061 0.000 1.005 359 S CA 0.842 58.981 58.200 -0.102 0.000 0.949 359 S CB -0.303 62.856 63.200 -0.067 0.000 0.774 359 S HN 0.581 nan 8.310 nan 0.000 0.510 360 E N 0.433 120.605 120.200 -0.046 0.000 2.451 360 E HA 0.388 4.737 4.350 -0.001 0.000 0.194 360 E C 0.019 176.620 176.600 0.002 0.000 1.027 360 E CA -0.326 56.069 56.400 -0.009 0.000 0.914 360 E CB -0.009 29.699 29.700 0.013 0.000 1.054 360 E HN 0.590 nan 8.360 nan 0.000 0.461 361 I N 1.234 121.792 120.570 -0.019 0.000 2.533 361 I HA 0.234 4.404 4.170 -0.001 0.000 0.290 361 I C -1.227 174.884 176.117 -0.010 0.000 1.056 361 I CA -0.616 60.685 61.300 0.002 0.000 1.057 361 I CB 2.307 40.325 38.000 0.029 0.000 1.240 361 I HN -0.140 nan 8.210 nan 0.000 0.423 362 T N 4.408 118.963 114.554 0.001 0.000 2.743 362 T HA 0.190 4.540 4.350 -0.001 0.000 0.292 362 T C -0.534 174.170 174.700 0.006 0.000 0.972 362 T CA -0.348 61.750 62.100 -0.004 0.000 0.967 362 T CB 0.823 69.687 68.868 -0.007 0.000 0.926 362 T HN 0.496 nan 8.240 nan 0.000 0.459 363 D N 2.073 122.479 120.400 0.009 0.000 2.383 363 D HA 0.406 5.045 4.640 -0.001 0.000 0.252 363 D C 1.417 177.723 176.300 0.009 0.000 1.166 363 D CA 1.350 55.363 54.000 0.022 0.000 0.879 363 D CB 0.091 40.909 40.800 0.031 0.000 1.164 363 D HN 0.780 nan 8.370 nan 0.000 0.462 364 G N 3.637 112.442 108.800 0.008 0.000 2.199 364 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.254 364 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.254 364 G C 0.474 175.365 174.900 -0.013 0.000 0.982 364 G CA 0.378 45.475 45.100 -0.005 0.000 0.632 364 G HN 0.681 nan 8.290 nan 0.000 0.529 365 K N 0.953 121.346 120.400 -0.012 0.000 2.349 365 K HA 0.547 4.867 4.320 -0.001 0.000 0.289 365 K C -0.024 176.557 176.600 -0.031 0.000 1.064 365 K CA -0.363 55.911 56.287 -0.021 0.000 0.947 365 K CB -0.036 32.453 32.500 -0.018 0.000 1.007 365 K HN 0.300 nan 8.250 nan 0.000 0.478 366 I N 3.544 124.090 120.570 -0.039 0.000 2.433 366 I HA 0.289 4.458 4.170 -0.001 0.000 0.292 366 I C -0.356 175.721 176.117 -0.067 0.000 1.001 366 I CA -0.606 60.663 61.300 -0.051 0.000 1.119 366 I CB 1.882 39.858 38.000 -0.039 0.000 1.289 366 I HN 0.628 nan 8.210 nan 0.000 0.438 367 E N 4.645 124.783 120.200 -0.104 0.000 2.272 367 E HA 0.555 4.904 4.350 -0.001 0.000 0.269 367 E C -1.603 174.901 176.600 -0.160 0.000 0.877 367 E CA -0.715 55.613 56.400 -0.120 0.000 0.755 367 E CB 2.726 32.340 29.700 -0.142 0.000 1.192 367 E HN 0.310 nan 8.360 nan 0.000 0.422 368 V N 5.444 125.298 119.914 -0.100 0.000 2.328 368 V HA 0.290 4.410 4.120 -0.001 0.000 0.278 368 V C -0.380 175.671 176.094 -0.072 0.000 1.021 368 V CA -0.714 61.540 62.300 -0.078 0.000 0.838 368 V CB 0.956 32.806 31.823 0.046 0.000 0.999 368 V HN 0.548 nan 8.190 nan 0.000 0.447 369 I N 4.955 125.448 120.570 -0.128 0.000 2.307 369 I HA 0.831 5.001 4.170 -0.001 0.000 0.289 369 I C 0.719 176.888 176.117 0.086 0.000 1.021 369 I CA 0.134 61.433 61.300 -0.001 0.000 1.224 369 I CB 0.225 38.269 38.000 0.074 0.000 1.376 369 I HN 0.846 nan 8.210 nan 0.000 0.470 370 G N 8.373 117.230 108.800 0.095 0.000 2.343 370 G HA2 0.045 4.004 3.960 -0.001 0.000 0.465 370 G HA3 0.045 4.004 3.960 -0.001 0.000 0.465 370 G C -3.285 171.695 174.900 0.133 0.000 1.282 370 G CA -1.044 44.126 45.100 0.116 0.000 0.996 370 G HN 0.372 nan 8.290 nan 0.000 0.521 371 P HA 0.292 nan 4.420 nan 0.000 0.271 371 P C -0.658 176.815 177.300 0.289 0.000 1.216 371 P CA 0.056 63.262 63.100 0.176 0.000 0.771 371 P CB 1.088 32.888 31.700 0.165 0.000 0.864 372 D N 1.191 121.714 120.400 0.205 0.000 2.423 372 D HA 0.089 4.729 4.640 -0.001 0.000 0.255 372 D C 1.461 177.718 176.300 -0.070 0.000 1.174 372 D CA -0.625 53.456 54.000 0.135 0.000 1.008 372 D CB 1.115 41.899 40.800 -0.026 0.000 1.101 372 D HN 0.128 nan 8.370 nan 0.000 0.516 373 I N 0.993 121.201 120.570 -0.603 0.000 2.381 373 I HA -0.296 3.873 4.170 -0.001 0.000 0.255 373 I C 1.050 177.097 176.117 -0.117 0.000 1.140 373 I CA 1.617 62.642 61.300 -0.459 0.000 1.404 373 I CB -0.115 37.464 38.000 -0.703 0.000 1.075 373 I HN 0.337 nan 8.210 nan 0.000 0.433 374 D N -0.830 119.501 120.400 -0.115 0.000 2.358 374 D HA -0.024 4.615 4.640 -0.001 0.000 0.224 374 D C 0.866 177.185 176.300 0.031 0.000 1.123 374 D CA 0.179 54.163 54.000 -0.028 0.000 0.833 374 D CB -0.362 40.398 40.800 -0.066 0.000 0.946 374 D HN 0.491 nan 8.370 nan 0.000 0.505 375 Q N 0.513 120.351 119.800 0.062 0.000 2.084 375 Q HA 0.310 4.650 4.340 -0.001 0.000 0.230 375 Q C 0.079 176.141 176.000 0.103 0.000 0.806 375 Q CA -0.174 55.674 55.803 0.075 0.000 1.083 375 Q CB 1.324 30.105 28.738 0.071 0.000 1.208 375 Q HN 0.481 nan 8.270 nan 0.000 0.462 376 I N -3.265 117.382 120.570 0.128 0.000 2.865 376 I HA 0.709 4.879 4.170 -0.001 0.000 0.302 376 I C -2.838 173.330 176.117 0.085 0.000 1.140 376 I CA -2.822 58.551 61.300 0.123 0.000 1.021 376 I CB 1.900 40.008 38.000 0.179 0.000 1.233 376 I HN -0.230 nan 8.210 nan 0.000 0.427 377 P HA 0.146 nan 4.420 nan 0.000 0.272 377 P C -0.806 176.392 177.300 -0.170 0.000 1.223 377 P CA -0.049 63.032 63.100 -0.031 0.000 0.784 377 P CB 0.530 32.215 31.700 -0.025 0.000 0.923 378 E N 0.800 120.825 120.200 -0.291 0.000 2.414 378 E HA 0.268 4.617 4.350 -0.001 0.000 0.263 378 E C 0.950 177.298 176.600 -0.419 0.000 1.000 378 E CA 0.534 56.517 56.400 -0.696 0.000 0.914 378 E CB -0.534 28.886 29.700 -0.467 0.000 0.948 378 E HN 0.757 nan 8.360 nan 0.000 0.444 379 G N 3.049 111.584 108.800 -0.442 0.000 2.176 379 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.253 379 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.253 379 G C 0.304 175.157 174.900 -0.078 0.000 0.979 379 G CA 0.432 45.426 45.100 -0.178 0.000 0.641 379 G HN 0.917 nan 8.290 nan 0.000 0.530 380 S N -0.675 114.980 115.700 -0.075 0.000 2.652 380 S HA 0.763 5.233 4.470 -0.001 0.000 0.267 380 S C 0.153 174.798 174.600 0.074 0.000 1.201 380 S CA 0.149 58.354 58.200 0.008 0.000 0.996 380 S CB 1.762 64.971 63.200 0.015 0.000 1.054 380 S HN 0.461 nan 8.310 nan 0.000 0.561 381 K N -0.670 119.783 120.400 0.089 0.000 2.281 381 K HA 0.786 5.105 4.320 -0.001 0.000 0.242 381 K C -1.614 175.060 176.600 0.125 0.000 0.971 381 K CA -0.726 55.630 56.287 0.115 0.000 0.834 381 K CB 1.414 33.967 32.500 0.088 0.000 1.181 381 K HN 0.408 nan 8.250 nan 0.000 0.435 382 L N 2.068 123.370 121.223 0.132 0.000 2.506 382 L HA 0.468 4.808 4.340 -0.001 0.000 0.257 382 L C -2.671 174.248 176.870 0.081 0.000 0.964 382 L CA -1.855 53.056 54.840 0.117 0.000 0.836 382 L CB 2.317 44.469 42.059 0.156 0.000 1.384 382 L HN 0.489 nan 8.230 nan 0.000 0.410 383 P HA 0.416 nan 4.420 nan 0.000 0.276 383 P C -1.535 175.765 177.300 0.000 0.000 1.244 383 P CA -0.466 62.660 63.100 0.042 0.000 0.801 383 P CB 1.758 33.491 31.700 0.056 0.000 1.006 384 L N 1.092 122.290 121.223 -0.042 0.000 2.464 384 L HA 0.729 5.069 4.340 -0.001 0.000 0.266 384 L C -0.550 176.137 176.870 -0.306 0.000 0.965 384 L CA -0.237 54.516 54.840 -0.147 0.000 0.833 384 L CB 1.998 43.957 42.059 -0.167 0.000 1.296 384 L HN 0.571 nan 8.230 nan 0.000 0.405 385 G N 5.492 114.070 108.800 -0.369 0.000 2.644 385 G HA2 0.578 4.538 3.960 -0.001 0.000 0.300 385 G HA3 0.578 4.538 3.960 -0.001 0.000 0.300 385 G C -1.046 173.568 174.900 -0.477 0.000 1.395 385 G CA -0.340 44.197 45.100 -0.939 0.000 0.964 385 G HN 0.522 nan 8.290 nan 0.000 0.511 386 I N 3.130 123.382 120.570 -0.530 0.000 2.306 386 I HA 0.231 4.400 4.170 -0.001 0.000 0.288 386 I C -0.676 175.434 176.117 -0.013 0.000 1.036 386 I CA -0.643 60.528 61.300 -0.215 0.000 1.221 386 I CB 1.565 39.456 38.000 -0.181 0.000 1.385 386 I HN 0.193 nan 8.210 nan 0.000 0.472 387 L N 8.963 130.228 121.223 0.071 0.000 2.294 387 L HA 0.501 4.841 4.340 -0.001 0.000 0.283 387 L C -0.668 176.265 176.870 0.105 0.000 1.015 387 L CA -0.337 54.624 54.840 0.203 0.000 0.831 387 L CB 1.455 43.708 42.059 0.324 0.000 1.217 387 L HN 0.261 nan 8.230 nan 0.000 0.420 388 V N 4.580 124.569 119.914 0.124 0.000 2.334 388 V HA 0.406 4.526 4.120 -0.001 0.000 0.281 388 V C -0.659 175.497 176.094 0.103 0.000 1.016 388 V CA -0.725 61.633 62.300 0.097 0.000 0.832 388 V CB 1.234 33.118 31.823 0.103 0.000 0.999 388 V HN 0.612 nan 8.190 nan 0.000 0.439 389 D N 4.751 125.206 120.400 0.091 0.000 2.295 389 D HA 0.496 5.136 4.640 -0.001 0.000 0.248 389 D C -0.382 175.976 176.300 0.096 0.000 1.154 389 D CA -0.011 54.046 54.000 0.095 0.000 0.857 389 D CB 2.123 42.977 40.800 0.091 0.000 1.117 389 D HN 0.255 nan 8.370 nan 0.000 0.468 390 I N 2.744 123.372 120.570 0.096 0.000 2.441 390 I HA 0.230 4.399 4.170 -0.001 0.000 0.295 390 I C -0.685 175.512 176.117 0.133 0.000 0.994 390 I CA -0.882 60.475 61.300 0.096 0.000 1.144 390 I CB 1.273 39.306 38.000 0.056 0.000 1.314 390 I HN 0.212 nan 8.210 nan 0.000 0.445 391 Y N 5.317 125.640 120.300 0.038 0.000 2.409 391 Y HA 0.855 5.405 4.550 -0.000 0.000 0.343 391 Y C -0.272 175.651 175.900 0.040 0.000 0.973 391 Y CA -0.808 57.312 58.100 0.034 0.000 1.064 391 Y CB 1.955 40.431 38.460 0.027 0.000 1.207 391 Y HN 0.589 nan 8.280 nan 0.000 0.452 392 G N 5.303 113.415 108.800 -1.147 0.000 2.755 392 G HA2 0.224 4.184 3.960 -0.001 0.000 0.297 392 G HA3 0.224 4.184 3.960 -0.001 0.000 0.297 392 G C -0.449 173.989 174.900 -0.770 0.000 1.441 392 G CA -0.935 43.644 45.100 -0.869 0.000 0.964 392 G HN 0.737 nan 8.290 nan 0.000 0.540 393 R N 0.324 120.537 120.500 -0.478 0.000 2.113 393 R HA -0.142 4.198 4.340 -0.001 0.000 0.244 393 R C 1.494 177.728 176.300 -0.110 0.000 1.142 393 R CA 1.779 57.771 56.100 -0.181 0.000 0.953 393 R CB -0.030 30.241 30.300 -0.048 0.000 0.860 393 R HN 0.511 nan 8.270 nan 0.000 0.438 394 K N -0.493 119.862 120.400 -0.075 0.000 2.372 394 K HA 0.091 4.410 4.320 -0.001 0.000 0.200 394 K C 0.235 176.878 176.600 0.072 0.000 1.022 394 K CA -0.361 55.932 56.287 0.010 0.000 1.125 394 K CB 0.323 32.851 32.500 0.047 0.000 0.855 394 K HN -0.015 nan 8.250 nan 0.000 0.524 395 M N 2.059 121.651 119.600 -0.014 0.000 2.248 395 M HA 0.020 4.500 4.480 -0.001 0.000 0.337 395 M C -0.668 175.591 176.300 -0.068 0.000 1.121 395 M CA 0.906 56.232 55.300 0.043 0.000 1.155 395 M CB 0.436 32.999 32.600 -0.061 0.000 1.514 395 M HN 0.042 nan 8.290 nan 0.000 0.452 396 Q N 2.330 122.010 119.800 -0.199 0.000 2.495 396 Q HA 0.648 4.988 4.340 -0.001 0.000 0.287 396 Q C 0.389 176.192 176.000 -0.328 0.000 1.078 396 Q CA -0.393 55.154 55.803 -0.427 0.000 0.793 396 Q CB 1.606 29.778 28.738 -0.944 0.000 1.459 396 Q HN 0.859 nan 8.270 nan 0.000 0.422 397 A N 0.781 123.457 122.820 -0.240 0.000 1.933 397 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 397 A C 1.152 178.649 177.584 -0.145 0.000 1.175 397 A CA 1.987 53.940 52.037 -0.140 0.000 0.628 397 A CB -0.369 18.576 19.000 -0.092 0.000 0.814 397 A HN 0.788 nan 8.150 nan 0.000 0.444 398 D N -0.597 119.646 120.400 -0.262 0.000 2.263 398 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 398 D C 1.068 177.385 176.300 0.028 0.000 0.971 398 D CA 0.957 54.865 54.000 -0.154 0.000 0.867 398 D CB -0.315 40.367 40.800 -0.197 0.000 0.929 398 D HN 0.494 nan 8.370 nan 0.000 0.492 399 F N 1.345 121.250 119.950 -0.075 0.000 2.710 399 F HA 0.115 4.641 4.527 -0.001 0.000 0.298 399 F C 2.140 177.858 175.800 -0.136 0.000 1.137 399 F CA -0.366 57.561 58.000 -0.122 0.000 1.444 399 F CB -0.618 38.291 39.000 -0.152 0.000 1.111 399 F HN -0.060 nan 8.300 nan 0.000 0.580 400 E N 0.389 120.634 120.200 0.076 0.000 2.058 400 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 400 E C 2.622 179.238 176.600 0.028 0.000 0.997 400 E CA 1.194 57.617 56.400 0.037 0.000 0.801 400 E CB -0.599 29.127 29.700 0.044 0.000 0.746 400 E HN 0.414 nan 8.360 nan 0.000 0.450 401 G N 0.849 109.675 108.800 0.042 0.000 2.442 401 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.219 401 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.219 401 G C 1.725 176.623 174.900 -0.003 0.000 1.141 401 G CA 0.967 46.087 45.100 0.034 0.000 0.763 401 G HN 0.127 nan 8.290 nan 0.000 0.554 402 V N 1.208 121.104 119.914 -0.030 0.000 2.261 402 V HA -0.131 3.989 4.120 -0.001 0.000 0.246 402 V C 2.904 178.923 176.094 -0.124 0.000 1.047 402 V CA 1.597 63.850 62.300 -0.078 0.000 1.015 402 V CB -0.503 31.246 31.823 -0.124 0.000 0.642 402 V HN 0.360 nan 8.190 nan 0.000 0.446 403 L N -0.295 120.787 121.223 -0.236 0.000 2.083 403 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 403 L C 2.515 179.359 176.870 -0.044 0.000 1.083 403 L CA 1.897 56.609 54.840 -0.214 0.000 0.752 403 L CB -0.783 41.124 42.059 -0.253 0.000 0.899 403 L HN 0.437 nan 8.230 nan 0.000 0.433 404 E N 0.804 120.993 120.200 -0.018 0.000 2.077 404 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 404 E C 2.259 178.847 176.600 -0.021 0.000 0.989 404 E CA 1.094 57.507 56.400 0.022 0.000 0.800 404 E CB 0.068 29.809 29.700 0.069 0.000 0.746 404 E HN 0.151 nan 8.360 nan 0.000 0.452 405 R N 0.787 121.265 120.500 -0.036 0.000 2.139 405 R HA -0.129 4.211 4.340 -0.001 0.000 0.243 405 R C 1.808 178.027 176.300 -0.136 0.000 1.145 405 R CA 1.473 57.538 56.100 -0.058 0.000 0.976 405 R CB -0.150 30.127 30.300 -0.039 0.000 0.866 405 R HN 0.066 nan 8.270 nan 0.000 0.449 406 R N 0.142 120.502 120.500 -0.234 0.000 2.240 406 R HA 0.101 4.440 4.340 -0.001 0.000 0.203 406 R C 2.202 178.013 176.300 -0.816 0.000 1.011 406 R CA 0.782 56.510 56.100 -0.620 0.000 1.007 406 R CB -0.510 29.303 30.300 -0.811 0.000 0.911 406 R HN 0.365 nan 8.270 nan 0.000 0.468 407 I N 0.420 120.784 120.570 -0.343 0.000 2.229 407 I HA -0.397 3.773 4.170 -0.001 0.000 0.250 407 I C 2.635 178.529 176.117 -0.371 0.000 1.096 407 I CA 1.627 62.818 61.300 -0.182 0.000 1.358 407 I CB -0.506 37.435 38.000 -0.098 0.000 1.047 407 I HN 0.332 nan 8.210 nan 0.000 0.422 408 H N 1.748 120.475 119.070 -0.573 0.000 2.253 408 H HA -0.222 4.334 4.556 -0.001 0.000 0.296 408 H C 1.767 176.923 175.328 -0.287 0.000 1.074 408 H CA 2.339 58.030 56.048 -0.595 0.000 1.263 408 H CB -0.069 29.535 29.762 -0.263 0.000 1.363 408 H HN 0.461 nan 8.280 nan 0.000 0.489 409 D N 0.000 120.169 120.400 -0.386 0.000 2.224 409 D HA -0.131 4.509 4.640 -0.001 0.000 0.205 409 D C 2.191 178.369 176.300 -0.203 0.000 0.965 409 D CA 0.301 54.109 54.000 -0.319 0.000 0.852 409 D CB -0.823 39.845 40.800 -0.220 0.000 0.947 409 D HN 0.276 nan 8.370 nan 0.000 0.494 410 F N 1.576 121.382 119.950 -0.240 0.000 2.095 410 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 410 F C 2.534 178.370 175.800 0.061 0.000 1.104 410 F CA 0.075 58.005 58.000 -0.117 0.000 1.232 410 F CB -0.910 38.086 39.000 -0.008 0.000 0.987 410 F HN -0.045 nan 8.300 nan 0.000 0.475 411 I N -0.134 120.566 120.570 0.218 0.000 2.252 411 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 411 I C 1.868 178.096 176.117 0.184 0.000 1.102 411 I CA 1.042 62.491 61.300 0.248 0.000 1.385 411 I CB -0.535 37.583 38.000 0.196 0.000 1.064 411 I HN 0.080 nan 8.210 nan 0.000 0.414 412 N N 0.163 118.893 118.700 0.051 0.000 2.585 412 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 412 N C 1.418 177.038 175.510 0.184 0.000 1.102 412 N CA 1.054 54.150 53.050 0.077 0.000 0.920 412 N CB -0.130 38.318 38.487 -0.066 0.000 0.963 412 N HN 0.381 nan 8.380 nan 0.000 0.447 413 Y N 0.499 120.710 120.300 -0.150 0.000 2.475 413 Y HA 0.178 4.728 4.550 -0.001 0.000 0.289 413 Y C 1.745 177.370 175.900 -0.459 0.000 1.121 413 Y CA -0.442 57.395 58.100 -0.438 0.000 1.257 413 Y CB -0.420 37.455 38.460 -0.975 0.000 1.026 413 Y HN -0.149 nan 8.280 nan 0.000 0.555 414 G N 1.169 109.984 108.800 0.025 0.000 2.358 414 G HA2 0.111 4.071 3.960 -0.001 0.000 0.273 414 G HA3 0.111 4.071 3.960 -0.001 0.000 0.273 414 G C -0.348 174.527 174.900 -0.043 0.000 1.215 414 G CA -0.480 44.711 45.100 0.152 0.000 0.910 414 G HN 0.256 nan 8.290 nan 0.000 0.467 415 E N 1.719 121.747 120.200 -0.287 0.000 2.415 415 E HA 0.352 4.701 4.350 -0.001 0.000 0.260 415 E C 1.375 177.854 176.600 -0.202 0.000 1.016 415 E CA 0.772 56.946 56.400 -0.377 0.000 0.924 415 E CB -0.025 29.157 29.700 -0.864 0.000 0.961 415 E HN 0.906 nan 8.360 nan 0.000 0.459 416 G N 3.978 112.711 108.800 -0.111 0.000 2.175 416 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 416 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 416 G C -0.050 174.770 174.900 -0.133 0.000 0.982 416 G CA 0.119 45.151 45.100 -0.114 0.000 0.641 416 G HN 0.479 nan 8.290 nan 0.000 0.527 417 L N -0.605 120.572 121.223 -0.077 0.000 2.313 417 L HA 0.719 5.058 4.340 -0.001 0.000 0.283 417 L C -0.234 176.744 176.870 0.180 0.000 1.013 417 L CA -1.130 53.705 54.840 -0.009 0.000 0.816 417 L CB 1.421 43.461 42.059 -0.032 0.000 1.236 417 L HN 0.199 nan 8.230 nan 0.000 0.419 418 W N 4.379 125.686 121.300 0.012 0.000 2.666 418 W HA 0.482 5.141 4.660 -0.001 0.000 0.334 418 W C -0.910 175.657 176.519 0.080 0.000 1.051 418 W CA -0.309 57.043 57.345 0.012 0.000 1.224 418 W CB 1.047 30.458 29.460 -0.082 0.000 1.405 418 W HN 0.438 nan 8.180 nan 0.000 0.513 419 H N 3.884 122.485 119.070 -0.782 0.000 2.806 419 H HA 0.561 5.117 4.556 -0.001 0.000 0.367 419 H C -1.536 173.231 175.328 -0.934 0.000 1.136 419 H CA -0.107 55.499 56.048 -0.737 0.000 1.178 419 H CB 2.555 32.170 29.762 -0.245 0.000 1.718 419 H HN 0.455 nan 8.280 nan 0.000 0.540 420 T N 2.086 115.887 114.554 -1.254 0.000 2.821 420 T HA 0.596 4.946 4.350 -0.001 0.000 0.306 420 T C -0.461 173.883 174.700 -0.592 0.000 1.313 420 T CA 0.664 62.359 62.100 -0.674 0.000 1.012 420 T CB 1.201 69.740 68.868 -0.549 0.000 1.298 420 T HN 1.176 nan 8.240 nan 0.000 0.502 421 G N 1.756 110.354 108.800 -0.337 0.000 2.660 421 G HA2 0.295 4.255 3.960 -0.001 0.000 0.247 421 G HA3 0.295 4.255 3.960 -0.001 0.000 0.247 421 G C -1.386 173.433 174.900 -0.135 0.000 1.328 421 G CA 0.378 45.350 45.100 -0.212 0.000 0.884 421 G HN 1.203 nan 8.290 nan 0.000 0.531 422 Q N -1.391 118.357 119.800 -0.086 0.000 2.590 422 Q HA 0.834 5.174 4.340 -0.001 0.000 0.295 422 Q C 0.733 176.711 176.000 -0.036 0.000 0.973 422 Q CA -0.008 55.780 55.803 -0.026 0.000 0.768 422 Q CB 1.057 29.764 28.738 -0.052 0.000 1.479 422 Q HN 1.289 nan 8.270 nan 0.000 0.419 423 R N 0.616 121.097 120.500 -0.031 0.000 3.793 423 R HA -0.349 3.991 4.340 -0.001 0.000 0.464 423 R C 0.130 176.523 176.300 0.156 0.000 0.241 423 R CA 2.248 58.281 56.100 -0.111 0.000 1.464 423 R CB -1.588 28.304 30.300 -0.680 0.000 0.954 423 R HN 1.098 nan 8.270 nan 0.000 0.583 424 N N 1.883 120.676 118.700 0.154 0.000 2.320 424 N HA 0.161 4.901 4.740 -0.001 0.000 0.237 424 N C 0.291 175.863 175.510 0.104 0.000 1.129 424 N CA -0.120 53.089 53.050 0.266 0.000 0.854 424 N CB 0.287 39.006 38.487 0.386 0.000 1.083 424 N HN 0.354 nan 8.380 nan 0.000 0.504 425 I N -0.419 120.143 120.570 -0.014 0.000 2.976 425 I HA 0.313 4.483 4.170 -0.001 0.000 0.328 425 I C -0.829 175.218 176.117 -0.116 0.000 1.396 425 I CA -0.948 60.272 61.300 -0.133 0.000 0.869 425 I CB -1.248 36.557 38.000 -0.325 0.000 2.156 425 I HN 0.062 nan 8.210 nan 0.000 0.595 426 N N 0.774 119.438 118.700 -0.061 0.000 2.405 426 N HA 0.440 5.180 4.740 -0.001 0.000 0.269 426 N C -1.110 174.370 175.510 -0.051 0.000 1.249 426 N CA -0.285 52.689 53.050 -0.127 0.000 0.974 426 N CB 1.207 39.641 38.487 -0.089 0.000 1.204 426 N HN 0.456 nan 8.380 nan 0.000 0.565 427 W N -0.215 120.833 121.300 -0.419 0.000 3.615 427 W HA 0.549 5.208 4.660 -0.001 0.000 0.319 427 W C -2.482 173.829 176.519 -0.346 0.000 1.172 427 W CA -1.016 56.178 57.345 -0.251 0.000 1.240 427 W CB 0.279 29.640 29.460 -0.164 0.000 1.313 427 W HN 0.471 nan 8.180 nan 0.000 0.487 428 L N 5.388 126.747 121.223 0.226 0.000 2.393 428 L HA 0.700 5.040 4.340 -0.001 0.000 0.260 428 L C -0.116 176.965 176.870 0.352 0.000 1.002 428 L CA -0.820 54.106 54.840 0.143 0.000 0.818 428 L CB 2.393 44.536 42.059 0.140 0.000 1.369 428 L HN 0.343 nan 8.230 nan 0.000 0.412 429 R N 0.611 121.362 120.500 0.419 0.000 2.673 429 R HA 0.858 5.198 4.340 -0.001 0.000 0.281 429 R C -1.662 174.787 176.300 0.248 0.000 0.991 429 R CA -0.861 55.426 56.100 0.312 0.000 0.896 429 R CB 2.691 33.099 30.300 0.179 0.000 1.201 429 R HN 0.325 nan 8.270 nan 0.000 0.457 430 V N 1.863 121.897 119.914 0.199 0.000 2.555 430 V HA 0.334 4.453 4.120 -0.001 0.000 0.302 430 V C 0.209 176.342 176.094 0.065 0.000 1.038 430 V CA -0.740 61.596 62.300 0.060 0.000 0.887 430 V CB 1.799 33.656 31.823 0.058 0.000 0.991 430 V HN 0.954 nan 8.190 nan 0.000 0.434 431 S N 3.574 119.262 115.700 -0.019 0.000 2.617 431 S HA 0.345 4.815 4.470 -0.001 0.000 0.269 431 S C 0.844 175.477 174.600 0.055 0.000 1.292 431 S CA -0.491 57.719 58.200 0.017 0.000 1.010 431 S CB 1.068 64.252 63.200 -0.026 0.000 0.944 431 S HN 0.657 nan 8.310 nan 0.000 0.536 432 K N 0.474 120.937 120.400 0.104 0.000 2.103 432 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 432 K C 1.274 177.897 176.600 0.038 0.000 1.048 432 K CA 1.757 58.135 56.287 0.152 0.000 0.930 432 K CB -0.223 32.364 32.500 0.145 0.000 0.716 432 K HN 0.594 nan 8.250 nan 0.000 0.444 433 D N 0.455 120.857 120.400 0.002 0.000 2.097 433 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 433 D C 1.862 178.129 176.300 -0.055 0.000 0.984 433 D CA 1.260 55.244 54.000 -0.026 0.000 0.826 433 D CB -0.192 40.590 40.800 -0.030 0.000 0.973 433 D HN 0.174 nan 8.370 nan 0.000 0.460 434 A N 0.617 123.388 122.820 -0.081 0.000 1.917 434 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 434 A C 2.548 180.094 177.584 -0.064 0.000 1.182 434 A CA 1.584 53.560 52.037 -0.101 0.000 0.633 434 A CB -0.816 18.056 19.000 -0.213 0.000 0.819 434 A HN 0.166 nan 8.150 nan 0.000 0.448 435 V N -0.274 119.563 119.914 -0.128 0.000 2.295 435 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 435 V C 3.055 179.049 176.094 -0.165 0.000 1.049 435 V CA 1.912 64.072 62.300 -0.233 0.000 1.024 435 V CB -1.305 30.129 31.823 -0.650 0.000 0.648 435 V HN 0.627 nan 8.190 nan 0.000 0.447 436 A N -0.520 122.234 122.820 -0.110 0.000 1.978 436 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 436 A C 2.276 179.826 177.584 -0.057 0.000 1.170 436 A CA 2.074 54.072 52.037 -0.065 0.000 0.636 436 A CB -0.442 18.538 19.000 -0.032 0.000 0.810 436 A HN 0.541 nan 8.150 nan 0.000 0.448 437 K N -2.299 118.069 120.400 -0.053 0.000 2.366 437 K HA 0.153 4.472 4.320 -0.001 0.000 0.198 437 K C 1.133 177.707 176.600 -0.043 0.000 1.044 437 K CA 0.654 56.916 56.287 -0.042 0.000 0.973 437 K CB 0.034 32.510 32.500 -0.039 0.000 0.767 437 K HN 0.642 nan 8.250 nan 0.000 0.475 438 G N 0.490 109.259 108.800 -0.052 0.000 2.425 438 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.177 438 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.177 438 G C -0.134 174.711 174.900 -0.091 0.000 0.999 438 G CA -0.590 44.465 45.100 -0.075 0.000 0.723 438 G HN 0.222 nan 8.290 nan 0.000 0.491 439 F N 4.262 124.097 119.950 -0.190 0.000 2.623 439 F HA 0.499 5.025 4.527 -0.001 0.000 0.383 439 F C 1.011 176.640 175.800 -0.286 0.000 1.077 439 F CA 0.488 58.357 58.000 -0.218 0.000 1.268 439 F CB 0.500 39.371 39.000 -0.215 0.000 1.053 439 F HN 0.483 nan 8.300 nan 0.000 0.571 440 R N 4.043 123.830 120.500 -1.188 0.000 2.817 440 R HA 0.391 4.730 4.340 -0.001 0.000 0.268 440 R C -0.090 175.481 176.300 -1.215 0.000 1.027 440 R CA -0.892 54.556 56.100 -1.086 0.000 0.928 440 R CB 0.315 30.274 30.300 -0.567 0.000 1.228 440 R HN 0.428 nan 8.270 nan 0.000 0.469 441 F N 1.167 120.763 119.950 -0.590 0.000 2.202 441 F HA -0.098 4.429 4.527 -0.001 0.000 0.301 441 F C 2.448 178.111 175.800 -0.230 0.000 1.082 441 F CA 1.387 59.194 58.000 -0.321 0.000 1.313 441 F CB -0.589 38.408 39.000 -0.006 0.000 1.024 441 F HN 0.662 nan 8.300 nan 0.000 0.495 442 K N 0.878 121.230 120.400 -0.080 0.000 2.127 442 K HA -0.274 4.046 4.320 -0.001 0.000 0.208 442 K C 1.583 178.118 176.600 -0.107 0.000 1.047 442 K CA 2.073 58.309 56.287 -0.084 0.000 0.927 442 K CB -0.456 31.967 32.500 -0.128 0.000 0.716 442 K HN 0.403 nan 8.250 nan 0.000 0.450 443 N N -0.851 117.684 118.700 -0.275 0.000 2.289 443 N HA -0.156 4.583 4.740 -0.001 0.000 0.184 443 N C 1.403 176.939 175.510 0.043 0.000 1.016 443 N CA 0.859 53.797 53.050 -0.187 0.000 0.872 443 N CB -0.125 38.172 38.487 -0.318 0.000 0.973 443 N HN 0.174 nan 8.380 nan 0.000 0.433 444 Y N 1.090 121.467 120.300 0.129 0.000 2.128 444 Y HA -0.111 4.439 4.550 -0.001 0.000 0.284 444 Y C 2.601 178.547 175.900 0.075 0.000 1.154 444 Y CA 1.186 59.398 58.100 0.187 0.000 1.149 444 Y CB -1.022 37.556 38.460 0.198 0.000 0.976 444 Y HN 0.059 nan 8.280 nan 0.000 0.505 445 G N -0.714 108.196 108.800 0.183 0.000 2.402 445 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 445 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 445 G C 1.538 176.457 174.900 0.031 0.000 1.162 445 G CA 0.905 46.051 45.100 0.077 0.000 0.777 445 G HN 0.410 nan 8.290 nan 0.000 0.539 446 E N 0.004 120.205 120.200 0.002 0.000 2.051 446 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 446 E C 2.494 179.043 176.600 -0.085 0.000 0.991 446 E CA 0.624 56.992 56.400 -0.054 0.000 0.799 446 E CB -0.147 29.502 29.700 -0.084 0.000 0.748 446 E HN 0.463 nan 8.360 nan 0.000 0.449 447 I N 0.678 121.212 120.570 -0.060 0.000 2.127 447 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 447 I C 2.161 178.225 176.117 -0.088 0.000 1.075 447 I CA 0.695 61.930 61.300 -0.108 0.000 1.334 447 I CB -0.149 37.906 38.000 0.090 0.000 1.040 447 I HN 0.141 nan 8.210 nan 0.000 0.405 448 L N 0.092 121.331 121.223 0.027 0.000 2.017 448 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 448 L C 2.537 179.387 176.870 -0.034 0.000 1.073 448 L CA 1.639 56.502 54.840 0.038 0.000 0.745 448 L CB -1.146 40.986 42.059 0.123 0.000 0.894 448 L HN 0.062 nan 8.230 nan 0.000 0.432 449 V N -0.059 119.840 119.914 -0.025 0.000 2.231 449 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 449 V C 2.755 178.804 176.094 -0.076 0.000 1.054 449 V CA 1.890 64.172 62.300 -0.030 0.000 1.015 449 V CB -1.321 30.487 31.823 -0.024 0.000 0.638 449 V HN 0.517 nan 8.190 nan 0.000 0.444 450 A N -0.256 122.491 122.820 -0.121 0.000 1.873 450 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 450 A C 2.268 179.725 177.584 -0.212 0.000 1.193 450 A CA 2.164 54.110 52.037 -0.151 0.000 0.629 450 A CB -0.511 18.378 19.000 -0.185 0.000 0.826 450 A HN 0.459 nan 8.150 nan 0.000 0.447 451 K N -1.103 119.069 120.400 -0.381 0.000 2.155 451 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 451 K C 2.034 178.327 176.600 -0.513 0.000 1.052 451 K CA 0.947 56.802 56.287 -0.720 0.000 0.948 451 K CB -0.448 31.087 32.500 -1.608 0.000 0.728 451 K HN 0.424 nan 8.250 nan 0.000 0.448 452 M N 1.204 120.683 119.600 -0.201 0.000 2.080 452 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 452 M C 1.915 178.313 176.300 0.163 0.000 1.068 452 M CA 1.631 57.041 55.300 0.184 0.000 1.109 452 M CB -0.768 31.942 32.600 0.184 0.000 1.342 452 M HN 0.067 nan 8.290 nan 0.000 0.405 453 K N 0.121 120.544 120.400 0.038 0.000 2.097 453 K HA -0.198 4.122 4.320 -0.001 0.000 0.206 453 K C 1.901 178.506 176.600 0.008 0.000 1.049 453 K CA 1.705 58.013 56.287 0.035 0.000 0.933 453 K CB -0.140 32.362 32.500 0.003 0.000 0.717 453 K HN 0.547 nan 8.250 nan 0.000 0.442 454 E N 0.567 120.738 120.200 -0.049 0.000 2.170 454 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 454 E C 1.507 178.045 176.600 -0.103 0.000 0.981 454 E CA 0.734 57.094 56.400 -0.066 0.000 0.830 454 E CB 0.161 29.816 29.700 -0.074 0.000 0.775 454 E HN 0.085 nan 8.360 nan 0.000 0.470 455 E N 0.076 120.183 120.200 -0.155 0.000 2.216 455 E HA -0.022 4.328 4.350 -0.001 0.000 0.192 455 E C 0.023 176.238 176.600 -0.643 0.000 0.988 455 E CA 0.621 56.781 56.400 -0.399 0.000 0.834 455 E CB 0.124 29.547 29.700 -0.462 0.000 0.772 455 E HN 0.331 nan 8.360 nan 0.000 0.479 456 F N 0.878 120.844 119.950 0.028 0.000 2.627 456 F HA 0.244 4.770 4.527 -0.001 0.000 0.329 456 F C -1.556 174.231 175.800 -0.022 0.000 1.378 456 F CA -2.065 55.931 58.000 -0.006 0.000 1.134 456 F CB 1.097 40.097 39.000 0.002 0.000 1.229 456 F HN -0.085 nan 8.300 nan 0.000 0.537 457 P HA -0.184 nan 4.420 nan 0.000 0.218 457 P C 1.376 178.698 177.300 0.037 0.000 1.148 457 P CA 1.472 64.595 63.100 0.038 0.000 0.822 457 P CB 0.374 32.074 31.700 0.000 0.000 0.784 458 A N -1.570 121.270 122.820 0.033 0.000 2.178 458 A HA 0.131 4.451 4.320 -0.001 0.000 0.211 458 A C 2.113 179.705 177.584 0.013 0.000 1.157 458 A CA 0.469 52.512 52.037 0.011 0.000 0.780 458 A CB -0.950 18.044 19.000 -0.010 0.000 0.828 458 A HN 0.164 nan 8.150 nan 0.000 0.476 459 I N -1.251 119.343 120.570 0.039 0.000 4.139 459 I HA 0.102 4.271 4.170 -0.001 0.000 0.320 459 I C -0.536 175.583 176.117 0.003 0.000 1.290 459 I CA 0.451 61.764 61.300 0.023 0.000 1.253 459 I CB 1.340 39.335 38.000 -0.009 0.000 1.122 459 I HN -0.043 nan 8.210 nan 0.000 0.421 460 V N 1.985 121.924 119.914 0.042 0.000 2.334 460 V HA 0.200 4.320 4.120 -0.001 0.000 0.281 460 V C -0.092 176.015 176.094 0.022 0.000 1.016 460 V CA -0.387 61.933 62.300 0.033 0.000 0.832 460 V CB 1.180 33.065 31.823 0.104 0.000 0.999 460 V HN 0.123 nan 8.190 nan 0.000 0.439 461 D N 3.171 123.564 120.400 -0.013 0.000 2.338 461 D HA 0.156 4.795 4.640 -0.001 0.000 0.224 461 D C 0.826 177.202 176.300 0.126 0.000 0.967 461 D CA 0.785 54.818 54.000 0.055 0.000 0.896 461 D CB 0.544 41.382 40.800 0.064 0.000 1.028 461 D HN 0.399 nan 8.370 nan 0.000 0.493 462 R N 0.282 120.888 120.500 0.177 0.000 2.621 462 R HA 0.590 4.930 4.340 -0.001 0.000 0.284 462 R C -1.235 175.145 176.300 0.134 0.000 0.998 462 R CA -0.563 55.642 56.100 0.175 0.000 0.895 462 R CB 3.106 33.553 30.300 0.245 0.000 1.195 462 R HN -0.196 nan 8.270 nan 0.000 0.450 463 V N 2.087 122.054 119.914 0.088 0.000 2.680 463 V HA 0.468 4.588 4.120 -0.001 0.000 0.309 463 V C -0.566 175.560 176.094 0.053 0.000 1.052 463 V CA -0.867 61.476 62.300 0.073 0.000 0.908 463 V CB 1.977 33.835 31.823 0.058 0.000 1.001 463 V HN 0.718 nan 8.190 nan 0.000 0.431 464 Q N 2.144 121.974 119.800 0.050 0.000 2.315 464 Q HA 0.764 5.103 4.340 -0.001 0.000 0.273 464 Q C -2.213 173.798 176.000 0.019 0.000 1.053 464 Q CA -0.441 55.378 55.803 0.027 0.000 0.817 464 Q CB 2.606 31.361 28.738 0.027 0.000 1.326 464 Q HN 0.592 nan 8.270 nan 0.000 0.423 465 V N 2.372 122.280 119.914 -0.010 0.000 2.656 465 V HA 0.640 4.759 4.120 -0.001 0.000 0.307 465 V C -0.721 175.312 176.094 -0.102 0.000 1.051 465 V CA -0.560 61.723 62.300 -0.028 0.000 0.893 465 V CB 2.204 34.024 31.823 -0.005 0.000 0.999 465 V HN 0.898 nan 8.190 nan 0.000 0.426 466 T N 5.377 119.824 114.554 -0.179 0.000 2.841 466 T HA 0.604 4.954 4.350 -0.001 0.000 0.285 466 T C -0.682 173.730 174.700 -0.481 0.000 0.991 466 T CA -0.350 61.502 62.100 -0.414 0.000 0.966 466 T CB 1.353 69.839 68.868 -0.637 0.000 0.962 466 T HN 0.320 nan 8.240 nan 0.000 0.438 467 I N 3.741 124.031 120.570 -0.466 0.000 2.354 467 I HA 0.396 4.566 4.170 -0.001 0.000 0.286 467 I C -0.803 175.062 176.117 -0.420 0.000 1.007 467 I CA -0.880 60.214 61.300 -0.343 0.000 1.167 467 I CB 0.408 38.322 38.000 -0.143 0.000 1.320 467 I HN 0.570 nan 8.210 nan 0.000 0.458 468 F N 4.258 124.094 119.950 -0.191 0.000 2.410 468 F HA 0.339 4.866 4.527 -0.001 0.000 0.349 468 F C 1.462 177.176 175.800 -0.145 0.000 1.117 468 F CA -0.332 57.584 58.000 -0.140 0.000 1.104 468 F CB 1.619 40.547 39.000 -0.120 0.000 1.122 468 F HN 0.522 nan 8.300 nan 0.000 0.483 469 T N -2.583 112.028 114.554 0.095 0.000 3.016 469 T HA 0.119 4.469 4.350 -0.001 0.000 0.271 469 T C 0.026 174.785 174.700 0.099 0.000 0.968 469 T CA -0.345 61.781 62.100 0.042 0.000 0.891 469 T CB -0.415 68.452 68.868 -0.001 0.000 1.149 469 T HN 0.391 nan 8.240 nan 0.000 0.524 470 D N 1.764 122.246 120.400 0.136 0.000 2.450 470 D HA 0.152 4.792 4.640 -0.001 0.000 0.247 470 D C 1.359 177.721 176.300 0.102 0.000 1.162 470 D CA 0.083 54.156 54.000 0.123 0.000 0.879 470 D CB 1.034 41.920 40.800 0.144 0.000 1.163 470 D HN 0.136 nan 8.370 nan 0.000 0.472 471 E N 3.397 123.646 120.200 0.081 0.000 2.033 471 E HA -0.259 4.091 4.350 -0.001 0.000 0.199 471 E C 1.802 178.438 176.600 0.060 0.000 1.011 471 E CA 2.027 58.467 56.400 0.067 0.000 0.815 471 E CB -0.354 29.379 29.700 0.056 0.000 0.755 471 E HN 0.590 nan 8.360 nan 0.000 0.451 472 A N 0.709 123.563 122.820 0.057 0.000 1.883 472 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 472 A C 2.057 179.666 177.584 0.041 0.000 1.186 472 A CA 1.956 54.020 52.037 0.044 0.000 0.624 472 A CB -0.524 18.503 19.000 0.045 0.000 0.822 472 A HN 0.092 nan 8.150 nan 0.000 0.444 473 K N -0.244 120.190 120.400 0.057 0.000 2.057 473 K HA -0.056 4.263 4.320 -0.001 0.000 0.207 473 K C 2.023 178.580 176.600 -0.072 0.000 1.049 473 K CA 1.300 57.592 56.287 0.009 0.000 0.931 473 K CB -0.945 31.593 32.500 0.063 0.000 0.714 473 K HN 0.366 nan 8.250 nan 0.000 0.440 474 V N 1.887 121.809 119.914 0.013 0.000 2.295 474 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 474 V C 2.595 178.771 176.094 0.136 0.000 1.049 474 V CA 2.006 64.376 62.300 0.117 0.000 1.024 474 V CB -0.473 31.427 31.823 0.129 0.000 0.648 474 V HN 0.383 nan 8.190 nan 0.000 0.447 475 K N 0.370 120.809 120.400 0.065 0.000 2.032 475 K HA -0.285 4.034 4.320 -0.001 0.000 0.209 475 K C 2.213 178.792 176.600 -0.034 0.000 1.048 475 K CA 2.258 58.559 56.287 0.023 0.000 0.927 475 K CB -0.247 32.261 32.500 0.012 0.000 0.712 475 K HN 0.621 nan 8.250 nan 0.000 0.441 476 E N -0.552 119.621 120.200 -0.045 0.000 2.017 476 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 476 E C 1.784 178.232 176.600 -0.254 0.000 0.997 476 E CA 1.519 57.836 56.400 -0.138 0.000 0.804 476 E CB -0.250 29.379 29.700 -0.119 0.000 0.757 476 E HN 0.466 nan 8.360 nan 0.000 0.448 477 Y N -0.081 120.047 120.300 -0.286 0.000 2.509 477 Y HA -0.063 4.486 4.550 -0.001 0.000 0.293 477 Y C 2.329 177.833 175.900 -0.659 0.000 1.133 477 Y CA 0.702 58.581 58.100 -0.367 0.000 1.283 477 Y CB -0.039 38.211 38.460 -0.349 0.000 1.001 477 Y HN 0.177 nan 8.280 nan 0.000 0.555 478 M N -0.101 119.238 119.600 -0.434 0.000 2.195 478 M HA -0.254 4.226 4.480 -0.001 0.000 0.260 478 M C 1.690 177.705 176.300 -0.475 0.000 1.066 478 M CA 1.701 56.657 55.300 -0.574 0.000 1.089 478 M CB -0.373 32.145 32.600 -0.137 0.000 1.377 478 M HN 0.274 nan 8.290 nan 0.000 0.411 479 E N -0.390 119.603 120.200 -0.345 0.000 2.046 479 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 479 E C 2.191 178.590 176.600 -0.335 0.000 0.982 479 E CA 0.930 57.158 56.400 -0.286 0.000 0.800 479 E CB -0.715 28.852 29.700 -0.221 0.000 0.756 479 E HN 0.320 nan 8.360 nan 0.000 0.449 480 V N 2.014 121.701 119.914 -0.378 0.000 2.317 480 V HA -0.323 3.797 4.120 -0.001 0.000 0.251 480 V C 2.432 178.286 176.094 -0.400 0.000 1.065 480 V CA 2.094 64.195 62.300 -0.331 0.000 1.049 480 V CB -1.055 30.600 31.823 -0.280 0.000 0.651 480 V HN 0.260 nan 8.190 nan 0.000 0.450 481 A N -0.082 122.370 122.820 -0.614 0.000 1.858 481 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 481 A C 2.361 179.280 177.584 -1.108 0.000 1.190 481 A CA 1.598 53.082 52.037 -0.922 0.000 0.617 481 A CB -0.525 17.801 19.000 -1.123 0.000 0.827 481 A HN 0.403 nan 8.150 nan 0.000 0.443 482 R N -0.088 120.009 120.500 -0.672 0.000 2.119 482 R HA -0.160 4.179 4.340 -0.001 0.000 0.246 482 R C 2.005 178.180 176.300 -0.209 0.000 1.146 482 R CA 1.493 57.416 56.100 -0.295 0.000 0.962 482 R CB -0.866 29.358 30.300 -0.128 0.000 0.863 482 R HN 0.687 nan 8.270 nan 0.000 0.442 483 E N 0.602 120.661 120.200 -0.235 0.000 2.049 483 E HA -0.184 4.166 4.350 -0.001 0.000 0.198 483 E C 1.949 178.475 176.600 -0.124 0.000 1.007 483 E CA 1.157 57.466 56.400 -0.152 0.000 0.809 483 E CB 0.078 29.687 29.700 -0.152 0.000 0.749 483 E HN 0.162 nan 8.360 nan 0.000 0.450 484 K N 0.153 120.433 120.400 -0.200 0.000 2.057 484 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 484 K C 2.183 178.815 176.600 0.053 0.000 1.049 484 K CA 0.958 57.184 56.287 -0.102 0.000 0.931 484 K CB -0.588 31.829 32.500 -0.139 0.000 0.714 484 K HN 0.214 nan 8.250 nan 0.000 0.440 485 Y N 1.529 121.823 120.300 -0.011 0.000 2.114 485 Y HA -0.257 4.293 4.550 -0.001 0.000 0.282 485 Y C 2.478 178.376 175.900 -0.004 0.000 1.165 485 Y CA 1.299 59.401 58.100 0.003 0.000 1.148 485 Y CB -1.040 37.422 38.460 0.004 0.000 0.972 485 Y HN 0.049 nan 8.280 nan 0.000 0.504 486 K N 0.933 121.422 120.400 0.149 0.000 2.097 486 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 486 K C 2.016 178.645 176.600 0.048 0.000 1.049 486 K CA 1.828 58.157 56.287 0.068 0.000 0.933 486 K CB -0.327 32.187 32.500 0.023 0.000 0.717 486 K HN 0.525 nan 8.250 nan 0.000 0.442 487 E N -0.050 120.174 120.200 0.040 0.000 2.152 487 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 487 E C 1.854 178.479 176.600 0.042 0.000 0.983 487 E CA 0.705 57.120 56.400 0.026 0.000 0.818 487 E CB -0.027 29.676 29.700 0.006 0.000 0.758 487 E HN 0.262 nan 8.360 nan 0.000 0.467 488 R N 0.515 121.056 120.500 0.068 0.000 2.066 488 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 488 R C 1.976 178.316 176.300 0.067 0.000 1.131 488 R CA 1.628 57.771 56.100 0.072 0.000 0.955 488 R CB -0.121 30.237 30.300 0.097 0.000 0.851 488 R HN 0.218 nan 8.270 nan 0.000 0.432 489 D N 0.637 121.077 120.400 0.067 0.000 2.149 489 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 489 D C 1.322 177.649 176.300 0.045 0.000 0.990 489 D CA 1.190 55.222 54.000 0.054 0.000 0.839 489 D CB -0.295 40.530 40.800 0.042 0.000 0.948 489 D HN 0.156 nan 8.370 nan 0.000 0.460 490 D N 0.319 120.741 120.400 0.038 0.000 2.117 490 D HA -0.093 4.547 4.640 -0.001 0.000 0.197 490 D C 2.062 178.385 176.300 0.038 0.000 0.987 490 D CA 0.562 54.580 54.000 0.029 0.000 0.829 490 D CB -0.196 40.616 40.800 0.020 0.000 0.961 490 D HN 0.189 nan 8.370 nan 0.000 0.460 491 R N -0.212 120.316 120.500 0.047 0.000 2.127 491 R HA -0.051 4.288 4.340 -0.001 0.000 0.238 491 R C 1.917 178.268 176.300 0.084 0.000 1.134 491 R CA 0.779 56.915 56.100 0.061 0.000 0.975 491 R CB -0.062 30.276 30.300 0.062 0.000 0.865 491 R HN 0.181 nan 8.270 nan 0.000 0.447 492 M N -0.415 119.235 119.600 0.084 0.000 2.562 492 M HA -0.030 4.449 4.480 -0.001 0.000 0.257 492 M C 1.733 178.068 176.300 0.058 0.000 1.099 492 M CA 0.918 56.276 55.300 0.095 0.000 1.099 492 M CB -0.392 32.268 32.600 0.099 0.000 1.427 492 M HN 0.076 nan 8.290 nan 0.000 0.489 493 R N -0.073 120.453 120.500 0.043 0.000 2.083 493 R HA -0.126 4.213 4.340 -0.001 0.000 0.237 493 R C 2.247 178.556 176.300 0.015 0.000 1.137 493 R CA 1.678 57.792 56.100 0.025 0.000 0.951 493 R CB -0.693 29.618 30.300 0.018 0.000 0.851 493 R HN 0.475 nan 8.270 nan 0.000 0.434 494 G N 0.710 109.520 108.800 0.018 0.000 2.448 494 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.219 494 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.219 494 G C 0.456 175.348 174.900 -0.014 0.000 1.127 494 G CA 0.365 45.469 45.100 0.006 0.000 0.766 494 G HN 0.094 nan 8.290 nan 0.000 0.552 495 L N 1.756 122.964 121.223 -0.024 0.000 2.276 495 L HA 0.478 4.818 4.340 -0.001 0.000 0.286 495 L C 0.507 177.315 176.870 -0.103 0.000 1.061 495 L CA -0.605 54.180 54.840 -0.093 0.000 0.807 495 L CB 1.678 43.656 42.059 -0.136 0.000 1.177 495 L HN 0.080 nan 8.230 nan 0.000 0.429 496 T N -2.931 111.554 114.554 -0.115 0.000 2.930 496 T HA 0.303 4.653 4.350 -0.001 0.000 0.290 496 T C 0.471 175.122 174.700 -0.081 0.000 1.052 496 T CA -0.802 61.254 62.100 -0.073 0.000 1.017 496 T CB 1.879 70.732 68.868 -0.025 0.000 1.137 496 T HN 0.432 nan 8.240 nan 0.000 0.511 497 D N 0.575 120.986 120.400 0.019 0.000 2.149 497 D HA -0.067 4.573 4.640 -0.001 0.000 0.198 497 D C 1.779 178.160 176.300 0.135 0.000 0.990 497 D CA 1.355 55.446 54.000 0.152 0.000 0.839 497 D CB -0.088 40.905 40.800 0.321 0.000 0.948 497 D HN 0.689 nan 8.370 nan 0.000 0.460 498 E N -0.439 119.821 120.200 0.100 0.000 2.110 498 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 498 E C 1.939 178.546 176.600 0.012 0.000 0.988 498 E CA 1.501 57.950 56.400 0.082 0.000 0.804 498 E CB -0.533 29.204 29.700 0.061 0.000 0.745 498 E HN 0.409 nan 8.360 nan 0.000 0.458 499 T N -1.993 112.542 114.554 -0.032 0.000 3.188 499 T HA 0.245 4.594 4.350 -0.001 0.000 0.250 499 T C 0.501 175.145 174.700 -0.093 0.000 1.077 499 T CA -0.007 62.061 62.100 -0.053 0.000 0.967 499 T CB -0.558 68.279 68.868 -0.051 0.000 1.006 499 T HN 0.013 nan 8.240 nan 0.000 0.552 500 V N -0.901 118.930 119.914 -0.139 0.000 2.769 500 V HA 0.696 4.816 4.120 -0.001 0.000 0.312 500 V C -0.109 175.876 176.094 -0.182 0.000 1.061 500 V CA -0.971 61.232 62.300 -0.162 0.000 0.931 500 V CB 2.167 33.783 31.823 -0.344 0.000 1.010 500 V HN 0.190 nan 8.190 nan 0.000 0.433 501 D N 0.447 120.766 120.400 -0.135 0.000 2.369 501 D HA 0.185 4.824 4.640 -0.001 0.000 0.211 501 D C 0.514 176.619 176.300 -0.324 0.000 1.077 501 D CA 0.137 54.006 54.000 -0.218 0.000 0.842 501 D CB 0.401 41.130 40.800 -0.119 0.000 0.947 501 D HN 0.603 nan 8.370 nan 0.000 0.509 502 T N 0.422 114.844 114.554 -0.219 0.000 2.861 502 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 502 T C -0.930 173.729 174.700 -0.068 0.000 1.003 502 T CA -0.618 61.309 62.100 -0.288 0.000 0.977 502 T CB 1.299 70.022 68.868 -0.242 0.000 0.996 502 T HN -0.174 nan 8.240 nan 0.000 0.448 503 F N 1.353 121.146 119.950 -0.261 0.000 2.509 503 F HA 0.682 5.209 4.527 -0.000 0.000 0.334 503 F C -0.356 175.147 175.800 -0.495 0.000 1.060 503 F CA -1.899 56.029 58.000 -0.120 0.000 0.997 503 F CB 0.872 39.761 39.000 -0.185 0.000 1.271 503 F HN 0.472 nan 8.300 nan 0.000 0.488 504 Y N -0.612 119.782 120.300 0.157 0.000 2.425 504 Y HA 0.430 4.980 4.550 -0.000 0.000 0.344 504 Y C 0.129 176.004 175.900 -0.041 0.000 0.969 504 Y CA -1.108 56.961 58.100 -0.052 0.000 1.052 504 Y CB 1.963 40.340 38.460 -0.139 0.000 1.215 504 Y HN 0.518 nan 8.280 nan 0.000 0.451 505 S N 1.169 116.901 115.700 0.053 0.000 2.610 505 S HA 0.591 5.061 4.470 -0.001 0.000 0.273 505 S C -0.529 174.103 174.600 0.053 0.000 1.274 505 S CA -0.634 57.587 58.200 0.036 0.000 1.023 505 S CB 1.426 64.636 63.200 0.017 0.000 0.962 505 S HN 0.793 nan 8.310 nan 0.000 0.523 506 C N 2.398 121.712 119.300 0.024 0.000 2.482 506 C HA 0.731 5.191 4.460 -0.001 0.000 0.317 506 C C 0.670 175.664 174.990 0.007 0.000 1.197 506 C CA -0.114 58.922 59.018 0.031 0.000 1.432 506 C CB 0.592 28.358 27.740 0.044 0.000 2.062 506 C HN 1.140 nan 8.230 nan 0.000 0.471 507 V N 4.702 124.637 119.914 0.035 0.000 3.330 507 V HA 0.276 4.396 4.120 -0.001 0.000 0.309 507 V C 1.407 177.550 176.094 0.082 0.000 1.481 507 V CA 0.413 62.738 62.300 0.041 0.000 1.068 507 V CB -0.571 31.273 31.823 0.035 0.000 0.935 507 V HN 0.868 nan 8.190 nan 0.000 0.453 508 L N 0.155 121.429 121.223 0.085 0.000 2.089 508 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 508 L C 2.071 179.021 176.870 0.133 0.000 1.079 508 L CA 2.332 57.228 54.840 0.093 0.000 0.758 508 L CB -0.154 41.951 42.059 0.077 0.000 0.891 508 L HN 0.564 nan 8.230 nan 0.000 0.433 509 C N -0.846 118.560 119.300 0.177 0.000 2.673 509 C HA 0.028 4.488 4.460 -0.001 0.000 0.274 509 C C 2.175 177.320 174.990 0.258 0.000 1.276 509 C CA -0.390 58.765 59.018 0.228 0.000 1.701 509 C CB -0.842 27.048 27.740 0.249 0.000 1.836 509 C HN 0.511 nan 8.230 nan 0.000 0.596 510 Q N 1.386 121.305 119.800 0.198 0.000 2.500 510 Q HA -0.120 4.220 4.340 -0.001 0.000 0.213 510 Q C 2.204 178.297 176.000 0.155 0.000 0.974 510 Q CA 1.495 57.403 55.803 0.176 0.000 0.918 510 Q CB -0.003 28.804 28.738 0.114 0.000 0.980 510 Q HN 0.888 nan 8.270 nan 0.000 0.505 511 S N -0.353 115.445 115.700 0.164 0.000 2.402 511 S HA -0.134 4.336 4.470 -0.001 0.000 0.229 511 S C 1.577 176.271 174.600 0.157 0.000 1.021 511 S CA 0.553 58.832 58.200 0.133 0.000 0.974 511 S CB -0.285 62.997 63.200 0.137 0.000 0.800 511 S HN 0.430 nan 8.310 nan 0.000 0.484 512 F N 2.740 122.740 119.950 0.083 0.000 2.262 512 F HA 0.526 5.052 4.527 -0.001 0.000 0.292 512 F C 0.982 176.830 175.800 0.080 0.000 1.081 512 F CA 0.312 58.360 58.000 0.080 0.000 1.355 512 F CB -0.095 38.966 39.000 0.103 0.000 1.069 512 F HN 0.297 nan 8.300 nan 0.000 0.506 513 A N 0.312 123.361 122.820 0.382 0.000 2.522 513 A HA 0.494 4.814 4.320 -0.001 0.000 0.285 513 A C -2.108 175.599 177.584 0.205 0.000 1.198 513 A CA -1.189 51.014 52.037 0.276 0.000 0.742 513 A CB 0.328 19.549 19.000 0.369 0.000 1.176 513 A HN 0.076 nan 8.150 nan 0.000 0.444 514 P HA -0.119 nan 4.420 nan 0.000 0.219 514 P C 0.609 177.957 177.300 0.080 0.000 1.146 514 P CA 1.351 64.501 63.100 0.082 0.000 0.808 514 P CB 0.287 32.009 31.700 0.038 0.000 0.779 515 N N -2.726 116.033 118.700 0.098 0.000 2.204 515 N HA 0.016 4.756 4.740 -0.001 0.000 0.219 515 N C 0.059 175.632 175.510 0.104 0.000 1.151 515 N CA -0.061 53.032 53.050 0.071 0.000 0.867 515 N CB -0.509 38.008 38.487 0.050 0.000 1.043 515 N HN 0.303 nan 8.380 nan 0.000 0.516 516 H N 0.499 119.618 119.070 0.081 0.000 2.610 516 H HA 0.435 4.991 4.556 -0.001 0.000 0.336 516 H C -0.766 174.609 175.328 0.078 0.000 1.087 516 H CA -0.150 55.951 56.048 0.088 0.000 1.405 516 H CB 0.722 30.556 29.762 0.121 0.000 1.460 516 H HN -0.299 nan 8.280 nan 0.000 0.538 517 V N 5.337 124.759 119.914 -0.821 0.000 2.577 517 V HA 0.198 4.317 4.120 -0.001 0.000 0.303 517 V C -0.276 175.459 176.094 -0.599 0.000 1.042 517 V CA -0.970 60.982 62.300 -0.580 0.000 0.872 517 V CB 1.419 33.131 31.823 -0.185 0.000 0.998 517 V HN 0.922 nan 8.190 nan 0.000 0.423 518 C N 5.843 124.935 119.300 -0.347 0.000 2.463 518 C HA 0.538 4.998 4.460 -0.001 0.000 0.380 518 C C 0.139 175.105 174.990 -0.041 0.000 1.264 518 C CA -0.559 58.418 59.018 -0.068 0.000 2.161 518 C CB 0.162 27.939 27.740 0.063 0.000 2.515 518 C HN 0.578 nan 8.230 nan 0.000 0.565 519 I N 4.469 125.020 120.570 -0.033 0.000 2.328 519 I HA 0.275 4.445 4.170 -0.001 0.000 0.287 519 I C 0.015 176.086 176.117 -0.077 0.000 1.012 519 I CA -0.199 61.074 61.300 -0.044 0.000 1.195 519 I CB 0.863 38.825 38.000 -0.063 0.000 1.350 519 I HN 0.295 nan 8.210 nan 0.000 0.464 520 V N 6.343 126.255 119.914 -0.003 0.000 2.407 520 V HA 0.515 4.635 4.120 -0.001 0.000 0.278 520 V C 0.630 176.767 176.094 0.071 0.000 1.037 520 V CA -0.329 61.996 62.300 0.042 0.000 0.900 520 V CB 1.550 33.449 31.823 0.126 0.000 0.983 520 V HN 0.902 nan 8.190 nan 0.000 0.459 521 T N 2.535 117.050 114.554 -0.066 0.000 2.930 521 T HA 0.507 4.857 4.350 -0.001 0.000 0.290 521 T C -2.197 172.513 174.700 0.016 0.000 1.052 521 T CA -2.242 59.761 62.100 -0.162 0.000 1.017 521 T CB 2.314 70.716 68.868 -0.778 0.000 1.137 521 T HN 0.321 nan 8.240 nan 0.000 0.511 522 P HA -0.062 nan 4.420 nan 0.000 0.220 522 P C 0.716 178.025 177.300 0.015 0.000 1.144 522 P CA 1.193 64.215 63.100 -0.130 0.000 0.800 522 P CB 0.082 31.549 31.700 -0.389 0.000 0.772 523 E N -2.027 118.194 120.200 0.036 0.000 2.526 523 E HA 0.126 4.476 4.350 -0.001 0.000 0.208 523 E C 0.732 177.459 176.600 0.212 0.000 0.997 523 E CA -0.173 56.306 56.400 0.131 0.000 0.961 523 E CB 0.469 30.255 29.700 0.142 0.000 1.030 523 E HN 0.082 nan 8.360 nan 0.000 0.483 524 R N 1.795 122.341 120.500 0.078 0.000 2.467 524 R HA 0.234 4.573 4.340 -0.001 0.000 0.299 524 R C -0.827 175.450 176.300 -0.039 0.000 1.120 524 R CA -0.329 55.730 56.100 -0.068 0.000 0.940 524 R CB 1.426 31.563 30.300 -0.273 0.000 1.161 524 R HN -0.073 nan 8.270 nan 0.000 0.506 525 V N 3.670 123.603 119.914 0.031 0.000 3.096 525 V HA 0.389 4.508 4.120 -0.001 0.000 0.306 525 V C 0.789 176.893 176.094 0.017 0.000 1.088 525 V CA 0.582 62.916 62.300 0.057 0.000 1.129 525 V CB 1.033 32.913 31.823 0.096 0.000 1.014 525 V HN 0.896 nan 8.190 nan 0.000 0.486 526 G N 4.015 112.840 108.800 0.042 0.000 2.559 526 G HA2 0.144 4.104 3.960 -0.001 0.000 0.235 526 G HA3 0.144 4.104 3.960 -0.001 0.000 0.235 526 G C 0.833 175.773 174.900 0.067 0.000 1.266 526 G CA 0.104 45.235 45.100 0.051 0.000 0.847 526 G HN 1.283 nan 8.290 nan 0.000 0.583 527 L N 0.998 122.279 121.223 0.096 0.000 2.362 527 L HA -0.054 4.286 4.340 -0.001 0.000 0.219 527 L C 2.240 179.191 176.870 0.135 0.000 1.134 527 L CA 1.998 56.917 54.840 0.133 0.000 0.807 527 L CB -1.394 40.760 42.059 0.158 0.000 0.927 527 L HN 0.627 nan 8.230 nan 0.000 0.447 528 C N -0.657 118.687 119.300 0.074 0.000 2.522 528 C HA 0.432 4.892 4.460 -0.001 0.000 0.271 528 C C 1.990 176.982 174.990 0.003 0.000 1.425 528 C CA -0.050 58.970 59.018 0.003 0.000 1.751 528 C CB -1.510 26.197 27.740 -0.056 0.000 1.775 528 C HN 0.819 nan 8.230 nan 0.000 0.557 529 G N 0.318 109.145 108.800 0.046 0.000 2.166 529 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.260 529 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.260 529 G C 0.725 175.639 174.900 0.022 0.000 0.986 529 G CA 0.449 45.579 45.100 0.051 0.000 0.683 529 G HN 1.662 nan 8.290 nan 0.000 0.527 530 A N -1.193 121.630 122.820 0.005 0.000 2.551 530 A HA 0.680 5.000 4.320 -0.001 0.000 0.252 530 A C 0.428 178.013 177.584 0.002 0.000 1.199 530 A CA 0.897 52.927 52.037 -0.011 0.000 0.972 530 A CB 1.013 19.991 19.000 -0.037 0.000 1.153 530 A HN 1.000 nan 8.150 nan 0.000 0.559 531 V N 2.520 122.445 119.914 0.017 0.000 2.325 531 V HA 0.377 4.497 4.120 -0.001 0.000 0.280 531 V C 0.373 176.491 176.094 0.041 0.000 1.016 531 V CA -0.258 62.053 62.300 0.018 0.000 0.818 531 V CB 0.802 32.635 31.823 0.016 0.000 1.019 531 V HN 0.512 nan 8.190 nan 0.000 0.434 532 S N 2.901 118.631 115.700 0.051 0.000 2.645 532 S HA 0.267 4.736 4.470 -0.001 0.000 0.266 532 S C 0.654 175.332 174.600 0.130 0.000 1.258 532 S CA -0.379 57.884 58.200 0.106 0.000 0.990 532 S CB 1.046 64.316 63.200 0.116 0.000 0.967 532 S HN 0.737 nan 8.310 nan 0.000 0.556 533 W N 1.076 122.387 121.300 0.019 0.000 2.342 533 W HA -0.091 4.568 4.660 -0.001 0.000 0.297 533 W C 1.700 178.194 176.519 -0.041 0.000 1.213 533 W CA 1.318 58.683 57.345 0.033 0.000 1.251 533 W CB -0.497 29.024 29.460 0.101 0.000 1.136 533 W HN 0.686 nan 8.180 nan 0.000 0.526 534 L N 0.148 121.455 121.223 0.139 0.000 2.046 534 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 534 L C 2.269 179.043 176.870 -0.159 0.000 1.077 534 L CA 1.663 56.478 54.840 -0.042 0.000 0.747 534 L CB -0.837 41.289 42.059 0.111 0.000 0.896 534 L HN -0.108 nan 8.230 nan 0.000 0.432 535 D N 0.045 120.393 120.400 -0.087 0.000 2.117 535 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 535 D C 2.193 178.374 176.300 -0.198 0.000 0.987 535 D CA 1.537 55.482 54.000 -0.092 0.000 0.829 535 D CB -0.026 40.752 40.800 -0.038 0.000 0.961 535 D HN 0.344 nan 8.370 nan 0.000 0.460 536 A N 1.004 123.631 122.820 -0.321 0.000 1.873 536 A HA -0.198 4.122 4.320 -0.001 0.000 0.215 536 A C 2.104 179.228 177.584 -0.767 0.000 1.186 536 A CA 1.866 53.634 52.037 -0.447 0.000 0.616 536 A CB -0.481 18.264 19.000 -0.424 0.000 0.823 536 A HN 0.186 nan 8.150 nan 0.000 0.442 537 K N -0.196 119.476 120.400 -1.213 0.000 2.032 537 K HA -0.123 4.197 4.320 -0.001 0.000 0.209 537 K C 2.117 178.512 176.600 -0.342 0.000 1.048 537 K CA 1.454 57.108 56.287 -1.054 0.000 0.927 537 K CB -0.376 31.522 32.500 -1.004 0.000 0.712 537 K HN 0.345 nan 8.250 nan 0.000 0.441 538 A N 0.407 123.090 122.820 -0.229 0.000 1.902 538 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 538 A C 2.219 179.740 177.584 -0.105 0.000 1.181 538 A CA 2.168 54.187 52.037 -0.030 0.000 0.623 538 A CB -1.039 18.021 19.000 0.100 0.000 0.818 538 A HN 0.481 nan 8.150 nan 0.000 0.443 539 S N -1.756 113.875 115.700 -0.115 0.000 2.353 539 S HA -0.238 4.232 4.470 -0.001 0.000 0.222 539 S C 1.934 176.527 174.600 -0.012 0.000 1.035 539 S CA 1.826 59.988 58.200 -0.062 0.000 1.025 539 S CB -0.635 62.550 63.200 -0.026 0.000 0.902 539 S HN 0.670 nan 8.310 nan 0.000 0.440 540 Y N 2.119 122.355 120.300 -0.107 0.000 2.114 540 Y HA -0.180 4.370 4.550 -0.000 0.000 0.282 540 Y C 2.158 178.111 175.900 0.088 0.000 1.165 540 Y CA 2.425 60.517 58.100 -0.014 0.000 1.148 540 Y CB -0.779 37.677 38.460 -0.007 0.000 0.972 540 Y HN 0.446 nan 8.280 nan 0.000 0.504 541 E N 0.053 120.192 120.200 -0.101 0.000 2.058 541 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 541 E C 2.277 178.770 176.600 -0.180 0.000 0.997 541 E CA 1.730 58.064 56.400 -0.111 0.000 0.801 541 E CB -0.343 29.368 29.700 0.018 0.000 0.746 541 E HN 0.545 nan 8.360 nan 0.000 0.450 542 I N 0.722 121.146 120.570 -0.244 0.000 2.248 542 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 542 I C 0.864 176.881 176.117 -0.166 0.000 1.107 542 I CA 0.807 61.931 61.300 -0.293 0.000 1.373 542 I CB -0.042 37.746 38.000 -0.354 0.000 1.055 542 I HN 0.078 nan 8.210 nan 0.000 0.418 543 N N -0.888 117.738 118.700 -0.122 0.000 2.793 543 N HA 0.101 4.841 4.740 -0.001 0.000 0.251 543 N C 0.309 175.805 175.510 -0.022 0.000 1.308 543 N CA -0.322 52.683 53.050 -0.074 0.000 0.781 543 N CB 0.255 38.724 38.487 -0.030 0.000 1.439 543 N HN 0.116 nan 8.380 nan 0.000 0.562 544 H N 1.449 120.362 119.070 -0.263 0.000 2.460 544 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 544 H C 1.091 176.445 175.328 0.045 0.000 1.103 544 H CA 1.381 57.278 56.048 -0.251 0.000 1.292 544 H CB 0.615 30.254 29.762 -0.204 0.000 1.376 544 H HN 0.591 nan 8.280 nan 0.000 0.531 545 A N 1.070 123.973 122.820 0.138 0.000 2.275 545 A HA 0.217 4.536 4.320 -0.001 0.000 0.212 545 A C 1.518 179.157 177.584 0.092 0.000 1.201 545 A CA 0.369 52.472 52.037 0.111 0.000 0.843 545 A CB -0.086 18.955 19.000 0.067 0.000 0.873 545 A HN 0.330 nan 8.150 nan 0.000 0.492 546 G N 0.045 108.902 108.800 0.096 0.000 2.553 546 G HA2 0.374 4.334 3.960 -0.001 0.000 0.278 546 G HA3 0.374 4.334 3.960 -0.001 0.000 0.278 546 G C -0.883 174.075 174.900 0.097 0.000 1.349 546 G CA -0.421 44.723 45.100 0.074 0.000 1.037 546 G HN 0.114 nan 8.290 nan 0.000 0.508 547 P HA -0.055 nan 4.420 nan 0.000 0.225 547 P C -0.071 177.280 177.300 0.085 0.000 1.148 547 P CA 0.719 63.863 63.100 0.073 0.000 0.779 547 P CB 0.098 31.834 31.700 0.059 0.000 0.780 548 N N 0.154 118.924 118.700 0.115 0.000 2.372 548 N HA 0.285 5.025 4.740 -0.001 0.000 0.291 548 N C -0.305 175.300 175.510 0.158 0.000 1.024 548 N CA -0.575 52.548 53.050 0.122 0.000 0.873 548 N CB 0.967 39.499 38.487 0.075 0.000 1.206 548 N HN -0.137 nan 8.380 nan 0.000 0.486 549 Q N 1.360 121.191 119.800 0.052 0.000 2.394 549 Q HA 0.522 4.862 4.340 -0.001 0.000 0.273 549 Q C -2.691 173.113 176.000 -0.327 0.000 1.089 549 Q CA -2.043 53.656 55.803 -0.174 0.000 0.812 549 Q CB 2.120 30.803 28.738 -0.091 0.000 1.353 549 Q HN 0.408 nan 8.270 nan 0.000 0.438 550 P HA 0.395 nan 4.420 nan 0.000 0.285 550 P C -0.562 176.254 177.300 -0.806 0.000 1.259 550 P CA -0.227 62.343 63.100 -0.882 0.000 0.794 550 P CB 0.706 31.907 31.700 -0.831 0.000 0.940 551 I N 4.855 124.954 120.570 -0.785 0.000 2.411 551 I HA 0.305 4.474 4.170 -0.001 0.000 0.284 551 I C -2.364 173.398 176.117 -0.592 0.000 1.012 551 I CA -2.888 57.913 61.300 -0.831 0.000 1.119 551 I CB 1.936 39.594 38.000 -0.570 0.000 1.261 551 I HN 0.056 nan 8.210 nan 0.000 0.448 552 P HA 0.041 nan 4.420 nan 0.000 0.268 552 P C -0.744 176.315 177.300 -0.401 0.000 1.204 552 P CA -0.280 62.599 63.100 -0.368 0.000 0.768 552 P CB 0.422 31.996 31.700 -0.210 0.000 0.842 553 K N 3.263 123.327 120.400 -0.561 0.000 2.382 553 K HA 0.144 4.464 4.320 -0.001 0.000 0.286 553 K C 0.093 176.558 176.600 -0.224 0.000 1.062 553 K CA 0.620 56.515 56.287 -0.653 0.000 1.000 553 K CB 0.073 32.058 32.500 -0.859 0.000 0.954 553 K HN 0.475 nan 8.250 nan 0.000 0.470 554 E N 0.109 120.301 120.200 -0.013 0.000 2.375 554 E HA 0.293 4.642 4.350 -0.001 0.000 0.280 554 E C -0.776 175.945 176.600 0.202 0.000 0.972 554 E CA -0.062 56.393 56.400 0.091 0.000 0.782 554 E CB 1.663 31.384 29.700 0.036 0.000 1.229 554 E HN 0.561 nan 8.360 nan 0.000 0.439 555 G N 2.876 111.766 108.800 0.150 0.000 2.350 555 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.298 555 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.298 555 G C -0.047 174.925 174.900 0.120 0.000 1.037 555 G CA 0.823 45.991 45.100 0.114 0.000 1.074 555 G HN 0.516 nan 8.290 nan 0.000 0.511 556 E N -0.579 119.692 120.200 0.118 0.000 2.498 556 E HA 0.213 4.563 4.350 -0.001 0.000 0.252 556 E C 1.418 177.908 176.600 -0.184 0.000 1.025 556 E CA -0.269 56.044 56.400 -0.144 0.000 0.938 556 E CB 0.096 29.719 29.700 -0.129 0.000 0.947 556 E HN 0.487 nan 8.360 nan 0.000 0.478 557 I N 2.981 123.400 120.570 -0.251 0.000 2.628 557 I HA 0.014 4.184 4.170 -0.001 0.000 0.255 557 I C 0.682 176.684 176.117 -0.192 0.000 1.119 557 I CA 0.353 61.554 61.300 -0.165 0.000 1.448 557 I CB 0.360 38.295 38.000 -0.108 0.000 1.133 557 I HN 0.427 nan 8.210 nan 0.000 0.438 558 D N 0.045 120.267 120.400 -0.297 0.000 2.478 558 D HA 0.180 4.819 4.640 -0.001 0.000 0.240 558 D C -2.217 173.900 176.300 -0.306 0.000 1.364 558 D CA -1.667 52.195 54.000 -0.229 0.000 0.987 558 D CB 2.035 42.742 40.800 -0.156 0.000 1.328 558 D HN -0.177 nan 8.370 nan 0.000 0.584 559 P HA 0.100 nan 4.420 nan 0.000 0.222 559 P C 1.621 178.919 177.300 -0.003 0.000 1.153 559 P CA 0.461 63.473 63.100 -0.147 0.000 0.798 559 P CB 0.782 32.447 31.700 -0.059 0.000 0.796 560 I N -0.405 120.161 120.570 -0.006 0.000 2.296 560 I HA -0.121 4.049 4.170 -0.001 0.000 0.242 560 I C 2.135 178.342 176.117 0.150 0.000 1.087 560 I CA 1.298 62.629 61.300 0.051 0.000 1.393 560 I CB -0.339 37.665 38.000 0.006 0.000 1.093 560 I HN -0.174 nan 8.210 nan 0.000 0.421 561 K N 0.797 121.234 120.400 0.063 0.000 2.288 561 K HA 0.068 4.388 4.320 -0.001 0.000 0.201 561 K C 0.815 177.420 176.600 0.007 0.000 1.048 561 K CA 0.789 57.114 56.287 0.063 0.000 0.956 561 K CB -0.043 32.450 32.500 -0.012 0.000 0.746 561 K HN 0.466 nan 8.250 nan 0.000 0.461 562 G N 2.063 110.790 108.800 -0.122 0.000 2.452 562 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.275 562 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.275 562 G C -0.365 174.322 174.900 -0.355 0.000 1.131 562 G CA -0.445 44.378 45.100 -0.462 0.000 1.031 562 G HN 0.197 nan 8.290 nan 0.000 0.511 563 I N 0.374 120.649 120.570 -0.492 0.000 2.410 563 I HA 0.473 4.642 4.170 -0.001 0.000 0.286 563 I C 0.070 175.999 176.117 -0.312 0.000 1.009 563 I CA -0.873 60.300 61.300 -0.212 0.000 1.111 563 I CB 1.184 39.102 38.000 -0.136 0.000 1.262 563 I HN 0.156 nan 8.210 nan 0.000 0.443 564 W N 5.381 126.701 121.300 0.034 0.000 2.632 564 W HA 0.338 4.997 4.660 -0.000 0.000 0.328 564 W C 1.035 177.575 176.519 0.035 0.000 1.044 564 W CA -0.860 56.507 57.345 0.036 0.000 1.225 564 W CB 2.184 31.673 29.460 0.047 0.000 1.396 564 W HN 0.617 nan 8.180 nan 0.000 0.499 565 K N 0.880 121.407 120.400 0.212 0.000 2.103 565 K HA -0.199 4.121 4.320 -0.001 0.000 0.207 565 K C 1.901 178.598 176.600 0.162 0.000 1.048 565 K CA 2.235 58.601 56.287 0.133 0.000 0.930 565 K CB -0.018 32.529 32.500 0.078 0.000 0.716 565 K HN 0.469 nan 8.250 nan 0.000 0.444 566 S N 0.028 115.850 115.700 0.204 0.000 2.355 566 S HA -0.107 4.363 4.470 -0.001 0.000 0.222 566 S C 2.114 176.884 174.600 0.283 0.000 1.031 566 S CA 1.306 59.639 58.200 0.222 0.000 0.993 566 S CB -0.690 62.604 63.200 0.158 0.000 0.859 566 S HN 0.103 nan 8.310 nan 0.000 0.453 567 V N 3.440 123.502 119.914 0.248 0.000 2.287 567 V HA -0.222 3.898 4.120 -0.001 0.000 0.248 567 V C 2.623 178.855 176.094 0.230 0.000 1.053 567 V CA 2.219 64.661 62.300 0.236 0.000 1.027 567 V CB -1.225 30.769 31.823 0.285 0.000 0.646 567 V HN 0.470 nan 8.190 nan 0.000 0.447 568 N N 0.421 119.242 118.700 0.202 0.000 2.043 568 N HA -0.177 4.563 4.740 -0.001 0.000 0.193 568 N C 1.536 177.132 175.510 0.143 0.000 1.037 568 N CA 1.821 54.959 53.050 0.146 0.000 0.851 568 N CB -0.649 37.895 38.487 0.095 0.000 1.027 568 N HN 0.487 nan 8.380 nan 0.000 0.422 569 D N -0.114 120.358 120.400 0.120 0.000 2.106 569 D HA -0.163 4.477 4.640 -0.001 0.000 0.191 569 D C 1.984 178.314 176.300 0.050 0.000 0.997 569 D CA 1.199 55.229 54.000 0.049 0.000 0.834 569 D CB -0.637 40.139 40.800 -0.039 0.000 0.956 569 D HN 0.371 nan 8.370 nan 0.000 0.448 570 Y N 0.333 120.674 120.300 0.068 0.000 2.224 570 Y HA -0.088 4.462 4.550 -0.001 0.000 0.289 570 Y C 2.266 178.199 175.900 0.055 0.000 1.146 570 Y CA 0.368 58.495 58.100 0.045 0.000 1.182 570 Y CB -0.499 37.963 38.460 0.004 0.000 0.983 570 Y HN -0.048 nan 8.280 nan 0.000 0.524 571 L N -0.958 120.394 121.223 0.214 0.000 2.012 571 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 571 L C 2.258 179.209 176.870 0.135 0.000 1.073 571 L CA 1.740 56.666 54.840 0.143 0.000 0.748 571 L CB -0.998 41.140 42.059 0.132 0.000 0.891 571 L HN 0.292 nan 8.230 nan 0.000 0.431 572 Y N 0.151 120.467 120.300 0.027 0.000 2.097 572 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 572 Y C 2.490 178.387 175.900 -0.004 0.000 1.152 572 Y CA 2.533 60.637 58.100 0.006 0.000 1.136 572 Y CB -0.875 37.581 38.460 -0.007 0.000 0.975 572 Y HN 0.228 nan 8.280 nan 0.000 0.498 573 T N 0.640 115.196 114.554 0.003 0.000 2.652 573 T HA -0.232 4.118 4.350 -0.001 0.000 0.267 573 T C 2.090 176.744 174.700 -0.077 0.000 1.039 573 T CA 1.824 63.871 62.100 -0.087 0.000 1.153 573 T CB -0.928 67.908 68.868 -0.053 0.000 0.863 573 T HN 0.492 nan 8.240 nan 0.000 0.428 574 A N 1.626 124.441 122.820 -0.008 0.000 1.972 574 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 574 A C 2.251 179.816 177.584 -0.031 0.000 1.169 574 A CA 1.799 53.837 52.037 0.001 0.000 0.635 574 A CB -0.579 18.444 19.000 0.038 0.000 0.810 574 A HN 0.577 nan 8.150 nan 0.000 0.446 575 S N -0.179 115.489 115.700 -0.053 0.000 2.679 575 S HA 0.111 4.581 4.470 -0.001 0.000 0.233 575 S C 0.138 174.673 174.600 -0.108 0.000 0.951 575 S CA 0.029 58.196 58.200 -0.056 0.000 0.973 575 S CB -0.735 62.449 63.200 -0.027 0.000 0.778 575 S HN 0.522 nan 8.310 nan 0.000 0.477 576 N N 2.721 121.335 118.700 -0.142 0.000 2.714 576 N HA -0.200 4.540 4.740 -0.001 0.000 0.253 576 N C -0.291 175.051 175.510 -0.281 0.000 1.024 576 N CA 1.055 54.002 53.050 -0.171 0.000 0.726 576 N CB -1.563 36.869 38.487 -0.091 0.000 0.908 576 N HN 0.764 nan 8.380 nan 0.000 0.542 577 R N -2.105 118.050 120.500 -0.575 0.000 3.641 577 R HA -0.224 4.116 4.340 -0.001 0.000 0.286 577 R C 0.623 176.687 176.300 -0.393 0.000 1.153 577 R CA 1.063 56.550 56.100 -1.022 0.000 0.775 577 R CB -1.739 28.179 30.300 -0.638 0.000 1.215 577 R HN 0.524 nan 8.270 nan 0.000 0.474 578 N N -0.529 118.052 118.700 -0.199 0.000 2.463 578 N HA 0.068 4.808 4.740 -0.001 0.000 0.183 578 N C -0.247 175.302 175.510 0.065 0.000 1.064 578 N CA 0.400 53.435 53.050 -0.024 0.000 0.879 578 N CB 0.404 38.881 38.487 -0.017 0.000 1.148 578 N HN -0.080 nan 8.380 nan 0.000 0.451 579 L N 1.391 122.667 121.223 0.088 0.000 2.325 579 L HA 0.308 4.647 4.340 -0.001 0.000 0.278 579 L C 1.102 178.112 176.870 0.233 0.000 1.023 579 L CA 0.187 55.104 54.840 0.128 0.000 0.811 579 L CB 1.695 43.810 42.059 0.093 0.000 1.249 579 L HN 0.019 nan 8.230 nan 0.000 0.431 580 E N 0.902 121.208 120.200 0.175 0.000 2.399 580 E HA 0.125 4.475 4.350 -0.001 0.000 0.205 580 E C -0.090 176.557 176.600 0.079 0.000 0.906 580 E CA 0.116 56.599 56.400 0.137 0.000 0.998 580 E CB 1.421 31.154 29.700 0.055 0.000 1.002 580 E HN 0.556 nan 8.360 nan 0.000 0.501 581 Q N 0.775 120.620 119.800 0.074 0.000 2.377 581 Q HA 0.478 4.817 4.340 -0.001 0.000 0.279 581 Q C -2.075 173.962 176.000 0.062 0.000 1.049 581 Q CA -0.521 55.318 55.803 0.060 0.000 0.825 581 Q CB 3.017 31.774 28.738 0.032 0.000 1.401 581 Q HN -0.016 nan 8.270 nan 0.000 0.404 582 V N 2.614 122.568 119.914 0.066 0.000 2.789 582 V HA 0.630 4.749 4.120 -0.001 0.000 0.311 582 V C -1.416 174.699 176.094 0.035 0.000 1.073 582 V CA -0.472 61.859 62.300 0.051 0.000 0.921 582 V CB 1.935 33.790 31.823 0.054 0.000 1.009 582 V HN 1.016 nan 8.190 nan 0.000 0.426 583 C N 6.725 126.032 119.300 0.011 0.000 2.281 583 C HA 0.388 4.848 4.460 -0.001 0.000 0.325 583 C C 1.542 176.494 174.990 -0.063 0.000 1.282 583 C CA -0.754 58.249 59.018 -0.025 0.000 1.640 583 C CB 0.674 28.407 27.740 -0.011 0.000 2.288 583 C HN 0.888 nan 8.230 nan 0.000 0.507 584 L N 2.126 123.235 121.223 -0.190 0.000 2.275 584 L HA -0.058 4.282 4.340 -0.001 0.000 0.215 584 L C 0.775 177.524 176.870 -0.202 0.000 1.119 584 L CA 2.001 56.644 54.840 -0.329 0.000 0.790 584 L CB -0.311 41.359 42.059 -0.648 0.000 0.919 584 L HN 0.787 nan 8.230 nan 0.000 0.443 585 Y N -2.041 118.319 120.300 0.100 0.000 2.641 585 Y HA 0.256 4.806 4.550 -0.001 0.000 0.248 585 Y C 0.835 176.752 175.900 0.028 0.000 1.170 585 Y CA -0.837 57.316 58.100 0.088 0.000 1.201 585 Y CB 0.212 38.718 38.460 0.076 0.000 1.232 585 Y HN -0.138 nan 8.280 nan 0.000 0.537 586 T N -0.443 114.188 114.554 0.128 0.000 2.906 586 T HA 0.408 4.757 4.350 -0.001 0.000 0.295 586 T C 0.088 174.812 174.700 0.041 0.000 1.075 586 T CA -0.482 61.654 62.100 0.060 0.000 1.005 586 T CB 1.483 70.378 68.868 0.044 0.000 1.136 586 T HN 0.089 nan 8.240 nan 0.000 0.498 587 L N 3.211 124.439 121.223 0.008 0.000 2.477 587 L HA 0.370 4.709 4.340 -0.001 0.000 0.220 587 L C 1.577 178.465 176.870 0.030 0.000 1.106 587 L CA 0.860 55.703 54.840 0.006 0.000 0.851 587 L CB -0.112 41.919 42.059 -0.046 0.000 0.994 587 L HN 0.591 nan 8.230 nan 0.000 0.462 588 M N -0.590 119.035 119.600 0.041 0.000 2.502 588 M HA 0.264 4.744 4.480 -0.001 0.000 0.243 588 M C 0.179 176.539 176.300 0.100 0.000 1.130 588 M CA 0.394 55.754 55.300 0.101 0.000 1.055 588 M CB -0.631 32.018 32.600 0.082 0.000 1.457 588 M HN 0.257 nan 8.290 nan 0.000 0.488 589 E N 0.833 121.065 120.200 0.053 0.000 2.321 589 E HA 0.176 4.526 4.350 -0.001 0.000 0.281 589 E C -0.803 175.812 176.600 0.025 0.000 0.910 589 E CA -0.344 56.069 56.400 0.022 0.000 0.770 589 E CB 0.998 30.700 29.700 0.004 0.000 1.225 589 E HN 0.136 nan 8.360 nan 0.000 0.417 590 N N 3.261 121.975 118.700 0.023 0.000 2.700 590 N HA -0.135 4.604 4.740 -0.001 0.000 0.265 590 N C -2.381 173.154 175.510 0.042 0.000 0.975 590 N CA 0.906 53.976 53.050 0.033 0.000 0.800 590 N CB -0.924 37.579 38.487 0.026 0.000 0.908 590 N HN 0.461 nan 8.380 nan 0.000 0.551 591 P HA 0.016 nan 4.420 nan 0.000 0.273 591 P C 0.605 177.939 177.300 0.058 0.000 1.250 591 P CA -0.399 62.734 63.100 0.055 0.000 0.793 591 P CB 0.809 32.549 31.700 0.066 0.000 1.011 592 M N 0.942 120.574 119.600 0.054 0.000 2.240 592 M HA 0.131 4.611 4.480 -0.001 0.000 0.333 592 M C 0.624 176.980 176.300 0.094 0.000 1.110 592 M CA 0.184 55.526 55.300 0.071 0.000 1.173 592 M CB 0.549 33.183 32.600 0.055 0.000 1.458 592 M HN 0.421 nan 8.290 nan 0.000 0.458 593 T N 0.893 115.542 114.554 0.158 0.000 2.788 593 T HA 0.513 4.863 4.350 -0.001 0.000 0.280 593 T C -0.187 174.574 174.700 0.102 0.000 0.984 593 T CA -0.986 61.217 62.100 0.172 0.000 0.972 593 T CB 1.036 70.071 68.868 0.277 0.000 1.039 593 T HN 0.652 nan 8.240 nan 0.000 0.530 594 S N -0.544 115.080 115.700 -0.127 0.000 2.568 594 S HA 0.577 5.047 4.470 -0.001 0.000 0.293 594 S C 0.747 175.054 174.600 -0.489 0.000 1.089 594 S CA -0.855 57.111 58.200 -0.390 0.000 0.945 594 S CB 1.041 64.020 63.200 -0.369 0.000 1.077 594 S HN 1.139 nan 8.310 nan 0.000 0.485 595 C N 0.705 119.671 119.300 -0.555 0.000 1.822 595 C HA 0.845 5.304 4.460 -0.001 0.000 0.085 595 C C 1.838 176.782 174.990 -0.078 0.000 2.775 595 C CA 0.480 59.394 59.018 -0.172 0.000 1.806 595 C CB -1.187 26.486 27.740 -0.113 0.000 2.480 595 C HN 0.904 nan 8.230 nan 0.000 0.258 596 G N -1.209 107.220 108.800 -0.618 0.000 3.228 596 G HA2 0.223 4.183 3.960 -0.001 0.000 0.245 596 G HA3 0.223 4.183 3.960 -0.001 0.000 0.245 596 G C 0.713 175.174 174.900 -0.732 0.000 1.051 596 G CA 0.875 45.310 45.100 -1.108 0.000 0.809 596 G HN 1.171 nan 8.290 nan 0.000 0.531 597 C N -0.073 118.970 119.300 -0.428 0.000 2.994 597 C HA 0.594 5.054 4.460 -0.001 0.000 0.284 597 C C 0.764 175.608 174.990 -0.243 0.000 1.404 597 C CA -1.909 56.901 59.018 -0.346 0.000 1.775 597 C CB -2.298 25.297 27.740 -0.242 0.000 2.458 597 C HN 0.214 nan 8.230 nan 0.000 0.593 598 F N 1.306 121.266 119.950 0.015 0.000 2.602 598 F HA 0.332 4.859 4.527 -0.000 0.000 0.367 598 F C 1.250 177.150 175.800 0.166 0.000 1.126 598 F CA -0.176 57.877 58.000 0.088 0.000 1.321 598 F CB 0.217 39.281 39.000 0.106 0.000 1.094 598 F HN 0.201 nan 8.300 nan 0.000 0.594 599 E N 1.724 122.085 120.200 0.268 0.000 2.112 599 E HA 0.195 4.545 4.350 -0.001 0.000 0.190 599 E C 0.492 177.277 176.600 0.309 0.000 0.979 599 E CA 0.895 57.391 56.400 0.160 0.000 0.814 599 E CB 0.096 29.842 29.700 0.076 0.000 0.762 599 E HN 0.734 nan 8.360 nan 0.000 0.460 600 A N 0.723 123.828 122.820 0.475 0.000 2.527 600 A HA 0.693 5.013 4.320 -0.001 0.000 0.293 600 A C -1.152 176.764 177.584 0.553 0.000 1.117 600 A CA -0.662 51.689 52.037 0.524 0.000 0.723 600 A CB 1.312 20.506 19.000 0.323 0.000 1.313 600 A HN 0.049 nan 8.150 nan 0.000 0.411 601 I N 0.672 121.514 120.570 0.454 0.000 2.545 601 I HA 0.397 4.567 4.170 -0.001 0.000 0.292 601 I C -0.479 175.777 176.117 0.231 0.000 1.040 601 I CA -0.192 61.245 61.300 0.229 0.000 1.068 601 I CB 2.153 40.194 38.000 0.069 0.000 1.251 601 I HN 0.592 nan 8.210 nan 0.000 0.424 602 M N 5.314 125.022 119.600 0.179 0.000 2.180 602 M HA 0.691 5.170 4.480 -0.001 0.000 0.350 602 M C -0.411 175.939 176.300 0.084 0.000 1.125 602 M CA -0.415 54.978 55.300 0.156 0.000 1.031 602 M CB 1.721 34.408 32.600 0.146 0.000 1.623 602 M HN 0.668 nan 8.290 nan 0.000 0.451 603 A N 3.443 126.288 122.820 0.042 0.000 2.356 603 A HA 0.701 5.021 4.320 -0.001 0.000 0.310 603 A C -0.813 176.614 177.584 -0.262 0.000 1.075 603 A CA -0.755 51.197 52.037 -0.141 0.000 0.746 603 A CB 0.949 20.058 19.000 0.180 0.000 1.221 603 A HN 0.779 nan 8.150 nan 0.000 0.443 604 I N 1.424 121.652 120.570 -0.570 0.000 2.872 604 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 604 I C -0.288 175.692 176.117 -0.228 0.000 1.216 604 I CA 0.006 61.072 61.300 -0.391 0.000 1.424 604 I CB 0.232 37.919 38.000 -0.522 0.000 1.351 604 I HN 0.505 nan 8.210 nan 0.000 0.592 605 L N 9.343 130.483 121.223 -0.138 0.000 2.462 605 L HA 0.287 4.627 4.340 -0.001 0.000 0.255 605 L C -1.824 175.001 176.870 -0.076 0.000 1.076 605 L CA -1.339 53.450 54.840 -0.085 0.000 0.920 605 L CB 1.175 43.202 42.059 -0.054 0.000 1.214 605 L HN 0.493 nan 8.230 nan 0.000 0.472 606 P HA -0.234 nan 4.420 nan 0.000 0.215 606 P C 1.255 178.530 177.300 -0.042 0.000 1.157 606 P CA 1.224 64.283 63.100 -0.067 0.000 0.874 606 P CB 0.393 32.057 31.700 -0.060 0.000 0.790 607 E N -1.315 118.865 120.200 -0.033 0.000 2.333 607 E HA -0.157 4.192 4.350 -0.001 0.000 0.198 607 E C 0.670 177.257 176.600 -0.022 0.000 1.007 607 E CA 0.744 57.131 56.400 -0.022 0.000 0.845 607 E CB -0.231 29.458 29.700 -0.018 0.000 0.766 607 E HN 0.199 nan 8.360 nan 0.000 0.507 608 C N 0.548 119.829 119.300 -0.031 0.000 2.791 608 C HA 0.196 4.655 4.460 -0.001 0.000 0.270 608 C C 0.859 175.828 174.990 -0.035 0.000 1.257 608 C CA -0.213 58.784 59.018 -0.034 0.000 1.699 608 C CB -1.381 26.332 27.740 -0.044 0.000 1.904 608 C HN 0.539 nan 8.230 nan 0.000 0.603 609 N N 0.398 119.081 118.700 -0.029 0.000 2.693 609 N HA -0.137 4.603 4.740 -0.001 0.000 0.249 609 N C -0.025 175.473 175.510 -0.019 0.000 1.119 609 N CA 1.097 54.134 53.050 -0.022 0.000 0.717 609 N CB -0.931 37.553 38.487 -0.005 0.000 1.071 609 N HN 0.709 nan 8.380 nan 0.000 0.555 610 G N -1.361 107.420 108.800 -0.032 0.000 2.870 610 G HA2 0.766 4.726 3.960 -0.001 0.000 0.299 610 G HA3 0.766 4.726 3.960 -0.001 0.000 0.299 610 G C -1.165 173.723 174.900 -0.021 0.000 1.324 610 G CA -0.658 44.433 45.100 -0.015 0.000 0.808 610 G HN 0.164 nan 8.290 nan 0.000 0.535 611 I N 0.736 121.320 120.570 0.025 0.000 2.533 611 I HA 0.375 4.545 4.170 -0.001 0.000 0.290 611 I C -0.030 176.155 176.117 0.115 0.000 1.056 611 I CA -0.736 60.584 61.300 0.033 0.000 1.057 611 I CB 2.304 40.327 38.000 0.037 0.000 1.240 611 I HN 0.649 nan 8.210 nan 0.000 0.423 612 M N 5.916 125.589 119.600 0.122 0.000 2.444 612 M HA 0.716 5.196 4.480 -0.001 0.000 0.319 612 M C -1.156 175.303 176.300 0.266 0.000 1.183 612 M CA -0.202 55.247 55.300 0.247 0.000 1.032 612 M CB 1.792 34.523 32.600 0.218 0.000 1.569 612 M HN 0.312 nan 8.290 nan 0.000 0.468 613 I N 0.540 121.320 120.570 0.350 0.000 2.545 613 I HA 0.571 4.740 4.170 -0.001 0.000 0.292 613 I C -0.528 175.818 176.117 0.382 0.000 1.040 613 I CA -0.580 60.905 61.300 0.309 0.000 1.068 613 I CB 2.361 40.498 38.000 0.229 0.000 1.251 613 I HN 0.878 nan 8.210 nan 0.000 0.424 614 T N 2.980 117.770 114.554 0.394 0.000 2.901 614 T HA 0.702 5.051 4.350 -0.001 0.000 0.293 614 T C -0.552 174.428 174.700 0.468 0.000 1.084 614 T CA -0.302 62.060 62.100 0.438 0.000 1.008 614 T CB 1.906 71.106 68.868 0.554 0.000 1.170 614 T HN 0.805 nan 8.240 nan 0.000 0.509 615 T N -0.258 114.509 114.554 0.355 0.000 2.926 615 T HA 0.463 4.813 4.350 -0.001 0.000 0.289 615 T C 1.009 175.523 174.700 -0.310 0.000 1.054 615 T CA -0.922 61.268 62.100 0.151 0.000 1.015 615 T CB 1.656 70.530 68.868 0.009 0.000 1.167 615 T HN 0.648 nan 8.240 nan 0.000 0.526 616 R N 0.308 120.359 120.500 -0.748 0.000 2.189 616 R HA -0.074 4.265 4.340 -0.001 0.000 0.218 616 R C 1.204 177.260 176.300 -0.406 0.000 1.074 616 R CA 1.803 57.106 56.100 -1.327 0.000 0.991 616 R CB -0.270 29.581 30.300 -0.749 0.000 0.883 616 R HN 0.826 nan 8.270 nan 0.000 0.457 617 D N -1.564 118.672 120.400 -0.273 0.000 2.350 617 D HA -0.114 4.526 4.640 -0.001 0.000 0.213 617 D C -0.181 176.022 176.300 -0.162 0.000 1.031 617 D CA 0.025 53.811 54.000 -0.356 0.000 0.861 617 D CB -0.311 40.147 40.800 -0.569 0.000 0.926 617 D HN 0.243 nan 8.370 nan 0.000 0.520 618 H N 0.569 119.561 119.070 -0.130 0.000 2.782 618 H HA 0.527 5.083 4.556 -0.001 0.000 0.285 618 H C 0.930 176.308 175.328 0.083 0.000 1.093 618 H CA -0.029 56.015 56.048 -0.007 0.000 1.410 618 H CB 1.467 31.268 29.762 0.065 0.000 1.439 618 H HN -0.010 nan 8.280 nan 0.000 0.469 619 A N 3.922 126.560 122.820 -0.302 0.000 2.067 619 A HA 0.140 4.460 4.320 -0.001 0.000 0.217 619 A C 1.610 179.103 177.584 -0.153 0.000 1.156 619 A CA 0.607 52.560 52.037 -0.140 0.000 0.683 619 A CB -0.506 18.441 19.000 -0.088 0.000 0.808 619 A HN 0.768 nan 8.150 nan 0.000 0.455 620 G N -1.023 107.524 108.800 -0.423 0.000 2.636 620 G HA2 0.389 4.348 3.960 -0.001 0.000 0.246 620 G HA3 0.389 4.348 3.960 -0.001 0.000 0.246 620 G C 0.261 175.242 174.900 0.135 0.000 1.216 620 G CA -0.515 44.533 45.100 -0.087 0.000 0.854 620 G HN 0.124 nan 8.290 nan 0.000 0.572 621 M N 0.733 120.395 119.600 0.104 0.000 2.246 621 M HA 0.138 4.617 4.480 -0.001 0.000 0.327 621 M C 0.952 177.248 176.300 -0.007 0.000 1.090 621 M CA 0.348 55.679 55.300 0.052 0.000 1.087 621 M CB 0.408 33.016 32.600 0.012 0.000 1.587 621 M HN 0.758 nan 8.290 nan 0.000 0.444 622 T N 1.049 115.497 114.554 -0.177 0.000 2.916 622 T HA 0.638 4.988 4.350 -0.001 0.000 0.292 622 T C -2.410 171.979 174.700 -0.519 0.000 1.064 622 T CA -1.624 60.109 62.100 -0.612 0.000 1.011 622 T CB 1.875 70.487 68.868 -0.427 0.000 1.152 622 T HN 0.411 nan 8.240 nan 0.000 0.510 623 P HA 0.054 nan 4.420 nan 0.000 0.239 623 P C 1.256 178.426 177.300 -0.215 0.000 1.184 623 P CA 0.393 63.246 63.100 -0.412 0.000 0.760 623 P CB -0.180 31.248 31.700 -0.453 0.000 0.884 624 S N -1.857 113.739 115.700 -0.172 0.000 2.607 624 S HA 0.220 4.690 4.470 -0.001 0.000 0.224 624 S C 1.792 176.369 174.600 -0.038 0.000 0.969 624 S CA 0.609 58.778 58.200 -0.053 0.000 0.927 624 S CB -1.181 62.033 63.200 0.025 0.000 0.772 624 S HN 0.281 nan 8.310 nan 0.000 0.533 625 G N 1.236 109.994 108.800 -0.072 0.000 2.241 625 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 625 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 625 G C 0.048 174.931 174.900 -0.029 0.000 0.998 625 G CA 0.378 45.451 45.100 -0.045 0.000 0.621 625 G HN 0.731 nan 8.290 nan 0.000 0.519 626 M N 0.514 120.102 119.600 -0.019 0.000 2.716 626 M HA 0.742 5.222 4.480 -0.001 0.000 0.307 626 M C 0.328 176.653 176.300 0.041 0.000 1.223 626 M CA -0.302 55.003 55.300 0.007 0.000 0.871 626 M CB 1.566 34.169 32.600 0.004 0.000 1.739 626 M HN 0.376 nan 8.290 nan 0.000 0.475 627 T N -1.997 112.604 114.554 0.078 0.000 2.902 627 T HA 0.351 4.700 4.350 -0.001 0.000 0.280 627 T C 0.637 175.466 174.700 0.215 0.000 0.992 627 T CA -0.617 61.577 62.100 0.157 0.000 1.015 627 T CB 1.156 70.112 68.868 0.147 0.000 1.044 627 T HN 0.642 nan 8.240 nan 0.000 0.520 628 F N 1.609 121.666 119.950 0.177 0.000 2.111 628 F HA -0.233 4.294 4.527 -0.001 0.000 0.300 628 F C 2.507 178.415 175.800 0.181 0.000 1.088 628 F CA 2.384 60.508 58.000 0.208 0.000 1.243 628 F CB -0.890 38.254 39.000 0.239 0.000 0.996 628 F HN 0.628 nan 8.300 nan 0.000 0.483 629 S N -0.540 115.390 115.700 0.383 0.000 2.353 629 S HA -0.214 4.255 4.470 -0.001 0.000 0.222 629 S C 1.952 176.601 174.600 0.082 0.000 1.035 629 S CA 1.905 60.249 58.200 0.240 0.000 1.025 629 S CB -0.812 62.504 63.200 0.194 0.000 0.902 629 S HN 0.525 nan 8.310 nan 0.000 0.440 630 T N 2.929 117.520 114.554 0.061 0.000 2.708 630 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 630 T C 1.799 176.476 174.700 -0.037 0.000 1.037 630 T CA 0.967 63.074 62.100 0.013 0.000 1.146 630 T CB -0.493 68.382 68.868 0.011 0.000 0.865 630 T HN 0.197 nan 8.240 nan 0.000 0.435 631 L N 0.773 121.960 121.223 -0.060 0.000 1.989 631 L HA -0.174 4.166 4.340 -0.001 0.000 0.211 631 L C 3.080 179.856 176.870 -0.158 0.000 1.071 631 L CA 1.418 56.187 54.840 -0.118 0.000 0.749 631 L CB -0.754 41.251 42.059 -0.091 0.000 0.890 631 L HN 0.270 nan 8.230 nan 0.000 0.431 632 A N 0.212 122.907 122.820 -0.208 0.000 1.958 632 A HA -0.232 4.088 4.320 -0.001 0.000 0.221 632 A C 2.353 179.968 177.584 0.053 0.000 1.178 632 A CA 1.999 54.013 52.037 -0.039 0.000 0.642 632 A CB -1.375 17.623 19.000 -0.003 0.000 0.816 632 A HN 0.514 nan 8.150 nan 0.000 0.453 633 G N 0.065 108.873 108.800 0.013 0.000 2.440 633 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 633 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 633 G C 1.669 176.556 174.900 -0.023 0.000 1.154 633 G CA 1.564 46.676 45.100 0.020 0.000 0.767 633 G HN 0.761 nan 8.290 nan 0.000 0.552 634 M N 0.233 119.777 119.600 -0.094 0.000 2.325 634 M HA 0.270 4.750 4.480 -0.001 0.000 0.265 634 M C 2.453 178.665 176.300 -0.147 0.000 1.094 634 M CA 1.082 56.294 55.300 -0.146 0.000 1.161 634 M CB -0.355 32.096 32.600 -0.250 0.000 1.358 634 M HN 0.208 nan 8.290 nan 0.000 0.446 635 I N -0.135 120.333 120.570 -0.170 0.000 3.444 635 I HA 0.327 4.497 4.170 -0.001 0.000 0.287 635 I C 1.043 177.096 176.117 -0.107 0.000 1.302 635 I CA -0.087 61.120 61.300 -0.155 0.000 1.368 635 I CB -0.955 36.906 38.000 -0.230 0.000 1.048 635 I HN 0.212 nan 8.210 nan 0.000 0.487 636 G N 0.596 109.393 108.800 -0.006 0.000 2.621 636 G HA2 0.401 4.360 3.960 -0.001 0.000 0.271 636 G HA3 0.401 4.360 3.960 -0.001 0.000 0.271 636 G C 0.726 175.702 174.900 0.128 0.000 1.236 636 G CA -0.064 45.112 45.100 0.127 0.000 0.958 636 G HN 0.797 nan 8.290 nan 0.000 0.512 637 G N -1.794 107.140 108.800 0.224 0.000 2.289 637 G HA2 0.265 4.225 3.960 -0.001 0.000 0.280 637 G HA3 0.265 4.225 3.960 -0.001 0.000 0.280 637 G C 1.346 176.335 174.900 0.148 0.000 1.089 637 G CA 0.863 46.089 45.100 0.210 0.000 0.939 637 G HN 2.494 nan 8.290 nan 0.000 0.499 638 G N -1.373 107.515 108.800 0.147 0.000 2.187 638 G HA2 0.060 4.020 3.960 -0.001 0.000 0.261 638 G HA3 0.060 4.020 3.960 -0.001 0.000 0.261 638 G C 0.875 175.853 174.900 0.129 0.000 1.000 638 G CA 1.716 46.926 45.100 0.184 0.000 0.718 638 G HN 2.619 nan 8.290 nan 0.000 0.519 639 T N -2.984 111.623 114.554 0.088 0.000 2.928 639 T HA 0.637 4.987 4.350 -0.001 0.000 0.284 639 T C -0.081 174.657 174.700 0.063 0.000 1.008 639 T CA -0.261 61.878 62.100 0.065 0.000 1.057 639 T CB 2.203 71.096 68.868 0.042 0.000 1.018 639 T HN 0.345 nan 8.240 nan 0.000 0.493 640 Q N 1.649 121.486 119.800 0.063 0.000 2.340 640 Q HA 0.447 4.787 4.340 -0.001 0.000 0.259 640 Q C -0.646 175.398 176.000 0.073 0.000 0.964 640 Q CA -0.625 55.219 55.803 0.068 0.000 0.900 640 Q CB 0.779 29.558 28.738 0.067 0.000 1.228 640 Q HN 0.931 nan 8.270 nan 0.000 0.449 641 T N 1.904 116.515 114.554 0.094 0.000 3.150 641 T HA 0.449 4.799 4.350 -0.001 0.000 0.383 641 T C -2.655 172.184 174.700 0.233 0.000 1.313 641 T CA -2.220 59.966 62.100 0.143 0.000 1.235 641 T CB 0.920 69.854 68.868 0.110 0.000 1.088 641 T HN 0.349 nan 8.240 nan 0.000 0.556 642 P HA 0.309 nan 4.420 nan 0.000 0.261 642 P C 1.260 178.744 177.300 0.306 0.000 1.183 642 P CA 1.189 64.446 63.100 0.261 0.000 0.761 642 P CB 0.283 32.127 31.700 0.240 0.000 0.785 643 G N 1.650 110.490 108.800 0.067 0.000 2.195 643 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.224 643 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.224 643 G C -0.247 174.240 174.900 -0.689 0.000 0.990 643 G CA -0.567 44.329 45.100 -0.340 0.000 0.639 643 G HN 0.420 nan 8.290 nan 0.000 0.514 644 F N -0.137 119.814 119.950 0.001 0.000 2.561 644 F HA 0.830 5.357 4.527 -0.001 0.000 0.313 644 F C 0.068 175.845 175.800 -0.038 0.000 1.126 644 F CA -0.782 57.203 58.000 -0.024 0.000 0.918 644 F CB 2.282 41.256 39.000 -0.043 0.000 1.199 644 F HN 0.115 nan 8.300 nan 0.000 0.444 645 M N 1.777 121.441 119.600 0.106 0.000 2.421 645 M HA 0.680 5.159 4.480 -0.001 0.000 0.287 645 M C -0.874 175.398 176.300 -0.046 0.000 1.183 645 M CA -0.445 54.873 55.300 0.029 0.000 0.916 645 M CB 2.305 34.947 32.600 0.069 0.000 1.701 645 M HN 0.728 nan 8.290 nan 0.000 0.470 646 G N 4.641 113.319 108.800 -0.203 0.000 2.338 646 G HA2 0.642 4.602 3.960 -0.001 0.000 0.298 646 G HA3 0.642 4.602 3.960 -0.001 0.000 0.298 646 G C -0.845 174.088 174.900 0.054 0.000 1.140 646 G CA -0.612 44.324 45.100 -0.273 0.000 0.860 646 G HN 0.877 nan 8.290 nan 0.000 0.470 647 I N -0.323 120.379 120.570 0.220 0.000 3.174 647 I HA 0.896 5.065 4.170 -0.001 0.000 0.313 647 I C 0.381 176.669 176.117 0.285 0.000 1.155 647 I CA -1.494 59.970 61.300 0.273 0.000 0.977 647 I CB 2.192 40.454 38.000 0.436 0.000 1.248 647 I HN 0.560 nan 8.210 nan 0.000 0.453 648 G N 1.520 110.466 108.800 0.244 0.000 2.448 648 G HA2 0.376 4.336 3.960 -0.001 0.000 0.285 648 G HA3 0.376 4.336 3.960 -0.001 0.000 0.285 648 G C 0.263 175.298 174.900 0.226 0.000 1.176 648 G CA -0.679 44.543 45.100 0.203 0.000 0.852 648 G HN 0.828 nan 8.290 nan 0.000 0.530 649 R N -0.466 120.140 120.500 0.176 0.000 2.094 649 R HA -0.148 4.192 4.340 -0.001 0.000 0.239 649 R C 2.999 179.398 176.300 0.164 0.000 1.137 649 R CA 2.266 58.471 56.100 0.174 0.000 0.943 649 R CB -0.545 29.877 30.300 0.204 0.000 0.850 649 R HN 0.700 nan 8.270 nan 0.000 0.433 650 T N -1.767 112.893 114.554 0.177 0.000 2.977 650 T HA -0.199 4.151 4.350 -0.001 0.000 0.271 650 T C 1.681 176.452 174.700 0.118 0.000 1.105 650 T CA 0.941 63.110 62.100 0.114 0.000 1.116 650 T CB -0.413 68.513 68.868 0.097 0.000 0.878 650 T HN 0.272 nan 8.240 nan 0.000 0.509 651 Y N 2.237 122.565 120.300 0.048 0.000 2.256 651 Y HA -0.043 4.506 4.550 -0.001 0.000 0.288 651 Y C 1.886 177.726 175.900 -0.100 0.000 1.155 651 Y CA 0.151 58.306 58.100 0.090 0.000 1.203 651 Y CB -0.722 37.868 38.460 0.216 0.000 0.980 651 Y HN 0.284 nan 8.280 nan 0.000 0.530 652 I N -0.324 119.971 120.570 -0.460 0.000 2.248 652 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 652 I C 2.040 177.650 176.117 -0.845 0.000 1.107 652 I CA 1.865 62.456 61.300 -1.182 0.000 1.373 652 I CB -0.523 37.107 38.000 -0.617 0.000 1.055 652 I HN 0.237 nan 8.210 nan 0.000 0.418 653 V N -2.904 116.793 119.914 -0.362 0.000 3.647 653 V HA 0.164 4.283 4.120 -0.001 0.000 0.279 653 V C 1.053 177.090 176.094 -0.094 0.000 1.314 653 V CA -0.271 61.910 62.300 -0.198 0.000 1.125 653 V CB -0.506 31.241 31.823 -0.128 0.000 0.907 653 V HN 0.290 nan 8.190 nan 0.000 0.434 654 S N 0.792 116.462 115.700 -0.051 0.000 2.568 654 S HA 0.142 4.612 4.470 -0.001 0.000 0.282 654 S C 1.222 175.850 174.600 0.047 0.000 1.338 654 S CA -0.004 58.235 58.200 0.065 0.000 1.045 654 S CB 0.931 64.278 63.200 0.246 0.000 0.873 654 S HN 0.588 nan 8.310 nan 0.000 0.516 655 K N 2.255 122.680 120.400 0.042 0.000 2.147 655 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 655 K C 1.209 177.813 176.600 0.006 0.000 1.049 655 K CA 0.961 57.255 56.287 0.011 0.000 0.936 655 K CB -0.041 32.455 32.500 -0.008 0.000 0.722 655 K HN 0.441 nan 8.250 nan 0.000 0.446 656 K N 0.797 121.226 120.400 0.048 0.000 2.522 656 K HA 0.026 4.345 4.320 -0.001 0.000 0.194 656 K C -0.047 176.631 176.600 0.130 0.000 1.026 656 K CA -0.151 56.139 56.287 0.005 0.000 1.119 656 K CB -0.481 32.046 32.500 0.044 0.000 0.856 656 K HN 0.042 nan 8.250 nan 0.000 0.513 657 F N 3.075 122.937 119.950 -0.147 0.000 2.538 657 F HA -0.033 4.494 4.527 -0.000 0.000 0.382 657 F C 1.142 176.827 175.800 -0.191 0.000 1.069 657 F CA -0.662 57.047 58.000 -0.485 0.000 1.138 657 F CB -0.578 38.101 39.000 -0.536 0.000 1.068 657 F HN 0.239 nan 8.300 nan 0.000 0.556 658 I N 3.169 123.434 120.570 -0.509 0.000 3.957 658 I HA -0.413 3.757 4.170 -0.001 0.000 0.126 658 I C 1.228 177.241 176.117 -0.174 0.000 1.100 658 I CA 0.981 62.082 61.300 -0.332 0.000 2.732 658 I CB -2.173 35.474 38.000 -0.589 0.000 1.577 658 I HN 0.571 nan 8.210 nan 0.000 0.340 659 S N 1.297 116.949 115.700 -0.079 0.000 2.399 659 S HA -0.043 4.426 4.470 -0.001 0.000 0.231 659 S C 2.058 176.625 174.600 -0.056 0.000 1.022 659 S CA 0.736 58.879 58.200 -0.095 0.000 0.983 659 S CB -0.239 62.863 63.200 -0.163 0.000 0.803 659 S HN 0.992 nan 8.310 nan 0.000 0.480 660 A N 1.576 124.401 122.820 0.007 0.000 2.125 660 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 660 A C 1.519 179.097 177.584 -0.009 0.000 1.156 660 A CA 1.424 53.473 52.037 0.021 0.000 0.671 660 A CB -0.374 18.673 19.000 0.078 0.000 0.794 660 A HN 0.499 nan 8.150 nan 0.000 0.459 661 D N -2.067 118.311 120.400 -0.036 0.000 2.398 661 D HA 0.312 4.952 4.640 -0.001 0.000 0.210 661 D C 1.260 177.531 176.300 -0.048 0.000 1.094 661 D CA 0.994 54.966 54.000 -0.046 0.000 0.839 661 D CB 0.531 41.288 40.800 -0.073 0.000 0.963 661 D HN 0.525 nan 8.370 nan 0.000 0.506 662 G N 0.082 108.851 108.800 -0.052 0.000 2.179 662 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.220 662 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.220 662 G C 0.902 175.771 174.900 -0.051 0.000 0.990 662 G CA 0.119 45.192 45.100 -0.046 0.000 0.646 662 G HN 0.766 nan 8.290 nan 0.000 0.517 663 G N -0.298 108.456 108.800 -0.076 0.000 2.601 663 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.252 663 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.252 663 G C 1.080 176.033 174.900 0.089 0.000 1.294 663 G CA 0.367 45.446 45.100 -0.036 0.000 0.912 663 G HN 1.269 nan 8.290 nan 0.000 0.574 664 I N 1.071 121.769 120.570 0.213 0.000 2.399 664 I HA -0.123 4.047 4.170 -0.001 0.000 0.254 664 I C 3.027 179.262 176.117 0.198 0.000 1.146 664 I CA 2.326 63.795 61.300 0.283 0.000 1.412 664 I CB -0.448 37.647 38.000 0.159 0.000 1.076 664 I HN 0.835 nan 8.210 nan 0.000 0.432 665 A N 0.353 123.139 122.820 -0.056 0.000 2.084 665 A HA -0.220 4.100 4.320 -0.001 0.000 0.221 665 A C 2.165 179.915 177.584 0.278 0.000 1.161 665 A CA 1.307 53.282 52.037 -0.103 0.000 0.653 665 A CB -0.504 18.376 19.000 -0.199 0.000 0.802 665 A HN 0.365 nan 8.150 nan 0.000 0.457 666 R N -0.926 119.713 120.500 0.231 0.000 2.275 666 R HA 0.174 4.513 4.340 -0.001 0.000 0.199 666 R C -0.104 176.358 176.300 0.269 0.000 0.989 666 R CA 0.085 56.312 56.100 0.212 0.000 1.016 666 R CB -0.440 29.912 30.300 0.087 0.000 0.918 666 R HN 0.506 nan 8.270 nan 0.000 0.473 667 I N 1.842 122.644 120.570 0.387 0.000 2.436 667 I HA -0.081 4.088 4.170 -0.001 0.000 0.289 667 I C 1.532 177.845 176.117 0.327 0.000 1.083 667 I CA 0.050 61.550 61.300 0.332 0.000 1.372 667 I CB 1.341 39.538 38.000 0.329 0.000 1.408 667 I HN -0.156 nan 8.210 nan 0.000 0.516 668 V N 3.343 123.350 119.914 0.154 0.000 3.661 668 V HA 0.321 4.441 4.120 -0.001 0.000 0.271 668 V C -0.118 176.098 176.094 0.203 0.000 1.315 668 V CA -0.360 61.950 62.300 0.016 0.000 1.072 668 V CB -0.484 31.257 31.823 -0.137 0.000 0.830 668 V HN 0.756 nan 8.190 nan 0.000 0.443 669 W N 0.107 121.420 121.300 0.020 0.000 3.573 669 W HA 0.767 5.426 4.660 -0.001 0.000 0.306 669 W C -1.324 175.203 176.519 0.013 0.000 1.227 669 W CA -0.622 56.731 57.345 0.012 0.000 1.212 669 W CB 1.853 31.318 29.460 0.008 0.000 1.331 669 W HN -0.044 nan 8.180 nan 0.000 0.524 670 M N 5.337 124.507 119.600 -0.716 0.000 2.520 670 M HA 0.316 4.796 4.480 -0.001 0.000 0.280 670 M C -2.559 173.041 176.300 -1.166 0.000 1.232 670 M CA -1.768 53.149 55.300 -0.638 0.000 0.892 670 M CB 2.955 35.353 32.600 -0.337 0.000 1.728 670 M HN 0.040 nan 8.290 nan 0.000 0.475 671 P HA 0.081 nan 4.420 nan 0.000 0.268 671 P C -0.336 176.696 177.300 -0.446 0.000 1.205 671 P CA 0.016 62.654 63.100 -0.771 0.000 0.771 671 P CB 0.583 31.869 31.700 -0.690 0.000 0.858 672 K N 2.438 122.636 120.400 -0.335 0.000 2.209 672 K HA -0.161 4.159 4.320 -0.001 0.000 0.204 672 K C 1.576 178.108 176.600 -0.112 0.000 1.048 672 K CA 2.044 58.214 56.287 -0.195 0.000 0.940 672 K CB -0.370 32.047 32.500 -0.138 0.000 0.729 672 K HN 0.448 nan 8.250 nan 0.000 0.451 673 S N 0.948 116.587 115.700 -0.102 0.000 2.368 673 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 673 S C 1.983 176.575 174.600 -0.015 0.000 1.029 673 S CA 0.908 59.078 58.200 -0.049 0.000 0.988 673 S CB -0.606 62.562 63.200 -0.053 0.000 0.838 673 S HN 0.350 nan 8.310 nan 0.000 0.462 674 L N 1.278 122.465 121.223 -0.061 0.000 2.012 674 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 674 L C 2.686 179.581 176.870 0.041 0.000 1.073 674 L CA 1.750 56.591 54.840 0.002 0.000 0.748 674 L CB -0.446 41.579 42.059 -0.057 0.000 0.891 674 L HN 0.361 nan 8.230 nan 0.000 0.431 675 K N -0.351 120.026 120.400 -0.038 0.000 2.074 675 K HA -0.231 4.089 4.320 -0.001 0.000 0.209 675 K C 1.646 178.285 176.600 0.065 0.000 1.048 675 K CA 1.953 58.229 56.287 -0.019 0.000 0.926 675 K CB -0.116 32.349 32.500 -0.059 0.000 0.713 675 K HN 0.382 nan 8.250 nan 0.000 0.444 676 D N 0.053 120.493 120.400 0.067 0.000 2.103 676 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 676 D C 1.633 178.011 176.300 0.131 0.000 0.978 676 D CA 0.745 54.796 54.000 0.085 0.000 0.829 676 D CB -0.305 40.518 40.800 0.039 0.000 0.981 676 D HN 0.046 nan 8.370 nan 0.000 0.464 677 F N 1.008 120.946 119.950 -0.021 0.000 2.154 677 F HA -0.101 4.425 4.527 -0.001 0.000 0.301 677 F C 1.719 177.515 175.800 -0.007 0.000 1.087 677 F CA 1.234 59.223 58.000 -0.019 0.000 1.274 677 F CB -0.003 38.975 39.000 -0.036 0.000 1.009 677 F HN -0.094 nan 8.300 nan 0.000 0.485 678 L N -0.901 120.323 121.223 0.002 0.000 2.769 678 L HA 0.031 4.370 4.340 -0.001 0.000 0.240 678 L C 2.083 178.912 176.870 -0.069 0.000 1.163 678 L CA -0.063 54.708 54.840 -0.114 0.000 0.962 678 L CB -0.871 41.160 42.059 -0.046 0.000 1.258 678 L HN 0.192 nan 8.230 nan 0.000 0.513 679 H N 1.934 120.949 119.070 -0.093 0.000 2.268 679 H HA -0.273 4.283 4.556 -0.000 0.000 0.288 679 H C 1.192 176.479 175.328 -0.069 0.000 1.088 679 H CA 2.700 58.706 56.048 -0.070 0.000 1.182 679 H CB 0.255 29.982 29.762 -0.059 0.000 1.348 679 H HN 0.325 nan 8.280 nan 0.000 0.499 680 D N 0.265 120.699 120.400 0.057 0.000 2.158 680 D HA -0.143 4.497 4.640 -0.001 0.000 0.197 680 D C 2.269 178.520 176.300 -0.082 0.000 0.995 680 D CA 1.221 55.222 54.000 0.002 0.000 0.846 680 D CB -0.208 40.606 40.800 0.023 0.000 0.941 680 D HN 0.574 nan 8.370 nan 0.000 0.456 681 E N 0.389 120.530 120.200 -0.098 0.000 2.072 681 E HA -0.068 4.282 4.350 -0.001 0.000 0.190 681 E C 2.552 179.089 176.600 -0.104 0.000 0.982 681 E CA 0.267 56.609 56.400 -0.096 0.000 0.803 681 E CB -0.513 29.125 29.700 -0.104 0.000 0.755 681 E HN 0.186 nan 8.360 nan 0.000 0.453 682 V N 1.895 121.733 119.914 -0.127 0.000 2.282 682 V HA -0.255 3.865 4.120 -0.001 0.000 0.249 682 V C 2.669 178.706 176.094 -0.095 0.000 1.057 682 V CA 1.691 63.927 62.300 -0.106 0.000 1.032 682 V CB -0.734 31.010 31.823 -0.132 0.000 0.645 682 V HN 0.050 nan 8.190 nan 0.000 0.447 683 V N -0.448 119.362 119.914 -0.174 0.000 2.287 683 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 683 V C 2.553 178.605 176.094 -0.071 0.000 1.053 683 V CA 2.372 64.593 62.300 -0.132 0.000 1.027 683 V CB -0.810 30.908 31.823 -0.175 0.000 0.646 683 V HN 0.425 nan 8.190 nan 0.000 0.447 684 R N -0.441 120.017 120.500 -0.070 0.000 2.083 684 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 684 R C 2.629 178.898 176.300 -0.052 0.000 1.137 684 R CA 1.526 57.594 56.100 -0.052 0.000 0.951 684 R CB -0.218 30.054 30.300 -0.048 0.000 0.851 684 R HN 0.390 nan 8.270 nan 0.000 0.434 685 R N -0.275 120.191 120.500 -0.057 0.000 2.090 685 R HA 0.018 4.357 4.340 -0.001 0.000 0.228 685 R C 2.287 178.543 176.300 -0.073 0.000 1.110 685 R CA 1.080 57.145 56.100 -0.059 0.000 0.973 685 R CB -0.484 29.780 30.300 -0.060 0.000 0.869 685 R HN 0.169 nan 8.270 nan 0.000 0.440 686 S N 0.841 116.507 115.700 -0.055 0.000 2.359 686 S HA -0.116 4.353 4.470 -0.001 0.000 0.224 686 S C 2.203 176.747 174.600 -0.093 0.000 1.035 686 S CA 1.470 59.622 58.200 -0.081 0.000 1.018 686 S CB -0.321 62.907 63.200 0.045 0.000 0.876 686 S HN 0.047 nan 8.310 nan 0.000 0.448 687 V N 1.612 121.491 119.914 -0.058 0.000 2.295 687 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 687 V C 2.332 178.389 176.094 -0.062 0.000 1.049 687 V CA 1.811 64.079 62.300 -0.053 0.000 1.024 687 V CB -0.675 31.125 31.823 -0.038 0.000 0.648 687 V HN 0.467 nan 8.190 nan 0.000 0.447 688 E N -0.475 119.688 120.200 -0.061 0.000 2.219 688 E HA -0.232 4.118 4.350 -0.001 0.000 0.198 688 E C 1.391 177.948 176.600 -0.071 0.000 0.998 688 E CA 1.205 57.570 56.400 -0.059 0.000 0.818 688 E CB 0.013 29.681 29.700 -0.053 0.000 0.741 688 E HN 0.633 nan 8.360 nan 0.000 0.477 689 E N -1.294 118.848 120.200 -0.097 0.000 2.736 689 E HA 0.170 4.520 4.350 -0.001 0.000 0.208 689 E C 0.124 176.648 176.600 -0.128 0.000 0.996 689 E CA 0.117 56.448 56.400 -0.114 0.000 1.104 689 E CB 1.033 30.649 29.700 -0.140 0.000 1.111 689 E HN 0.297 nan 8.360 nan 0.000 0.455 690 G N 1.081 109.820 108.800 -0.101 0.000 2.233 690 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.270 690 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.270 690 G C 0.781 175.613 174.900 -0.113 0.000 1.011 690 G CA 0.438 45.485 45.100 -0.089 0.000 0.762 690 G HN 0.434 nan 8.290 nan 0.000 0.511 691 L N -0.103 121.024 121.223 -0.159 0.000 2.509 691 L HA 0.376 4.715 4.340 -0.001 0.000 0.222 691 L C 1.630 178.453 176.870 -0.078 0.000 1.123 691 L CA 0.678 55.391 54.840 -0.212 0.000 0.856 691 L CB -0.440 41.322 42.059 -0.495 0.000 0.985 691 L HN 1.075 nan 8.230 nan 0.000 0.456 692 G N 1.345 110.117 108.800 -0.047 0.000 2.777 692 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.686 692 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.686 692 G C 0.560 175.474 174.900 0.024 0.000 1.177 692 G CA 0.015 45.112 45.100 -0.005 0.000 0.775 692 G HN 0.497 nan 8.290 nan 0.000 0.613 693 E N 0.023 120.230 120.200 0.011 0.000 2.333 693 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 693 E C 0.956 177.568 176.600 0.021 0.000 1.007 693 E CA 1.260 57.666 56.400 0.009 0.000 0.845 693 E CB 0.031 29.729 29.700 -0.003 0.000 0.766 693 E HN 0.483 nan 8.360 nan 0.000 0.507 694 D N 0.273 120.692 120.400 0.032 0.000 2.363 694 D HA -0.060 4.579 4.640 -0.001 0.000 0.226 694 D C 1.170 177.485 176.300 0.025 0.000 1.020 694 D CA 0.167 54.179 54.000 0.021 0.000 0.892 694 D CB -0.197 40.611 40.800 0.013 0.000 0.900 694 D HN 0.236 nan 8.370 nan 0.000 0.531 695 F N 1.683 121.579 119.950 -0.089 0.000 2.202 695 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 695 F C 1.941 177.683 175.800 -0.097 0.000 1.082 695 F CA 0.770 58.698 58.000 -0.119 0.000 1.313 695 F CB -0.263 38.657 39.000 -0.133 0.000 1.024 695 F HN -0.095 nan 8.300 nan 0.000 0.495 696 I N 0.102 120.532 120.570 -0.234 0.000 2.286 696 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 696 I C 1.444 177.412 176.117 -0.248 0.000 1.115 696 I CA 1.776 62.890 61.300 -0.311 0.000 1.392 696 I CB -0.401 37.477 38.000 -0.205 0.000 1.065 696 I HN 0.035 nan 8.210 nan 0.000 0.418 697 D N 0.670 120.989 120.400 -0.135 0.000 2.363 697 D HA -0.091 4.549 4.640 -0.001 0.000 0.220 697 D C 1.824 178.122 176.300 -0.003 0.000 0.994 697 D CA 0.664 54.644 54.000 -0.033 0.000 0.890 697 D CB 0.046 40.859 40.800 0.021 0.000 0.906 697 D HN 0.454 nan 8.370 nan 0.000 0.530 698 K N 0.188 120.490 120.400 -0.163 0.000 2.305 698 K HA 0.128 4.448 4.320 -0.001 0.000 0.199 698 K C 0.850 177.456 176.600 0.009 0.000 1.047 698 K CA 0.166 56.370 56.287 -0.138 0.000 0.976 698 K CB 0.636 33.005 32.500 -0.218 0.000 0.765 698 K HN 0.119 nan 8.250 nan 0.000 0.474 699 I N 2.469 122.913 120.570 -0.210 0.000 2.517 699 I HA -0.007 4.163 4.170 -0.001 0.000 0.285 699 I C 0.506 176.653 176.117 0.050 0.000 1.106 699 I CA -0.556 60.714 61.300 -0.050 0.000 1.402 699 I CB 0.643 38.502 38.000 -0.235 0.000 1.399 699 I HN 0.057 nan 8.210 nan 0.000 0.535 700 A N 5.626 128.538 122.820 0.152 0.000 2.406 700 A HA 0.375 4.695 4.320 -0.001 0.000 0.243 700 A C -0.225 177.159 177.584 -0.333 0.000 1.082 700 A CA -0.147 51.922 52.037 0.053 0.000 0.786 700 A CB 0.267 19.421 19.000 0.258 0.000 1.029 700 A HN 0.862 nan 8.150 nan 0.000 0.495 701 D N -1.768 118.382 120.400 -0.417 0.000 2.798 701 D HA 0.296 4.936 4.640 -0.001 0.000 0.308 701 D C 0.787 176.942 176.300 -0.242 0.000 1.187 701 D CA 0.010 53.567 54.000 -0.738 0.000 1.033 701 D CB 0.171 40.660 40.800 -0.517 0.000 1.445 701 D HN 0.443 nan 8.370 nan 0.000 0.550 702 E N -0.362 119.759 120.200 -0.132 0.000 2.338 702 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 702 E C 1.298 177.952 176.600 0.090 0.000 1.007 702 E CA 1.780 58.315 56.400 0.224 0.000 0.849 702 E CB -0.729 29.150 29.700 0.299 0.000 0.774 702 E HN 0.600 nan 8.360 nan 0.000 0.506 703 T N -1.096 113.444 114.554 -0.024 0.000 3.055 703 T HA 0.025 4.375 4.350 -0.001 0.000 0.265 703 T C 1.870 176.525 174.700 -0.075 0.000 1.111 703 T CA 0.342 62.419 62.100 -0.039 0.000 1.118 703 T CB -0.072 68.758 68.868 -0.063 0.000 0.909 703 T HN 0.052 nan 8.240 nan 0.000 0.501 704 I N 1.393 121.892 120.570 -0.119 0.000 2.494 704 I HA 0.389 4.559 4.170 -0.001 0.000 0.250 704 I C 1.585 177.685 176.117 -0.029 0.000 1.112 704 I CA 0.874 62.063 61.300 -0.185 0.000 1.438 704 I CB -1.352 36.398 38.000 -0.417 0.000 1.111 704 I HN 0.594 nan 8.210 nan 0.000 0.431 705 G N -0.110 108.750 108.800 0.099 0.000 2.325 705 G HA2 0.273 4.233 3.960 -0.001 0.000 0.297 705 G HA3 0.273 4.233 3.960 -0.001 0.000 0.297 705 G C 0.019 175.058 174.900 0.231 0.000 1.448 705 G CA 0.278 45.454 45.100 0.127 0.000 0.838 705 G HN 0.015 nan 8.290 nan 0.000 0.579 706 T N -2.871 111.740 114.554 0.095 0.000 3.010 706 T HA 0.400 4.750 4.350 -0.001 0.000 0.257 706 T C 1.025 175.619 174.700 -0.177 0.000 1.020 706 T CA 1.216 63.300 62.100 -0.027 0.000 0.938 706 T CB 0.202 69.084 68.868 0.022 0.000 1.049 706 T HN 1.367 nan 8.240 nan 0.000 0.522 707 T N -0.963 113.537 114.554 -0.090 0.000 2.912 707 T HA 0.607 4.957 4.350 -0.001 0.000 0.288 707 T C 1.257 175.914 174.700 -0.072 0.000 1.030 707 T CA -0.629 61.413 62.100 -0.095 0.000 1.020 707 T CB 1.861 70.701 68.868 -0.047 0.000 1.056 707 T HN -0.180 nan 8.240 nan 0.000 0.480 708 V N 1.439 121.307 119.914 -0.075 0.000 2.380 708 V HA -0.186 3.933 4.120 -0.001 0.000 0.251 708 V C 2.512 178.604 176.094 -0.004 0.000 1.063 708 V CA 2.503 64.779 62.300 -0.039 0.000 1.055 708 V CB -0.926 30.874 31.823 -0.039 0.000 0.657 708 V HN 1.073 nan 8.190 nan 0.000 0.455 709 D N -0.321 120.076 120.400 -0.006 0.000 2.104 709 D HA -0.188 4.451 4.640 -0.001 0.000 0.194 709 D C 2.208 178.523 176.300 0.025 0.000 0.994 709 D CA 1.744 55.750 54.000 0.009 0.000 0.830 709 D CB -0.019 40.783 40.800 0.004 0.000 0.959 709 D HN 0.613 nan 8.370 nan 0.000 0.452 710 E N -0.348 119.868 120.200 0.025 0.000 2.028 710 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 710 E C 2.449 179.094 176.600 0.075 0.000 0.984 710 E CA 1.104 57.530 56.400 0.043 0.000 0.800 710 E CB -0.230 29.491 29.700 0.035 0.000 0.758 710 E HN 0.551 nan 8.360 nan 0.000 0.448 711 I N -0.618 120.002 120.570 0.084 0.000 2.439 711 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 711 I C 2.340 178.556 176.117 0.166 0.000 1.139 711 I CA 0.650 62.040 61.300 0.151 0.000 1.438 711 I CB -0.118 38.002 38.000 0.199 0.000 1.085 711 I HN 0.002 nan 8.210 nan 0.000 0.427 712 L N 2.249 123.530 121.223 0.096 0.000 2.012 712 L HA -0.013 4.327 4.340 -0.001 0.000 0.210 712 L C -0.422 176.500 176.870 0.086 0.000 1.073 712 L CA 2.310 57.195 54.840 0.074 0.000 0.748 712 L CB -1.763 40.317 42.059 0.036 0.000 0.891 712 L HN 0.172 nan 8.230 nan 0.000 0.431 713 P HA -0.223 nan 4.420 nan 0.000 0.218 713 P C 1.273 178.648 177.300 0.126 0.000 1.148 713 P CA 1.458 64.612 63.100 0.090 0.000 0.822 713 P CB -0.243 31.508 31.700 0.086 0.000 0.784 714 Y N 0.494 120.819 120.300 0.040 0.000 2.184 714 Y HA -0.136 4.414 4.550 -0.001 0.000 0.290 714 Y C 2.085 178.019 175.900 0.057 0.000 1.129 714 Y CA 1.297 59.425 58.100 0.046 0.000 1.144 714 Y CB -1.074 37.418 38.460 0.053 0.000 0.995 714 Y HN -0.246 nan 8.280 nan 0.000 0.513 715 L N 0.173 121.456 121.223 0.100 0.000 1.997 715 L HA -0.308 4.031 4.340 -0.001 0.000 0.216 715 L C 2.425 179.287 176.870 -0.014 0.000 1.074 715 L CA 2.163 57.017 54.840 0.024 0.000 0.763 715 L CB -0.790 41.295 42.059 0.043 0.000 0.890 715 L HN 0.312 nan 8.230 nan 0.000 0.434 716 E N -0.296 119.908 120.200 0.006 0.000 2.038 716 E HA -0.269 4.081 4.350 -0.001 0.000 0.195 716 E C 2.158 178.740 176.600 -0.029 0.000 1.000 716 E CA 1.224 57.625 56.400 0.003 0.000 0.803 716 E CB -0.181 29.529 29.700 0.016 0.000 0.750 716 E HN 0.450 nan 8.360 nan 0.000 0.448 717 E N 1.007 121.175 120.200 -0.053 0.000 2.070 717 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 717 E C 1.553 178.078 176.600 -0.124 0.000 1.004 717 E CA 1.133 57.489 56.400 -0.074 0.000 0.805 717 E CB 0.108 29.769 29.700 -0.065 0.000 0.744 717 E HN 0.092 nan 8.360 nan 0.000 0.451 718 K N -0.742 119.519 120.400 -0.232 0.000 2.444 718 K HA 0.063 4.383 4.320 -0.001 0.000 0.193 718 K C 0.585 177.125 176.600 -0.100 0.000 1.024 718 K CA 0.490 56.640 56.287 -0.229 0.000 1.077 718 K CB 0.553 32.783 32.500 -0.451 0.000 0.833 718 K HN 0.253 nan 8.250 nan 0.000 0.517 719 G N 3.058 111.831 108.800 -0.045 0.000 2.350 719 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.298 719 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.298 719 G C -0.200 174.740 174.900 0.066 0.000 1.037 719 G CA 0.215 45.322 45.100 0.012 0.000 1.074 719 G HN 0.525 nan 8.290 nan 0.000 0.511 720 H N 1.378 120.447 119.070 -0.001 0.000 3.004 720 H HA 0.117 4.673 4.556 -0.001 0.000 0.316 720 H C -0.343 175.039 175.328 0.090 0.000 1.014 720 H CA -0.671 55.420 56.048 0.073 0.000 1.454 720 H CB 1.286 31.086 29.762 0.062 0.000 1.472 720 H HN 0.218 nan 8.280 nan 0.000 0.571 721 P HA -0.175 nan 4.420 nan 0.000 0.217 721 P C 1.184 178.616 177.300 0.220 0.000 1.148 721 P CA 1.644 64.824 63.100 0.133 0.000 0.828 721 P CB 0.021 31.717 31.700 -0.007 0.000 0.783 722 A N 0.544 123.640 122.820 0.460 0.000 1.940 722 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 722 A C 2.386 180.041 177.584 0.119 0.000 1.176 722 A CA 1.414 53.598 52.037 0.245 0.000 0.631 722 A CB -1.627 17.479 19.000 0.177 0.000 0.814 722 A HN 0.163 nan 8.150 nan 0.000 0.446 723 L N -0.272 121.023 121.223 0.120 0.000 2.261 723 L HA -0.125 4.215 4.340 -0.001 0.000 0.216 723 L C 1.935 178.833 176.870 0.046 0.000 1.114 723 L CA 1.643 56.518 54.840 0.058 0.000 0.777 723 L CB -0.585 41.508 42.059 0.056 0.000 0.910 723 L HN 0.675 nan 8.230 nan 0.000 0.440 724 T N -5.405 109.181 114.554 0.055 0.000 3.200 724 T HA 0.355 4.705 4.350 -0.001 0.000 0.284 724 T C 0.430 175.144 174.700 0.024 0.000 1.009 724 T CA -0.317 61.803 62.100 0.033 0.000 0.907 724 T CB 0.259 69.143 68.868 0.028 0.000 1.120 724 T HN -0.051 nan 8.240 nan 0.000 0.534 725 M N 1.692 121.309 119.600 0.029 0.000 2.154 725 M HA 0.414 4.894 4.480 -0.001 0.000 0.251 725 M C -0.274 176.031 176.300 0.010 0.000 1.200 725 M CA -0.636 54.674 55.300 0.017 0.000 0.967 725 M CB 0.310 32.922 32.600 0.021 0.000 1.362 725 M HN 0.026 nan 8.290 nan 0.000 0.522 726 D N 1.017 121.419 120.400 0.003 0.000 2.400 726 D HA 0.128 4.768 4.640 -0.001 0.000 0.238 726 D C -2.369 173.931 176.300 0.001 0.000 1.157 726 D CA -0.422 53.579 54.000 0.001 0.000 0.889 726 D CB -0.243 40.555 40.800 -0.003 0.000 1.199 726 D HN 0.162 nan 8.370 nan 0.000 0.436 727 P HA 0.044 nan 4.420 nan 0.000 0.263 727 P C 0.631 177.929 177.300 -0.003 0.000 1.247 727 P CA 0.055 63.154 63.100 -0.001 0.000 0.876 727 P CB 0.219 31.919 31.700 0.001 0.000 0.928 728 I N 2.725 123.288 120.570 -0.010 0.000 2.335 728 I HA -0.265 3.904 4.170 -0.001 0.000 0.251 728 I C 1.421 177.530 176.117 -0.013 0.000 1.129 728 I CA 1.547 62.837 61.300 -0.016 0.000 1.402 728 I CB 0.112 38.093 38.000 -0.032 0.000 1.069 728 I HN 0.217 nan 8.210 nan 0.000 0.424 729 M N 0.053 119.642 119.600 -0.019 0.000 2.279 729 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 729 M C 2.231 178.560 176.300 0.048 0.000 1.062 729 M CA 1.511 56.804 55.300 -0.012 0.000 1.099 729 M CB -1.372 31.209 32.600 -0.031 0.000 1.394 729 M HN 0.212 nan 8.290 nan 0.000 0.426 730 R N 0.337 120.857 120.500 0.033 0.000 2.159 730 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 730 R C 2.047 178.375 176.300 0.047 0.000 1.131 730 R CA 1.704 57.827 56.100 0.038 0.000 0.982 730 R CB -0.438 29.873 30.300 0.019 0.000 0.868 730 R HN 0.502 nan 8.270 nan 0.000 0.453 731 S N -0.604 115.125 115.700 0.048 0.000 2.660 731 S HA -0.066 4.404 4.470 -0.001 0.000 0.223 731 S C 0.204 174.854 174.600 0.083 0.000 0.963 731 S CA -0.156 58.071 58.200 0.046 0.000 0.932 731 S CB -0.234 62.980 63.200 0.025 0.000 0.775 731 S HN 0.315 nan 8.310 nan 0.000 0.531 732 H N 2.055 121.117 119.070 -0.013 0.000 2.640 732 H HA 0.466 5.021 4.556 -0.000 0.000 0.297 732 H C -0.750 174.578 175.328 0.001 0.000 1.073 732 H CA -0.058 55.984 56.048 -0.009 0.000 1.305 732 H CB 0.396 30.150 29.762 -0.013 0.000 1.404 732 H HN 0.047 nan 8.280 nan 0.000 0.459 733 T N 4.717 119.128 114.554 -0.237 0.000 2.744 733 T HA 0.216 4.565 4.350 -0.001 0.000 0.291 733 T C -0.031 174.470 174.700 -0.332 0.000 0.957 733 T CA -0.821 61.134 62.100 -0.240 0.000 1.002 733 T CB 0.567 69.372 68.868 -0.106 0.000 0.919 733 T HN 0.696 nan 8.240 nan 0.000 0.468 734 S N 3.894 119.417 115.700 -0.294 0.000 2.558 734 S HA 0.030 4.499 4.470 -0.001 0.000 0.293 734 S C 1.004 175.551 174.600 -0.089 0.000 1.292 734 S CA -0.619 57.472 58.200 -0.181 0.000 1.063 734 S CB 0.156 63.293 63.200 -0.105 0.000 0.831 734 S HN 0.777 nan 8.310 nan 0.000 0.499 735 R N 1.318 121.794 120.500 -0.041 0.000 2.811 735 R HA 0.509 4.849 4.340 -0.001 0.000 0.265 735 R C 0.541 176.839 176.300 -0.004 0.000 1.026 735 R CA -0.028 56.069 56.100 -0.006 0.000 1.142 735 R CB -0.249 30.064 30.300 0.023 0.000 1.027 735 R HN 0.878 nan 8.270 nan 0.000 0.465 736 G N 0.000 108.804 108.800 0.007 0.000 5.446 736 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 736 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 736 G CA 0.000 45.106 45.100 0.010 0.000 0.502 736 G HN 0.000 nan 8.290 nan 0.000 0.925