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 2vvz_1_B DATA FIRST_RESID 322 DATA SEQUENCE ALTEKTDIFE SGRNGKPNKD GIKSYRIPAL LKTDKGTLIA GADERRLHSS DATA SEQUENCE DWGDIGMVIR RSEDNGKTWG DRVTITNLRD NPKASDPSIG SPVNIDMVLV DATA SEQUENCE QDPETKRIFS IYDMFPEGKG IFGMSSQKEE AYKKIDGKTY QILYREGEKG DATA SEQUENCE AYTIRENGTV YTPDGKATDY RVVVDPVKPA YSDKGDLYKG NQLLGNIYFT DATA SEQUENCE TNKTSPFRIA KDSYLWMSYS DDDGKTWSAP QDITPMVKAD WMKFLGVGPG DATA SEQUENCE TGIVLRNGPH KGRILIPVYT TNNVSHLNGS QSSRIIYSDD HGKTWHAGEA DATA SEQUENCE VNDNRQVDGQ KIHSSTMNNR RAQNTESTVV QLNNGDVKLF MRGLTGDLQV DATA SEQUENCE ATSKDGGVTW EKDIKRYPQV KDVYVQMSAI HTMHEGKEYI ILSNAGGPKR DATA SEQUENCE ENGMVHLARV EENGELTWLK HNPIQKGEFA YNSLQELGNG EYGILYEHTE DATA SEQUENCE KGQNAYTLSF RKFNWDFLSK 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 322 A HA 0.000 nan 4.320 nan 0.000 0.244 322 A C 0.000 177.692 177.584 0.180 0.000 1.274 322 A CA 0.000 52.135 52.037 0.163 0.000 0.836 322 A CB 0.000 19.067 19.000 0.112 0.000 0.831 323 L N 0.555 121.767 121.223 -0.018 0.000 2.588 323 L HA 0.679 5.019 4.340 0.000 0.000 0.263 323 L C 0.122 176.830 176.870 -0.271 0.000 0.935 323 L CA 0.630 55.254 54.840 -0.359 0.000 0.891 323 L CB 1.844 43.510 42.059 -0.655 0.000 1.318 323 L HN 1.390 nan 8.230 nan 0.000 0.409 324 T N 0.545 114.933 114.554 -0.277 0.000 2.898 324 T HA 0.436 4.786 4.350 0.000 0.000 0.301 324 T C 0.321 174.922 174.700 -0.164 0.000 1.049 324 T CA -0.527 61.484 62.100 -0.149 0.000 1.095 324 T CB 0.717 69.539 68.868 -0.076 0.000 0.976 324 T HN 0.714 nan 8.240 nan 0.000 0.539 325 E N 0.640 120.793 120.200 -0.079 0.000 2.392 325 E HA 0.111 4.461 4.350 0.000 0.000 0.256 325 E C 0.259 176.842 176.600 -0.029 0.000 1.145 325 E CA -0.651 55.716 56.400 -0.055 0.000 0.929 325 E CB 0.564 30.251 29.700 -0.022 0.000 0.998 325 E HN 0.549 nan 8.360 nan 0.000 0.442 326 K N 1.164 121.557 120.400 -0.012 0.000 2.466 326 K HA -0.022 4.298 4.320 0.000 0.000 0.278 326 K C -1.010 175.603 176.600 0.021 0.000 1.048 326 K CA 0.707 56.999 56.287 0.010 0.000 1.088 326 K CB 0.174 32.684 32.500 0.017 0.000 0.884 326 K HN 0.319 nan 8.250 nan 0.000 0.478 327 T N 4.726 119.299 114.554 0.032 0.000 2.934 327 T HA 0.144 4.494 4.350 0.000 0.000 0.328 327 T C -1.308 173.376 174.700 -0.026 0.000 1.068 327 T CA -0.958 61.178 62.100 0.061 0.000 1.018 327 T CB 0.788 69.776 68.868 0.199 0.000 1.009 327 T HN 0.476 nan 8.240 nan 0.000 0.471 328 D N 2.646 123.002 120.400 -0.073 0.000 2.351 328 D HA 0.291 4.931 4.640 0.000 0.000 0.251 328 D C 0.833 176.955 176.300 -0.297 0.000 1.137 328 D CA -0.411 53.496 54.000 -0.156 0.000 0.879 328 D CB 1.558 42.301 40.800 -0.094 0.000 1.181 328 D HN 0.291 nan 8.370 nan 0.000 0.448 329 I N 0.426 120.705 120.570 -0.485 0.000 3.194 329 I HA 0.065 4.235 4.170 0.000 0.000 0.271 329 I C 0.475 176.012 176.117 -0.967 0.000 1.150 329 I CA 0.386 61.157 61.300 -0.882 0.000 1.440 329 I CB 0.186 37.369 38.000 -1.361 0.000 1.276 329 I HN 0.155 nan 8.210 nan 0.000 0.457 330 F N 2.003 121.663 119.950 -0.484 0.000 2.359 330 F HA 0.378 4.906 4.527 0.000 0.000 0.370 330 F C 0.060 175.541 175.800 -0.531 0.000 1.077 330 F CA -0.990 56.541 58.000 -0.783 0.000 1.136 330 F CB 0.094 38.487 39.000 -1.012 0.000 1.387 330 F HN -0.100 nan 8.300 nan 0.000 0.468 331 E N 1.577 121.663 120.200 -0.190 0.000 2.257 331 E HA 0.279 4.629 4.350 0.000 0.000 0.278 331 E C 0.250 176.991 176.600 0.235 0.000 1.049 331 E CA -0.398 56.016 56.400 0.022 0.000 0.876 331 E CB 0.742 30.444 29.700 0.002 0.000 1.035 331 E HN 0.557 nan 8.360 nan 0.000 0.419 332 S N 1.973 117.805 115.700 0.219 0.000 2.652 332 S HA 0.543 5.013 4.470 0.000 0.000 0.267 332 S C 0.734 175.385 174.600 0.086 0.000 1.201 332 S CA -0.666 57.648 58.200 0.188 0.000 0.996 332 S CB 1.014 64.278 63.200 0.107 0.000 1.054 332 S HN 0.500 nan 8.310 nan 0.000 0.561 333 G N -0.690 108.127 108.800 0.028 0.000 2.532 333 G HA2 0.606 4.566 3.960 0.000 0.000 0.291 333 G HA3 0.606 4.566 3.960 0.000 0.000 0.291 333 G C -0.858 174.036 174.900 -0.009 0.000 1.349 333 G CA -1.173 43.931 45.100 0.005 0.000 1.038 333 G HN 0.692 nan 8.290 nan 0.000 0.518 334 R N -0.796 119.696 120.500 -0.013 0.000 2.561 334 R HA 0.312 4.652 4.340 0.000 0.000 0.297 334 R C -0.374 175.911 176.300 -0.025 0.000 0.969 334 R CA -0.621 55.468 56.100 -0.018 0.000 0.879 334 R CB 1.335 31.631 30.300 -0.008 0.000 1.178 334 R HN 0.718 nan 8.270 nan 0.000 0.445 335 N N 1.110 119.790 118.700 -0.033 0.000 2.714 335 N HA -0.247 4.493 4.740 0.000 0.000 0.250 335 N C 0.554 176.044 175.510 -0.034 0.000 1.117 335 N CA 0.917 53.947 53.050 -0.033 0.000 0.719 335 N CB -0.703 37.770 38.487 -0.024 0.000 1.081 335 N HN 1.096 nan 8.380 nan 0.000 0.557 336 G N -1.440 107.335 108.800 -0.041 0.000 2.157 336 G HA2 -0.343 3.617 3.960 0.000 0.000 0.239 336 G HA3 -0.343 3.617 3.960 0.000 0.000 0.239 336 G C -0.061 174.820 174.900 -0.032 0.000 0.982 336 G CA 0.400 45.477 45.100 -0.039 0.000 0.650 336 G HN 0.450 nan 8.290 nan 0.000 0.527 337 K N 1.121 121.504 120.400 -0.028 0.000 2.174 337 K HA 0.496 4.816 4.320 0.000 0.000 0.275 337 K C -2.482 174.103 176.600 -0.025 0.000 1.015 337 K CA -1.855 54.419 56.287 -0.022 0.000 0.933 337 K CB 1.322 33.813 32.500 -0.014 0.000 1.025 337 K HN 0.036 nan 8.250 nan 0.000 0.463 338 P HA -0.004 nan 4.420 nan 0.000 0.275 338 P C -0.810 176.484 177.300 -0.009 0.000 1.228 338 P CA -0.512 62.572 63.100 -0.027 0.000 0.786 338 P CB 0.487 32.169 31.700 -0.030 0.000 0.927 339 N N 2.618 121.320 118.700 0.004 0.000 2.294 339 N HA 0.021 4.761 4.740 0.000 0.000 0.275 339 N C 0.900 176.426 175.510 0.026 0.000 1.291 339 N CA 0.167 53.233 53.050 0.027 0.000 0.933 339 N CB -0.171 38.355 38.487 0.066 0.000 1.096 339 N HN 0.217 nan 8.380 nan 0.000 0.525 340 K N -0.892 119.528 120.400 0.034 0.000 2.089 340 K HA -0.147 4.174 4.320 0.000 0.000 0.210 340 K C 0.140 176.757 176.600 0.028 0.000 1.048 340 K CA 1.934 58.238 56.287 0.029 0.000 0.926 340 K CB -0.207 32.312 32.500 0.031 0.000 0.714 340 K HN 0.564 nan 8.250 nan 0.000 0.448 341 D N -0.889 119.536 120.400 0.041 0.000 2.427 341 D HA 0.087 4.728 4.640 0.000 0.000 0.224 341 D C 0.625 176.934 176.300 0.015 0.000 1.157 341 D CA 0.413 54.434 54.000 0.036 0.000 0.828 341 D CB 0.851 41.688 40.800 0.062 0.000 0.974 341 D HN 0.399 nan 8.370 nan 0.000 0.498 342 G N 1.694 110.496 108.800 0.003 0.000 2.168 342 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 342 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 342 G C 0.296 175.166 174.900 -0.051 0.000 0.997 342 G CA -0.162 44.926 45.100 -0.020 0.000 0.708 342 G HN 0.405 nan 8.290 nan 0.000 0.520 343 I N 0.421 120.958 120.570 -0.056 0.000 2.306 343 I HA 0.249 4.419 4.170 0.000 0.000 0.288 343 I C 1.538 177.566 176.117 -0.149 0.000 1.036 343 I CA -0.723 60.489 61.300 -0.148 0.000 1.221 343 I CB 1.220 39.090 38.000 -0.216 0.000 1.385 343 I HN -0.026 nan 8.210 nan 0.000 0.472 344 K N 2.441 122.743 120.400 -0.163 0.000 2.026 344 K HA -0.051 4.269 4.320 0.000 0.000 0.208 344 K C 0.876 177.387 176.600 -0.148 0.000 1.048 344 K CA 1.018 57.229 56.287 -0.128 0.000 0.929 344 K CB 0.094 32.522 32.500 -0.119 0.000 0.713 344 K HN 0.559 nan 8.250 nan 0.000 0.439 345 S N -0.771 114.776 115.700 -0.255 0.000 2.548 345 S HA 0.485 4.955 4.470 0.000 0.000 0.286 345 S C -1.713 172.649 174.600 -0.397 0.000 1.098 345 S CA -0.823 57.237 58.200 -0.232 0.000 0.930 345 S CB 0.731 63.806 63.200 -0.208 0.000 1.070 345 S HN 0.091 nan 8.310 nan 0.000 0.480 346 Y N 1.470 121.732 120.300 -0.064 0.000 2.499 346 Y HA 0.800 5.350 4.550 0.000 0.000 0.347 346 Y C 0.248 176.116 175.900 -0.053 0.000 0.987 346 Y CA -0.718 57.336 58.100 -0.078 0.000 1.044 346 Y CB 2.141 40.586 38.460 -0.024 0.000 1.245 346 Y HN 0.814 nan 8.280 nan 0.000 0.461 347 R N 1.790 122.323 120.500 0.055 0.000 2.692 347 R HA 0.647 4.987 4.340 0.000 0.000 0.269 347 R C -1.914 174.327 176.300 -0.098 0.000 1.030 347 R CA -0.619 55.468 56.100 -0.022 0.000 0.882 347 R CB 1.060 31.314 30.300 -0.075 0.000 1.250 347 R HN 0.495 nan 8.270 nan 0.000 0.465 348 I N 0.997 121.476 120.570 -0.153 0.000 7.505 348 I HA -0.145 4.026 4.170 0.000 0.000 0.126 348 I C -2.386 173.722 176.117 -0.014 0.000 1.838 348 I CA -0.118 61.135 61.300 -0.078 0.000 2.047 348 I CB -1.621 36.349 38.000 -0.050 0.000 3.658 348 I HN 0.556 nan 8.210 nan 0.000 0.172 349 P HA 0.494 nan 4.420 nan 0.000 0.275 349 P C -0.401 176.959 177.300 0.099 0.000 1.227 349 P CA -0.084 63.048 63.100 0.053 0.000 0.781 349 P CB 1.945 33.693 31.700 0.080 0.000 0.906 350 A N 3.380 126.261 122.820 0.101 0.000 2.408 350 A HA 0.601 4.921 4.320 0.000 0.000 0.295 350 A C -1.580 176.107 177.584 0.172 0.000 1.040 350 A CA -0.623 51.497 52.037 0.139 0.000 0.707 350 A CB 0.969 20.043 19.000 0.124 0.000 1.235 350 A HN 0.503 nan 8.150 nan 0.000 0.418 351 L N 2.877 124.221 121.223 0.202 0.000 2.356 351 L HA 0.852 5.192 4.340 0.000 0.000 0.277 351 L C -1.513 175.500 176.870 0.237 0.000 0.996 351 L CA -0.636 54.344 54.840 0.234 0.000 0.822 351 L CB 1.636 43.862 42.059 0.280 0.000 1.256 351 L HN 0.705 nan 8.230 nan 0.000 0.413 352 L N 4.604 125.971 121.223 0.239 0.000 2.410 352 L HA 0.580 4.920 4.340 0.000 0.000 0.270 352 L C -0.996 175.997 176.870 0.205 0.000 0.983 352 L CA -0.387 54.589 54.840 0.226 0.000 0.822 352 L CB 1.714 43.914 42.059 0.234 0.000 1.285 352 L HN 0.653 nan 8.230 nan 0.000 0.409 353 K N 2.417 122.928 120.400 0.185 0.000 2.185 353 K HA 0.638 4.958 4.320 0.000 0.000 0.269 353 K C -0.004 176.673 176.600 0.127 0.000 0.987 353 K CA -0.264 56.110 56.287 0.145 0.000 0.865 353 K CB 1.092 33.677 32.500 0.141 0.000 1.090 353 K HN 0.840 nan 8.250 nan 0.000 0.450 354 T N -0.680 113.933 114.554 0.098 0.000 2.902 354 T HA 0.114 4.464 4.350 0.000 0.000 0.287 354 T C 1.056 175.793 174.700 0.061 0.000 1.048 354 T CA 0.011 62.161 62.100 0.083 0.000 0.941 354 T CB 0.509 69.416 68.868 0.065 0.000 1.432 354 T HN 0.686 nan 8.240 nan 0.000 0.586 355 D N -0.220 120.208 120.400 0.046 0.000 2.194 355 D HA -0.076 4.564 4.640 0.000 0.000 0.204 355 D C 1.504 177.816 176.300 0.019 0.000 0.964 355 D CA 0.880 54.900 54.000 0.034 0.000 0.846 355 D CB -0.269 40.547 40.800 0.026 0.000 0.962 355 D HN 0.616 nan 8.370 nan 0.000 0.490 356 K N -0.323 120.084 120.400 0.011 0.000 2.487 356 K HA 0.204 4.524 4.320 0.000 0.000 0.192 356 K C 1.209 177.807 176.600 -0.003 0.000 1.027 356 K CA 0.532 56.819 56.287 -0.001 0.000 1.054 356 K CB 0.397 32.892 32.500 -0.010 0.000 0.824 356 K HN 0.362 nan 8.250 nan 0.000 0.510 357 G N 1.015 109.820 108.800 0.008 0.000 2.213 357 G HA2 -0.251 3.709 3.960 0.000 0.000 0.236 357 G HA3 -0.251 3.709 3.960 0.000 0.000 0.236 357 G C 0.321 175.217 174.900 -0.007 0.000 0.991 357 G CA 0.128 45.230 45.100 0.004 0.000 0.629 357 G HN 0.300 nan 8.290 nan 0.000 0.517 358 T N 1.668 116.217 114.554 -0.008 0.000 2.946 358 T HA 0.429 4.779 4.350 0.000 0.000 0.311 358 T C 0.593 175.299 174.700 0.011 0.000 1.063 358 T CA 0.315 62.403 62.100 -0.020 0.000 1.139 358 T CB 1.329 70.197 68.868 -0.001 0.000 0.994 358 T HN 0.375 nan 8.240 nan 0.000 0.547 359 L N 3.136 124.341 121.223 -0.030 0.000 2.295 359 L HA 0.550 4.890 4.340 0.000 0.000 0.285 359 L C -0.138 176.856 176.870 0.207 0.000 1.035 359 L CA -0.693 54.187 54.840 0.065 0.000 0.806 359 L CB 1.073 43.114 42.059 -0.031 0.000 1.214 359 L HN 0.537 nan 8.230 nan 0.000 0.426 360 I N 2.907 123.637 120.570 0.266 0.000 2.378 360 I HA 0.556 4.726 4.170 0.000 0.000 0.291 360 I C -0.072 176.226 176.117 0.302 0.000 0.992 360 I CA -0.394 61.093 61.300 0.311 0.000 1.154 360 I CB 1.931 40.109 38.000 0.296 0.000 1.315 360 I HN 0.601 nan 8.210 nan 0.000 0.448 361 A N 4.704 127.692 122.820 0.280 0.000 2.318 361 A HA 0.854 5.174 4.320 0.000 0.000 0.317 361 A C -0.117 177.651 177.584 0.306 0.000 1.159 361 A CA -0.486 51.676 52.037 0.208 0.000 0.799 361 A CB 1.188 20.147 19.000 -0.067 0.000 1.194 361 A HN 0.816 nan 8.150 nan 0.000 0.479 362 G N 0.248 109.148 108.800 0.166 0.000 2.482 362 G HA2 0.825 4.785 3.960 0.000 0.000 0.317 362 G HA3 0.825 4.785 3.960 0.000 0.000 0.317 362 G C -0.545 174.203 174.900 -0.253 0.000 1.241 362 G CA 0.011 45.096 45.100 -0.026 0.000 0.967 362 G HN 1.682 nan 8.290 nan 0.000 0.482 363 A N 1.219 123.748 122.820 -0.485 0.000 2.609 363 A HA 0.680 5.000 4.320 0.000 0.000 0.291 363 A C -1.469 175.926 177.584 -0.315 0.000 1.096 363 A CA -0.738 50.988 52.037 -0.518 0.000 0.684 363 A CB 1.558 19.897 19.000 -1.101 0.000 1.282 363 A HN 0.516 nan 8.150 nan 0.000 0.412 364 D N 1.268 121.547 120.400 -0.202 0.000 2.339 364 D HA 0.341 4.981 4.640 0.000 0.000 0.256 364 D C -0.113 176.081 176.300 -0.175 0.000 1.214 364 D CA 0.671 54.572 54.000 -0.165 0.000 0.877 364 D CB 0.963 41.682 40.800 -0.135 0.000 1.111 364 D HN 0.502 nan 8.370 nan 0.000 0.478 365 E N 2.849 122.928 120.200 -0.202 0.000 1.892 365 E HA 0.061 4.411 4.350 0.000 0.000 0.271 365 E C -0.372 176.007 176.600 -0.368 0.000 1.146 365 E CA -0.531 55.665 56.400 -0.340 0.000 1.096 365 E CB 0.105 29.711 29.700 -0.156 0.000 1.155 365 E HN 0.244 nan 8.360 nan 0.000 0.458 366 R N 3.109 123.354 120.500 -0.426 0.000 2.612 366 R HA 0.117 4.457 4.340 0.000 0.000 0.273 366 R C 1.242 177.309 176.300 -0.389 0.000 1.376 366 R CA -0.128 55.755 56.100 -0.361 0.000 1.171 366 R CB 0.363 30.473 30.300 -0.318 0.000 1.151 366 R HN 0.399 nan 8.270 nan 0.000 0.560 367 R N 2.055 122.357 120.500 -0.330 0.000 2.081 367 R HA -0.122 4.218 4.340 0.000 0.000 0.235 367 R C 1.185 177.335 176.300 -0.249 0.000 1.131 367 R CA 1.586 57.525 56.100 -0.268 0.000 0.960 367 R CB 0.128 30.317 30.300 -0.185 0.000 0.856 367 R HN 0.466 nan 8.270 nan 0.000 0.436 368 L N -1.466 119.561 121.223 -0.327 0.000 2.408 368 L HA 0.152 4.492 4.340 0.000 0.000 0.215 368 L C 0.056 176.795 176.870 -0.220 0.000 1.081 368 L CA 0.039 54.721 54.840 -0.263 0.000 0.840 368 L CB 0.269 42.197 42.059 -0.217 0.000 1.002 368 L HN 0.393 nan 8.230 nan 0.000 0.468 369 H N -5.068 113.903 119.070 -0.165 0.000 2.883 369 H HA 0.244 4.800 4.556 0.000 0.000 0.277 369 H C -0.045 175.130 175.328 -0.255 0.000 1.451 369 H CA -0.626 55.303 56.048 -0.198 0.000 1.157 369 H CB 0.425 30.065 29.762 -0.203 0.000 1.851 369 H HN -0.185 nan 8.280 nan 0.000 0.566 370 S N -0.401 115.264 115.700 -0.059 0.000 2.573 370 S HA 0.368 4.838 4.470 0.000 0.000 0.244 370 S C -0.295 174.181 174.600 -0.206 0.000 0.984 370 S CA -0.317 57.791 58.200 -0.154 0.000 1.001 370 S CB -0.493 62.600 63.200 -0.179 0.000 0.788 370 S HN 0.514 nan 8.310 nan 0.000 0.456 371 S N 1.811 117.370 115.700 -0.236 0.000 2.669 371 S HA 0.306 4.776 4.470 0.000 0.000 0.270 371 S C 0.031 174.258 174.600 -0.622 0.000 1.225 371 S CA -0.629 57.158 58.200 -0.690 0.000 0.991 371 S CB 0.589 62.847 63.200 -1.570 0.000 0.987 371 S HN 0.401 nan 8.310 nan 0.000 0.552 372 D N 1.721 121.806 120.400 -0.525 0.000 2.841 372 D HA 0.247 4.887 4.640 0.000 0.000 0.244 372 D C -0.234 176.169 176.300 0.171 0.000 1.228 372 D CA 0.209 54.172 54.000 -0.061 0.000 0.872 372 D CB -0.563 40.357 40.800 0.199 0.000 1.082 372 D HN 0.492 nan 8.370 nan 0.000 0.457 373 W N -1.626 119.731 121.300 0.095 0.000 2.799 373 W HA 0.554 5.214 4.660 0.000 0.000 0.416 373 W C 0.219 176.798 176.519 0.100 0.000 1.108 373 W CA -0.520 56.864 57.345 0.065 0.000 1.169 373 W CB 0.238 29.724 29.460 0.043 0.000 1.471 373 W HN 0.154 nan 8.180 nan 0.000 0.586 374 G N 0.603 109.657 108.800 0.423 0.000 2.451 374 G HA2 0.030 3.991 3.960 0.000 0.000 0.208 374 G HA3 0.030 3.991 3.960 0.000 0.000 0.208 374 G C -1.362 173.560 174.900 0.037 0.000 1.248 374 G CA -0.086 45.130 45.100 0.194 0.000 0.989 374 G HN 1.111 nan 8.290 nan 0.000 0.559 375 D N 0.940 121.299 120.400 -0.069 0.000 2.365 375 D HA 0.555 5.195 4.640 0.000 0.000 0.237 375 D C 0.334 176.565 176.300 -0.115 0.000 1.190 375 D CA -0.160 53.803 54.000 -0.062 0.000 0.867 375 D CB -0.140 40.623 40.800 -0.062 0.000 1.050 375 D HN 0.578 nan 8.370 nan 0.000 0.491 376 I N 2.836 123.360 120.570 -0.075 0.000 2.498 376 I HA 0.521 4.691 4.170 0.000 0.000 0.290 376 I C 0.758 176.826 176.117 -0.081 0.000 1.032 376 I CA -1.118 60.118 61.300 -0.106 0.000 1.073 376 I CB 2.350 40.295 38.000 -0.092 0.000 1.251 376 I HN 0.364 nan 8.210 nan 0.000 0.426 377 G N 6.386 115.122 108.800 -0.107 0.000 2.417 377 G HA2 0.626 4.586 3.960 0.000 0.000 0.334 377 G HA3 0.626 4.586 3.960 0.000 0.000 0.334 377 G C -0.459 174.348 174.900 -0.155 0.000 1.150 377 G CA -0.721 44.322 45.100 -0.096 0.000 0.923 377 G HN 0.338 nan 8.290 nan 0.000 0.485 378 M N 2.170 121.642 119.600 -0.214 0.000 2.084 378 M HA 0.319 4.799 4.480 0.000 0.000 0.351 378 M C -0.046 176.102 176.300 -0.253 0.000 1.240 378 M CA -0.587 54.519 55.300 -0.323 0.000 1.083 378 M CB 0.394 32.636 32.600 -0.597 0.000 1.593 378 M HN 0.364 nan 8.290 nan 0.000 0.463 379 V N 2.854 122.641 119.914 -0.210 0.000 2.823 379 V HA 0.908 5.028 4.120 0.000 0.000 0.312 379 V C -0.710 175.347 176.094 -0.063 0.000 1.072 379 V CA -1.069 61.170 62.300 -0.102 0.000 0.937 379 V CB 2.134 33.969 31.823 0.019 0.000 1.013 379 V HN 0.784 nan 8.190 nan 0.000 0.430 380 I N 0.269 120.894 120.570 0.092 0.000 2.934 380 I HA 0.865 5.035 4.170 0.000 0.000 0.306 380 I C -0.386 175.920 176.117 0.314 0.000 1.110 380 I CA -1.102 60.344 61.300 0.243 0.000 1.019 380 I CB 2.381 40.526 38.000 0.241 0.000 1.227 380 I HN 0.687 nan 8.210 nan 0.000 0.434 381 R N 2.665 123.351 120.500 0.310 0.000 2.628 381 R HA 0.660 5.000 4.340 0.000 0.000 0.288 381 R C -0.988 175.505 176.300 0.322 0.000 0.980 381 R CA -0.940 55.272 56.100 0.186 0.000 0.891 381 R CB 2.624 32.854 30.300 -0.117 0.000 1.188 381 R HN 0.639 nan 8.270 nan 0.000 0.450 382 R N 0.428 121.113 120.500 0.309 0.000 2.668 382 R HA 0.475 4.815 4.340 0.000 0.000 0.279 382 R C -0.601 175.777 176.300 0.129 0.000 0.976 382 R CA -0.628 55.626 56.100 0.257 0.000 0.978 382 R CB 2.109 32.494 30.300 0.142 0.000 1.133 382 R HN 0.388 nan 8.270 nan 0.000 0.484 383 S N 0.555 116.166 115.700 -0.149 0.000 2.677 383 S HA 0.196 4.666 4.470 0.000 0.000 0.283 383 S C -0.432 173.971 174.600 -0.329 0.000 1.159 383 S CA -0.653 57.231 58.200 -0.526 0.000 1.001 383 S CB 1.242 63.559 63.200 -1.471 0.000 1.032 383 S HN 0.627 nan 8.310 nan 0.000 0.487 384 E N 2.133 122.187 120.200 -0.245 0.000 2.340 384 E HA 0.065 4.415 4.350 0.000 0.000 0.194 384 E C 0.100 176.596 176.600 -0.173 0.000 0.996 384 E CA 0.450 56.754 56.400 -0.160 0.000 0.869 384 E CB 0.062 29.699 29.700 -0.106 0.000 0.835 384 E HN 0.756 nan 8.360 nan 0.000 0.493 385 D N -0.206 120.050 120.400 -0.239 0.000 2.894 385 D HA 0.102 4.742 4.640 0.000 0.000 0.248 385 D C -0.168 176.001 176.300 -0.218 0.000 1.291 385 D CA -0.533 53.349 54.000 -0.197 0.000 0.840 385 D CB -0.328 40.366 40.800 -0.177 0.000 1.044 385 D HN -0.116 nan 8.370 nan 0.000 0.484 386 N N 0.913 119.479 118.700 -0.223 0.000 2.714 386 N HA -0.217 4.523 4.740 0.000 0.000 0.250 386 N C 1.052 176.432 175.510 -0.216 0.000 1.117 386 N CA 1.409 54.362 53.050 -0.162 0.000 0.719 386 N CB -1.311 37.148 38.487 -0.047 0.000 1.081 386 N HN 0.802 nan 8.380 nan 0.000 0.557 387 G N -0.914 107.538 108.800 -0.579 0.000 2.137 387 G HA2 -0.367 3.593 3.960 0.000 0.000 0.237 387 G HA3 -0.367 3.593 3.960 0.000 0.000 0.237 387 G C 0.662 175.373 174.900 -0.315 0.000 1.002 387 G CA 0.992 45.626 45.100 -0.777 0.000 0.702 387 G HN 0.741 nan 8.290 nan 0.000 0.515 388 K N 0.009 120.228 120.400 -0.303 0.000 1.975 388 K HA 0.100 4.420 4.320 0.000 0.000 0.210 388 K C 1.464 177.986 176.600 -0.130 0.000 1.041 388 K CA 1.802 58.015 56.287 -0.124 0.000 0.942 388 K CB -0.091 32.346 32.500 -0.105 0.000 0.729 388 K HN 0.683 nan 8.250 nan 0.000 0.439 389 T N -2.333 112.072 114.554 -0.249 0.000 2.924 389 T HA 0.490 4.840 4.350 0.000 0.000 0.291 389 T C -1.204 173.295 174.700 -0.335 0.000 1.045 389 T CA -0.964 61.049 62.100 -0.145 0.000 1.015 389 T CB 1.125 69.959 68.868 -0.057 0.000 1.103 389 T HN 0.244 nan 8.240 nan 0.000 0.496 390 W N 0.067 121.307 121.300 -0.101 0.000 2.736 390 W HA 0.673 5.334 4.660 0.000 0.000 0.335 390 W C 0.734 177.197 176.519 -0.093 0.000 1.059 390 W CA -0.696 56.576 57.345 -0.123 0.000 1.226 390 W CB 1.626 30.971 29.460 -0.193 0.000 1.416 390 W HN 1.181 nan 8.180 nan 0.000 0.505 391 G N 1.107 109.995 108.800 0.147 0.000 2.611 391 G HA2 0.154 4.115 3.960 0.000 0.000 0.273 391 G HA3 0.154 4.115 3.960 0.000 0.000 0.273 391 G C -0.066 174.885 174.900 0.086 0.000 1.305 391 G CA -0.446 44.707 45.100 0.089 0.000 1.010 391 G HN 0.411 nan 8.290 nan 0.000 0.509 392 D N -0.646 119.794 120.400 0.066 0.000 2.398 392 D HA 0.199 4.839 4.640 0.000 0.000 0.264 392 D C 0.579 176.927 176.300 0.080 0.000 1.263 392 D CA 0.095 54.129 54.000 0.056 0.000 1.037 392 D CB 0.458 41.289 40.800 0.051 0.000 1.101 392 D HN 0.178 nan 8.370 nan 0.000 0.551 393 R N -0.103 120.448 120.500 0.086 0.000 2.265 393 R HA 0.399 4.739 4.340 0.000 0.000 0.314 393 R C -0.800 175.574 176.300 0.124 0.000 1.053 393 R CA -0.466 55.710 56.100 0.127 0.000 0.931 393 R CB 0.908 31.291 30.300 0.139 0.000 1.024 393 R HN 0.068 nan 8.270 nan 0.000 0.457 394 V N 3.351 123.356 119.914 0.152 0.000 2.350 394 V HA 0.143 4.263 4.120 0.000 0.000 0.285 394 V C 0.043 176.205 176.094 0.113 0.000 1.014 394 V CA -0.742 61.652 62.300 0.157 0.000 0.831 394 V CB 1.693 33.660 31.823 0.240 0.000 1.000 394 V HN 0.778 nan 8.190 nan 0.000 0.433 395 T N 6.473 121.071 114.554 0.074 0.000 2.779 395 T HA 0.337 4.687 4.350 0.000 0.000 0.296 395 T C 1.424 176.125 174.700 0.002 0.000 0.938 395 T CA 0.059 62.170 62.100 0.017 0.000 1.119 395 T CB 0.859 69.739 68.868 0.021 0.000 0.891 395 T HN 0.416 nan 8.240 nan 0.000 0.526 396 I N 2.000 122.483 120.570 -0.145 0.000 2.235 396 I HA -0.009 4.162 4.170 0.000 0.000 0.241 396 I C 0.893 177.040 176.117 0.050 0.000 1.085 396 I CA 0.901 62.061 61.300 -0.232 0.000 1.378 396 I CB 0.173 37.770 38.000 -0.671 0.000 1.076 396 I HN 0.534 nan 8.210 nan 0.000 0.415 397 T N 0.722 115.265 114.554 -0.019 0.000 3.105 397 T HA 0.303 4.653 4.350 0.000 0.000 0.321 397 T C -0.958 173.779 174.700 0.062 0.000 1.135 397 T CA -0.619 61.562 62.100 0.136 0.000 1.053 397 T CB 1.934 70.922 68.868 0.201 0.000 1.133 397 T HN 0.001 nan 8.240 nan 0.000 0.463 398 N N 2.939 121.715 118.700 0.127 0.000 2.571 398 N HA 0.319 5.059 4.740 0.000 0.000 0.286 398 N C -1.134 174.466 175.510 0.151 0.000 1.138 398 N CA -0.457 52.649 53.050 0.093 0.000 0.859 398 N CB 1.026 39.539 38.487 0.044 0.000 1.414 398 N HN 0.550 nan 8.380 nan 0.000 0.529 399 L N 3.267 124.594 121.223 0.174 0.000 2.380 399 L HA 0.370 4.710 4.340 0.000 0.000 0.273 399 L C 1.440 178.436 176.870 0.211 0.000 1.138 399 L CA -0.730 54.250 54.840 0.234 0.000 0.832 399 L CB 0.462 42.673 42.059 0.253 0.000 1.124 399 L HN 0.398 nan 8.230 nan 0.000 0.454 400 R N 1.635 122.282 120.500 0.245 0.000 2.734 400 R HA 0.101 4.441 4.340 0.000 0.000 0.266 400 R C -0.468 175.991 176.300 0.264 0.000 1.044 400 R CA -0.731 55.503 56.100 0.225 0.000 1.128 400 R CB 0.205 30.644 30.300 0.232 0.000 1.010 400 R HN 0.655 nan 8.270 nan 0.000 0.461 401 D N 1.322 121.805 120.400 0.138 0.000 2.371 401 D HA -0.079 4.561 4.640 0.000 0.000 0.242 401 D C -0.561 175.631 176.300 -0.180 0.000 1.218 401 D CA -0.499 53.517 54.000 0.026 0.000 0.945 401 D CB 0.386 41.175 40.800 -0.018 0.000 1.137 401 D HN 0.545 nan 8.370 nan 0.000 0.464 402 N N 0.691 119.092 118.700 -0.499 0.000 2.406 402 N HA 0.119 4.859 4.740 0.000 0.000 0.251 402 N C -1.707 173.559 175.510 -0.406 0.000 1.069 402 N CA -1.984 50.488 53.050 -0.962 0.000 0.947 402 N CB 1.014 38.937 38.487 -0.940 0.000 1.111 402 N HN 0.172 nan 8.380 nan 0.000 0.497 403 P HA -0.023 nan 4.420 nan 0.000 0.233 403 P C 0.337 177.573 177.300 -0.108 0.000 1.167 403 P CA 0.788 63.815 63.100 -0.123 0.000 0.770 403 P CB 0.540 32.210 31.700 -0.050 0.000 0.837 404 K N -0.410 119.903 120.400 -0.146 0.000 2.361 404 K HA 0.243 4.563 4.320 0.000 0.000 0.194 404 K C 1.001 177.546 176.600 -0.092 0.000 1.032 404 K CA -0.140 56.092 56.287 -0.092 0.000 1.048 404 K CB 0.140 32.604 32.500 -0.060 0.000 0.842 404 K HN 0.026 nan 8.250 nan 0.000 0.526 405 A N 2.043 124.784 122.820 -0.132 0.000 2.524 405 A HA 0.064 4.385 4.320 0.000 0.000 0.250 405 A C 1.282 178.830 177.584 -0.060 0.000 1.078 405 A CA 0.292 52.271 52.037 -0.098 0.000 0.761 405 A CB 0.129 19.058 19.000 -0.118 0.000 1.012 405 A HN 0.305 nan 8.150 nan 0.000 0.500 406 S N 0.994 116.668 115.700 -0.044 0.000 2.547 406 S HA -0.016 4.454 4.470 0.000 0.000 0.235 406 S C 0.226 174.812 174.600 -0.023 0.000 0.980 406 S CA 0.954 59.136 58.200 -0.031 0.000 0.941 406 S CB -0.090 63.094 63.200 -0.027 0.000 0.763 406 S HN 0.739 nan 8.310 nan 0.000 0.532 407 D N 0.844 121.230 120.400 -0.022 0.000 2.386 407 D HA 0.402 5.042 4.640 0.000 0.000 0.247 407 D C -2.491 173.815 176.300 0.010 0.000 1.336 407 D CA -2.180 51.818 54.000 -0.004 0.000 0.976 407 D CB 1.932 42.729 40.800 -0.005 0.000 1.257 407 D HN -0.140 nan 8.370 nan 0.000 0.570 408 P HA -0.126 nan 4.420 nan 0.000 0.219 408 P C 1.407 178.754 177.300 0.080 0.000 1.146 408 P CA 0.989 64.103 63.100 0.022 0.000 0.808 408 P CB 0.258 31.965 31.700 0.011 0.000 0.779 409 S N 0.216 115.999 115.700 0.139 0.000 2.399 409 S HA -0.143 4.327 4.470 0.000 0.000 0.231 409 S C 1.594 176.455 174.600 0.436 0.000 1.022 409 S CA 1.354 59.744 58.200 0.316 0.000 0.983 409 S CB -1.379 62.002 63.200 0.302 0.000 0.803 409 S HN 0.360 nan 8.310 nan 0.000 0.480 410 I N -2.169 118.535 120.570 0.223 0.000 3.856 410 I HA 0.599 4.769 4.170 0.000 0.000 0.330 410 I C 0.997 177.149 176.117 0.058 0.000 1.546 410 I CA -0.401 60.978 61.300 0.132 0.000 1.132 410 I CB 0.191 38.136 38.000 -0.090 0.000 1.157 410 I HN 0.185 nan 8.210 nan 0.000 0.440 411 G N 0.695 109.529 108.800 0.056 0.000 3.702 411 G HA2 0.381 4.341 3.960 0.000 0.000 0.288 411 G HA3 0.381 4.341 3.960 0.000 0.000 0.288 411 G C -0.146 174.737 174.900 -0.028 0.000 1.193 411 G CA 0.019 45.112 45.100 -0.012 0.000 0.952 411 G HN 0.340 nan 8.290 nan 0.000 0.544 412 S N -0.072 115.653 115.700 0.042 0.000 2.540 412 S HA 0.701 5.171 4.470 0.000 0.000 0.275 412 S C -3.108 171.574 174.600 0.137 0.000 1.123 412 S CA -1.179 57.066 58.200 0.074 0.000 0.907 412 S CB 2.412 65.651 63.200 0.065 0.000 1.081 412 S HN -0.075 nan 8.310 nan 0.000 0.476 413 P HA 0.226 nan 4.420 nan 0.000 0.269 413 P C -1.198 176.161 177.300 0.099 0.000 1.209 413 P CA -0.294 62.911 63.100 0.174 0.000 0.776 413 P CB 0.488 32.328 31.700 0.233 0.000 0.876 414 V N 3.985 123.944 119.914 0.075 0.000 2.495 414 V HA 0.387 4.507 4.120 0.000 0.000 0.298 414 V C 0.028 176.142 176.094 0.033 0.000 1.031 414 V CA -0.578 61.781 62.300 0.098 0.000 0.871 414 V CB 1.727 33.666 31.823 0.193 0.000 0.988 414 V HN 0.492 nan 8.190 nan 0.000 0.432 415 N N 3.662 122.376 118.700 0.023 0.000 2.319 415 N HA 0.761 5.501 4.740 0.000 0.000 0.305 415 N C -1.111 174.440 175.510 0.068 0.000 1.103 415 N CA -0.376 52.694 53.050 0.034 0.000 0.815 415 N CB 2.981 41.477 38.487 0.014 0.000 1.288 415 N HN 0.755 nan 8.380 nan 0.000 0.493 416 I N 0.575 121.220 120.570 0.125 0.000 2.753 416 I HA 0.129 4.300 4.170 0.000 0.000 0.291 416 I C -1.770 174.443 176.117 0.160 0.000 1.425 416 I CA -0.338 61.036 61.300 0.122 0.000 1.039 416 I CB 1.350 39.454 38.000 0.173 0.000 1.349 416 I HN 0.431 nan 8.210 nan 0.000 0.430 417 D N 6.528 126.996 120.400 0.112 0.000 9.024 417 D HA -0.133 4.507 4.640 0.000 0.000 0.279 417 D C -0.941 175.459 176.300 0.166 0.000 2.512 417 D CA 1.286 55.377 54.000 0.151 0.000 2.322 417 D CB -0.184 40.755 40.800 0.232 0.000 0.967 417 D HN 0.717 nan 8.370 nan 0.000 0.684 418 M N -1.087 118.592 119.600 0.132 0.000 2.591 418 M HA 0.750 5.231 4.480 0.000 0.000 0.306 418 M C -1.208 175.187 176.300 0.158 0.000 1.190 418 M CA -1.041 54.353 55.300 0.157 0.000 0.889 418 M CB 2.530 35.171 32.600 0.069 0.000 1.728 418 M HN 0.037 nan 8.290 nan 0.000 0.458 419 V N 3.529 123.549 119.914 0.176 0.000 2.459 419 V HA 0.554 4.674 4.120 0.000 0.000 0.295 419 V C -0.359 175.865 176.094 0.217 0.000 1.029 419 V CA -0.628 61.779 62.300 0.177 0.000 0.874 419 V CB 1.781 33.696 31.823 0.153 0.000 0.985 419 V HN 0.811 nan 8.190 nan 0.000 0.438 420 L N 4.702 126.062 121.223 0.229 0.000 2.331 420 L HA 0.863 5.203 4.340 0.000 0.000 0.275 420 L C -0.531 176.519 176.870 0.300 0.000 1.022 420 L CA -0.644 54.366 54.840 0.283 0.000 0.812 420 L CB 2.005 44.224 42.059 0.267 0.000 1.257 420 L HN 0.475 nan 8.230 nan 0.000 0.435 421 V N 2.154 122.286 119.914 0.364 0.000 3.177 421 V HA 0.324 4.445 4.120 0.000 0.000 0.287 421 V C -1.727 174.606 176.094 0.397 0.000 1.465 421 V CA -0.388 62.127 62.300 0.358 0.000 1.020 421 V CB 2.464 34.504 31.823 0.362 0.000 1.152 421 V HN 0.857 nan 8.190 nan 0.000 0.448 422 Q N 3.019 123.009 119.800 0.316 0.000 2.340 422 Q HA 0.377 4.717 4.340 0.000 0.000 0.268 422 Q C -1.281 174.882 176.000 0.271 0.000 1.031 422 Q CA -0.664 55.299 55.803 0.268 0.000 0.804 422 Q CB 1.872 30.713 28.738 0.173 0.000 1.286 422 Q HN 0.861 nan 8.270 nan 0.000 0.448 423 D N 5.118 125.695 120.400 0.295 0.000 2.371 423 D HA 0.070 4.710 4.640 0.000 0.000 0.256 423 D C -1.600 174.795 176.300 0.159 0.000 1.193 423 D CA -1.590 52.568 54.000 0.264 0.000 0.881 423 D CB 1.529 42.531 40.800 0.335 0.000 1.143 423 D HN 0.417 nan 8.370 nan 0.000 0.473 424 P HA -0.096 nan 4.420 nan 0.000 0.221 424 P C 0.678 178.016 177.300 0.063 0.000 1.150 424 P CA 1.034 64.191 63.100 0.095 0.000 0.800 424 P CB 0.539 32.295 31.700 0.093 0.000 0.787 425 E N -0.854 119.385 120.200 0.064 0.000 2.140 425 E HA -0.004 4.346 4.350 0.000 0.000 0.191 425 E C 1.564 178.131 176.600 -0.056 0.000 0.973 425 E CA 1.060 57.461 56.400 0.002 0.000 0.829 425 E CB -0.231 29.466 29.700 -0.004 0.000 0.781 425 E HN 0.202 nan 8.360 nan 0.000 0.466 426 T N 0.160 114.680 114.554 -0.056 0.000 3.037 426 T HA 0.022 4.372 4.350 0.000 0.000 0.252 426 T C 0.473 175.144 174.700 -0.048 0.000 1.073 426 T CA 0.035 62.084 62.100 -0.085 0.000 1.091 426 T CB 0.317 69.122 68.868 -0.105 0.000 0.935 426 T HN -0.035 nan 8.240 nan 0.000 0.488 427 K N 0.204 120.598 120.400 -0.010 0.000 3.500 427 K HA -0.179 4.142 4.320 0.000 0.000 0.313 427 K C 0.308 176.874 176.600 -0.056 0.000 1.338 427 K CA 0.542 56.820 56.287 -0.014 0.000 0.963 427 K CB -1.574 30.911 32.500 -0.025 0.000 1.267 427 K HN 0.454 nan 8.250 nan 0.000 0.448 428 R N 1.269 121.709 120.500 -0.100 0.000 2.489 428 R HA 0.302 4.642 4.340 0.000 0.000 0.287 428 R C 0.056 176.163 176.300 -0.323 0.000 1.053 428 R CA 0.016 55.955 56.100 -0.268 0.000 1.036 428 R CB 0.295 30.345 30.300 -0.417 0.000 0.966 428 R HN 0.117 nan 8.270 nan 0.000 0.432 429 I N 5.564 125.957 120.570 -0.295 0.000 2.336 429 I HA 0.242 4.412 4.170 0.000 0.000 0.292 429 I C -0.628 175.461 176.117 -0.046 0.000 0.991 429 I CA -0.402 60.851 61.300 -0.079 0.000 1.227 429 I CB 1.043 39.055 38.000 0.019 0.000 1.366 429 I HN 0.479 nan 8.210 nan 0.000 0.466 430 F N 3.878 124.073 119.950 0.408 0.000 2.443 430 F HA 0.438 4.965 4.527 0.000 0.000 0.335 430 F C 0.548 176.618 175.800 0.451 0.000 1.104 430 F CA -0.537 57.744 58.000 0.469 0.000 1.013 430 F CB 1.875 41.114 39.000 0.399 0.000 1.136 430 F HN 0.276 nan 8.300 nan 0.000 0.470 431 S N 4.679 120.755 115.700 0.627 0.000 2.669 431 S HA 0.644 5.114 4.470 0.000 0.000 0.315 431 S C -0.898 173.952 174.600 0.416 0.000 1.106 431 S CA -0.472 57.973 58.200 0.409 0.000 1.107 431 S CB -0.055 63.215 63.200 0.117 0.000 0.990 431 S HN 0.510 nan 8.310 nan 0.000 0.471 432 I N 6.601 127.334 120.570 0.273 0.000 2.354 432 I HA 0.516 4.686 4.170 0.000 0.000 0.292 432 I C -0.862 175.329 176.117 0.123 0.000 0.989 432 I CA -0.904 60.416 61.300 0.034 0.000 1.188 432 I CB 1.157 39.061 38.000 -0.161 0.000 1.342 432 I HN 0.733 nan 8.210 nan 0.000 0.457 433 Y N 2.770 123.074 120.300 0.008 0.000 2.625 433 Y HA 0.580 5.131 4.550 0.000 0.000 0.338 433 Y C -1.154 174.718 175.900 -0.046 0.000 1.123 433 Y CA -1.653 56.447 58.100 0.001 0.000 1.046 433 Y CB 0.446 38.911 38.460 0.009 0.000 1.299 433 Y HN 0.315 nan 8.280 nan 0.000 0.464 434 D N 1.943 122.402 120.400 0.099 0.000 2.344 434 D HA 0.455 5.095 4.640 0.000 0.000 0.244 434 D C -0.560 175.612 176.300 -0.213 0.000 1.134 434 D CA 0.047 53.993 54.000 -0.089 0.000 0.930 434 D CB 1.418 42.261 40.800 0.073 0.000 1.175 434 D HN 0.732 nan 8.370 nan 0.000 0.437 435 M N 0.774 120.046 119.600 -0.548 0.000 2.378 435 M HA 0.624 5.104 4.480 0.000 0.000 0.289 435 M C -2.305 173.601 176.300 -0.656 0.000 1.136 435 M CA -0.457 54.422 55.300 -0.702 0.000 0.917 435 M CB 1.618 33.258 32.600 -1.599 0.000 1.669 435 M HN 0.185 nan 8.290 nan 0.000 0.461 436 F N 3.455 123.295 119.950 -0.183 0.000 2.576 436 F HA 0.845 5.372 4.527 0.000 0.000 0.313 436 F C -2.287 173.473 175.800 -0.065 0.000 1.078 436 F CA -1.527 56.461 58.000 -0.020 0.000 0.921 436 F CB 1.901 40.915 39.000 0.023 0.000 1.232 436 F HN 0.498 nan 8.300 nan 0.000 0.459 437 P HA -0.026 nan 4.420 nan 0.000 0.282 437 P C -0.564 176.863 177.300 0.212 0.000 1.286 437 P CA -0.365 62.858 63.100 0.204 0.000 0.777 437 P CB 0.460 32.320 31.700 0.267 0.000 1.184 438 E N -0.391 119.946 120.200 0.228 0.000 2.529 438 E HA 0.251 4.601 4.350 0.000 0.000 0.259 438 E C 0.387 177.042 176.600 0.092 0.000 0.966 438 E CA 0.692 57.190 56.400 0.162 0.000 0.937 438 E CB -0.536 29.262 29.700 0.163 0.000 0.923 438 E HN 0.686 nan 8.360 nan 0.000 0.468 439 G N 3.759 112.581 108.800 0.036 0.000 2.332 439 G HA2 -0.092 3.868 3.960 0.000 0.000 0.265 439 G HA3 -0.092 3.868 3.960 0.000 0.000 0.265 439 G C -0.653 174.147 174.900 -0.166 0.000 1.329 439 G CA -0.516 44.546 45.100 -0.064 0.000 0.949 439 G HN 0.447 nan 8.290 nan 0.000 0.476 440 K N 0.836 121.048 120.400 -0.314 0.000 2.577 440 K HA 0.352 4.672 4.320 0.000 0.000 0.210 440 K C 1.104 177.523 176.600 -0.301 0.000 1.048 440 K CA 0.288 56.254 56.287 -0.535 0.000 1.188 440 K CB 0.490 32.514 32.500 -0.794 0.000 0.910 440 K HN 1.273 nan 8.250 nan 0.000 0.483 441 G N 2.140 110.691 108.800 -0.415 0.000 2.721 441 G HA2 -0.229 3.731 3.960 0.000 0.000 0.342 441 G HA3 -0.229 3.731 3.960 0.000 0.000 0.342 441 G C 0.551 174.708 174.900 -1.238 0.000 0.146 441 G CA 0.959 45.316 45.100 -1.238 0.000 1.204 441 G HN 0.568 nan 8.290 nan 0.000 0.499 442 I N 0.804 120.772 120.570 -1.003 0.000 3.899 442 I HA -0.241 3.929 4.170 0.000 0.000 0.146 442 I C 1.109 176.925 176.117 -0.503 0.000 0.464 442 I CA 1.853 62.749 61.300 -0.673 0.000 1.083 442 I CB -1.190 36.266 38.000 -0.906 0.000 2.749 442 I HN 0.411 nan 8.210 nan 0.000 0.416 443 F N 1.354 121.195 119.950 -0.181 0.000 2.660 443 F HA 0.601 5.128 4.527 0.000 0.000 0.302 443 F C 1.578 177.255 175.800 -0.204 0.000 1.103 443 F CA 0.733 58.650 58.000 -0.139 0.000 1.340 443 F CB 0.817 39.745 39.000 -0.121 0.000 1.048 443 F HN 0.228 nan 8.300 nan 0.000 0.551 444 G N 0.170 108.912 108.800 -0.097 0.000 5.084 444 G HA2 0.303 4.263 3.960 0.000 0.000 0.241 444 G HA3 0.303 4.263 3.960 0.000 0.000 0.241 444 G C -0.065 174.792 174.900 -0.072 0.000 0.918 444 G CA -0.317 44.714 45.100 -0.115 0.000 0.754 444 G HN -0.015 nan 8.290 nan 0.000 0.478 445 M N 2.142 121.716 119.600 -0.043 0.000 2.216 445 M HA 0.299 4.779 4.480 0.000 0.000 0.356 445 M C 1.015 177.289 176.300 -0.043 0.000 1.205 445 M CA -0.432 54.854 55.300 -0.023 0.000 1.122 445 M CB 1.502 34.079 32.600 -0.039 0.000 1.571 445 M HN 0.307 nan 8.290 nan 0.000 0.464 446 S N 1.029 116.713 115.700 -0.026 0.000 2.563 446 S HA -0.003 4.467 4.470 0.000 0.000 0.284 446 S C 1.048 175.618 174.600 -0.051 0.000 1.331 446 S CA -0.172 58.008 58.200 -0.032 0.000 1.047 446 S CB 1.092 64.278 63.200 -0.024 0.000 0.859 446 S HN 0.802 nan 8.310 nan 0.000 0.514 447 S N 1.543 117.219 115.700 -0.039 0.000 2.406 447 S HA -0.013 4.457 4.470 0.000 0.000 0.228 447 S C 0.557 175.140 174.600 -0.030 0.000 1.020 447 S CA 0.642 58.820 58.200 -0.035 0.000 0.965 447 S CB -0.350 62.839 63.200 -0.019 0.000 0.798 447 S HN 0.776 nan 8.310 nan 0.000 0.488 448 Q N 1.292 121.075 119.800 -0.028 0.000 2.301 448 Q HA 0.357 4.697 4.340 0.000 0.000 0.267 448 Q C -0.887 175.099 176.000 -0.024 0.000 1.035 448 Q CA -0.499 55.292 55.803 -0.021 0.000 0.856 448 Q CB 1.590 30.315 28.738 -0.022 0.000 1.337 448 Q HN 0.291 nan 8.270 nan 0.000 0.450 449 K N 1.725 122.120 120.400 -0.009 0.000 2.322 449 K HA 0.114 4.434 4.320 0.000 0.000 0.283 449 K C -0.698 175.897 176.600 -0.008 0.000 1.042 449 K CA 0.198 56.484 56.287 -0.002 0.000 0.958 449 K CB 0.525 33.037 32.500 0.020 0.000 0.984 449 K HN 0.445 nan 8.250 nan 0.000 0.473 450 E N 3.452 123.648 120.200 -0.007 0.000 2.151 450 E HA 0.090 4.440 4.350 0.000 0.000 0.275 450 E C -1.094 175.581 176.600 0.126 0.000 0.936 450 E CA -0.601 55.804 56.400 0.009 0.000 0.777 450 E CB 1.579 31.227 29.700 -0.087 0.000 1.108 450 E HN 0.516 nan 8.360 nan 0.000 0.401 451 E N 1.250 121.571 120.200 0.202 0.000 2.415 451 E HA 0.026 4.376 4.350 0.000 0.000 0.263 451 E C 0.304 177.020 176.600 0.193 0.000 0.995 451 E CA 0.073 56.584 56.400 0.185 0.000 0.915 451 E CB 0.871 30.678 29.700 0.178 0.000 0.951 451 E HN 0.653 nan 8.360 nan 0.000 0.449 452 A N 3.992 126.854 122.820 0.070 0.000 2.140 452 A HA 0.127 4.447 4.320 0.000 0.000 0.209 452 A C -0.345 176.956 177.584 -0.472 0.000 1.181 452 A CA 0.573 52.520 52.037 -0.150 0.000 0.824 452 A CB 0.310 19.182 19.000 -0.213 0.000 0.879 452 A HN 0.576 nan 8.150 nan 0.000 0.480 453 Y N -1.414 118.957 120.300 0.118 0.000 2.609 453 Y HA 0.650 5.200 4.550 0.000 0.000 0.342 453 Y C -0.210 175.730 175.900 0.067 0.000 1.058 453 Y CA -1.081 57.073 58.100 0.089 0.000 1.055 453 Y CB 1.746 40.246 38.460 0.067 0.000 1.292 453 Y HN 0.033 nan 8.280 nan 0.000 0.476 454 K N 1.711 122.252 120.400 0.236 0.000 2.565 454 K HA 0.391 4.711 4.320 0.000 0.000 0.251 454 K C -1.846 174.829 176.600 0.124 0.000 0.956 454 K CA -0.769 55.608 56.287 0.151 0.000 0.809 454 K CB 1.307 33.881 32.500 0.123 0.000 1.267 454 K HN 0.633 nan 8.250 nan 0.000 0.438 455 K N 4.417 124.856 120.400 0.066 0.000 2.258 455 K HA 0.386 4.706 4.320 0.000 0.000 0.284 455 K C -0.512 176.114 176.600 0.042 0.000 1.051 455 K CA -0.268 56.025 56.287 0.009 0.000 0.923 455 K CB 0.790 33.282 32.500 -0.013 0.000 1.046 455 K HN 0.448 nan 8.250 nan 0.000 0.474 456 I N 3.152 123.751 120.570 0.047 0.000 2.497 456 I HA 0.051 4.221 4.170 0.000 0.000 0.284 456 I C -0.761 175.389 176.117 0.055 0.000 1.060 456 I CA -0.602 60.755 61.300 0.094 0.000 1.071 456 I CB 1.773 39.890 38.000 0.195 0.000 1.216 456 I HN 0.614 nan 8.210 nan 0.000 0.442 457 D N 3.443 123.858 120.400 0.024 0.000 2.792 457 D HA -0.161 4.479 4.640 0.000 0.000 0.231 457 D C 0.870 177.151 176.300 -0.033 0.000 1.160 457 D CA 1.340 55.341 54.000 0.002 0.000 0.697 457 D CB -1.285 39.523 40.800 0.013 0.000 1.070 457 D HN 0.866 nan 8.370 nan 0.000 0.426 458 G N 0.705 109.476 108.800 -0.049 0.000 2.134 458 G HA2 0.017 3.977 3.960 0.000 0.000 0.253 458 G HA3 0.017 3.977 3.960 0.000 0.000 0.253 458 G C 0.220 175.047 174.900 -0.122 0.000 0.960 458 G CA 0.839 45.876 45.100 -0.104 0.000 0.922 458 G HN 0.420 nan 8.290 nan 0.000 0.394 459 K N 0.851 121.137 120.400 -0.189 0.000 6.236 459 K HA -0.148 4.172 4.320 0.000 0.000 0.607 459 K C 0.015 176.319 176.600 -0.494 0.000 1.570 459 K CA 0.859 56.919 56.287 -0.377 0.000 1.551 459 K CB -1.188 31.080 32.500 -0.387 0.000 1.812 459 K HN 0.643 nan 8.250 nan 0.000 0.338 460 T N 3.332 117.617 114.554 -0.448 0.000 2.767 460 T HA 0.478 4.828 4.350 0.000 0.000 0.284 460 T C -0.468 174.015 174.700 -0.362 0.000 0.973 460 T CA -0.462 61.453 62.100 -0.309 0.000 0.996 460 T CB 0.287 69.048 68.868 -0.180 0.000 0.927 460 T HN 0.226 nan 8.240 nan 0.000 0.456 461 Y N 1.127 121.470 120.300 0.072 0.000 2.509 461 Y HA 0.475 5.025 4.550 0.000 0.000 0.341 461 Y C 0.553 176.567 175.900 0.190 0.000 1.038 461 Y CA -1.345 56.806 58.100 0.085 0.000 1.089 461 Y CB 1.340 39.800 38.460 -0.000 0.000 1.241 461 Y HN 0.514 nan 8.280 nan 0.000 0.468 462 Q N 1.956 121.954 119.800 0.330 0.000 2.288 462 Q HA 0.433 4.773 4.340 0.000 0.000 0.254 462 Q C -0.999 174.998 176.000 -0.004 0.000 0.932 462 Q CA -0.283 55.585 55.803 0.108 0.000 0.902 462 Q CB 0.629 29.403 28.738 0.059 0.000 1.203 462 Q HN 0.657 nan 8.270 nan 0.000 0.415 463 I N 4.207 124.707 120.570 -0.116 0.000 2.581 463 I HA 0.181 4.351 4.170 0.000 0.000 0.288 463 I C -0.301 175.684 176.117 -0.220 0.000 1.047 463 I CA -0.332 60.862 61.300 -0.178 0.000 1.374 463 I CB 0.743 38.580 38.000 -0.272 0.000 1.423 463 I HN 0.519 nan 8.210 nan 0.000 0.549 464 L N 5.853 126.943 121.223 -0.223 0.000 2.362 464 L HA 0.464 4.804 4.340 0.000 0.000 0.271 464 L C -1.251 175.511 176.870 -0.179 0.000 1.002 464 L CA -0.768 53.996 54.840 -0.128 0.000 0.818 464 L CB 1.653 43.670 42.059 -0.070 0.000 1.298 464 L HN 0.392 nan 8.230 nan 0.000 0.420 465 Y N 1.595 122.016 120.300 0.201 0.000 2.360 465 Y HA 0.493 5.043 4.550 0.000 0.000 0.337 465 Y C 0.110 176.065 175.900 0.091 0.000 1.039 465 Y CA -0.584 57.629 58.100 0.188 0.000 1.109 465 Y CB 1.461 39.995 38.460 0.124 0.000 1.201 465 Y HN 0.410 nan 8.280 nan 0.000 0.458 466 R N 2.195 122.781 120.500 0.143 0.000 2.294 466 R HA 0.216 4.556 4.340 0.000 0.000 0.319 466 R C -0.593 175.659 176.300 -0.080 0.000 0.984 466 R CA -0.954 55.008 56.100 -0.229 0.000 0.861 466 R CB 0.856 30.828 30.300 -0.546 0.000 1.104 466 R HN 0.747 nan 8.270 nan 0.000 0.451 467 E N 2.687 122.803 120.200 -0.140 0.000 2.868 467 E HA -0.085 4.265 4.350 0.000 0.000 0.246 467 E C 0.735 177.306 176.600 -0.048 0.000 0.962 467 E CA 1.989 58.345 56.400 -0.074 0.000 0.955 467 E CB -0.071 29.571 29.700 -0.097 0.000 0.903 467 E HN 0.815 nan 8.360 nan 0.000 0.524 468 G N 3.763 112.560 108.800 -0.005 0.000 2.213 468 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 468 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 468 G C -0.059 174.865 174.900 0.040 0.000 0.992 468 G CA 0.155 45.260 45.100 0.009 0.000 0.632 468 G HN 0.537 nan 8.290 nan 0.000 0.511 469 E N 0.198 120.444 120.200 0.077 0.000 2.238 469 E HA 0.540 4.890 4.350 0.000 0.000 0.267 469 E C -0.342 176.357 176.600 0.165 0.000 0.887 469 E CA -0.836 55.640 56.400 0.127 0.000 0.769 469 E CB 2.074 31.894 29.700 0.200 0.000 1.187 469 E HN 0.193 nan 8.360 nan 0.000 0.416 470 K N 1.400 121.881 120.400 0.136 0.000 2.118 470 K HA 0.636 4.956 4.320 0.000 0.000 0.267 470 K C -0.327 176.372 176.600 0.165 0.000 0.991 470 K CA -0.053 56.327 56.287 0.155 0.000 0.916 470 K CB 0.996 33.554 32.500 0.096 0.000 1.041 470 K HN 0.713 nan 8.250 nan 0.000 0.455 471 G N 1.086 110.009 108.800 0.204 0.000 2.348 471 G HA2 0.175 4.135 3.960 0.000 0.000 0.606 471 G HA3 0.175 4.135 3.960 0.000 0.000 0.606 471 G C -0.038 174.935 174.900 0.122 0.000 1.466 471 G CA -0.337 44.831 45.100 0.114 0.000 0.950 471 G HN 0.726 nan 8.290 nan 0.000 0.657 472 A N 0.794 123.621 122.820 0.013 0.000 1.952 472 A HA 0.443 4.763 4.320 0.000 0.000 0.206 472 A C 0.967 178.568 177.584 0.027 0.000 1.213 472 A CA 2.434 54.451 52.037 -0.033 0.000 0.690 472 A CB -1.044 17.935 19.000 -0.034 0.000 0.854 472 A HN 2.347 nan 8.150 nan 0.000 0.485 473 Y N -1.633 118.645 120.300 -0.037 0.000 2.594 473 Y HA -0.095 4.455 4.550 0.000 0.000 0.026 473 Y C 0.323 176.151 175.900 -0.119 0.000 1.795 473 Y CA 0.399 58.467 58.100 -0.053 0.000 1.356 473 Y CB -1.586 36.875 38.460 0.003 0.000 2.007 473 Y HN 0.913 nan 8.280 nan 0.000 0.267 474 T N 1.107 115.681 114.554 0.034 0.000 2.907 474 T HA 0.859 5.209 4.350 0.000 0.000 0.292 474 T C -0.345 174.288 174.700 -0.113 0.000 1.043 474 T CA -1.088 60.974 62.100 -0.063 0.000 1.003 474 T CB 2.162 70.943 68.868 -0.146 0.000 1.084 474 T HN 0.509 nan 8.240 nan 0.000 0.483 475 I N 2.845 123.357 120.570 -0.098 0.000 2.287 475 I HA 0.346 4.516 4.170 0.000 0.000 0.290 475 I C 0.992 177.028 176.117 -0.136 0.000 1.069 475 I CA -0.713 60.534 61.300 -0.087 0.000 1.237 475 I CB 0.431 38.412 38.000 -0.032 0.000 1.418 475 I HN 0.493 nan 8.210 nan 0.000 0.481 476 R N 4.207 124.551 120.500 -0.261 0.000 2.745 476 R HA 0.291 4.631 4.340 0.000 0.000 0.214 476 R C 0.057 176.318 176.300 -0.064 0.000 1.456 476 R CA -0.888 54.973 56.100 -0.399 0.000 0.974 476 R CB 0.198 29.933 30.300 -0.942 0.000 2.210 476 R HN 0.501 nan 8.270 nan 0.000 0.520 477 E N 1.814 121.992 120.200 -0.036 0.000 2.481 477 E HA -0.152 4.198 4.350 0.000 0.000 0.263 477 E C -0.586 176.033 176.600 0.031 0.000 0.992 477 E CA 0.408 56.826 56.400 0.031 0.000 0.938 477 E CB -0.134 29.587 29.700 0.034 0.000 0.933 477 E HN 0.656 nan 8.360 nan 0.000 0.453 478 N N 1.739 120.452 118.700 0.022 0.000 2.732 478 N HA -0.240 4.500 4.740 0.000 0.000 0.250 478 N C 0.731 176.239 175.510 -0.004 0.000 1.097 478 N CA 0.885 53.939 53.050 0.007 0.000 0.812 478 N CB -1.341 37.151 38.487 0.007 0.000 1.148 478 N HN 0.944 nan 8.380 nan 0.000 0.572 479 G N -1.628 107.172 108.800 0.000 0.000 2.137 479 G HA2 -0.307 3.653 3.960 0.000 0.000 0.237 479 G HA3 -0.307 3.653 3.960 0.000 0.000 0.237 479 G C 0.043 174.933 174.900 -0.016 0.000 1.002 479 G CA 0.309 45.399 45.100 -0.016 0.000 0.702 479 G HN 0.419 nan 8.290 nan 0.000 0.515 480 T N 1.031 115.598 114.554 0.022 0.000 2.814 480 T HA 0.435 4.785 4.350 0.000 0.000 0.297 480 T C 0.843 175.590 174.700 0.078 0.000 0.956 480 T CA -0.166 61.968 62.100 0.057 0.000 1.123 480 T CB 1.982 70.935 68.868 0.142 0.000 0.902 480 T HN 0.440 nan 8.240 nan 0.000 0.528 481 V N 5.122 125.015 119.914 -0.035 0.000 2.508 481 V HA 0.197 4.317 4.120 0.000 0.000 0.281 481 V C -0.328 175.768 176.094 0.004 0.000 1.041 481 V CA -0.336 61.904 62.300 -0.100 0.000 1.016 481 V CB -0.411 31.177 31.823 -0.392 0.000 0.984 481 V HN 0.756 nan 8.190 nan 0.000 0.478 482 Y N 2.207 122.431 120.300 -0.127 0.000 2.387 482 Y HA 0.355 4.905 4.550 0.000 0.000 0.336 482 Y C 1.008 176.891 175.900 -0.028 0.000 1.067 482 Y CA -0.296 57.748 58.100 -0.093 0.000 1.114 482 Y CB 1.956 40.312 38.460 -0.173 0.000 1.208 482 Y HN 0.592 nan 8.280 nan 0.000 0.458 483 T N 3.850 118.408 114.554 0.007 0.000 2.856 483 T HA 0.046 4.396 4.350 0.000 0.000 0.306 483 T C -1.587 172.921 174.700 -0.319 0.000 1.062 483 T CA -1.434 60.518 62.100 -0.246 0.000 1.083 483 T CB 0.641 69.412 68.868 -0.163 0.000 0.984 483 T HN 0.459 nan 8.240 nan 0.000 0.542 484 P HA -0.074 nan 4.420 nan 0.000 0.217 484 P C 0.866 178.081 177.300 -0.142 0.000 1.148 484 P CA 0.945 63.866 63.100 -0.298 0.000 0.828 484 P CB 0.130 31.645 31.700 -0.308 0.000 0.783 485 D N -1.813 118.508 120.400 -0.131 0.000 2.264 485 D HA 0.018 4.658 4.640 0.000 0.000 0.208 485 D C 1.563 177.852 176.300 -0.018 0.000 0.966 485 D CA 1.592 55.556 54.000 -0.061 0.000 0.864 485 D CB -0.555 40.210 40.800 -0.059 0.000 0.933 485 D HN 0.189 nan 8.370 nan 0.000 0.499 486 G N -0.106 108.699 108.800 0.009 0.000 2.138 486 G HA2 -0.200 3.760 3.960 0.000 0.000 0.193 486 G HA3 -0.200 3.760 3.960 0.000 0.000 0.193 486 G C 0.097 175.105 174.900 0.180 0.000 0.998 486 G CA -0.390 44.779 45.100 0.115 0.000 0.668 486 G HN 0.081 nan 8.290 nan 0.000 0.516 487 K N 0.715 121.129 120.400 0.024 0.000 2.183 487 K HA 0.703 5.023 4.320 0.000 0.000 0.274 487 K C 0.624 176.981 176.600 -0.404 0.000 1.009 487 K CA 0.073 56.290 56.287 -0.116 0.000 0.888 487 K CB 1.692 34.130 32.500 -0.103 0.000 1.078 487 K HN 0.674 nan 8.250 nan 0.000 0.459 488 A N 2.258 124.640 122.820 -0.730 0.000 2.522 488 A HA 0.057 4.377 4.320 0.000 0.000 0.256 488 A C 1.298 178.607 177.584 -0.458 0.000 1.086 488 A CA 0.159 51.583 52.037 -1.020 0.000 0.763 488 A CB -0.272 18.247 19.000 -0.803 0.000 1.024 488 A HN 0.775 nan 8.150 nan 0.000 0.502 489 T N -0.177 114.172 114.554 -0.341 0.000 3.055 489 T HA -0.010 4.341 4.350 0.000 0.000 0.265 489 T C 1.053 175.676 174.700 -0.129 0.000 1.111 489 T CA 1.018 63.013 62.100 -0.175 0.000 1.118 489 T CB -0.266 68.579 68.868 -0.038 0.000 0.909 489 T HN 0.814 nan 8.240 nan 0.000 0.501 490 D N 0.257 120.588 120.400 -0.116 0.000 4.005 490 D HA -0.286 4.354 4.640 0.000 0.000 0.222 490 D C 0.929 177.350 176.300 0.200 0.000 1.463 490 D CA 2.198 56.215 54.000 0.029 0.000 2.312 490 D CB -1.443 39.400 40.800 0.071 0.000 1.269 490 D HN 0.478 nan 8.370 nan 0.000 0.416 491 Y N 0.174 120.453 120.300 -0.035 0.000 2.097 491 Y HA 0.040 4.590 4.550 0.000 0.000 0.282 491 Y C 1.550 177.458 175.900 0.012 0.000 1.152 491 Y CA 1.391 59.491 58.100 0.000 0.000 1.136 491 Y CB -0.729 37.741 38.460 0.017 0.000 0.975 491 Y HN 0.032 nan 8.280 nan 0.000 0.498 492 R N 0.247 120.853 120.500 0.177 0.000 2.347 492 R HA 0.398 4.739 4.340 0.000 0.000 0.304 492 R C -0.966 175.329 176.300 -0.008 0.000 1.072 492 R CA 0.014 56.155 56.100 0.069 0.000 0.980 492 R CB 0.534 30.834 30.300 0.000 0.000 0.986 492 R HN -0.002 nan 8.270 nan 0.000 0.448 493 V N 0.833 120.754 119.914 0.010 0.000 3.048 493 V HA 0.673 4.793 4.120 0.000 0.000 0.303 493 V C -0.582 175.516 176.094 0.007 0.000 1.214 493 V CA -1.212 61.082 62.300 -0.009 0.000 0.984 493 V CB 1.724 33.546 31.823 -0.001 0.000 1.054 493 V HN 0.478 nan 8.190 nan 0.000 0.430 494 V N 1.062 120.954 119.914 -0.036 0.000 2.667 494 V HA 0.830 4.950 4.120 0.000 0.000 0.308 494 V C -0.030 176.049 176.094 -0.025 0.000 1.048 494 V CA -0.768 61.512 62.300 -0.033 0.000 0.928 494 V CB 1.871 33.629 31.823 -0.108 0.000 1.004 494 V HN 0.907 nan 8.190 nan 0.000 0.444 495 V N 4.668 124.581 119.914 -0.002 0.000 2.421 495 V HA 0.237 4.357 4.120 0.000 0.000 0.271 495 V C 0.392 176.477 176.094 -0.016 0.000 1.031 495 V CA 0.399 62.696 62.300 -0.005 0.000 1.032 495 V CB 0.068 31.919 31.823 0.047 0.000 1.009 495 V HN 1.063 nan 8.190 nan 0.000 0.477 496 D N 4.779 125.164 120.400 -0.025 0.000 2.840 496 D HA 0.172 4.812 4.640 0.000 0.000 0.277 496 D C -1.718 174.560 176.300 -0.036 0.000 1.066 496 D CA 0.507 54.486 54.000 -0.037 0.000 0.979 496 D CB -0.712 40.068 40.800 -0.034 0.000 1.157 496 D HN 0.436 nan 8.370 nan 0.000 0.466 497 P HA 0.110 nan 4.420 nan 0.000 0.271 497 P C -0.387 176.937 177.300 0.040 0.000 1.380 497 P CA -0.027 63.074 63.100 0.001 0.000 0.992 497 P CB 0.787 32.489 31.700 0.003 0.000 1.230 498 V N 3.962 123.928 119.914 0.086 0.000 2.716 498 V HA 0.334 4.455 4.120 0.000 0.000 0.304 498 V C 0.714 176.983 176.094 0.291 0.000 1.053 498 V CA -0.081 62.327 62.300 0.180 0.000 0.984 498 V CB 1.874 33.825 31.823 0.212 0.000 1.021 498 V HN 0.353 nan 8.190 nan 0.000 0.467 499 K N 3.030 123.539 120.400 0.180 0.000 2.386 499 K HA 0.374 4.694 4.320 0.000 0.000 0.237 499 K C -1.269 175.270 176.600 -0.101 0.000 1.122 499 K CA 0.445 56.771 56.287 0.065 0.000 0.838 499 K CB -0.983 31.539 32.500 0.037 0.000 1.364 499 K HN 0.546 nan 8.250 nan 0.000 0.440 500 P HA -0.243 nan 4.420 nan 0.000 0.220 500 P C 0.263 177.422 177.300 -0.235 0.000 0.963 500 P CA 1.474 64.513 63.100 -0.102 0.000 1.015 500 P CB -0.034 31.655 31.700 -0.018 0.000 0.609 501 A N -2.597 120.129 122.820 -0.156 0.000 2.462 501 A HA 0.196 4.516 4.320 0.000 0.000 0.261 501 A C -0.326 177.185 177.584 -0.122 0.000 1.323 501 A CA -0.268 51.660 52.037 -0.182 0.000 0.913 501 A CB -1.298 17.680 19.000 -0.037 0.000 1.028 501 A HN 0.364 nan 8.150 nan 0.000 0.511 502 Y N -1.472 118.878 120.300 0.083 0.000 4.798 502 Y HA -0.328 4.222 4.550 0.000 0.000 0.237 502 Y C 1.983 177.962 175.900 0.131 0.000 1.017 502 Y CA 0.625 58.784 58.100 0.098 0.000 2.010 502 Y CB -2.785 35.736 38.460 0.103 0.000 1.582 502 Y HN 0.625 nan 8.280 nan 0.000 0.621 503 S N -0.242 115.576 115.700 0.196 0.000 2.507 503 S HA -0.127 4.343 4.470 0.000 0.000 0.235 503 S C 1.345 176.062 174.600 0.195 0.000 0.988 503 S CA 1.134 59.447 58.200 0.188 0.000 0.944 503 S CB -0.142 63.135 63.200 0.127 0.000 0.762 503 S HN 0.648 nan 8.310 nan 0.000 0.526 504 D N 0.441 120.950 120.400 0.182 0.000 2.349 504 D HA 0.074 4.714 4.640 0.000 0.000 0.214 504 D C 0.457 176.850 176.300 0.156 0.000 1.063 504 D CA -0.226 53.868 54.000 0.157 0.000 0.847 504 D CB -0.315 40.569 40.800 0.141 0.000 0.933 504 D HN 0.408 nan 8.370 nan 0.000 0.513 505 K N 0.658 121.186 120.400 0.212 0.000 2.472 505 K HA 0.209 4.529 4.320 0.000 0.000 0.280 505 K C 1.054 177.747 176.600 0.154 0.000 1.028 505 K CA 1.182 57.591 56.287 0.204 0.000 1.045 505 K CB 0.093 32.756 32.500 0.272 0.000 0.902 505 K HN 0.186 nan 8.250 nan 0.000 0.478 506 G N 3.137 111.898 108.800 -0.065 0.000 2.217 506 G HA2 -0.220 3.740 3.960 0.000 0.000 0.246 506 G HA3 -0.220 3.740 3.960 0.000 0.000 0.246 506 G C -0.391 174.299 174.900 -0.349 0.000 0.990 506 G CA 0.077 44.895 45.100 -0.469 0.000 0.627 506 G HN 0.740 nan 8.290 nan 0.000 0.522 507 D N 0.350 120.663 120.400 -0.146 0.000 2.533 507 D HA 0.344 4.985 4.640 0.000 0.000 0.236 507 D C 0.462 176.754 176.300 -0.014 0.000 1.137 507 D CA 0.318 54.264 54.000 -0.090 0.000 0.867 507 D CB 1.170 42.027 40.800 0.095 0.000 1.170 507 D HN 0.409 nan 8.370 nan 0.000 0.474 508 L N 3.489 124.645 121.223 -0.111 0.000 2.307 508 L HA 0.368 4.708 4.340 0.000 0.000 0.284 508 L C -1.324 175.505 176.870 -0.067 0.000 1.023 508 L CA -0.565 54.260 54.840 -0.026 0.000 0.810 508 L CB 0.633 42.668 42.059 -0.040 0.000 1.231 508 L HN 0.243 nan 8.230 nan 0.000 0.423 509 Y N 3.385 123.669 120.300 -0.027 0.000 2.509 509 Y HA 0.443 4.993 4.550 0.000 0.000 0.341 509 Y C -0.107 175.802 175.900 0.016 0.000 1.038 509 Y CA -0.816 57.278 58.100 -0.009 0.000 1.089 509 Y CB 1.763 40.211 38.460 -0.021 0.000 1.241 509 Y HN 0.369 nan 8.280 nan 0.000 0.468 510 K N 2.299 122.792 120.400 0.155 0.000 2.423 510 K HA 0.442 4.763 4.320 0.000 0.000 0.234 510 K C 0.354 176.991 176.600 0.062 0.000 1.051 510 K CA 0.524 56.888 56.287 0.129 0.000 1.021 510 K CB 0.066 32.636 32.500 0.117 0.000 1.474 510 K HN 0.998 nan 8.250 nan 0.000 0.474 511 G N 3.088 111.913 108.800 0.042 0.000 2.588 511 G HA2 -0.309 3.652 3.960 0.000 0.000 0.273 511 G HA3 -0.309 3.652 3.960 0.000 0.000 0.273 511 G C 0.433 175.369 174.900 0.060 0.000 1.211 511 G CA -0.123 44.958 45.100 -0.032 0.000 0.958 511 G HN 0.587 nan 8.290 nan 0.000 0.543 512 N N 1.311 120.049 118.700 0.063 0.000 2.270 512 N HA 0.118 4.858 4.740 0.000 0.000 0.198 512 N C 0.685 176.354 175.510 0.264 0.000 1.117 512 N CA 0.503 53.639 53.050 0.143 0.000 0.845 512 N CB 0.592 39.107 38.487 0.047 0.000 0.980 512 N HN 0.511 nan 8.380 nan 0.000 0.486 513 Q N 1.760 121.675 119.800 0.192 0.000 2.377 513 Q HA 0.183 4.523 4.340 0.000 0.000 0.249 513 Q C -0.809 175.130 176.000 -0.103 0.000 1.005 513 Q CA -0.457 55.384 55.803 0.063 0.000 0.912 513 Q CB 0.391 29.140 28.738 0.019 0.000 1.223 513 Q HN 0.135 nan 8.270 nan 0.000 0.459 514 L N 5.118 126.124 121.223 -0.361 0.000 2.433 514 L HA 0.155 4.495 4.340 0.000 0.000 0.275 514 L C -0.564 176.080 176.870 -0.376 0.000 1.128 514 L CA 0.756 55.093 54.840 -0.838 0.000 0.875 514 L CB 0.254 41.887 42.059 -0.709 0.000 1.171 514 L HN 0.954 nan 8.230 nan 0.000 0.463 515 L N 4.834 125.865 121.223 -0.320 0.000 2.388 515 L HA 0.503 4.843 4.340 0.000 0.000 0.209 515 L C 1.221 178.034 176.870 -0.095 0.000 1.061 515 L CA 0.574 55.330 54.840 -0.139 0.000 0.834 515 L CB -0.158 41.858 42.059 -0.071 0.000 1.029 515 L HN 0.888 nan 8.230 nan 0.000 0.473 516 G N -1.234 107.483 108.800 -0.139 0.000 2.539 516 G HA2 0.104 4.064 3.960 0.000 0.000 0.138 516 G HA3 0.104 4.064 3.960 0.000 0.000 0.138 516 G C -1.895 172.828 174.900 -0.294 0.000 1.148 516 G CA -0.355 44.690 45.100 -0.092 0.000 1.057 516 G HN -0.036 nan 8.290 nan 0.000 0.511 517 N N -0.036 118.346 118.700 -0.529 0.000 2.431 517 N HA 0.200 4.940 4.740 0.000 0.000 0.275 517 N C 1.007 176.141 175.510 -0.627 0.000 1.091 517 N CA -0.202 52.362 53.050 -0.809 0.000 0.922 517 N CB 2.195 39.744 38.487 -1.563 0.000 1.666 517 N HN 0.796 nan 8.380 nan 0.000 0.484 518 I N 0.224 120.480 120.570 -0.524 0.000 3.083 518 I HA -0.023 4.147 4.170 0.000 0.000 0.273 518 I C 0.096 176.098 176.117 -0.190 0.000 1.297 518 I CA 0.837 61.934 61.300 -0.339 0.000 1.452 518 I CB -0.253 37.530 38.000 -0.361 0.000 1.078 518 I HN 0.320 nan 8.210 nan 0.000 0.484 519 Y N 0.410 120.655 120.300 -0.092 0.000 2.457 519 Y HA 0.348 4.898 4.550 0.000 0.000 0.263 519 Y C 0.670 176.728 175.900 0.264 0.000 1.164 519 Y CA -1.454 56.686 58.100 0.067 0.000 1.274 519 Y CB -0.512 38.002 38.460 0.092 0.000 1.097 519 Y HN -0.014 nan 8.280 nan 0.000 0.523 520 F N 0.882 120.934 119.950 0.170 0.000 2.399 520 F HA 0.300 4.827 4.527 0.000 0.000 0.342 520 F C 1.500 177.358 175.800 0.096 0.000 1.106 520 F CA -0.881 57.188 58.000 0.115 0.000 1.196 520 F CB 0.865 39.908 39.000 0.071 0.000 1.163 520 F HN -0.073 nan 8.300 nan 0.000 0.547 521 T N -3.048 111.664 114.554 0.263 0.000 3.004 521 T HA 0.198 4.549 4.350 0.000 0.000 0.266 521 T C 0.442 175.198 174.700 0.093 0.000 0.986 521 T CA 0.037 62.231 62.100 0.157 0.000 0.902 521 T CB -0.037 68.908 68.868 0.128 0.000 1.118 521 T HN 0.383 nan 8.240 nan 0.000 0.522 522 T N 3.220 117.818 114.554 0.074 0.000 2.863 522 T HA 0.465 4.815 4.350 0.000 0.000 0.285 522 T C -0.627 174.082 174.700 0.015 0.000 1.009 522 T CA -0.606 61.508 62.100 0.023 0.000 0.989 522 T CB 1.266 70.127 68.868 -0.011 0.000 1.004 522 T HN 0.218 nan 8.240 nan 0.000 0.455 523 N N 2.064 120.768 118.700 0.007 0.000 2.699 523 N HA -0.159 4.581 4.740 0.000 0.000 0.256 523 N C -0.264 175.261 175.510 0.025 0.000 0.993 523 N CA 0.795 53.847 53.050 0.003 0.000 0.759 523 N CB -0.842 37.635 38.487 -0.016 0.000 0.906 523 N HN 0.622 nan 8.380 nan 0.000 0.541 524 K N -0.328 120.101 120.400 0.049 0.000 2.355 524 K HA 0.139 4.459 4.320 0.000 0.000 0.270 524 K C 1.184 177.819 176.600 0.059 0.000 1.003 524 K CA 0.436 56.776 56.287 0.088 0.000 0.957 524 K CB 0.528 33.076 32.500 0.080 0.000 0.939 524 K HN 0.152 nan 8.250 nan 0.000 0.482 525 T N -0.711 113.894 114.554 0.085 0.000 2.990 525 T HA -0.015 4.335 4.350 0.000 0.000 0.250 525 T C 0.511 175.218 174.700 0.011 0.000 1.041 525 T CA -0.134 61.992 62.100 0.043 0.000 1.010 525 T CB 0.284 69.186 68.868 0.057 0.000 1.003 525 T HN 0.677 nan 8.240 nan 0.000 0.499 526 S N 1.509 117.216 115.700 0.012 0.000 2.638 526 S HA 0.513 4.984 4.470 0.000 0.000 0.298 526 S C -2.469 172.084 174.600 -0.079 0.000 1.111 526 S CA -1.436 56.752 58.200 -0.020 0.000 1.027 526 S CB 1.924 65.122 63.200 -0.004 0.000 1.064 526 S HN -0.141 nan 8.310 nan 0.000 0.525 527 P HA 0.277 nan 4.420 nan 0.000 0.241 527 P C -0.712 176.219 177.300 -0.616 0.000 1.191 527 P CA 0.371 63.192 63.100 -0.465 0.000 0.771 527 P CB -0.131 31.131 31.700 -0.729 0.000 0.929 528 F N 0.997 120.883 119.950 -0.107 0.000 2.495 528 F HA 0.518 5.045 4.527 0.000 0.000 0.327 528 F C 1.026 176.791 175.800 -0.058 0.000 1.103 528 F CA -0.980 56.950 58.000 -0.118 0.000 0.949 528 F CB 1.752 40.644 39.000 -0.179 0.000 1.142 528 F HN -0.291 nan 8.300 nan 0.000 0.457 529 R N 2.425 123.042 120.500 0.195 0.000 2.808 529 R HA 0.827 5.167 4.340 0.000 0.000 0.272 529 R C -1.079 175.346 176.300 0.209 0.000 0.995 529 R CA -1.080 55.120 56.100 0.168 0.000 0.917 529 R CB 1.780 32.183 30.300 0.172 0.000 1.217 529 R HN 0.711 nan 8.270 nan 0.000 0.471 530 I N -0.349 120.334 120.570 0.188 0.000 3.021 530 I HA 0.564 4.734 4.170 0.000 0.000 0.303 530 I C 0.437 176.759 176.117 0.343 0.000 1.044 530 I CA -0.942 60.485 61.300 0.212 0.000 1.266 530 I CB 0.895 38.990 38.000 0.157 0.000 1.447 530 I HN 0.819 nan 8.210 nan 0.000 0.593 531 A N 3.211 126.276 122.820 0.408 0.000 2.565 531 A HA 0.069 4.389 4.320 0.000 0.000 0.237 531 A C 0.282 178.054 177.584 0.312 0.000 1.053 531 A CA -0.058 52.218 52.037 0.398 0.000 0.755 531 A CB -0.292 18.921 19.000 0.354 0.000 0.980 531 A HN 0.753 nan 8.150 nan 0.000 0.506 532 K N 2.085 122.600 120.400 0.191 0.000 2.237 532 K HA 0.207 4.527 4.320 0.000 0.000 0.283 532 K C -0.750 175.918 176.600 0.114 0.000 1.080 532 K CA 0.258 56.644 56.287 0.166 0.000 0.965 532 K CB 0.085 32.642 32.500 0.095 0.000 1.098 532 K HN 0.784 nan 8.250 nan 0.000 0.434 533 D N 0.105 120.579 120.400 0.123 0.000 2.677 533 D HA 0.166 4.806 4.640 0.000 0.000 0.298 533 D C -1.235 174.961 176.300 -0.174 0.000 1.250 533 D CA -0.513 53.428 54.000 -0.100 0.000 0.888 533 D CB 1.489 42.081 40.800 -0.346 0.000 1.397 533 D HN 0.251 nan 8.370 nan 0.000 0.461 534 S N 0.146 115.637 115.700 -0.349 0.000 2.541 534 S HA 0.716 5.186 4.470 0.000 0.000 0.283 534 S C -1.100 173.058 174.600 -0.738 0.000 1.196 534 S CA -0.363 57.496 58.200 -0.568 0.000 1.062 534 S CB 0.532 63.573 63.200 -0.265 0.000 1.009 534 S HN 0.362 nan 8.310 nan 0.000 0.502 535 Y N 0.953 120.936 120.300 -0.528 0.000 2.602 535 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 535 Y C -0.616 175.045 175.900 -0.399 0.000 1.029 535 Y CA -1.250 56.654 58.100 -0.328 0.000 1.080 535 Y CB 1.710 40.033 38.460 -0.228 0.000 1.284 535 Y HN 0.675 nan 8.280 nan 0.000 0.485 536 L N 1.850 123.054 121.223 -0.031 0.000 2.372 536 L HA 0.504 4.844 4.340 0.000 0.000 0.273 536 L C -1.889 175.023 176.870 0.069 0.000 0.989 536 L CA -0.479 54.285 54.840 -0.125 0.000 0.841 536 L CB 0.507 42.440 42.059 -0.211 0.000 1.225 536 L HN 0.515 nan 8.230 nan 0.000 0.414 537 W N 5.404 126.445 121.300 -0.432 0.000 2.578 537 W HA 0.705 5.365 4.660 0.000 0.000 0.353 537 W C -0.169 175.899 176.519 -0.751 0.000 1.088 537 W CA -1.069 55.947 57.345 -0.548 0.000 1.235 537 W CB 1.566 30.677 29.460 -0.583 0.000 1.362 537 W HN 0.304 nan 8.180 nan 0.000 0.592 538 M N 1.917 121.353 119.600 -0.274 0.000 2.386 538 M HA 0.507 4.987 4.480 0.000 0.000 0.293 538 M C -1.243 175.131 176.300 0.123 0.000 1.120 538 M CA -0.039 55.200 55.300 -0.102 0.000 0.909 538 M CB 1.863 34.478 32.600 0.026 0.000 1.661 538 M HN 0.315 nan 8.290 nan 0.000 0.452 539 S N 3.267 119.177 115.700 0.349 0.000 2.566 539 S HA 0.820 5.290 4.470 0.000 0.000 0.298 539 S C -1.662 173.329 174.600 0.651 0.000 1.083 539 S CA -0.530 57.906 58.200 0.393 0.000 0.978 539 S CB 1.718 65.138 63.200 0.366 0.000 1.073 539 S HN 0.641 nan 8.310 nan 0.000 0.491 540 Y N -0.841 119.766 120.300 0.513 0.000 2.553 540 Y HA 0.837 5.387 4.550 0.000 0.000 0.347 540 Y C -0.552 175.357 175.900 0.015 0.000 1.019 540 Y CA -1.171 57.108 58.100 0.298 0.000 1.032 540 Y CB 1.151 39.592 38.460 -0.033 0.000 1.284 540 Y HN 0.578 nan 8.280 nan 0.000 0.466 541 S N 0.750 116.242 115.700 -0.348 0.000 2.521 541 S HA 0.422 4.892 4.470 0.000 0.000 0.295 541 S C -0.922 173.483 174.600 -0.325 0.000 1.098 541 S CA -0.681 57.145 58.200 -0.624 0.000 0.999 541 S CB 1.723 64.011 63.200 -1.521 0.000 1.034 541 S HN 0.764 nan 8.310 nan 0.000 0.483 542 D N 1.402 121.691 120.400 -0.185 0.000 2.392 542 D HA 0.056 4.696 4.640 0.000 0.000 0.206 542 D C -0.074 176.147 176.300 -0.132 0.000 1.046 542 D CA 0.596 54.524 54.000 -0.120 0.000 0.865 542 D CB 0.175 40.951 40.800 -0.040 0.000 0.969 542 D HN 0.844 nan 8.370 nan 0.000 0.509 543 D N 0.408 120.706 120.400 -0.169 0.000 2.889 543 D HA 0.067 4.707 4.640 0.000 0.000 0.243 543 D C 0.102 176.317 176.300 -0.142 0.000 1.270 543 D CA -0.378 53.544 54.000 -0.131 0.000 0.838 543 D CB 0.063 40.797 40.800 -0.109 0.000 1.040 543 D HN -0.170 nan 8.370 nan 0.000 0.480 544 D N -0.525 119.785 120.400 -0.151 0.000 2.983 544 D HA -0.190 4.450 4.640 0.000 0.000 0.225 544 D C 1.194 177.426 176.300 -0.113 0.000 1.174 544 D CA 1.807 55.743 54.000 -0.107 0.000 0.831 544 D CB -1.124 39.645 40.800 -0.053 0.000 1.104 544 D HN 0.694 nan 8.370 nan 0.000 0.421 545 G N -1.357 107.282 108.800 -0.267 0.000 2.154 545 G HA2 -0.302 3.658 3.960 0.000 0.000 0.186 545 G HA3 -0.302 3.658 3.960 0.000 0.000 0.186 545 G C 0.934 175.771 174.900 -0.105 0.000 1.000 545 G CA 0.539 45.481 45.100 -0.264 0.000 0.664 545 G HN 0.511 nan 8.290 nan 0.000 0.513 546 K N -0.013 120.303 120.400 -0.139 0.000 2.098 546 K HA 0.202 4.522 4.320 0.000 0.000 0.203 546 K C 1.469 178.069 176.600 -0.001 0.000 1.051 546 K CA 1.511 57.786 56.287 -0.020 0.000 0.957 546 K CB 0.079 32.566 32.500 -0.022 0.000 0.738 546 K HN 0.588 nan 8.250 nan 0.000 0.447 547 T N -2.212 112.270 114.554 -0.120 0.000 2.924 547 T HA 0.535 4.885 4.350 0.000 0.000 0.291 547 T C -1.269 173.303 174.700 -0.212 0.000 1.045 547 T CA -0.938 61.144 62.100 -0.030 0.000 1.015 547 T CB 1.261 70.131 68.868 0.002 0.000 1.103 547 T HN 0.105 nan 8.240 nan 0.000 0.496 548 W N 1.015 122.357 121.300 0.070 0.000 2.936 548 W HA 0.595 5.255 4.660 0.000 0.000 0.338 548 W C 0.587 177.131 176.519 0.041 0.000 1.121 548 W CA -0.731 56.643 57.345 0.048 0.000 1.209 548 W CB 1.978 31.504 29.460 0.109 0.000 1.420 548 W HN 1.030 nan 8.180 nan 0.000 0.516 549 S N 1.623 117.320 115.700 -0.005 0.000 2.606 549 S HA 0.652 5.122 4.470 0.000 0.000 0.257 549 S C 0.368 174.779 174.600 -0.314 0.000 1.327 549 S CA -0.473 57.594 58.200 -0.222 0.000 0.984 549 S CB 0.577 63.304 63.200 -0.788 0.000 0.941 549 S HN 0.749 nan 8.310 nan 0.000 0.576 550 A N 1.444 123.918 122.820 -0.576 0.000 2.425 550 A HA 0.510 4.831 4.320 0.000 0.000 0.242 550 A C -2.396 174.848 177.584 -0.567 0.000 1.077 550 A CA -1.414 49.973 52.037 -1.084 0.000 0.781 550 A CB -1.020 17.588 19.000 -0.653 0.000 1.020 550 A HN 0.707 nan 8.150 nan 0.000 0.494 551 P HA 0.091 nan 4.420 nan 0.000 0.264 551 P C -0.759 176.279 177.300 -0.436 0.000 1.193 551 P CA 0.352 63.243 63.100 -0.348 0.000 0.763 551 P CB 0.426 31.865 31.700 -0.435 0.000 0.810 552 Q N 1.968 121.600 119.800 -0.281 0.000 2.256 552 Q HA 0.277 4.617 4.340 0.000 0.000 0.257 552 Q C -0.481 175.310 176.000 -0.348 0.000 0.936 552 Q CA -0.474 55.191 55.803 -0.231 0.000 0.903 552 Q CB 1.307 30.046 28.738 0.000 0.000 1.263 552 Q HN 0.362 nan 8.270 nan 0.000 0.440 553 D N 2.359 122.556 120.400 -0.338 0.000 2.347 553 D HA 0.186 4.826 4.640 0.000 0.000 0.235 553 D C 0.713 176.963 176.300 -0.082 0.000 1.149 553 D CA -0.392 53.473 54.000 -0.225 0.000 0.850 553 D CB 0.383 41.107 40.800 -0.127 0.000 1.061 553 D HN 0.627 nan 8.370 nan 0.000 0.487 554 I N 0.421 120.952 120.570 -0.066 0.000 3.860 554 I HA 0.073 4.243 4.170 0.000 0.000 0.319 554 I C 1.282 177.315 176.117 -0.140 0.000 1.279 554 I CA -0.316 60.913 61.300 -0.118 0.000 1.220 554 I CB -0.029 37.831 38.000 -0.232 0.000 1.027 554 I HN 0.094 nan 8.210 nan 0.000 0.428 555 T N 3.221 117.738 114.554 -0.062 0.000 2.620 555 T HA -0.130 4.221 4.350 0.000 0.000 0.267 555 T C -0.300 174.257 174.700 -0.238 0.000 1.044 555 T CA 2.431 64.482 62.100 -0.082 0.000 1.161 555 T CB -1.697 67.281 68.868 0.184 0.000 0.862 555 T HN 0.429 nan 8.240 nan 0.000 0.438 556 P HA 0.057 nan 4.420 nan 0.000 0.226 556 P C 1.288 178.414 177.300 -0.291 0.000 1.153 556 P CA 0.990 63.777 63.100 -0.522 0.000 0.777 556 P CB -0.233 30.987 31.700 -0.800 0.000 0.794 557 M N -0.724 118.737 119.600 -0.231 0.000 2.447 557 M HA -0.042 4.438 4.480 0.000 0.000 0.264 557 M C 1.785 177.989 176.300 -0.161 0.000 1.095 557 M CA 1.289 56.478 55.300 -0.184 0.000 1.125 557 M CB 0.002 32.505 32.600 -0.161 0.000 1.389 557 M HN -0.104 nan 8.290 nan 0.000 0.459 558 V N -4.110 115.705 119.914 -0.165 0.000 3.371 558 V HA 0.219 4.339 4.120 0.000 0.000 0.246 558 V C 0.684 176.675 176.094 -0.171 0.000 1.303 558 V CA -0.242 61.971 62.300 -0.143 0.000 1.156 558 V CB -0.249 31.484 31.823 -0.150 0.000 0.929 558 V HN 0.124 nan 8.190 nan 0.000 0.459 559 K N 2.319 122.594 120.400 -0.208 0.000 2.292 559 K HA 0.641 4.961 4.320 0.000 0.000 0.290 559 K C 0.344 176.787 176.600 -0.262 0.000 1.083 559 K CA 0.276 56.406 56.287 -0.262 0.000 0.918 559 K CB 0.801 33.154 32.500 -0.245 0.000 1.089 559 K HN 0.625 nan 8.250 nan 0.000 0.473 560 A N 3.632 126.232 122.820 -0.368 0.000 2.346 560 A HA 0.065 4.385 4.320 0.000 0.000 0.252 560 A C 0.531 177.882 177.584 -0.388 0.000 1.089 560 A CA -0.337 51.486 52.037 -0.358 0.000 0.797 560 A CB 0.280 19.023 19.000 -0.428 0.000 1.047 560 A HN 0.881 nan 8.150 nan 0.000 0.494 561 D N 0.284 120.574 120.400 -0.183 0.000 2.144 561 D HA -0.154 4.486 4.640 0.000 0.000 0.199 561 D C 1.771 178.054 176.300 -0.029 0.000 0.984 561 D CA 1.848 55.812 54.000 -0.060 0.000 0.834 561 D CB -0.220 40.609 40.800 0.047 0.000 0.955 561 D HN 0.881 nan 8.370 nan 0.000 0.465 562 W N 0.319 121.636 121.300 0.029 0.000 2.678 562 W HA 0.129 4.789 4.660 0.000 0.000 0.256 562 W C 0.345 176.883 176.519 0.033 0.000 1.280 562 W CA -0.394 56.970 57.345 0.032 0.000 1.345 562 W CB -0.787 28.698 29.460 0.042 0.000 1.118 562 W HN -0.136 nan 8.180 nan 0.000 0.629 563 M N 2.311 121.573 119.600 -0.563 0.000 2.238 563 M HA 0.040 4.520 4.480 0.000 0.000 0.350 563 M C 1.463 177.672 176.300 -0.152 0.000 1.321 563 M CA 0.682 55.663 55.300 -0.532 0.000 1.097 563 M CB 1.505 33.610 32.600 -0.824 0.000 1.713 563 M HN -0.102 nan 8.290 nan 0.000 0.455 564 K N 3.265 123.673 120.400 0.014 0.000 2.057 564 K HA 0.119 4.439 4.320 0.000 0.000 0.209 564 K C 0.043 176.676 176.600 0.055 0.000 1.028 564 K CA 0.502 56.806 56.287 0.028 0.000 0.950 564 K CB 0.272 32.805 32.500 0.055 0.000 0.784 564 K HN 0.516 nan 8.250 nan 0.000 0.448 565 F N 1.982 121.927 119.950 -0.007 0.000 2.394 565 F HA 0.435 4.962 4.527 0.000 0.000 0.340 565 F C -1.145 174.559 175.800 -0.159 0.000 1.105 565 F CA -1.173 56.801 58.000 -0.043 0.000 1.124 565 F CB 1.089 40.123 39.000 0.056 0.000 1.145 565 F HN 0.001 nan 8.300 nan 0.000 0.505 566 L N 6.215 126.867 121.223 -0.952 0.000 2.404 566 L HA 0.871 5.211 4.340 0.000 0.000 0.272 566 L C -0.817 175.276 176.870 -1.295 0.000 0.980 566 L CA 0.046 54.248 54.840 -1.064 0.000 0.836 566 L CB 1.534 43.250 42.059 -0.573 0.000 1.238 566 L HN 0.784 nan 8.230 nan 0.000 0.408 567 G N 3.183 111.106 108.800 -1.461 0.000 2.692 567 G HA2 0.574 4.534 3.960 0.000 0.000 0.291 567 G HA3 0.574 4.534 3.960 0.000 0.000 0.291 567 G C -1.162 173.589 174.900 -0.247 0.000 1.423 567 G CA -0.224 44.445 45.100 -0.718 0.000 0.843 567 G HN 0.824 nan 8.290 nan 0.000 0.486 568 V N -0.807 119.127 119.914 0.033 0.000 2.881 568 V HA 0.746 4.866 4.120 0.000 0.000 0.303 568 V C 0.954 177.262 176.094 0.356 0.000 1.070 568 V CA -0.045 62.346 62.300 0.151 0.000 1.074 568 V CB 1.227 33.116 31.823 0.110 0.000 1.012 568 V HN 1.219 nan 8.190 nan 0.000 0.482 569 G N 4.218 113.184 108.800 0.277 0.000 2.444 569 G HA2 0.512 4.472 3.960 0.000 0.000 0.303 569 G HA3 0.512 4.472 3.960 0.000 0.000 0.303 569 G C -2.048 172.946 174.900 0.156 0.000 1.032 569 G CA -0.994 44.217 45.100 0.184 0.000 1.137 569 G HN 0.759 nan 8.290 nan 0.000 0.430 570 P HA 0.414 nan 4.420 nan 0.000 0.272 570 P C 0.863 178.248 177.300 0.142 0.000 1.230 570 P CA 0.705 63.912 63.100 0.179 0.000 0.788 570 P CB 1.819 33.661 31.700 0.236 0.000 0.949 571 G N 0.706 109.596 108.800 0.150 0.000 2.178 571 G HA2 0.004 3.964 3.960 0.000 0.000 0.147 571 G HA3 0.004 3.964 3.960 0.000 0.000 0.147 571 G C -1.240 173.758 174.900 0.163 0.000 1.245 571 G CA -0.316 44.871 45.100 0.146 0.000 1.275 571 G HN 0.648 nan 8.290 nan 0.000 0.491 572 T N 0.709 115.364 114.554 0.169 0.000 2.886 572 T HA 0.690 5.040 4.350 0.000 0.000 0.292 572 T C 0.521 175.336 174.700 0.193 0.000 1.012 572 T CA 0.369 62.583 62.100 0.190 0.000 0.982 572 T CB 1.570 70.556 68.868 0.198 0.000 1.018 572 T HN 1.398 nan 8.240 nan 0.000 0.451 573 G N 1.374 110.300 108.800 0.209 0.000 2.557 573 G HA2 0.770 4.730 3.960 0.000 0.000 0.292 573 G HA3 0.770 4.730 3.960 0.000 0.000 0.292 573 G C -0.325 174.702 174.900 0.210 0.000 1.237 573 G CA -0.841 44.386 45.100 0.211 0.000 0.978 573 G HN 0.919 nan 8.290 nan 0.000 0.498 574 I N -3.353 117.339 120.570 0.202 0.000 3.108 574 I HA 0.809 4.979 4.170 0.000 0.000 0.312 574 I C -0.955 175.266 176.117 0.173 0.000 1.095 574 I CA -1.282 60.128 61.300 0.182 0.000 1.000 574 I CB 2.339 40.438 38.000 0.165 0.000 1.229 574 I HN 0.277 nan 8.210 nan 0.000 0.454 575 V N 3.341 123.343 119.914 0.147 0.000 2.604 575 V HA 0.385 4.505 4.120 0.000 0.000 0.305 575 V C -0.217 175.929 176.094 0.087 0.000 1.043 575 V CA -0.703 61.671 62.300 0.124 0.000 0.888 575 V CB 1.555 33.458 31.823 0.133 0.000 0.995 575 V HN 0.479 nan 8.190 nan 0.000 0.429 576 L N 5.375 126.637 121.223 0.066 0.000 2.462 576 L HA 0.317 4.657 4.340 0.000 0.000 0.272 576 L C 1.491 178.379 176.870 0.031 0.000 1.166 576 L CA 0.675 55.538 54.840 0.039 0.000 0.880 576 L CB 0.471 42.548 42.059 0.031 0.000 1.142 576 L HN 0.802 nan 8.230 nan 0.000 0.473 577 R N 0.937 121.443 120.500 0.011 0.000 2.373 577 R HA 0.279 4.619 4.340 0.000 0.000 0.221 577 R C -0.023 176.272 176.300 -0.008 0.000 0.893 577 R CA -0.237 55.867 56.100 0.006 0.000 1.049 577 R CB 0.184 30.484 30.300 -0.000 0.000 1.119 577 R HN 0.584 nan 8.270 nan 0.000 0.535 578 N N 0.089 118.779 118.700 -0.016 0.000 2.815 578 N HA 0.566 5.306 4.740 0.000 0.000 0.315 578 N C -0.421 175.078 175.510 -0.019 0.000 1.320 578 N CA -0.067 52.970 53.050 -0.021 0.000 0.846 578 N CB 1.134 39.603 38.487 -0.031 0.000 1.344 578 N HN 0.192 nan 8.380 nan 0.000 0.593 579 G N -0.019 108.764 108.800 -0.028 0.000 2.749 579 G HA2 -0.199 3.761 3.960 0.000 0.000 0.242 579 G HA3 -0.199 3.761 3.960 0.000 0.000 0.242 579 G C -1.961 172.891 174.900 -0.081 0.000 1.364 579 G CA -0.569 44.508 45.100 -0.039 0.000 0.888 579 G HN 0.530 nan 8.290 nan 0.000 0.566 580 P HA 0.156 nan 4.420 nan 0.000 0.245 580 P C 0.543 177.526 177.300 -0.528 0.000 1.212 580 P CA 1.020 63.927 63.100 -0.321 0.000 0.774 580 P CB 0.086 31.552 31.700 -0.391 0.000 0.999 581 H N -1.512 117.513 119.070 -0.074 0.000 2.575 581 H HA 0.177 4.733 4.556 0.000 0.000 0.256 581 H C 0.415 175.704 175.328 -0.065 0.000 1.162 581 H CA -0.532 55.465 56.048 -0.085 0.000 0.969 581 H CB 0.456 30.143 29.762 -0.125 0.000 1.796 581 H HN 0.158 nan 8.280 nan 0.000 0.607 582 K N 0.781 121.187 120.400 0.011 0.000 2.484 582 K HA 0.097 4.417 4.320 0.000 0.000 0.280 582 K C 1.023 177.630 176.600 0.012 0.000 1.013 582 K CA 1.337 57.631 56.287 0.011 0.000 1.029 582 K CB 0.230 32.728 32.500 -0.004 0.000 0.902 582 K HN 0.538 nan 8.250 nan 0.000 0.481 583 G N 3.352 112.166 108.800 0.024 0.000 2.232 583 G HA2 -0.277 3.683 3.960 0.000 0.000 0.226 583 G HA3 -0.277 3.683 3.960 0.000 0.000 0.226 583 G C 0.110 175.002 174.900 -0.014 0.000 0.996 583 G CA 0.126 45.234 45.100 0.014 0.000 0.626 583 G HN 0.701 nan 8.290 nan 0.000 0.509 584 R N 0.973 121.476 120.500 0.005 0.000 2.489 584 R HA 0.486 4.826 4.340 0.000 0.000 0.287 584 R C 0.107 176.437 176.300 0.051 0.000 1.053 584 R CA -0.207 55.901 56.100 0.014 0.000 1.036 584 R CB 0.004 30.312 30.300 0.013 0.000 0.966 584 R HN 0.304 nan 8.270 nan 0.000 0.432 585 I N 5.608 126.208 120.570 0.051 0.000 2.315 585 I HA 0.154 4.324 4.170 0.000 0.000 0.291 585 I C -0.630 175.636 176.117 0.248 0.000 1.006 585 I CA -0.770 60.608 61.300 0.130 0.000 1.265 585 I CB 1.287 39.333 38.000 0.078 0.000 1.387 585 I HN 0.396 nan 8.210 nan 0.000 0.475 586 L N 7.978 129.345 121.223 0.240 0.000 2.280 586 L HA 0.446 4.786 4.340 0.000 0.000 0.287 586 L C -0.377 176.645 176.870 0.253 0.000 1.023 586 L CA -0.225 54.770 54.840 0.257 0.000 0.819 586 L CB 1.072 43.249 42.059 0.196 0.000 1.212 586 L HN 0.366 nan 8.230 nan 0.000 0.420 587 I N 5.882 126.603 120.570 0.251 0.000 2.354 587 I HA 0.353 4.523 4.170 0.000 0.000 0.286 587 I C -2.263 173.946 176.117 0.153 0.000 1.007 587 I CA -2.381 59.014 61.300 0.158 0.000 1.167 587 I CB 1.420 39.430 38.000 0.016 0.000 1.320 587 I HN 0.294 nan 8.210 nan 0.000 0.458 588 P HA 0.206 nan 4.420 nan 0.000 0.271 588 P C -0.368 177.019 177.300 0.145 0.000 1.220 588 P CA 0.058 63.253 63.100 0.158 0.000 0.768 588 P CB 0.945 32.733 31.700 0.147 0.000 0.848 589 V N 1.477 121.484 119.914 0.156 0.000 3.167 589 V HA 0.865 4.986 4.120 0.000 0.000 0.310 589 V C -1.554 174.708 176.094 0.279 0.000 1.207 589 V CA -1.136 61.263 62.300 0.165 0.000 1.059 589 V CB 2.019 33.843 31.823 0.001 0.000 1.079 589 V HN 0.524 nan 8.190 nan 0.000 0.446 590 Y N -1.067 119.216 120.300 -0.028 0.000 2.544 590 Y HA 0.916 5.466 4.550 0.000 0.000 0.342 590 Y C -0.442 175.436 175.900 -0.037 0.000 1.062 590 Y CA -0.598 57.518 58.100 0.026 0.000 1.023 590 Y CB 1.132 39.662 38.460 0.117 0.000 1.308 590 Y HN 1.080 nan 8.280 nan 0.000 0.457 591 T N -0.626 113.976 114.554 0.081 0.000 2.932 591 T HA 0.795 5.145 4.350 0.000 0.000 0.289 591 T C -0.225 174.635 174.700 0.267 0.000 1.039 591 T CA -0.297 61.822 62.100 0.032 0.000 1.024 591 T CB 1.700 70.625 68.868 0.096 0.000 1.090 591 T HN 1.136 nan 8.240 nan 0.000 0.496 592 T N -0.350 114.400 114.554 0.326 0.000 2.940 592 T HA 0.725 5.075 4.350 0.000 0.000 0.288 592 T C -0.402 174.570 174.700 0.453 0.000 1.045 592 T CA -0.931 61.414 62.100 0.407 0.000 1.018 592 T CB 1.362 70.540 68.868 0.518 0.000 1.151 592 T HN 0.942 nan 8.240 nan 0.000 0.529 593 N N -0.061 118.891 118.700 0.420 0.000 2.545 593 N HA 0.390 5.130 4.740 0.000 0.000 0.289 593 N C 0.082 175.755 175.510 0.272 0.000 1.279 593 N CA -1.133 52.165 53.050 0.412 0.000 0.824 593 N CB 0.455 39.124 38.487 0.305 0.000 1.395 593 N HN 0.501 nan 8.380 nan 0.000 0.526 594 N N -0.740 118.088 118.700 0.213 0.000 2.412 594 N HA 0.027 4.767 4.740 0.000 0.000 0.184 594 N C 0.977 176.550 175.510 0.105 0.000 1.101 594 N CA 0.272 53.398 53.050 0.126 0.000 0.881 594 N CB 0.112 38.660 38.487 0.102 0.000 0.969 594 N HN 0.337 nan 8.380 nan 0.000 0.459 595 V N 0.590 120.569 119.914 0.108 0.000 2.323 595 V HA -0.105 4.015 4.120 0.000 0.000 0.244 595 V C 1.934 178.082 176.094 0.091 0.000 1.041 595 V CA 2.076 64.422 62.300 0.078 0.000 1.025 595 V CB -0.179 31.675 31.823 0.052 0.000 0.656 595 V HN 0.410 nan 8.190 nan 0.000 0.451 596 S N -3.467 112.307 115.700 0.124 0.000 2.744 596 S HA 0.175 4.645 4.470 0.000 0.000 0.265 596 S C 0.767 175.481 174.600 0.190 0.000 1.065 596 S CA 0.493 58.769 58.200 0.127 0.000 1.191 596 S CB 0.232 63.484 63.200 0.088 0.000 1.150 596 S HN 0.634 nan 8.310 nan 0.000 0.646 597 H N 2.313 121.443 119.070 0.099 0.000 1.452 597 H HA -0.277 4.279 4.556 0.000 0.000 0.090 597 H C 0.869 176.261 175.328 0.108 0.000 0.985 597 H CA 2.052 58.164 56.048 0.107 0.000 1.901 597 H CB -1.360 28.450 29.762 0.080 0.000 2.257 597 H HN 0.278 nan 8.280 nan 0.000 0.961 598 L N 0.291 121.265 121.223 -0.414 0.000 2.275 598 L HA -0.091 4.249 4.340 0.000 0.000 0.215 598 L C 2.079 178.923 176.870 -0.043 0.000 1.119 598 L CA 1.304 55.967 54.840 -0.295 0.000 0.790 598 L CB -0.469 41.378 42.059 -0.353 0.000 0.919 598 L HN 0.464 nan 8.230 nan 0.000 0.443 599 N N 0.002 118.706 118.700 0.007 0.000 2.354 599 N HA -0.049 4.691 4.740 0.000 0.000 0.179 599 N C 1.407 176.935 175.510 0.031 0.000 1.021 599 N CA 1.367 54.434 53.050 0.029 0.000 0.887 599 N CB 0.222 38.734 38.487 0.042 0.000 0.974 599 N HN 0.341 nan 8.380 nan 0.000 0.437 600 G N -0.909 107.922 108.800 0.051 0.000 4.818 600 G HA2 0.058 4.018 3.960 0.000 0.000 0.253 600 G HA3 0.058 4.018 3.960 0.000 0.000 0.253 600 G C 0.478 175.421 174.900 0.072 0.000 0.986 600 G CA 0.303 45.433 45.100 0.050 0.000 0.785 600 G HN 0.312 nan 8.290 nan 0.000 0.325 601 S N -0.858 114.905 115.700 0.105 0.000 2.687 601 S HA 0.214 4.684 4.470 0.000 0.000 0.247 601 S C 0.543 175.252 174.600 0.183 0.000 1.050 601 S CA -0.173 58.111 58.200 0.139 0.000 1.063 601 S CB 0.073 63.380 63.200 0.178 0.000 1.039 601 S HN 0.223 nan 8.310 nan 0.000 0.580 602 Q N 2.174 122.092 119.800 0.197 0.000 2.339 602 Q HA 0.228 4.568 4.340 0.000 0.000 0.308 602 Q C -0.878 175.261 176.000 0.233 0.000 1.097 602 Q CA 0.401 56.375 55.803 0.285 0.000 1.007 602 Q CB 0.221 29.150 28.738 0.318 0.000 1.051 602 Q HN 0.316 nan 8.270 nan 0.000 0.381 603 S N 1.878 117.735 115.700 0.263 0.000 2.647 603 S HA 0.291 4.761 4.470 0.000 0.000 0.300 603 S C -0.693 174.012 174.600 0.175 0.000 1.129 603 S CA -0.741 57.560 58.200 0.169 0.000 1.029 603 S CB 1.784 65.073 63.200 0.149 0.000 1.007 603 S HN 0.435 nan 8.310 nan 0.000 0.484 604 S N 3.491 119.234 115.700 0.071 0.000 2.548 604 S HA 0.581 5.051 4.470 0.000 0.000 0.277 604 S C 0.437 175.027 174.600 -0.016 0.000 1.315 604 S CA -0.644 57.574 58.200 0.030 0.000 1.050 604 S CB 0.393 63.536 63.200 -0.095 0.000 0.918 604 S HN 0.817 nan 8.310 nan 0.000 0.497 605 R N 0.523 121.070 120.500 0.078 0.000 2.829 605 R HA 0.712 5.052 4.340 0.000 0.000 0.267 605 R C -1.643 174.800 176.300 0.239 0.000 1.051 605 R CA -0.945 55.263 56.100 0.181 0.000 0.927 605 R CB 0.456 30.896 30.300 0.234 0.000 1.292 605 R HN 0.501 nan 8.270 nan 0.000 0.445 606 I N -0.894 119.885 120.570 0.348 0.000 2.846 606 I HA 0.642 4.812 4.170 0.000 0.000 0.307 606 I C -0.194 176.096 176.117 0.287 0.000 1.053 606 I CA -1.277 60.202 61.300 0.299 0.000 1.050 606 I CB 1.830 40.034 38.000 0.341 0.000 1.239 606 I HN 0.722 nan 8.210 nan 0.000 0.439 607 I N 1.675 122.390 120.570 0.241 0.000 2.648 607 I HA 0.824 4.994 4.170 0.000 0.000 0.304 607 I C -1.281 175.100 176.117 0.440 0.000 1.009 607 I CA -0.809 60.644 61.300 0.255 0.000 1.114 607 I CB 1.997 40.031 38.000 0.057 0.000 1.293 607 I HN 0.856 nan 8.210 nan 0.000 0.449 608 Y N 1.744 122.264 120.300 0.365 0.000 2.615 608 Y HA 0.795 5.345 4.550 0.000 0.000 0.341 608 Y C -1.003 174.941 175.900 0.072 0.000 1.089 608 Y CA -1.316 56.951 58.100 0.278 0.000 1.049 608 Y CB 1.398 39.918 38.460 0.100 0.000 1.296 608 Y HN 0.665 nan 8.280 nan 0.000 0.470 609 S N 0.609 116.201 115.700 -0.180 0.000 2.614 609 S HA 0.375 4.845 4.470 0.000 0.000 0.288 609 S C -1.054 173.379 174.600 -0.278 0.000 1.137 609 S CA -0.618 57.205 58.200 -0.627 0.000 0.992 609 S CB 0.881 63.143 63.200 -1.565 0.000 1.026 609 S HN 0.767 nan 8.310 nan 0.000 0.486 610 D N 2.338 122.630 120.400 -0.180 0.000 2.369 610 D HA 0.132 4.772 4.640 0.000 0.000 0.211 610 D C 0.007 176.135 176.300 -0.288 0.000 1.077 610 D CA 0.292 54.209 54.000 -0.139 0.000 0.842 610 D CB 0.493 41.297 40.800 0.007 0.000 0.947 610 D HN 0.735 nan 8.370 nan 0.000 0.509 611 D N -0.861 119.323 120.400 -0.359 0.000 2.804 611 D HA -0.006 4.634 4.640 0.000 0.000 0.308 611 D C -0.137 175.995 176.300 -0.280 0.000 1.371 611 D CA -0.605 53.194 54.000 -0.334 0.000 0.823 611 D CB -0.630 40.070 40.800 -0.168 0.000 1.126 611 D HN 0.004 nan 8.370 nan 0.000 0.467 612 H N 0.000 118.972 119.070 -0.165 0.000 2.880 612 H HA -0.102 4.454 4.556 0.000 0.000 0.304 612 H C 1.332 176.585 175.328 -0.126 0.000 1.259 612 H CA 0.856 56.853 56.048 -0.085 0.000 1.153 612 H CB -1.776 27.985 29.762 -0.002 0.000 1.395 612 H HN 0.689 nan 8.280 nan 0.000 0.420 613 G N -0.331 108.184 108.800 -0.475 0.000 2.143 613 G HA2 -0.390 3.570 3.960 0.000 0.000 0.249 613 G HA3 -0.390 3.570 3.960 0.000 0.000 0.249 613 G C 1.063 175.706 174.900 -0.428 0.000 0.981 613 G CA 1.008 45.628 45.100 -0.800 0.000 0.665 613 G HN 0.578 nan 8.290 nan 0.000 0.528 614 K N 0.349 120.547 120.400 -0.336 0.000 1.980 614 K HA 0.057 4.377 4.320 0.000 0.000 0.208 614 K C 1.584 178.023 176.600 -0.267 0.000 1.043 614 K CA 1.751 57.923 56.287 -0.191 0.000 0.938 614 K CB -0.201 32.225 32.500 -0.123 0.000 0.724 614 K HN 0.626 nan 8.250 nan 0.000 0.438 615 T N -1.959 112.343 114.554 -0.420 0.000 2.925 615 T HA 0.449 4.799 4.350 0.000 0.000 0.285 615 T C -0.885 173.356 174.700 -0.765 0.000 1.021 615 T CA -0.908 60.937 62.100 -0.425 0.000 1.042 615 T CB 1.048 69.723 68.868 -0.322 0.000 1.037 615 T HN 0.214 nan 8.240 nan 0.000 0.481 616 W N 0.240 121.233 121.300 -0.511 0.000 2.864 616 W HA 0.596 5.257 4.660 0.000 0.000 0.343 616 W C 0.107 176.098 176.519 -0.880 0.000 1.109 616 W CA -0.725 56.284 57.345 -0.560 0.000 1.192 616 W CB 1.552 30.795 29.460 -0.362 0.000 1.426 616 W HN 0.695 nan 8.180 nan 0.000 0.529 617 H N 0.636 119.476 119.070 -0.384 0.000 2.821 617 H HA 0.684 5.240 4.556 0.000 0.000 0.373 617 H C -0.771 174.354 175.328 -0.337 0.000 1.165 617 H CA -1.063 54.709 56.048 -0.461 0.000 1.154 617 H CB 1.826 31.169 29.762 -0.699 0.000 1.765 617 H HN 0.518 nan 8.280 nan 0.000 0.549 618 A N 1.332 124.177 122.820 0.040 0.000 2.301 618 A HA 0.553 4.873 4.320 0.000 0.000 0.298 618 A C 0.763 178.526 177.584 0.299 0.000 1.185 618 A CA -0.011 52.108 52.037 0.137 0.000 0.830 618 A CB 0.381 19.427 19.000 0.076 0.000 1.112 618 A HN 0.748 nan 8.150 nan 0.000 0.508 619 G N 1.098 110.117 108.800 0.365 0.000 2.599 619 G HA2 0.464 4.424 3.960 0.000 0.000 0.264 619 G HA3 0.464 4.424 3.960 0.000 0.000 0.264 619 G C -0.151 174.906 174.900 0.262 0.000 1.200 619 G CA -0.543 44.741 45.100 0.307 0.000 0.896 619 G HN 0.803 nan 8.290 nan 0.000 0.536 620 E N -0.355 119.977 120.200 0.220 0.000 2.390 620 E HA 0.390 4.740 4.350 0.000 0.000 0.261 620 E C 0.607 177.423 176.600 0.361 0.000 1.076 620 E CA -0.271 56.272 56.400 0.239 0.000 0.905 620 E CB 1.037 30.841 29.700 0.173 0.000 0.984 620 E HN 0.563 nan 8.360 nan 0.000 0.427 621 A N 2.003 124.961 122.820 0.230 0.000 2.386 621 A HA 0.071 4.391 4.320 0.000 0.000 0.248 621 A C 1.253 178.901 177.584 0.107 0.000 1.082 621 A CA -0.507 51.620 52.037 0.151 0.000 0.789 621 A CB 0.527 19.563 19.000 0.060 0.000 1.025 621 A HN 0.518 nan 8.150 nan 0.000 0.490 622 V N 1.701 121.500 119.914 -0.191 0.000 2.407 622 V HA -0.196 3.924 4.120 0.000 0.000 0.248 622 V C 1.709 177.745 176.094 -0.097 0.000 1.055 622 V CA 2.176 64.284 62.300 -0.320 0.000 1.049 622 V CB -0.834 30.660 31.823 -0.549 0.000 0.662 622 V HN 0.846 nan 8.190 nan 0.000 0.455 623 N N -0.140 118.509 118.700 -0.084 0.000 2.521 623 N HA -0.022 4.719 4.740 0.000 0.000 0.188 623 N C 0.083 175.533 175.510 -0.100 0.000 1.146 623 N CA 0.347 53.357 53.050 -0.066 0.000 0.893 623 N CB -0.241 38.217 38.487 -0.048 0.000 0.975 623 N HN 0.480 nan 8.380 nan 0.000 0.451 624 D N 1.018 121.344 120.400 -0.122 0.000 2.343 624 D HA 0.045 4.686 4.640 0.000 0.000 0.255 624 D C 0.552 176.834 176.300 -0.030 0.000 1.187 624 D CA 0.028 53.899 54.000 -0.216 0.000 0.875 624 D CB 0.291 40.944 40.800 -0.246 0.000 1.136 624 D HN -0.014 nan 8.370 nan 0.000 0.469 625 N N 1.719 120.433 118.700 0.022 0.000 2.727 625 N HA -0.253 4.487 4.740 0.000 0.000 0.249 625 N C -0.718 174.813 175.510 0.034 0.000 1.048 625 N CA 0.383 53.467 53.050 0.055 0.000 0.714 625 N CB -0.613 37.917 38.487 0.073 0.000 0.959 625 N HN 0.419 nan 8.380 nan 0.000 0.544 626 R N 1.121 121.631 120.500 0.017 0.000 2.207 626 R HA 0.230 4.570 4.340 0.000 0.000 0.334 626 R C -0.187 176.119 176.300 0.009 0.000 1.013 626 R CA -0.618 55.489 56.100 0.012 0.000 0.858 626 R CB 0.633 30.932 30.300 -0.003 0.000 1.094 626 R HN 0.293 nan 8.270 nan 0.000 0.457 627 Q N 3.639 123.445 119.800 0.010 0.000 2.262 627 Q HA 0.182 4.522 4.340 0.000 0.000 0.272 627 Q C -1.473 174.527 176.000 0.000 0.000 1.076 627 Q CA 0.147 55.954 55.803 0.006 0.000 0.905 627 Q CB 1.008 29.750 28.738 0.007 0.000 1.182 627 Q HN 0.410 nan 8.270 nan 0.000 0.390 628 V N 4.851 124.764 119.914 -0.001 0.000 2.668 628 V HA 0.293 4.413 4.120 0.000 0.000 0.304 628 V C -1.395 174.697 176.094 -0.004 0.000 1.071 628 V CA -0.393 61.904 62.300 -0.005 0.000 0.894 628 V CB 1.888 33.706 31.823 -0.007 0.000 1.008 628 V HN 1.006 nan 8.190 nan 0.000 0.425 629 D N 4.715 125.111 120.400 -0.005 0.000 2.723 629 D HA -0.155 4.485 4.640 0.000 0.000 0.236 629 D C 1.154 177.453 176.300 -0.003 0.000 1.138 629 D CA 2.060 56.057 54.000 -0.005 0.000 0.676 629 D CB -1.353 39.444 40.800 -0.005 0.000 1.069 629 D HN 1.743 nan 8.370 nan 0.000 0.430 630 G N -1.468 107.330 108.800 -0.002 0.000 2.363 630 G HA2 -0.345 3.615 3.960 0.000 0.000 0.238 630 G HA3 -0.345 3.615 3.960 0.000 0.000 0.238 630 G C 0.247 175.148 174.900 0.001 0.000 1.062 630 G CA 0.501 45.601 45.100 -0.001 0.000 0.629 630 G HN 0.427 nan 8.290 nan 0.000 0.514 631 Q N 0.665 120.466 119.800 0.001 0.000 2.205 631 Q HA 0.598 4.939 4.340 0.000 0.000 0.249 631 Q C -0.059 175.944 176.000 0.005 0.000 0.948 631 Q CA -0.313 55.492 55.803 0.003 0.000 0.895 631 Q CB 1.295 30.034 28.738 0.002 0.000 1.249 631 Q HN 0.486 nan 8.270 nan 0.000 0.458 632 K N 1.831 122.237 120.400 0.009 0.000 2.211 632 K HA 0.472 4.792 4.320 0.000 0.000 0.275 632 K C 0.196 176.807 176.600 0.019 0.000 1.024 632 K CA -0.266 56.030 56.287 0.015 0.000 0.887 632 K CB 0.835 33.347 32.500 0.020 0.000 1.084 632 K HN 0.523 nan 8.250 nan 0.000 0.463 633 I N -1.727 118.855 120.570 0.020 0.000 2.982 633 I HA 0.500 4.670 4.170 0.000 0.000 0.312 633 I C -0.276 175.875 176.117 0.056 0.000 1.041 633 I CA -0.838 60.478 61.300 0.026 0.000 1.053 633 I CB 1.730 39.736 38.000 0.009 0.000 1.248 633 I HN 0.514 nan 8.210 nan 0.000 0.471 634 H N 1.108 120.138 119.070 -0.067 0.000 2.821 634 H HA 0.272 4.828 4.556 0.000 0.000 0.373 634 H C 0.345 175.591 175.328 -0.137 0.000 1.165 634 H CA 0.036 56.024 56.048 -0.100 0.000 1.154 634 H CB 2.552 32.222 29.762 -0.153 0.000 1.765 634 H HN 0.865 nan 8.280 nan 0.000 0.549 635 S N 1.640 117.147 115.700 -0.321 0.000 2.419 635 S HA -0.198 4.272 4.470 0.000 0.000 0.233 635 S C 1.890 176.324 174.600 -0.277 0.000 1.016 635 S CA 1.409 59.521 58.200 -0.147 0.000 0.974 635 S CB -0.338 62.854 63.200 -0.014 0.000 0.786 635 S HN 0.580 nan 8.310 nan 0.000 0.492 636 S N 1.589 116.977 115.700 -0.521 0.000 2.461 636 S HA -0.038 4.432 4.470 0.000 0.000 0.228 636 S C 1.707 176.064 174.600 -0.405 0.000 1.005 636 S CA 1.038 58.551 58.200 -1.145 0.000 0.942 636 S CB -0.801 61.333 63.200 -1.776 0.000 0.776 636 S HN 0.811 nan 8.310 nan 0.000 0.514 637 T N -0.638 113.802 114.554 -0.191 0.000 3.004 637 T HA 0.395 4.745 4.350 0.000 0.000 0.266 637 T C 0.640 175.323 174.700 -0.029 0.000 0.986 637 T CA -0.364 61.678 62.100 -0.098 0.000 0.902 637 T CB -0.433 68.371 68.868 -0.107 0.000 1.118 637 T HN 0.566 nan 8.240 nan 0.000 0.522 638 M N 1.597 121.189 119.600 -0.013 0.000 2.248 638 M HA 0.478 4.958 4.480 0.000 0.000 0.337 638 M C -0.427 175.889 176.300 0.028 0.000 1.121 638 M CA 0.051 55.357 55.300 0.010 0.000 1.155 638 M CB 0.181 32.789 32.600 0.014 0.000 1.514 638 M HN -0.025 nan 8.290 nan 0.000 0.452 639 N N 2.980 121.694 118.700 0.024 0.000 2.727 639 N HA 0.322 5.063 4.740 0.000 0.000 0.252 639 N C -2.136 173.387 175.510 0.021 0.000 1.283 639 N CA -0.283 52.785 53.050 0.030 0.000 0.782 639 N CB 0.612 39.116 38.487 0.028 0.000 1.199 639 N HN 0.831 nan 8.380 nan 0.000 0.520 640 N N 1.864 120.576 118.700 0.021 0.000 2.594 640 N HA 0.181 4.921 4.740 0.000 0.000 0.280 640 N C 0.565 176.079 175.510 0.007 0.000 1.156 640 N CA -0.230 52.826 53.050 0.010 0.000 0.831 640 N CB 1.303 39.794 38.487 0.006 0.000 1.379 640 N HN 0.442 nan 8.380 nan 0.000 0.536 641 R N 2.295 122.793 120.500 -0.002 0.000 2.083 641 R HA -0.014 4.326 4.340 0.000 0.000 0.237 641 R C 1.304 177.585 176.300 -0.032 0.000 1.137 641 R CA 1.575 57.664 56.100 -0.018 0.000 0.951 641 R CB 0.240 30.520 30.300 -0.032 0.000 0.851 641 R HN 0.484 nan 8.270 nan 0.000 0.434 642 R N -0.632 119.850 120.500 -0.031 0.000 2.148 642 R HA 0.008 4.348 4.340 0.000 0.000 0.223 642 R C 1.988 178.276 176.300 -0.020 0.000 1.088 642 R CA 0.971 57.050 56.100 -0.035 0.000 0.985 642 R CB -0.038 30.243 30.300 -0.031 0.000 0.880 642 R HN 0.217 nan 8.270 nan 0.000 0.451 643 A N 0.986 123.800 122.820 -0.010 0.000 2.235 643 A HA -0.025 4.295 4.320 0.000 0.000 0.208 643 A C 0.580 178.167 177.584 0.005 0.000 1.172 643 A CA 0.120 52.154 52.037 -0.006 0.000 0.786 643 A CB -0.054 18.944 19.000 -0.004 0.000 0.804 643 A HN 0.280 nan 8.150 nan 0.000 0.479 644 Q N 0.572 120.383 119.800 0.018 0.000 2.395 644 Q HA 0.258 4.598 4.340 0.000 0.000 0.271 644 Q C -0.914 175.113 176.000 0.047 0.000 1.026 644 Q CA 0.358 56.191 55.803 0.049 0.000 0.900 644 Q CB 0.294 29.076 28.738 0.073 0.000 1.266 644 Q HN 0.753 nan 8.270 nan 0.000 0.430 645 N N -0.676 118.056 118.700 0.053 0.000 2.454 645 N HA 0.282 5.022 4.740 0.000 0.000 0.291 645 N C -0.686 174.838 175.510 0.025 0.000 1.079 645 N CA -0.655 52.407 53.050 0.020 0.000 0.893 645 N CB 1.742 40.204 38.487 -0.043 0.000 1.512 645 N HN 0.561 nan 8.380 nan 0.000 0.497 646 T N -0.743 113.776 114.554 -0.058 0.000 2.124 646 T HA 0.347 4.697 4.350 0.000 0.000 0.184 646 T C 0.151 174.504 174.700 -0.580 0.000 0.688 646 T CA -0.281 61.641 62.100 -0.296 0.000 1.680 646 T CB -0.615 68.060 68.868 -0.321 0.000 3.188 646 T HN 0.417 nan 8.240 nan 0.000 0.398 647 E N 1.736 121.456 120.200 -0.800 0.000 2.437 647 E HA 0.421 4.771 4.350 0.000 0.000 0.263 647 E C -0.318 176.154 176.600 -0.212 0.000 1.030 647 E CA -0.077 56.033 56.400 -0.484 0.000 0.934 647 E CB 0.465 29.933 29.700 -0.386 0.000 0.943 647 E HN 0.721 nan 8.360 nan 0.000 0.444 648 S N 0.940 116.590 115.700 -0.082 0.000 2.579 648 S HA 0.555 5.025 4.470 0.000 0.000 0.272 648 S C -0.753 173.892 174.600 0.075 0.000 1.141 648 S CA -1.023 57.178 58.200 0.001 0.000 0.843 648 S CB 2.140 65.335 63.200 -0.008 0.000 1.122 648 S HN 0.408 nan 8.310 nan 0.000 0.468 649 T N 0.081 114.729 114.554 0.157 0.000 2.893 649 T HA 0.710 5.060 4.350 0.000 0.000 0.291 649 T C -1.452 173.435 174.700 0.312 0.000 1.028 649 T CA -0.574 61.654 62.100 0.213 0.000 0.995 649 T CB 1.505 70.484 68.868 0.185 0.000 1.051 649 T HN 1.110 nan 8.240 nan 0.000 0.470 650 V N 5.625 125.706 119.914 0.277 0.000 2.656 650 V HA 0.879 4.999 4.120 0.000 0.000 0.307 650 V C -0.854 175.410 176.094 0.283 0.000 1.051 650 V CA -0.375 62.089 62.300 0.274 0.000 0.893 650 V CB 1.628 33.593 31.823 0.237 0.000 0.999 650 V HN 0.966 nan 8.190 nan 0.000 0.426 651 V N 3.475 123.563 119.914 0.290 0.000 2.841 651 V HA 0.646 4.766 4.120 0.000 0.000 0.310 651 V C -0.786 175.421 176.094 0.187 0.000 1.090 651 V CA -0.716 61.744 62.300 0.267 0.000 0.930 651 V CB 1.736 33.776 31.823 0.362 0.000 1.014 651 V HN 0.939 nan 8.190 nan 0.000 0.425 652 Q N 2.028 121.899 119.800 0.119 0.000 2.241 652 Q HA 0.578 4.918 4.340 0.000 0.000 0.254 652 Q C -1.376 174.617 176.000 -0.011 0.000 0.917 652 Q CA -0.801 55.026 55.803 0.040 0.000 0.919 652 Q CB 1.820 30.553 28.738 -0.008 0.000 1.237 652 Q HN 0.750 nan 8.270 nan 0.000 0.434 653 L N 2.571 123.809 121.223 0.025 0.000 2.454 653 L HA 0.178 4.518 4.340 0.000 0.000 0.256 653 L C 1.245 178.089 176.870 -0.043 0.000 1.136 653 L CA 0.167 55.037 54.840 0.049 0.000 0.804 653 L CB 0.395 42.504 42.059 0.083 0.000 1.181 653 L HN 0.664 nan 8.230 nan 0.000 0.469 654 N N 0.755 119.462 118.700 0.011 0.000 2.459 654 N HA -0.117 4.624 4.740 0.000 0.000 0.181 654 N C 0.952 176.461 175.510 -0.002 0.000 1.046 654 N CA 0.656 53.701 53.050 -0.008 0.000 0.904 654 N CB -0.246 38.272 38.487 0.051 0.000 0.964 654 N HN 0.633 nan 8.380 nan 0.000 0.444 655 N N -0.212 118.493 118.700 0.008 0.000 2.467 655 N HA 0.041 4.781 4.740 0.000 0.000 0.184 655 N C 1.118 176.624 175.510 -0.007 0.000 1.106 655 N CA 0.965 54.016 53.050 0.001 0.000 0.892 655 N CB -0.087 38.403 38.487 0.006 0.000 0.969 655 N HN 0.161 nan 8.380 nan 0.000 0.454 656 G N -0.861 107.932 108.800 -0.011 0.000 2.195 656 G HA2 -0.225 3.735 3.960 0.000 0.000 0.224 656 G HA3 -0.225 3.735 3.960 0.000 0.000 0.224 656 G C -0.712 174.179 174.900 -0.015 0.000 0.990 656 G CA -0.010 45.081 45.100 -0.015 0.000 0.639 656 G HN 0.422 nan 8.290 nan 0.000 0.514 657 D N 0.247 120.643 120.400 -0.006 0.000 2.372 657 D HA 0.483 5.123 4.640 0.000 0.000 0.243 657 D C 0.441 176.746 176.300 0.009 0.000 1.121 657 D CA 0.137 54.135 54.000 -0.003 0.000 0.898 657 D CB 1.784 42.593 40.800 0.015 0.000 1.202 657 D HN 0.155 nan 8.370 nan 0.000 0.428 658 V N 3.516 123.432 119.914 0.004 0.000 2.398 658 V HA 0.256 4.376 4.120 0.000 0.000 0.286 658 V C 0.245 176.418 176.094 0.132 0.000 1.026 658 V CA -0.686 61.645 62.300 0.051 0.000 0.868 658 V CB 1.477 33.291 31.823 -0.015 0.000 0.982 658 V HN 0.283 nan 8.190 nan 0.000 0.443 659 K N 4.173 124.637 120.400 0.108 0.000 2.182 659 K HA 0.631 4.951 4.320 0.000 0.000 0.262 659 K C -1.214 175.339 176.600 -0.078 0.000 0.957 659 K CA -0.791 55.481 56.287 -0.026 0.000 0.842 659 K CB 2.558 34.957 32.500 -0.168 0.000 1.099 659 K HN 0.442 nan 8.250 nan 0.000 0.438 660 L N 3.833 124.929 121.223 -0.212 0.000 2.372 660 L HA 0.421 4.762 4.340 0.000 0.000 0.273 660 L C -1.452 175.227 176.870 -0.319 0.000 0.989 660 L CA -0.381 54.342 54.840 -0.195 0.000 0.841 660 L CB 0.478 42.359 42.059 -0.295 0.000 1.225 660 L HN 0.392 nan 8.230 nan 0.000 0.414 661 F N 5.753 125.729 119.950 0.043 0.000 2.390 661 F HA 0.493 5.020 4.527 0.000 0.000 0.361 661 F C 0.288 176.078 175.800 -0.016 0.000 1.124 661 F CA -0.292 57.733 58.000 0.042 0.000 1.149 661 F CB 0.664 39.711 39.000 0.077 0.000 1.160 661 F HN 0.277 nan 8.300 nan 0.000 0.501 662 M N 3.850 123.501 119.600 0.085 0.000 2.205 662 M HA 0.381 4.861 4.480 0.000 0.000 0.344 662 M C 0.104 176.408 176.300 0.006 0.000 1.085 662 M CA -0.687 54.612 55.300 -0.003 0.000 1.001 662 M CB 1.879 34.437 32.600 -0.069 0.000 1.626 662 M HN 0.479 nan 8.290 nan 0.000 0.442 663 R N 2.001 122.472 120.500 -0.048 0.000 2.458 663 R HA 0.429 4.770 4.340 0.000 0.000 0.303 663 R C -0.331 176.002 176.300 0.054 0.000 1.013 663 R CA 0.329 56.399 56.100 -0.050 0.000 1.026 663 R CB 0.231 30.411 30.300 -0.201 0.000 0.948 663 R HN 0.942 nan 8.270 nan 0.000 0.417 664 G N 2.509 111.398 108.800 0.148 0.000 3.022 664 G HA2 0.436 4.396 3.960 0.000 0.000 0.284 664 G HA3 0.436 4.396 3.960 0.000 0.000 0.284 664 G C -0.519 174.503 174.900 0.203 0.000 1.375 664 G CA -0.790 44.413 45.100 0.172 0.000 0.902 664 G HN 0.549 nan 8.290 nan 0.000 0.538 665 L N 0.755 121.998 121.223 0.033 0.000 3.066 665 L HA 0.206 4.546 4.340 0.000 0.000 0.265 665 L C 2.117 178.959 176.870 -0.046 0.000 1.232 665 L CA 0.385 55.175 54.840 -0.084 0.000 1.031 665 L CB 0.822 42.739 42.059 -0.236 0.000 1.379 665 L HN 0.724 nan 8.230 nan 0.000 0.563 666 T N -4.876 109.672 114.554 -0.009 0.000 3.057 666 T HA 0.170 4.521 4.350 0.000 0.000 0.254 666 T C 1.637 176.332 174.700 -0.009 0.000 1.094 666 T CA 0.682 62.774 62.100 -0.014 0.000 1.088 666 T CB 0.570 69.431 68.868 -0.012 0.000 0.934 666 T HN 0.368 nan 8.240 nan 0.000 0.497 667 G N 1.006 109.809 108.800 0.005 0.000 2.234 667 G HA2 -0.214 3.747 3.960 0.000 0.000 0.260 667 G HA3 -0.214 3.747 3.960 0.000 0.000 0.260 667 G C -0.182 174.710 174.900 -0.012 0.000 0.987 667 G CA 0.228 45.330 45.100 0.003 0.000 0.625 667 G HN 0.595 nan 8.290 nan 0.000 0.532 668 D N -0.477 119.917 120.400 -0.010 0.000 2.437 668 D HA 0.595 5.235 4.640 0.000 0.000 0.259 668 D C 0.446 176.746 176.300 0.001 0.000 1.118 668 D CA -0.588 53.402 54.000 -0.016 0.000 1.017 668 D CB 1.377 42.172 40.800 -0.009 0.000 1.120 668 D HN 0.273 nan 8.370 nan 0.000 0.541 669 L N 0.834 122.068 121.223 0.017 0.000 2.331 669 L HA 0.227 4.567 4.340 0.000 0.000 0.278 669 L C -0.518 176.446 176.870 0.156 0.000 1.106 669 L CA 0.213 55.108 54.840 0.093 0.000 0.824 669 L CB 0.535 42.663 42.059 0.115 0.000 1.142 669 L HN 0.180 nan 8.230 nan 0.000 0.443 670 Q N 4.023 123.907 119.800 0.140 0.000 2.322 670 Q HA 0.662 5.002 4.340 0.000 0.000 0.265 670 Q C -1.504 174.550 176.000 0.089 0.000 0.985 670 Q CA -0.792 55.061 55.803 0.084 0.000 0.849 670 Q CB 2.536 31.286 28.738 0.021 0.000 1.274 670 Q HN 0.551 nan 8.270 nan 0.000 0.449 671 V N 1.186 121.129 119.914 0.048 0.000 2.638 671 V HA 0.816 4.936 4.120 0.000 0.000 0.306 671 V C -0.790 175.254 176.094 -0.083 0.000 1.052 671 V CA -0.761 61.508 62.300 -0.053 0.000 0.885 671 V CB 1.705 33.566 31.823 0.064 0.000 0.999 671 V HN 0.844 nan 8.190 nan 0.000 0.424 672 A N 2.878 125.607 122.820 -0.153 0.000 2.380 672 A HA 0.950 5.270 4.320 0.000 0.000 0.315 672 A C -0.239 177.420 177.584 0.124 0.000 1.101 672 A CA -0.608 51.386 52.037 -0.071 0.000 0.771 672 A CB 1.782 20.614 19.000 -0.280 0.000 1.287 672 A HN 0.731 nan 8.150 nan 0.000 0.436 673 T N 1.147 115.871 114.554 0.283 0.000 2.824 673 T HA 0.586 4.936 4.350 0.000 0.000 0.282 673 T C -0.289 174.597 174.700 0.311 0.000 0.993 673 T CA -0.388 61.879 62.100 0.279 0.000 0.967 673 T CB 1.412 70.352 68.868 0.120 0.000 0.960 673 T HN 0.757 nan 8.240 nan 0.000 0.441 674 S N 1.556 117.288 115.700 0.055 0.000 2.473 674 S HA 0.461 4.931 4.470 0.000 0.000 0.307 674 S C 0.298 174.772 174.600 -0.210 0.000 1.094 674 S CA -0.780 57.215 58.200 -0.342 0.000 1.070 674 S CB 1.092 63.690 63.200 -1.003 0.000 1.019 674 S HN 0.681 nan 8.310 nan 0.000 0.480 675 K N 1.767 122.056 120.400 -0.186 0.000 2.358 675 K HA 0.185 4.505 4.320 0.000 0.000 0.200 675 K C -0.414 176.112 176.600 -0.124 0.000 1.030 675 K CA 0.200 56.418 56.287 -0.116 0.000 1.097 675 K CB 0.354 32.815 32.500 -0.065 0.000 0.862 675 K HN 0.708 nan 8.250 nan 0.000 0.534 676 D N -1.212 119.058 120.400 -0.217 0.000 2.623 676 D HA 0.167 4.807 4.640 0.000 0.000 0.252 676 D C 0.577 176.617 176.300 -0.433 0.000 1.294 676 D CA -0.287 53.579 54.000 -0.223 0.000 0.824 676 D CB 0.653 41.320 40.800 -0.222 0.000 1.070 676 D HN 0.043 nan 8.370 nan 0.000 0.487 677 G N -0.311 108.272 108.800 -0.362 0.000 2.160 677 G HA2 0.055 4.015 3.960 0.000 0.000 0.244 677 G HA3 0.055 4.015 3.960 0.000 0.000 0.244 677 G C 1.079 175.683 174.900 -0.493 0.000 1.022 677 G CA 0.128 44.986 45.100 -0.404 0.000 0.741 677 G HN 1.411 nan 8.290 nan 0.000 0.508 678 G N -3.240 105.210 108.800 -0.583 0.000 2.179 678 G HA2 -0.093 3.867 3.960 0.000 0.000 0.220 678 G HA3 -0.093 3.867 3.960 0.000 0.000 0.220 678 G C 1.164 175.655 174.900 -0.681 0.000 0.990 678 G CA 0.968 45.678 45.100 -0.651 0.000 0.646 678 G HN 1.434 nan 8.290 nan 0.000 0.517 679 V N 0.415 119.932 119.914 -0.662 0.000 2.283 679 V HA 0.190 4.310 4.120 0.000 0.000 0.239 679 V C 1.805 177.623 176.094 -0.460 0.000 1.035 679 V CA 2.151 64.185 62.300 -0.444 0.000 1.018 679 V CB -0.602 30.996 31.823 -0.374 0.000 0.658 679 V HN 0.356 nan 8.190 nan 0.000 0.459 680 T N -0.478 113.778 114.554 -0.496 0.000 2.922 680 T HA 0.420 4.770 4.350 0.000 0.000 0.285 680 T C -1.085 173.249 174.700 -0.611 0.000 1.005 680 T CA -0.125 61.754 62.100 -0.369 0.000 1.061 680 T CB 0.937 69.696 68.868 -0.181 0.000 1.007 680 T HN 0.357 nan 8.240 nan 0.000 0.502 681 W N 0.722 122.007 121.300 -0.025 0.000 2.781 681 W HA 0.468 5.128 4.660 0.000 0.000 0.345 681 W C 0.328 176.834 176.519 -0.021 0.000 1.085 681 W CA -0.966 56.364 57.345 -0.025 0.000 1.198 681 W CB 0.836 30.283 29.460 -0.021 0.000 1.423 681 W HN 0.563 nan 8.180 nan 0.000 0.532 682 E N 1.360 121.695 120.200 0.225 0.000 2.392 682 E HA 0.014 4.364 4.350 0.000 0.000 0.259 682 E C 1.129 177.792 176.600 0.104 0.000 1.108 682 E CA -0.139 56.333 56.400 0.118 0.000 0.916 682 E CB 0.812 30.564 29.700 0.088 0.000 0.989 682 E HN 0.421 nan 8.360 nan 0.000 0.432 683 K N 0.818 121.256 120.400 0.063 0.000 2.097 683 K HA -0.185 4.135 4.320 0.000 0.000 0.214 683 K C 0.067 176.686 176.600 0.031 0.000 1.052 683 K CA 1.420 57.733 56.287 0.042 0.000 0.932 683 K CB -0.004 32.512 32.500 0.026 0.000 0.716 683 K HN 0.471 nan 8.250 nan 0.000 0.455 684 D N -0.193 120.223 120.400 0.027 0.000 2.185 684 D HA 0.271 4.911 4.640 0.000 0.000 0.247 684 D C -0.351 175.947 176.300 -0.004 0.000 1.027 684 D CA -0.294 53.708 54.000 0.005 0.000 0.861 684 D CB 1.593 42.391 40.800 -0.003 0.000 1.202 684 D HN -0.017 nan 8.370 nan 0.000 0.453 685 I N 1.981 122.534 120.570 -0.028 0.000 2.312 685 I HA 0.120 4.290 4.170 0.000 0.000 0.290 685 I C 0.504 176.578 176.117 -0.072 0.000 1.008 685 I CA -0.552 60.719 61.300 -0.048 0.000 1.226 685 I CB 0.939 38.906 38.000 -0.055 0.000 1.371 685 I HN -0.053 nan 8.210 nan 0.000 0.468 686 K N 6.866 127.212 120.400 -0.090 0.000 2.339 686 K HA 0.331 4.652 4.320 0.000 0.000 0.286 686 K C -0.366 176.079 176.600 -0.258 0.000 1.050 686 K CA -0.314 55.845 56.287 -0.215 0.000 0.956 686 K CB 0.736 33.084 32.500 -0.253 0.000 0.990 686 K HN 0.454 nan 8.250 nan 0.000 0.475 687 R N 2.772 123.091 120.500 -0.302 0.000 2.294 687 R HA 0.217 4.557 4.340 0.000 0.000 0.319 687 R C -0.921 175.183 176.300 -0.327 0.000 0.984 687 R CA -0.567 55.410 56.100 -0.205 0.000 0.861 687 R CB 0.823 31.059 30.300 -0.107 0.000 1.104 687 R HN 0.528 nan 8.270 nan 0.000 0.451 688 Y N 3.955 124.298 120.300 0.071 0.000 2.721 688 Y HA 0.216 4.766 4.550 0.000 0.000 0.328 688 Y C -1.372 174.497 175.900 -0.052 0.000 1.003 688 Y CA -2.155 55.990 58.100 0.076 0.000 1.275 688 Y CB 1.312 39.901 38.460 0.215 0.000 1.097 688 Y HN 0.521 nan 8.280 nan 0.000 0.514 689 P HA -0.179 nan 4.420 nan 0.000 0.220 689 P C 0.574 177.839 177.300 -0.058 0.000 1.148 689 P CA 1.261 64.359 63.100 -0.004 0.000 0.803 689 P CB 0.477 32.184 31.700 0.011 0.000 0.782 690 Q N -0.583 119.193 119.800 -0.041 0.000 2.439 690 Q HA 0.009 4.349 4.340 0.000 0.000 0.211 690 Q C 0.540 176.253 176.000 -0.478 0.000 0.978 690 Q CA 0.646 56.370 55.803 -0.132 0.000 0.897 690 Q CB -0.361 28.402 28.738 0.042 0.000 0.956 690 Q HN 0.154 nan 8.270 nan 0.000 0.483 691 V N 1.162 120.759 119.914 -0.528 0.000 2.540 691 V HA 0.266 4.386 4.120 0.000 0.000 0.302 691 V C -0.142 175.709 176.094 -0.405 0.000 1.035 691 V CA -1.071 60.782 62.300 -0.744 0.000 0.873 691 V CB 1.916 33.061 31.823 -1.130 0.000 0.992 691 V HN -0.014 nan 8.190 nan 0.000 0.428 692 K N 2.592 122.795 120.400 -0.328 0.000 2.118 692 K HA 0.504 4.824 4.320 0.000 0.000 0.264 692 K C -0.856 175.668 176.600 -0.128 0.000 1.000 692 K CA -0.443 55.746 56.287 -0.163 0.000 0.929 692 K CB 1.669 34.112 32.500 -0.095 0.000 1.021 692 K HN 0.789 nan 8.250 nan 0.000 0.463 693 D N 0.852 121.218 120.400 -0.056 0.000 2.602 693 D HA 0.104 4.744 4.640 0.000 0.000 0.245 693 D C -0.070 176.255 176.300 0.041 0.000 1.325 693 D CA -0.630 53.364 54.000 -0.010 0.000 0.952 693 D CB 1.108 41.908 40.800 -0.001 0.000 1.317 693 D HN 0.161 nan 8.370 nan 0.000 0.577 694 V N 2.882 122.833 119.914 0.063 0.000 3.337 694 V HA 0.316 4.436 4.120 0.000 0.000 0.343 694 V C 0.256 176.460 176.094 0.185 0.000 1.302 694 V CA -0.539 61.822 62.300 0.101 0.000 1.268 694 V CB -1.868 30.009 31.823 0.091 0.000 1.185 694 V HN 0.674 nan 8.190 nan 0.000 0.447 695 Y N -1.244 119.062 120.300 0.010 0.000 2.978 695 Y HA -0.126 4.424 4.550 0.000 0.000 0.142 695 Y C -0.472 175.444 175.900 0.027 0.000 1.837 695 Y CA 0.759 58.866 58.100 0.012 0.000 0.947 695 Y CB -1.221 37.252 38.460 0.022 0.000 1.519 695 Y HN 0.500 nan 8.280 nan 0.000 0.359 696 V N 3.940 123.753 119.914 -0.169 0.000 3.242 696 V HA 0.422 4.542 4.120 0.000 0.000 0.298 696 V C -0.561 175.329 176.094 -0.340 0.000 1.352 696 V CA -0.643 61.535 62.300 -0.203 0.000 1.052 696 V CB 1.918 33.724 31.823 -0.028 0.000 1.101 696 V HN 0.496 nan 8.190 nan 0.000 0.446 697 Q N 4.285 123.681 119.800 -0.674 0.000 2.392 697 Q HA 0.355 4.695 4.340 0.000 0.000 0.262 697 Q C -0.643 175.119 176.000 -0.397 0.000 1.003 697 Q CA 0.056 55.406 55.803 -0.755 0.000 0.888 697 Q CB 1.086 28.886 28.738 -1.562 0.000 1.260 697 Q HN 0.823 nan 8.270 nan 0.000 0.435 698 M N 0.091 119.553 119.600 -0.229 0.000 2.755 698 M HA 0.650 5.130 4.480 0.000 0.000 0.298 698 M C -0.978 175.296 176.300 -0.044 0.000 1.251 698 M CA -1.012 54.234 55.300 -0.090 0.000 0.817 698 M CB 2.186 34.751 32.600 -0.058 0.000 1.760 698 M HN 0.420 nan 8.290 nan 0.000 0.473 699 S N 0.256 115.955 115.700 -0.001 0.000 2.575 699 S HA 0.885 5.355 4.470 0.000 0.000 0.278 699 S C -1.680 172.914 174.600 -0.009 0.000 1.139 699 S CA -0.326 57.893 58.200 0.032 0.000 0.954 699 S CB 1.721 64.971 63.200 0.083 0.000 1.054 699 S HN 1.116 nan 8.310 nan 0.000 0.483 700 A N 4.103 126.923 122.820 0.001 0.000 2.449 700 A HA 0.871 5.191 4.320 0.000 0.000 0.302 700 A C -0.850 176.776 177.584 0.071 0.000 1.048 700 A CA -0.829 51.172 52.037 -0.060 0.000 0.708 700 A CB 0.928 19.726 19.000 -0.337 0.000 1.274 700 A HN 1.193 nan 8.150 nan 0.000 0.410 701 I N -0.764 119.840 120.570 0.057 0.000 2.730 701 I HA 0.496 4.666 4.170 0.000 0.000 0.298 701 I C -0.216 175.978 176.117 0.128 0.000 1.089 701 I CA -0.748 60.623 61.300 0.119 0.000 1.041 701 I CB 1.959 40.020 38.000 0.101 0.000 1.235 701 I HN 0.777 nan 8.210 nan 0.000 0.423 702 H N 3.001 122.136 119.070 0.110 0.000 2.652 702 H HA 0.425 4.981 4.556 0.000 0.000 0.349 702 H C -1.191 174.203 175.328 0.111 0.000 1.099 702 H CA 0.523 56.637 56.048 0.111 0.000 1.417 702 H CB 1.464 31.296 29.762 0.116 0.000 1.457 702 H HN 0.833 nan 8.280 nan 0.000 0.568 703 T N 6.687 121.101 114.554 -0.234 0.000 3.395 703 T HA 0.239 4.589 4.350 0.000 0.000 0.330 703 T C -0.677 174.029 174.700 0.010 0.000 1.076 703 T CA -0.893 61.215 62.100 0.014 0.000 1.070 703 T CB 0.281 69.185 68.868 0.059 0.000 1.119 703 T HN 0.453 nan 8.240 nan 0.000 0.462 704 M N 4.520 124.195 119.600 0.124 0.000 2.216 704 M HA 0.359 4.839 4.480 0.000 0.000 0.356 704 M C -0.143 176.244 176.300 0.145 0.000 1.205 704 M CA -0.315 55.084 55.300 0.165 0.000 1.122 704 M CB 0.616 33.306 32.600 0.151 0.000 1.571 704 M HN 0.663 nan 8.290 nan 0.000 0.464 705 H N 2.956 122.076 119.070 0.082 0.000 3.108 705 H HA 0.188 4.744 4.556 0.000 0.000 0.301 705 H C -0.056 175.297 175.328 0.042 0.000 1.139 705 H CA 0.288 56.261 56.048 -0.125 0.000 1.552 705 H CB 0.669 30.074 29.762 -0.596 0.000 1.663 705 H HN 0.906 nan 8.280 nan 0.000 0.517 706 E N 1.457 121.510 120.200 -0.245 0.000 5.006 706 E HA -0.276 4.075 4.350 0.000 0.000 0.214 706 E C 0.695 177.330 176.600 0.057 0.000 0.970 706 E CA 1.716 58.046 56.400 -0.117 0.000 1.705 706 E CB -0.897 28.722 29.700 -0.136 0.000 1.789 706 E HN 0.770 nan 8.360 nan 0.000 0.384 707 G N -0.358 108.556 108.800 0.190 0.000 3.291 707 G HA2 0.648 4.608 3.960 0.000 0.000 0.173 707 G HA3 0.648 4.608 3.960 0.000 0.000 0.173 707 G C -1.137 173.842 174.900 0.133 0.000 1.099 707 G CA -0.515 44.688 45.100 0.171 0.000 0.794 707 G HN -0.054 nan 8.290 nan 0.000 0.651 708 K N -0.239 120.164 120.400 0.004 0.000 2.513 708 K HA 0.415 4.735 4.320 0.000 0.000 0.251 708 K C -0.533 175.757 176.600 -0.517 0.000 0.939 708 K CA -0.362 55.834 56.287 -0.151 0.000 0.793 708 K CB 2.894 35.351 32.500 -0.072 0.000 1.241 708 K HN 0.613 nan 8.250 nan 0.000 0.431 709 E N 1.870 121.668 120.200 -0.669 0.000 2.550 709 E HA 0.073 4.423 4.350 0.000 0.000 0.206 709 E C -1.203 175.238 176.600 -0.266 0.000 0.845 709 E CA -0.066 56.153 56.400 -0.302 0.000 1.461 709 E CB 0.535 30.166 29.700 -0.114 0.000 1.452 709 E HN 0.565 nan 8.360 nan 0.000 0.780 710 Y N -0.016 120.217 120.300 -0.111 0.000 2.572 710 Y HA -0.178 4.373 4.550 0.000 0.000 0.025 710 Y C -0.645 175.129 175.900 -0.210 0.000 1.771 710 Y CA 0.373 58.402 58.100 -0.119 0.000 1.373 710 Y CB -0.999 37.468 38.460 0.012 0.000 2.022 710 Y HN 0.053 nan 8.280 nan 0.000 0.264 711 I N 4.888 125.448 120.570 -0.017 0.000 2.582 711 I HA 0.518 4.688 4.170 0.000 0.000 0.292 711 I C -0.343 175.760 176.117 -0.023 0.000 1.066 711 I CA -0.888 60.385 61.300 -0.045 0.000 1.053 711 I CB 1.676 39.661 38.000 -0.025 0.000 1.241 711 I HN 0.394 nan 8.210 nan 0.000 0.421 712 I N 6.529 127.072 120.570 -0.045 0.000 2.321 712 I HA 0.339 4.509 4.170 0.000 0.000 0.291 712 I C -0.732 175.378 176.117 -0.011 0.000 0.998 712 I CA -0.502 60.782 61.300 -0.027 0.000 1.227 712 I CB 1.347 39.245 38.000 -0.170 0.000 1.368 712 I HN 0.265 nan 8.210 nan 0.000 0.466 713 L N 6.069 127.345 121.223 0.089 0.000 2.333 713 L HA 0.566 4.906 4.340 0.000 0.000 0.280 713 L C -0.761 176.186 176.870 0.128 0.000 1.004 713 L CA 0.051 54.898 54.840 0.012 0.000 0.820 713 L CB 1.786 43.814 42.059 -0.052 0.000 1.247 713 L HN 0.607 nan 8.230 nan 0.000 0.416 714 S N 5.537 121.289 115.700 0.086 0.000 2.532 714 S HA 0.839 5.310 4.470 0.000 0.000 0.299 714 S C -0.726 173.969 174.600 0.159 0.000 1.105 714 S CA -0.577 57.705 58.200 0.136 0.000 1.018 714 S CB 1.147 64.427 63.200 0.133 0.000 1.021 714 S HN 0.926 nan 8.310 nan 0.000 0.483 715 N N 2.176 120.990 118.700 0.191 0.000 3.449 715 N HA 0.486 5.226 4.740 0.000 0.000 0.312 715 N C -0.867 174.805 175.510 0.271 0.000 1.557 715 N CA -0.609 52.599 53.050 0.264 0.000 0.864 715 N CB 0.515 39.062 38.487 0.101 0.000 1.799 715 N HN 0.635 nan 8.380 nan 0.000 0.554 716 A N -1.177 121.825 122.820 0.304 0.000 2.346 716 A HA 0.600 4.920 4.320 0.000 0.000 0.252 716 A C 1.214 178.840 177.584 0.070 0.000 1.089 716 A CA 0.361 52.544 52.037 0.243 0.000 0.797 716 A CB -0.455 18.708 19.000 0.270 0.000 1.047 716 A HN 0.861 nan 8.150 nan 0.000 0.494 717 G N -0.551 108.259 108.800 0.016 0.000 2.576 717 G HA2 0.507 4.467 3.960 0.000 0.000 0.210 717 G HA3 0.507 4.467 3.960 0.000 0.000 0.210 717 G C 0.984 175.889 174.900 0.010 0.000 1.143 717 G CA 0.815 45.908 45.100 -0.012 0.000 0.819 717 G HN 2.312 nan 8.290 nan 0.000 0.534 718 G N 0.139 108.961 108.800 0.036 0.000 2.757 718 G HA2 0.025 3.985 3.960 0.000 0.000 0.638 718 G HA3 0.025 3.985 3.960 0.000 0.000 0.638 718 G C -2.763 172.152 174.900 0.026 0.000 1.344 718 G CA -0.350 44.774 45.100 0.039 0.000 0.855 718 G HN 0.429 nan 8.290 nan 0.000 0.537 719 P HA 0.461 nan 4.420 nan 0.000 0.280 719 P C 0.237 177.567 177.300 0.050 0.000 1.244 719 P CA 0.282 63.402 63.100 0.034 0.000 0.784 719 P CB 0.961 32.676 31.700 0.024 0.000 0.913 720 K N 0.515 120.953 120.400 0.062 0.000 5.816 720 K HA -0.140 4.180 4.320 0.000 0.000 0.946 720 K C -0.150 176.514 176.600 0.107 0.000 2.373 720 K CA -0.331 56.004 56.287 0.081 0.000 1.325 720 K CB -0.802 31.740 32.500 0.071 0.000 2.481 720 K HN 0.445 nan 8.250 nan 0.000 0.258 721 R N 2.377 122.955 120.500 0.130 0.000 2.878 721 R HA 0.026 4.366 4.340 0.000 0.000 0.239 721 R C -0.179 176.246 176.300 0.207 0.000 1.515 721 R CA 0.341 56.544 56.100 0.171 0.000 1.210 721 R CB -0.281 30.127 30.300 0.181 0.000 1.209 721 R HN 0.395 nan 8.270 nan 0.000 0.610 722 E N 0.398 120.720 120.200 0.204 0.000 2.412 722 E HA 0.264 4.614 4.350 0.000 0.000 0.279 722 E C -1.081 175.599 176.600 0.134 0.000 0.984 722 E CA -1.311 55.207 56.400 0.197 0.000 0.788 722 E CB 0.935 30.710 29.700 0.126 0.000 1.277 722 E HN 0.074 nan 8.360 nan 0.000 0.455 723 N N -0.164 118.584 118.700 0.079 0.000 2.522 723 N HA -0.101 4.639 4.740 0.000 0.000 0.281 723 N C -0.429 174.878 175.510 -0.338 0.000 1.267 723 N CA 1.055 54.053 53.050 -0.086 0.000 0.675 723 N CB -0.684 37.769 38.487 -0.058 0.000 0.890 723 N HN 0.806 nan 8.380 nan 0.000 0.542 724 G N 1.563 109.895 108.800 -0.779 0.000 2.192 724 G HA2 0.271 4.231 3.960 0.000 0.000 0.258 724 G HA3 0.271 4.231 3.960 0.000 0.000 0.258 724 G C 0.294 174.744 174.900 -0.750 0.000 1.185 724 G CA -0.123 43.994 45.100 -1.638 0.000 0.976 724 G HN 0.331 nan 8.290 nan 0.000 0.446 725 M N 2.052 121.319 119.600 -0.554 0.000 2.436 725 M HA 0.385 4.866 4.480 0.000 0.000 0.331 725 M C -0.492 175.604 176.300 -0.341 0.000 1.135 725 M CA -1.008 54.051 55.300 -0.400 0.000 0.987 725 M CB 1.939 34.288 32.600 -0.420 0.000 1.687 725 M HN 0.122 nan 8.290 nan 0.000 0.445 726 V N 3.891 123.636 119.914 -0.280 0.000 2.407 726 V HA 0.384 4.504 4.120 0.000 0.000 0.291 726 V C -0.347 175.640 176.094 -0.178 0.000 1.018 726 V CA -0.717 61.523 62.300 -0.100 0.000 0.842 726 V CB 1.293 33.210 31.823 0.156 0.000 0.996 726 V HN 0.716 nan 8.190 nan 0.000 0.426 727 H N 4.678 123.797 119.070 0.083 0.000 2.472 727 H HA 0.627 5.183 4.556 0.000 0.000 0.338 727 H C -0.900 174.618 175.328 0.318 0.000 1.133 727 H CA -0.704 55.462 56.048 0.196 0.000 1.216 727 H CB 2.923 32.689 29.762 0.006 0.000 1.497 727 H HN 0.410 nan 8.280 nan 0.000 0.500 728 L N 1.769 123.269 121.223 0.462 0.000 2.365 728 L HA 0.630 4.970 4.340 0.000 0.000 0.273 728 L C -0.890 176.139 176.870 0.265 0.000 1.000 728 L CA -0.476 54.537 54.840 0.289 0.000 0.819 728 L CB 1.570 43.675 42.059 0.076 0.000 1.284 728 L HN 0.794 nan 8.230 nan 0.000 0.418 729 A N 4.413 127.174 122.820 -0.097 0.000 2.386 729 A HA 0.757 5.077 4.320 0.000 0.000 0.311 729 A C -0.899 176.535 177.584 -0.249 0.000 1.068 729 A CA -0.752 50.984 52.037 -0.501 0.000 0.743 729 A CB 1.190 19.311 19.000 -1.465 0.000 1.258 729 A HN 0.710 nan 8.150 nan 0.000 0.429 730 R N 1.831 122.176 120.500 -0.258 0.000 2.202 730 R HA 0.478 4.818 4.340 0.000 0.000 0.334 730 R C -1.173 174.947 176.300 -0.299 0.000 1.036 730 R CA -0.283 55.643 56.100 -0.289 0.000 0.878 730 R CB 0.653 30.832 30.300 -0.201 0.000 1.067 730 R HN 0.487 nan 8.270 nan 0.000 0.457 731 V N 5.685 125.415 119.914 -0.307 0.000 2.397 731 V HA 0.038 4.158 4.120 0.000 0.000 0.262 731 V C 0.598 176.601 176.094 -0.151 0.000 1.047 731 V CA 0.072 62.255 62.300 -0.194 0.000 1.003 731 V CB 0.491 32.239 31.823 -0.124 0.000 1.037 731 V HN 0.809 nan 8.190 nan 0.000 0.480 732 E N 3.502 123.637 120.200 -0.109 0.000 2.397 732 E HA 0.128 4.478 4.350 0.000 0.000 0.254 732 E C 0.610 177.186 176.600 -0.039 0.000 1.231 732 E CA -0.344 56.014 56.400 -0.069 0.000 0.954 732 E CB 1.038 30.711 29.700 -0.045 0.000 1.024 732 E HN 0.648 nan 8.360 nan 0.000 0.481 733 E N 0.513 120.697 120.200 -0.026 0.000 2.435 733 E HA -0.098 4.252 4.350 0.000 0.000 0.195 733 E C 1.244 177.842 176.600 -0.003 0.000 1.029 733 E CA 0.167 56.559 56.400 -0.013 0.000 0.865 733 E CB 0.071 29.764 29.700 -0.011 0.000 0.833 733 E HN 0.380 nan 8.360 nan 0.000 0.510 734 N N 0.477 119.177 118.700 -0.000 0.000 2.415 734 N HA -0.037 4.703 4.740 0.000 0.000 0.176 734 N C 0.690 176.208 175.510 0.012 0.000 1.042 734 N CA 0.589 53.643 53.050 0.006 0.000 0.902 734 N CB 0.309 38.801 38.487 0.009 0.000 0.986 734 N HN -0.008 nan 8.380 nan 0.000 0.447 735 G N 0.791 109.602 108.800 0.017 0.000 3.164 735 G HA2 0.226 4.186 3.960 0.000 0.000 0.312 735 G HA3 0.226 4.186 3.960 0.000 0.000 0.312 735 G C -0.637 174.275 174.900 0.021 0.000 1.530 735 G CA -0.467 44.641 45.100 0.012 0.000 1.079 735 G HN 0.156 nan 8.290 nan 0.000 0.527 736 E N 0.983 121.199 120.200 0.027 0.000 2.816 736 E HA 0.542 4.892 4.350 0.000 0.000 0.260 736 E C -0.464 176.129 176.600 -0.011 0.000 1.414 736 E CA -0.348 56.086 56.400 0.057 0.000 1.074 736 E CB 0.720 30.470 29.700 0.083 0.000 1.123 736 E HN 0.430 nan 8.360 nan 0.000 0.664 737 L N -1.291 119.907 121.223 -0.041 0.000 2.464 737 L HA 0.455 4.795 4.340 0.000 0.000 0.266 737 L C -0.640 176.023 176.870 -0.346 0.000 0.965 737 L CA -0.902 53.776 54.840 -0.270 0.000 0.833 737 L CB 1.595 43.383 42.059 -0.452 0.000 1.296 737 L HN 0.316 nan 8.230 nan 0.000 0.405 738 T N -1.747 112.625 114.554 -0.303 0.000 2.771 738 T HA 0.604 4.955 4.350 0.000 0.000 0.281 738 T C -0.729 173.828 174.700 -0.238 0.000 0.982 738 T CA -0.294 61.702 62.100 -0.173 0.000 0.978 738 T CB 0.454 69.301 68.868 -0.034 0.000 0.930 738 T HN 0.536 nan 8.240 nan 0.000 0.447 739 W N 2.827 124.130 121.300 0.006 0.000 2.218 739 W HA 0.479 5.139 4.660 0.000 0.000 0.326 739 W C 1.015 177.529 176.519 -0.009 0.000 1.276 739 W CA -0.925 56.438 57.345 0.031 0.000 1.210 739 W CB 0.554 30.104 29.460 0.150 0.000 1.143 739 W HN 0.570 nan 8.180 nan 0.000 0.563 740 L N 1.652 122.977 121.223 0.170 0.000 2.416 740 L HA 0.310 4.650 4.340 0.000 0.000 0.188 740 L C 0.581 177.361 176.870 -0.151 0.000 1.145 740 L CA 0.538 55.383 54.840 0.008 0.000 0.826 740 L CB -0.323 41.737 42.059 0.001 0.000 1.064 740 L HN 0.178 nan 8.230 nan 0.000 0.490 741 K N -0.571 119.707 120.400 -0.204 0.000 2.469 741 K HA 0.474 4.794 4.320 0.000 0.000 0.254 741 K C -1.538 174.836 176.600 -0.376 0.000 0.939 741 K CA -0.628 55.429 56.287 -0.383 0.000 0.812 741 K CB 2.244 34.579 32.500 -0.275 0.000 1.301 741 K HN 0.107 nan 8.250 nan 0.000 0.433 742 H N 0.800 119.812 119.070 -0.095 0.000 2.708 742 H HA 0.306 4.863 4.556 0.000 0.000 0.320 742 H C -1.240 173.915 175.328 -0.288 0.000 0.991 742 H CA -0.946 54.971 56.048 -0.218 0.000 1.243 742 H CB 0.716 30.390 29.762 -0.146 0.000 1.446 742 H HN 0.445 nan 8.280 nan 0.000 0.502 743 N N 4.276 122.827 118.700 -0.249 0.000 2.372 743 N HA 0.273 5.013 4.740 0.000 0.000 0.285 743 N C -2.992 172.409 175.510 -0.182 0.000 1.008 743 N CA -2.015 50.830 53.050 -0.342 0.000 0.880 743 N CB 1.868 39.895 38.487 -0.767 0.000 1.239 743 N HN 0.330 nan 8.380 nan 0.000 0.484 744 P HA 0.055 nan 4.420 nan 0.000 0.267 744 P C 0.031 177.405 177.300 0.124 0.000 1.209 744 P CA 0.001 63.053 63.100 -0.081 0.000 0.763 744 P CB 0.857 32.498 31.700 -0.097 0.000 0.816 745 I N 1.531 122.097 120.570 -0.006 0.000 3.939 745 I HA 0.130 4.300 4.170 0.000 0.000 0.313 745 I C 0.073 176.019 176.117 -0.285 0.000 1.274 745 I CA 0.617 61.868 61.300 -0.080 0.000 1.301 745 I CB 0.499 38.393 38.000 -0.177 0.000 1.105 745 I HN 0.277 nan 8.210 nan 0.000 0.427 746 Q N 1.330 120.929 119.800 -0.334 0.000 2.352 746 Q HA 0.373 4.713 4.340 0.000 0.000 0.270 746 Q C -1.669 174.221 176.000 -0.182 0.000 1.006 746 Q CA -0.667 54.955 55.803 -0.302 0.000 0.880 746 Q CB 1.688 30.161 28.738 -0.442 0.000 1.392 746 Q HN 0.018 nan 8.270 nan 0.000 0.401 747 K N 1.262 121.620 120.400 -0.070 0.000 2.168 747 K HA 0.914 5.234 4.320 0.000 0.000 0.239 747 K C -0.146 176.578 176.600 0.207 0.000 0.999 747 K CA -0.266 56.041 56.287 0.032 0.000 0.900 747 K CB 1.432 33.947 32.500 0.026 0.000 1.111 747 K HN 0.974 nan 8.250 nan 0.000 0.452 748 G N 0.921 109.850 108.800 0.214 0.000 2.627 748 G HA2 -0.224 3.736 3.960 0.000 0.000 0.214 748 G HA3 -0.224 3.736 3.960 0.000 0.000 0.214 748 G C -1.101 173.960 174.900 0.267 0.000 1.331 748 G CA -0.474 44.793 45.100 0.278 0.000 0.891 748 G HN 0.753 nan 8.290 nan 0.000 0.539 749 E N -0.936 119.371 120.200 0.178 0.000 2.316 749 E HA 0.599 4.949 4.350 0.000 0.000 0.275 749 E C -0.726 176.105 176.600 0.385 0.000 1.029 749 E CA -0.595 55.935 56.400 0.217 0.000 0.871 749 E CB 1.221 31.001 29.700 0.133 0.000 1.022 749 E HN 0.999 nan 8.360 nan 0.000 0.418 750 F N 2.393 122.464 119.950 0.202 0.000 2.581 750 F HA 0.628 5.155 4.527 0.000 0.000 0.311 750 F C -0.671 175.178 175.800 0.082 0.000 1.113 750 F CA -0.464 57.641 58.000 0.175 0.000 0.935 750 F CB 1.853 40.924 39.000 0.119 0.000 1.232 750 F HN 0.683 nan 8.300 nan 0.000 0.445 751 A N 4.290 126.750 122.820 -0.600 0.000 2.218 751 A HA 0.425 4.745 4.320 0.000 0.000 0.198 751 A C -1.166 176.219 177.584 -0.331 0.000 1.857 751 A CA -0.252 51.591 52.037 -0.322 0.000 1.620 751 A CB -0.385 18.433 19.000 -0.304 0.000 1.424 751 A HN 0.688 nan 8.150 nan 0.000 0.562 752 Y N 1.570 121.551 120.300 -0.532 0.000 2.304 752 Y HA 0.427 4.977 4.550 0.000 0.000 0.327 752 Y C 0.329 176.062 175.900 -0.278 0.000 1.209 752 Y CA 0.351 58.266 58.100 -0.308 0.000 1.299 752 Y CB 0.842 39.170 38.460 -0.220 0.000 1.249 752 Y HN 0.822 nan 8.280 nan 0.000 0.519 753 N N -0.235 118.475 118.700 0.017 0.000 2.708 753 N HA 0.545 5.286 4.740 0.000 0.000 0.257 753 N C -1.862 173.736 175.510 0.146 0.000 1.373 753 N CA -1.014 52.109 53.050 0.121 0.000 0.843 753 N CB 2.194 40.824 38.487 0.238 0.000 1.503 753 N HN 0.325 nan 8.380 nan 0.000 0.504 754 S N 0.429 116.249 115.700 0.200 0.000 2.619 754 S HA 0.558 5.028 4.470 0.000 0.000 0.280 754 S C -1.501 173.238 174.600 0.232 0.000 1.150 754 S CA -0.730 57.587 58.200 0.194 0.000 0.978 754 S CB 0.294 63.608 63.200 0.191 0.000 1.041 754 S HN 0.505 nan 8.310 nan 0.000 0.485 755 L N 3.958 125.301 121.223 0.200 0.000 2.331 755 L HA 0.690 5.030 4.340 0.000 0.000 0.275 755 L C 0.046 177.048 176.870 0.220 0.000 1.022 755 L CA -0.690 54.272 54.840 0.205 0.000 0.812 755 L CB 1.575 43.713 42.059 0.132 0.000 1.257 755 L HN 0.522 nan 8.230 nan 0.000 0.435 756 Q N 1.158 121.114 119.800 0.261 0.000 2.544 756 Q HA 0.364 4.704 4.340 0.000 0.000 0.291 756 Q C -1.456 174.736 176.000 0.320 0.000 1.068 756 Q CA -0.700 55.263 55.803 0.267 0.000 0.785 756 Q CB 2.833 31.737 28.738 0.276 0.000 1.481 756 Q HN 0.515 nan 8.270 nan 0.000 0.430 757 E N 1.415 121.795 120.200 0.300 0.000 2.109 757 E HA 0.269 4.619 4.350 0.000 0.000 0.278 757 E C 0.242 176.953 176.600 0.186 0.000 0.954 757 E CA -0.010 56.597 56.400 0.344 0.000 0.779 757 E CB 0.501 30.389 29.700 0.313 0.000 1.093 757 E HN 0.476 nan 8.360 nan 0.000 0.401 758 L N 3.740 125.024 121.223 0.102 0.000 2.558 758 L HA 0.336 4.676 4.340 0.000 0.000 0.225 758 L C 1.049 177.912 176.870 -0.012 0.000 1.128 758 L CA 0.381 55.255 54.840 0.058 0.000 0.868 758 L CB -0.564 41.540 42.059 0.074 0.000 1.006 758 L HN 0.821 nan 8.230 nan 0.000 0.454 759 G N 0.301 109.063 108.800 -0.064 0.000 2.756 759 G HA2 -0.251 3.710 3.960 0.000 0.000 0.678 759 G HA3 -0.251 3.710 3.960 0.000 0.000 0.678 759 G C 0.158 174.973 174.900 -0.142 0.000 1.349 759 G CA -0.242 44.810 45.100 -0.080 0.000 0.847 759 G HN 0.371 nan 8.290 nan 0.000 0.548 760 N N -0.714 117.912 118.700 -0.123 0.000 2.714 760 N HA -0.214 4.526 4.740 0.000 0.000 0.250 760 N C 1.529 176.916 175.510 -0.204 0.000 1.117 760 N CA 2.282 55.254 53.050 -0.130 0.000 0.719 760 N CB -0.972 37.462 38.487 -0.089 0.000 1.081 760 N HN 2.628 nan 8.380 nan 0.000 0.557 761 G N 0.106 108.725 108.800 -0.302 0.000 2.198 761 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 761 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 761 G C -0.215 174.254 174.900 -0.717 0.000 1.025 761 G CA 0.906 45.703 45.100 -0.506 0.000 0.769 761 G HN 0.626 nan 8.290 nan 0.000 0.507 762 E N -1.035 118.758 120.200 -0.679 0.000 2.195 762 E HA 0.665 5.015 4.350 0.000 0.000 0.271 762 E C -0.718 175.454 176.600 -0.714 0.000 0.923 762 E CA -0.788 55.266 56.400 -0.577 0.000 0.790 762 E CB 1.250 30.828 29.700 -0.203 0.000 1.155 762 E HN 0.350 nan 8.360 nan 0.000 0.402 763 Y N -0.592 119.691 120.300 -0.028 0.000 2.545 763 Y HA 0.610 5.160 4.550 0.000 0.000 0.348 763 Y C 0.462 176.411 175.900 0.081 0.000 1.002 763 Y CA -1.145 56.959 58.100 0.006 0.000 1.039 763 Y CB 2.322 40.737 38.460 -0.075 0.000 1.271 763 Y HN 0.545 nan 8.280 nan 0.000 0.467 764 G N 1.461 110.471 108.800 0.349 0.000 2.481 764 G HA2 0.702 4.662 3.960 0.000 0.000 0.315 764 G HA3 0.702 4.662 3.960 0.000 0.000 0.315 764 G C -1.956 173.161 174.900 0.361 0.000 1.231 764 G CA -0.822 44.494 45.100 0.360 0.000 0.968 764 G HN 0.688 nan 8.290 nan 0.000 0.482 765 I N 1.706 122.422 120.570 0.244 0.000 2.571 765 I HA 0.433 4.603 4.170 0.000 0.000 0.286 765 I C -1.608 174.768 176.117 0.431 0.000 1.134 765 I CA -0.970 60.538 61.300 0.347 0.000 1.052 765 I CB 1.690 39.883 38.000 0.322 0.000 1.237 765 I HN 0.434 nan 8.210 nan 0.000 0.435 766 L N 9.726 131.211 121.223 0.438 0.000 2.292 766 L HA 0.597 4.938 4.340 0.000 0.000 0.284 766 L C -1.140 175.880 176.870 0.250 0.000 1.065 766 L CA 0.206 55.216 54.840 0.283 0.000 0.806 766 L CB 0.842 43.031 42.059 0.216 0.000 1.175 766 L HN 0.583 nan 8.230 nan 0.000 0.431 767 Y N 1.171 121.531 120.300 0.100 0.000 2.715 767 Y HA 0.704 5.254 4.550 0.000 0.000 0.331 767 Y C -1.004 174.829 175.900 -0.111 0.000 1.197 767 Y CA -1.287 56.795 58.100 -0.030 0.000 1.079 767 Y CB 0.944 39.436 38.460 0.054 0.000 1.298 767 Y HN 0.540 nan 8.280 nan 0.000 0.477 768 E N 1.378 121.495 120.200 -0.139 0.000 2.151 768 E HA 0.297 4.647 4.350 0.000 0.000 0.275 768 E C -1.475 175.128 176.600 0.006 0.000 0.936 768 E CA -0.696 55.525 56.400 -0.300 0.000 0.777 768 E CB 1.402 30.516 29.700 -0.976 0.000 1.108 768 E HN 0.631 nan 8.360 nan 0.000 0.401 769 H N 1.298 120.517 119.070 0.248 0.000 3.046 769 H HA 0.369 4.925 4.556 0.000 0.000 0.361 769 H C -1.436 174.108 175.328 0.359 0.000 1.235 769 H CA -0.455 55.826 56.048 0.389 0.000 1.146 769 H CB 2.501 32.512 29.762 0.415 0.000 1.859 769 H HN 0.445 nan 8.280 nan 0.000 0.548 770 T N 2.994 117.285 114.554 -0.439 0.000 2.886 770 T HA 0.391 4.741 4.350 0.000 0.000 0.292 770 T C -1.213 173.270 174.700 -0.361 0.000 1.012 770 T CA -0.806 61.126 62.100 -0.280 0.000 0.982 770 T CB 1.830 70.573 68.868 -0.208 0.000 1.018 770 T HN 0.670 nan 8.240 nan 0.000 0.451 771 E N 1.125 121.273 120.200 -0.086 0.000 2.401 771 E HA 0.472 4.822 4.350 0.000 0.000 0.280 771 E C -1.213 175.399 176.600 0.021 0.000 1.039 771 E CA -1.271 55.132 56.400 0.006 0.000 0.814 771 E CB 1.106 30.892 29.700 0.143 0.000 1.275 771 E HN 0.430 nan 8.360 nan 0.000 0.448 772 K N 0.443 120.855 120.400 0.021 0.000 3.125 772 K HA -0.204 4.116 4.320 0.000 0.000 0.268 772 K C 0.566 177.165 176.600 -0.002 0.000 1.078 772 K CA 0.740 57.036 56.287 0.015 0.000 0.775 772 K CB -1.915 30.600 32.500 0.026 0.000 1.253 772 K HN 1.241 nan 8.250 nan 0.000 0.486 773 G N 0.572 109.362 108.800 -0.017 0.000 2.221 773 G HA2 -0.363 3.597 3.960 0.000 0.000 0.265 773 G HA3 -0.363 3.597 3.960 0.000 0.000 0.265 773 G C -0.070 174.807 174.900 -0.040 0.000 1.041 773 G CA 0.679 45.761 45.100 -0.030 0.000 0.807 773 G HN 0.503 nan 8.290 nan 0.000 0.502 774 Q N -0.646 119.128 119.800 -0.044 0.000 2.352 774 Q HA 0.260 4.600 4.340 0.000 0.000 0.260 774 Q C 1.315 177.259 176.000 -0.093 0.000 0.976 774 Q CA -0.551 55.224 55.803 -0.047 0.000 0.881 774 Q CB 0.426 29.152 28.738 -0.021 0.000 1.235 774 Q HN 0.246 nan 8.270 nan 0.000 0.419 775 N N 1.485 120.133 118.700 -0.086 0.000 2.348 775 N HA -0.073 4.667 4.740 0.000 0.000 0.185 775 N C -0.356 175.024 175.510 -0.218 0.000 1.019 775 N CA 1.046 54.021 53.050 -0.124 0.000 0.880 775 N CB -0.233 38.199 38.487 -0.092 0.000 0.965 775 N HN 0.715 nan 8.380 nan 0.000 0.437 776 A N -0.777 121.886 122.820 -0.262 0.000 2.389 776 A HA -0.179 4.141 4.320 0.000 0.000 0.668 776 A C -1.049 176.311 177.584 -0.373 0.000 0.196 776 A CA -0.183 51.509 52.037 -0.576 0.000 0.132 776 A CB -1.994 16.427 19.000 -0.964 0.000 3.869 776 A HN 0.267 nan 8.150 nan 0.000 0.534 777 Y N 0.658 120.940 120.300 -0.031 0.000 2.650 777 Y HA 0.704 5.255 4.550 0.000 0.000 0.331 777 Y C 1.805 177.735 175.900 0.050 0.000 1.082 777 Y CA 0.060 58.158 58.100 -0.005 0.000 1.171 777 Y CB 1.804 40.251 38.460 -0.022 0.000 1.326 777 Y HN 0.593 nan 8.280 nan 0.000 0.513 778 T N 0.662 115.352 114.554 0.227 0.000 3.040 778 T HA 0.206 4.556 4.350 0.000 0.000 0.250 778 T C -0.294 174.445 174.700 0.066 0.000 1.058 778 T CA -0.230 61.951 62.100 0.135 0.000 0.988 778 T CB -0.320 68.610 68.868 0.103 0.000 0.993 778 T HN 0.439 nan 8.240 nan 0.000 0.519 779 L N 2.442 123.702 121.223 0.061 0.000 3.244 779 L HA -0.174 4.166 4.340 0.000 0.000 0.589 779 L C -0.402 176.358 176.870 -0.182 0.000 1.005 779 L CA -0.255 54.562 54.840 -0.038 0.000 1.258 779 L CB -1.367 40.750 42.059 0.095 0.000 1.311 779 L HN 0.215 nan 8.230 nan 0.000 0.677 780 S N 2.331 117.780 115.700 -0.419 0.000 2.566 780 S HA 0.782 5.252 4.470 0.000 0.000 0.298 780 S C -0.639 173.685 174.600 -0.461 0.000 1.083 780 S CA -0.640 57.288 58.200 -0.453 0.000 0.978 780 S CB 2.413 65.347 63.200 -0.444 0.000 1.073 780 S HN 0.336 nan 8.310 nan 0.000 0.491 781 F N 1.933 121.709 119.950 -0.289 0.000 2.458 781 F HA 0.673 5.200 4.527 0.000 0.000 0.330 781 F C -0.033 175.813 175.800 0.077 0.000 1.082 781 F CA -0.742 57.225 58.000 -0.054 0.000 0.995 781 F CB 0.989 40.023 39.000 0.056 0.000 1.170 781 F HN 0.451 nan 8.300 nan 0.000 0.478 782 R N 4.517 124.572 120.500 -0.742 0.000 2.533 782 R HA 0.290 4.630 4.340 0.000 0.000 0.288 782 R C -1.376 174.432 176.300 -0.822 0.000 1.039 782 R CA -1.098 54.635 56.100 -0.612 0.000 0.909 782 R CB 2.332 32.448 30.300 -0.307 0.000 1.195 782 R HN 0.610 nan 8.270 nan 0.000 0.438 783 K N 4.957 125.075 120.400 -0.470 0.000 2.164 783 K HA 0.586 4.906 4.320 0.000 0.000 0.258 783 K C -1.221 175.563 176.600 0.307 0.000 0.951 783 K CA -0.288 55.972 56.287 -0.046 0.000 0.844 783 K CB 1.192 33.769 32.500 0.128 0.000 1.099 783 K HN 0.633 nan 8.250 nan 0.000 0.435 784 F N -0.387 119.516 119.950 -0.078 0.000 2.798 784 F HA 0.123 4.650 4.527 0.000 0.000 0.325 784 F C -1.597 174.224 175.800 0.034 0.000 1.117 784 F CA -1.424 56.545 58.000 -0.051 0.000 0.934 784 F CB 0.073 38.996 39.000 -0.129 0.000 1.284 784 F HN 0.682 nan 8.300 nan 0.000 0.468 785 N N 1.909 120.590 118.700 -0.031 0.000 2.418 785 N HA 0.566 5.306 4.740 0.000 0.000 0.283 785 N C 0.049 175.622 175.510 0.106 0.000 1.267 785 N CA 0.427 53.501 53.050 0.039 0.000 0.975 785 N CB 1.520 40.089 38.487 0.137 0.000 1.167 785 N HN 1.173 nan 8.380 nan 0.000 0.581 786 W N -1.977 119.324 121.300 0.002 0.000 0.666 786 W HA -0.146 4.514 4.660 0.000 0.000 0.136 786 W C -0.526 175.973 176.519 -0.033 0.000 0.586 786 W CA 0.353 57.669 57.345 -0.049 0.000 0.265 786 W CB -0.904 28.480 29.460 -0.128 0.000 0.578 786 W HN 0.449 nan 8.180 nan 0.000 0.334 787 D N 1.859 122.253 120.400 -0.010 0.000 2.224 787 D HA -0.069 4.571 4.640 0.000 0.000 0.205 787 D C 1.606 177.877 176.300 -0.048 0.000 0.965 787 D CA 1.609 55.556 54.000 -0.088 0.000 0.852 787 D CB -0.842 39.985 40.800 0.045 0.000 0.947 787 D HN 0.200 nan 8.370 nan 0.000 0.494 788 F N 1.162 121.080 119.950 -0.053 0.000 2.216 788 F HA -0.132 4.395 4.527 0.000 0.000 0.300 788 F C 1.956 177.681 175.800 -0.124 0.000 1.085 788 F CA 1.081 59.081 58.000 0.000 0.000 1.326 788 F CB 0.022 39.162 39.000 0.233 0.000 1.027 788 F HN -0.129 nan 8.300 nan 0.000 0.497 789 L N -1.294 119.858 121.223 -0.119 0.000 2.168 789 L HA -0.077 4.263 4.340 0.000 0.000 0.203 789 L C 2.415 178.987 176.870 -0.497 0.000 1.078 789 L CA 0.941 55.588 54.840 -0.322 0.000 0.780 789 L CB -0.547 41.297 42.059 -0.358 0.000 0.939 789 L HN -0.020 nan 8.230 nan 0.000 0.451 790 S N -0.868 114.444 115.700 -0.646 0.000 2.336 790 S HA -0.050 4.420 4.470 0.000 0.000 0.216 790 S C 1.047 175.447 174.600 -0.333 0.000 1.032 790 S CA 0.821 58.683 58.200 -0.563 0.000 0.973 790 S CB 0.077 62.882 63.200 -0.658 0.000 0.888 790 S HN 0.190 nan 8.310 nan 0.000 0.455 791 K N 0.000 120.237 120.400 -0.272 0.000 2.780 791 K HA 0.000 4.320 4.320 0.000 0.000 0.191 791 K CA 0.000 56.175 56.287 -0.186 0.000 0.838 791 K CB 0.000 32.425 32.500 -0.125 0.000 1.064 791 K HN 0.000 nan 8.250 nan 0.000 0.543