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 2o1t_1_D DATA FIRST_RESID 340 DATA SEQUENCE KPIWQRPSKE VEDDEYKAFY KSFSKESDDP MAYIHFTAEG EVTFKSILFV DATA SEQUENCE PTSAPXXXXX XXXXXXXXYI KLYVRRVFIT DDFHDMMPKY LNFVKGVVDS DATA SEQUENCE DDLPLNVSRE TLQQHKLLKV IRKKLVRKTL DMIKKIADEK YNDTFWKEFG DATA SEQUENCE TNIKLGVIED HSNRTRLAKL LRFQSSHHPS DITSLDQYVE RMKEKQDKIY DATA SEQUENCE FMAGSSRKEA ESSPFVERLL KKGYEVIYLT EPVDEYCIQA LPEFDGKRFQ DATA SEQUENCE NVAKEGVKFD ESEKTKESRE AIEKEFEPLL NWMKDKALKD KIEKAVVSQR DATA SEQUENCE LTESPCALVA SQYGWSGNME RIMKAQAYQT GKDISTNYYA SQKKTFEINP DATA SEQUENCE RHPLIKDMLR RVKEDEDDKT VSDLAVVLFE TATLRSGYLL PDTKAYGDRI DATA SEQUENCE ERMLRLSLNI DPDAKVEEEP EEEPEE 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 340 K HA 0.000 nan 4.320 nan 0.000 0.191 340 K C 0.000 176.383 176.600 -0.362 0.000 0.988 340 K CA 0.000 56.146 56.287 -0.236 0.000 0.838 340 K CB 0.000 32.385 32.500 -0.192 0.000 1.064 341 P HA 0.037 nan 4.420 nan 0.000 0.267 341 P C 1.066 177.834 177.300 -0.887 0.000 1.200 341 P CA -0.606 61.908 63.100 -0.976 0.000 0.772 341 P CB 0.449 31.090 31.700 -1.766 0.000 0.855 342 I N 0.336 120.442 120.570 -0.774 0.000 2.248 342 I HA -0.194 3.975 4.170 -0.002 0.000 0.248 342 I C 1.848 177.741 176.117 -0.373 0.000 1.107 342 I CA 1.512 62.489 61.300 -0.537 0.000 1.373 342 I CB -1.486 36.163 38.000 -0.585 0.000 1.055 342 I HN 0.671 nan 8.210 nan 0.000 0.418 343 W N 1.220 122.394 121.300 -0.209 0.000 2.800 343 W HA 0.052 4.711 4.660 -0.002 0.000 0.249 343 W C 1.756 178.344 176.519 0.115 0.000 1.294 343 W CA 0.068 57.429 57.345 0.027 0.000 1.402 343 W CB -1.013 28.400 29.460 -0.079 0.000 1.126 343 W HN 0.003 nan 8.180 nan 0.000 0.652 344 Q N 1.172 120.821 119.800 -0.251 0.000 2.408 344 Q HA 0.160 4.499 4.340 -0.002 0.000 0.205 344 Q C 0.484 176.445 176.000 -0.065 0.000 0.919 344 Q CA 0.522 56.251 55.803 -0.123 0.000 0.932 344 Q CB 0.011 28.591 28.738 -0.264 0.000 1.058 344 Q HN 0.399 nan 8.270 nan 0.000 0.517 345 R N 1.237 121.667 120.500 -0.116 0.000 2.560 345 R HA 0.232 4.571 4.340 -0.002 0.000 0.270 345 R C -2.267 174.006 176.300 -0.045 0.000 1.074 345 R CA -1.644 54.387 56.100 -0.114 0.000 1.140 345 R CB -0.203 29.978 30.300 -0.199 0.000 1.073 345 R HN -0.078 nan 8.270 nan 0.000 0.527 346 P HA 0.012 nan 4.420 nan 0.000 0.269 346 P C -0.043 177.253 177.300 -0.006 0.000 1.209 346 P CA 0.216 63.335 63.100 0.032 0.000 0.776 346 P CB 0.780 32.486 31.700 0.011 0.000 0.876 347 S N 1.846 117.613 115.700 0.112 0.000 2.370 347 S HA -0.197 4.272 4.470 -0.002 0.000 0.226 347 S C 1.282 175.937 174.600 0.092 0.000 1.033 347 S CA 1.511 59.796 58.200 0.142 0.000 1.011 347 S CB -0.511 62.855 63.200 0.277 0.000 0.852 347 S HN 0.543 nan 8.310 nan 0.000 0.457 348 K N 0.886 121.326 120.400 0.067 0.000 2.432 348 K HA 0.061 4.380 4.320 -0.002 0.000 0.196 348 K C 1.587 178.203 176.600 0.027 0.000 1.038 348 K CA 0.640 56.959 56.287 0.053 0.000 0.986 348 K CB 0.039 32.562 32.500 0.039 0.000 0.782 348 K HN 0.429 nan 8.250 nan 0.000 0.485 349 E N 0.495 120.690 120.200 -0.007 0.000 2.452 349 E HA 0.023 4.372 4.350 -0.002 0.000 0.197 349 E C -0.324 176.232 176.600 -0.074 0.000 1.022 349 E CA 0.015 56.392 56.400 -0.038 0.000 0.890 349 E CB 0.677 30.344 29.700 -0.055 0.000 0.918 349 E HN -0.039 nan 8.360 nan 0.000 0.496 350 V N 2.894 122.752 119.914 -0.094 0.000 2.465 350 V HA 0.068 4.187 4.120 -0.002 0.000 0.279 350 V C 0.510 176.562 176.094 -0.071 0.000 1.045 350 V CA -0.579 61.593 62.300 -0.213 0.000 0.938 350 V CB 1.375 32.864 31.823 -0.555 0.000 0.986 350 V HN 0.058 nan 8.190 nan 0.000 0.467 351 E N 2.477 122.615 120.200 -0.104 0.000 2.398 351 E HA -0.014 4.335 4.350 -0.002 0.000 0.263 351 E C 0.701 177.371 176.600 0.116 0.000 1.046 351 E CA 0.038 56.444 56.400 0.010 0.000 0.908 351 E CB 0.988 30.677 29.700 -0.017 0.000 0.963 351 E HN 0.808 nan 8.360 nan 0.000 0.431 352 D N 1.746 122.273 120.400 0.213 0.000 2.178 352 D HA -0.174 4.465 4.640 -0.002 0.000 0.201 352 D C 0.750 177.190 176.300 0.233 0.000 0.980 352 D CA 1.330 55.523 54.000 0.322 0.000 0.842 352 D CB 0.296 41.244 40.800 0.248 0.000 0.948 352 D HN 0.298 nan 8.370 nan 0.000 0.472 353 D N 0.295 120.774 120.400 0.132 0.000 2.117 353 D HA -0.119 4.520 4.640 -0.002 0.000 0.198 353 D C 1.905 178.249 176.300 0.073 0.000 0.982 353 D CA 0.741 54.798 54.000 0.094 0.000 0.828 353 D CB -0.370 40.465 40.800 0.058 0.000 0.967 353 D HN 0.490 nan 8.370 nan 0.000 0.464 354 E N -0.344 119.861 120.200 0.008 0.000 2.153 354 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 354 E C 1.939 178.534 176.600 -0.008 0.000 0.988 354 E CA 0.660 57.030 56.400 -0.051 0.000 0.811 354 E CB -0.139 29.454 29.700 -0.178 0.000 0.746 354 E HN 0.385 nan 8.360 nan 0.000 0.466 355 Y N 1.227 121.527 120.300 0.002 0.000 2.163 355 Y HA -0.132 4.418 4.550 -0.002 0.000 0.288 355 Y C 2.212 178.202 175.900 0.149 0.000 1.136 355 Y CA 1.112 59.208 58.100 -0.006 0.000 1.147 355 Y CB -0.090 38.035 38.460 -0.558 0.000 0.987 355 Y HN -0.126 nan 8.280 nan 0.000 0.509 356 K N -0.378 120.160 120.400 0.229 0.000 2.147 356 K HA -0.134 4.185 4.320 -0.002 0.000 0.205 356 K C 2.251 178.944 176.600 0.155 0.000 1.049 356 K CA 1.034 57.432 56.287 0.185 0.000 0.936 356 K CB -0.264 32.326 32.500 0.149 0.000 0.722 356 K HN 0.287 nan 8.250 nan 0.000 0.446 357 A N 0.618 123.524 122.820 0.144 0.000 1.930 357 A HA -0.098 4.221 4.320 -0.002 0.000 0.215 357 A C 1.904 179.554 177.584 0.111 0.000 1.176 357 A CA 0.662 52.757 52.037 0.097 0.000 0.632 357 A CB -0.518 18.529 19.000 0.077 0.000 0.819 357 A HN 0.356 nan 8.150 nan 0.000 0.445 358 F N -0.829 119.160 119.950 0.065 0.000 2.171 358 F HA -0.185 4.341 4.527 -0.002 0.000 0.300 358 F C 2.071 177.875 175.800 0.006 0.000 1.090 358 F CA 1.906 59.979 58.000 0.121 0.000 1.293 358 F CB -0.302 38.855 39.000 0.260 0.000 1.013 358 F HN 0.389 nan 8.300 nan 0.000 0.486 359 Y N 1.505 121.584 120.300 -0.368 0.000 2.181 359 Y HA -0.194 4.355 4.550 -0.002 0.000 0.288 359 Y C 2.124 177.457 175.900 -0.946 0.000 1.146 359 Y CA 2.054 59.557 58.100 -0.994 0.000 1.164 359 Y CB -0.482 37.397 38.460 -0.968 0.000 0.982 359 Y HN -0.005 nan 8.280 nan 0.000 0.515 360 K N -0.034 120.052 120.400 -0.524 0.000 2.288 360 K HA -0.101 4.218 4.320 -0.002 0.000 0.201 360 K C 2.272 178.584 176.600 -0.481 0.000 1.048 360 K CA 1.146 57.141 56.287 -0.485 0.000 0.956 360 K CB -0.220 32.172 32.500 -0.180 0.000 0.746 360 K HN 0.457 nan 8.250 nan 0.000 0.461 361 S N 1.350 116.791 115.700 -0.432 0.000 2.399 361 S HA -0.167 4.302 4.470 -0.002 0.000 0.231 361 S C 1.538 176.007 174.600 -0.218 0.000 1.022 361 S CA 0.903 58.948 58.200 -0.259 0.000 0.983 361 S CB -0.547 62.561 63.200 -0.153 0.000 0.803 361 S HN 0.474 nan 8.310 nan 0.000 0.480 362 F N 1.185 120.898 119.950 -0.395 0.000 2.668 362 F HA 0.645 5.171 4.527 -0.002 0.000 0.301 362 F C 0.988 176.594 175.800 -0.322 0.000 1.106 362 F CA -0.207 57.608 58.000 -0.309 0.000 1.289 362 F CB 0.135 38.967 39.000 -0.280 0.000 1.006 362 F HN 0.286 nan 8.300 nan 0.000 0.535 363 S N -1.976 113.374 115.700 -0.583 0.000 2.800 363 S HA 0.490 4.959 4.470 -0.002 0.000 0.266 363 S C 0.875 175.243 174.600 -0.386 0.000 1.029 363 S CA 0.308 58.189 58.200 -0.533 0.000 1.302 363 S CB -0.152 62.555 63.200 -0.823 0.000 1.212 363 S HN 0.653 nan 8.310 nan 0.000 0.683 364 K N 1.887 122.088 120.400 -0.331 0.000 1.867 364 K HA -0.372 3.947 4.320 -0.002 0.000 0.140 364 K C 0.759 177.241 176.600 -0.196 0.000 1.408 364 K CA 2.802 58.960 56.287 -0.215 0.000 0.461 364 K CB -2.528 29.886 32.500 -0.143 0.000 0.594 364 K HN 0.930 nan 8.250 nan 0.000 0.888 365 E N -2.459 117.666 120.200 -0.126 0.000 4.250 365 E HA -0.224 4.125 4.350 -0.002 0.000 0.325 365 E C 0.630 177.202 176.600 -0.047 0.000 0.640 365 E CA 2.339 58.691 56.400 -0.080 0.000 1.343 365 E CB -1.739 27.914 29.700 -0.078 0.000 1.759 365 E HN 2.198 nan 8.360 nan 0.000 0.401 366 S N 0.835 116.501 115.700 -0.058 0.000 3.587 366 S HA -0.230 4.239 4.470 -0.002 0.000 0.337 366 S C -0.723 173.881 174.600 0.007 0.000 1.119 366 S CA 1.527 59.710 58.200 -0.029 0.000 0.976 366 S CB -1.131 62.053 63.200 -0.026 0.000 0.922 366 S HN 0.524 nan 8.310 nan 0.000 0.503 367 D N -0.391 120.030 120.400 0.036 0.000 2.645 367 D HA 0.560 5.200 4.640 -0.002 0.000 0.228 367 D C -0.796 175.575 176.300 0.118 0.000 1.148 367 D CA -0.825 53.214 54.000 0.065 0.000 0.860 367 D CB 0.511 41.342 40.800 0.052 0.000 1.548 367 D HN -0.007 nan 8.370 nan 0.000 0.460 368 D N 1.060 121.504 120.400 0.073 0.000 2.400 368 D HA 0.221 4.860 4.640 -0.002 0.000 0.238 368 D C -1.783 174.460 176.300 -0.095 0.000 1.157 368 D CA -0.507 53.510 54.000 0.029 0.000 0.889 368 D CB 0.255 41.084 40.800 0.047 0.000 1.199 368 D HN 0.256 nan 8.370 nan 0.000 0.436 369 P HA 0.113 nan 4.420 nan 0.000 0.278 369 P C 0.446 177.717 177.300 -0.048 0.000 1.266 369 P CA -0.507 62.303 63.100 -0.483 0.000 0.807 369 P CB 1.065 32.300 31.700 -0.775 0.000 1.094 370 M N 0.119 119.755 119.600 0.060 0.000 2.288 370 M HA 0.126 4.605 4.480 -0.002 0.000 0.266 370 M C 0.370 176.749 176.300 0.131 0.000 1.072 370 M CA 1.419 56.801 55.300 0.137 0.000 1.132 370 M CB -0.030 32.711 32.600 0.235 0.000 1.386 370 M HN 0.553 nan 8.290 nan 0.000 0.432 371 A N -1.213 121.699 122.820 0.154 0.000 2.540 371 A HA 0.571 4.890 4.320 -0.002 0.000 0.291 371 A C -1.983 175.698 177.584 0.161 0.000 1.083 371 A CA -0.673 51.414 52.037 0.082 0.000 0.650 371 A CB 0.753 19.748 19.000 -0.009 0.000 1.292 371 A HN 0.507 nan 8.150 nan 0.000 0.435 372 Y N -1.822 118.423 120.300 -0.092 0.000 2.641 372 Y HA 0.746 5.295 4.550 -0.002 0.000 0.333 372 Y C -1.190 174.554 175.900 -0.260 0.000 1.174 372 Y CA -1.168 56.761 58.100 -0.286 0.000 1.057 372 Y CB 0.775 38.900 38.460 -0.558 0.000 1.322 372 Y HN 1.192 nan 8.280 nan 0.000 0.457 373 I N 0.390 120.907 120.570 -0.088 0.000 2.619 373 I HA 0.532 4.701 4.170 -0.002 0.000 0.292 373 I C -1.570 174.626 176.117 0.132 0.000 1.100 373 I CA -0.871 60.417 61.300 -0.019 0.000 1.043 373 I CB 2.513 40.523 38.000 0.017 0.000 1.239 373 I HN 0.925 nan 8.210 nan 0.000 0.420 374 H N 7.133 126.236 119.070 0.054 0.000 2.551 374 H HA 0.582 5.137 4.556 -0.002 0.000 0.321 374 H C -1.964 173.458 175.328 0.156 0.000 1.028 374 H CA -0.544 55.555 56.048 0.085 0.000 1.215 374 H CB 1.421 31.279 29.762 0.159 0.000 1.414 374 H HN 0.723 nan 8.280 nan 0.000 0.480 375 F N 1.696 121.424 119.950 -0.370 0.000 2.613 375 F HA 0.496 5.022 4.527 -0.002 0.000 0.314 375 F C -1.071 174.518 175.800 -0.353 0.000 1.075 375 F CA -1.064 56.773 58.000 -0.272 0.000 0.945 375 F CB 1.911 40.812 39.000 -0.165 0.000 1.310 375 F HN 0.294 nan 8.300 nan 0.000 0.467 376 T N 1.412 115.907 114.554 -0.097 0.000 2.841 376 T HA 0.787 5.136 4.350 -0.002 0.000 0.283 376 T C -0.889 173.739 174.700 -0.121 0.000 1.000 376 T CA -0.342 61.636 62.100 -0.204 0.000 0.977 376 T CB 0.948 69.748 68.868 -0.114 0.000 0.979 376 T HN 1.149 nan 8.240 nan 0.000 0.446 377 A N 4.156 126.761 122.820 -0.358 0.000 2.305 377 A HA 0.795 5.114 4.320 -0.002 0.000 0.322 377 A C -0.156 177.317 177.584 -0.186 0.000 1.187 377 A CA -0.604 51.236 52.037 -0.328 0.000 0.825 377 A CB 0.703 19.256 19.000 -0.746 0.000 1.164 377 A HN 0.795 nan 8.150 nan 0.000 0.498 378 E N 0.148 120.292 120.200 -0.092 0.000 2.320 378 E HA 0.714 5.063 4.350 -0.002 0.000 0.264 378 E C 0.559 177.152 176.600 -0.011 0.000 0.923 378 E CA 0.348 56.724 56.400 -0.040 0.000 0.796 378 E CB 1.950 31.634 29.700 -0.027 0.000 1.262 378 E HN 1.411 nan 8.360 nan 0.000 0.428 379 G N 1.568 110.373 108.800 0.007 0.000 2.785 379 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.218 379 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.218 379 G C 0.869 175.792 174.900 0.038 0.000 1.251 379 G CA 0.243 45.356 45.100 0.021 0.000 1.129 379 G HN 0.520 nan 8.290 nan 0.000 0.573 380 E N -0.276 119.954 120.200 0.051 0.000 2.047 380 E HA 0.172 4.521 4.350 -0.002 0.000 0.191 380 E C 0.876 177.526 176.600 0.084 0.000 0.987 380 E CA 1.588 58.025 56.400 0.062 0.000 0.799 380 E CB 0.034 29.773 29.700 0.064 0.000 0.752 380 E HN 0.771 nan 8.360 nan 0.000 0.449 381 V N 1.584 121.568 119.914 0.116 0.000 2.487 381 V HA 0.303 4.422 4.120 -0.002 0.000 0.298 381 V C -0.577 175.630 176.094 0.188 0.000 1.028 381 V CA -0.326 62.076 62.300 0.170 0.000 0.860 381 V CB 1.605 33.561 31.823 0.222 0.000 0.991 381 V HN 0.343 nan 8.190 nan 0.000 0.427 382 T N 4.571 119.224 114.554 0.165 0.000 2.824 382 T HA 0.865 5.214 4.350 -0.002 0.000 0.280 382 T C -0.778 174.059 174.700 0.228 0.000 0.995 382 T CA -0.482 61.678 62.100 0.100 0.000 1.009 382 T CB 1.271 70.170 68.868 0.052 0.000 0.955 382 T HN 1.356 nan 8.240 nan 0.000 0.452 383 F N -1.294 118.663 119.950 0.012 0.000 2.746 383 F HA 0.667 5.193 4.527 -0.002 0.000 0.311 383 F C -1.630 174.123 175.800 -0.078 0.000 1.135 383 F CA -1.383 56.604 58.000 -0.021 0.000 0.954 383 F CB 1.157 40.139 39.000 -0.030 0.000 1.276 383 F HN 0.585 nan 8.300 nan 0.000 0.440 384 K N 1.536 121.967 120.400 0.053 0.000 2.156 384 K HA 0.798 5.117 4.320 -0.002 0.000 0.250 384 K C -1.031 175.465 176.600 -0.174 0.000 0.955 384 K CA -1.132 55.062 56.287 -0.156 0.000 0.855 384 K CB 2.001 34.504 32.500 0.005 0.000 1.101 384 K HN 0.784 nan 8.250 nan 0.000 0.434 385 S N 1.578 116.943 115.700 -0.558 0.000 2.565 385 S HA 0.587 5.056 4.470 -0.002 0.000 0.269 385 S C -1.757 172.536 174.600 -0.511 0.000 1.153 385 S CA -0.780 57.109 58.200 -0.518 0.000 0.835 385 S CB 0.869 63.760 63.200 -0.515 0.000 1.122 385 S HN 0.506 nan 8.310 nan 0.000 0.462 386 I N 3.436 123.905 120.570 -0.168 0.000 2.478 386 I HA 0.448 4.617 4.170 -0.002 0.000 0.287 386 I C -1.164 174.977 176.117 0.040 0.000 1.042 386 I CA -0.573 60.721 61.300 -0.009 0.000 1.067 386 I CB 1.705 39.824 38.000 0.198 0.000 1.233 386 I HN 0.436 nan 8.210 nan 0.000 0.431 387 L N 5.783 127.001 121.223 -0.007 0.000 2.346 387 L HA 0.618 4.957 4.340 -0.002 0.000 0.274 387 L C -1.025 175.808 176.870 -0.063 0.000 1.007 387 L CA -0.551 54.339 54.840 0.085 0.000 0.818 387 L CB 1.859 44.011 42.059 0.154 0.000 1.284 387 L HN 0.362 nan 8.230 nan 0.000 0.424 388 F N 1.099 121.222 119.950 0.287 0.000 2.556 388 F HA 0.615 5.141 4.527 -0.002 0.000 0.327 388 F C -0.123 175.795 175.800 0.197 0.000 1.059 388 F CA -0.862 57.308 58.000 0.283 0.000 0.953 388 F CB 2.199 41.451 39.000 0.420 0.000 1.227 388 F HN -0.064 nan 8.300 nan 0.000 0.478 389 V N 3.976 124.119 119.914 0.382 0.000 2.376 389 V HA 0.351 4.470 4.120 -0.002 0.000 0.287 389 V C -2.161 174.110 176.094 0.294 0.000 1.015 389 V CA -1.789 60.705 62.300 0.324 0.000 0.834 389 V CB 1.233 33.248 31.823 0.319 0.000 1.001 389 V HN 0.485 nan 8.190 nan 0.000 0.428 390 P HA 0.180 nan 4.420 nan 0.000 0.277 390 P C 0.648 178.168 177.300 0.366 0.000 1.276 390 P CA 0.014 63.316 63.100 0.336 0.000 0.788 390 P CB 0.674 32.644 31.700 0.450 0.000 1.114 391 T N -4.837 109.875 114.554 0.262 0.000 3.069 391 T HA 0.245 4.594 4.350 -0.002 0.000 0.252 391 T C 0.402 175.150 174.700 0.080 0.000 1.053 391 T CA -0.047 62.162 62.100 0.182 0.000 0.964 391 T CB -0.271 68.655 68.868 0.098 0.000 1.005 391 T HN 0.319 nan 8.240 nan 0.000 0.532 392 S N -0.386 115.399 115.700 0.141 0.000 2.533 392 S HA 0.714 5.183 4.470 -0.002 0.000 0.271 392 S C 0.913 175.575 174.600 0.102 0.000 1.143 392 S CA -0.451 57.742 58.200 -0.012 0.000 0.891 392 S CB 1.742 64.931 63.200 -0.019 0.000 1.105 392 S HN 0.272 nan 8.310 nan 0.000 0.468 393 A N 2.935 125.729 122.820 -0.043 0.000 1.854 393 A HA 0.657 4.976 4.320 -0.002 0.000 0.214 393 A C 0.518 178.152 177.584 0.082 0.000 1.192 393 A CA 1.629 53.733 52.037 0.112 0.000 0.611 393 A CB -2.203 16.788 19.000 -0.015 0.000 0.832 393 A HN 1.816 nan 8.150 nan 0.000 0.442 409 I N 2.563 123.120 120.570 -0.023 0.000 2.439 409 I HA 0.330 4.499 4.170 -0.002 0.000 0.285 409 I C -0.677 175.363 176.117 -0.128 0.000 1.021 409 I CA -1.189 60.080 61.300 -0.051 0.000 1.091 409 I CB 1.488 39.458 38.000 -0.051 0.000 1.242 409 I HN 0.034 nan 8.210 nan 0.000 0.439 410 K N 6.140 126.459 120.400 -0.136 0.000 2.383 410 K HA 0.288 4.607 4.320 -0.002 0.000 0.286 410 K C -0.637 175.867 176.600 -0.159 0.000 1.051 410 K CA -0.551 55.673 56.287 -0.105 0.000 0.974 410 K CB 1.301 33.800 32.500 -0.000 0.000 0.968 410 K HN 0.332 nan 8.250 nan 0.000 0.475 411 L N 4.139 125.146 121.223 -0.361 0.000 2.307 411 L HA 0.377 4.716 4.340 -0.002 0.000 0.284 411 L C -1.497 175.067 176.870 -0.510 0.000 1.023 411 L CA -0.484 54.114 54.840 -0.404 0.000 0.810 411 L CB 0.592 42.307 42.059 -0.573 0.000 1.231 411 L HN 0.437 nan 8.230 nan 0.000 0.423 412 Y N 3.984 124.138 120.300 -0.245 0.000 2.346 412 Y HA 0.585 5.134 4.550 -0.002 0.000 0.332 412 Y C -0.504 175.331 175.900 -0.108 0.000 0.985 412 Y CA -0.877 57.148 58.100 -0.125 0.000 1.112 412 Y CB 2.232 40.673 38.460 -0.033 0.000 1.170 412 Y HN 0.282 nan 8.280 nan 0.000 0.447 413 V N 4.810 124.732 119.914 0.014 0.000 2.347 413 V HA 0.363 4.482 4.120 -0.002 0.000 0.280 413 V C 0.115 176.241 176.094 0.053 0.000 1.021 413 V CA -1.067 61.230 62.300 -0.005 0.000 0.847 413 V CB 1.051 32.825 31.823 -0.081 0.000 0.990 413 V HN 0.828 nan 8.190 nan 0.000 0.444 414 R N 4.123 124.667 120.500 0.073 0.000 3.416 414 R HA -0.208 4.131 4.340 -0.002 0.000 0.263 414 R C 0.710 177.084 176.300 0.123 0.000 1.053 414 R CA 0.623 56.773 56.100 0.083 0.000 0.705 414 R CB -1.305 29.024 30.300 0.048 0.000 1.124 414 R HN 0.836 nan 8.270 nan 0.000 0.444 415 R N -3.278 117.340 120.500 0.195 0.000 3.878 415 R HA -0.179 4.160 4.340 -0.002 0.000 0.330 415 R C -0.691 175.804 176.300 0.324 0.000 1.186 415 R CA 1.198 57.456 56.100 0.265 0.000 0.885 415 R CB -1.517 28.881 30.300 0.163 0.000 1.377 415 R HN 0.139 nan 8.270 nan 0.000 0.523 416 V N 1.482 121.570 119.914 0.289 0.000 2.448 416 V HA 0.303 4.422 4.120 -0.002 0.000 0.295 416 V C 0.154 176.352 176.094 0.173 0.000 1.025 416 V CA -0.764 61.677 62.300 0.234 0.000 0.859 416 V CB 1.291 33.171 31.823 0.095 0.000 0.988 416 V HN 0.156 nan 8.190 nan 0.000 0.431 417 F N 5.881 125.826 119.950 -0.008 0.000 2.590 417 F HA 0.170 4.696 4.527 -0.002 0.000 0.389 417 F C 0.916 176.498 175.800 -0.363 0.000 1.049 417 F CA 0.112 57.826 58.000 -0.477 0.000 1.199 417 F CB 0.434 39.250 39.000 -0.307 0.000 1.058 417 F HN 0.341 nan 8.300 nan 0.000 0.556 418 I N 3.136 123.054 120.570 -1.086 0.000 2.899 418 I HA 0.106 4.275 4.170 -0.002 0.000 0.257 418 I C 1.107 176.550 176.117 -1.123 0.000 1.115 418 I CA 1.017 61.795 61.300 -0.870 0.000 1.451 418 I CB -0.731 36.883 38.000 -0.644 0.000 1.251 418 I HN 0.678 nan 8.210 nan 0.000 0.456 419 T N -0.079 113.646 114.554 -1.381 0.000 2.684 419 T HA 0.214 4.563 4.350 -0.002 0.000 0.294 419 T C -1.613 172.674 174.700 -0.688 0.000 1.783 419 T CA 0.289 61.799 62.100 -0.984 0.000 0.963 419 T CB 0.727 69.243 68.868 -0.586 0.000 2.009 419 T HN 0.275 nan 8.240 nan 0.000 0.448 420 D N -1.172 119.007 120.400 -0.369 0.000 2.601 420 D HA 0.205 4.844 4.640 -0.002 0.000 0.350 420 D C 0.191 176.329 176.300 -0.269 0.000 1.386 420 D CA -0.204 53.645 54.000 -0.252 0.000 0.929 420 D CB -0.220 40.523 40.800 -0.096 0.000 1.456 420 D HN 0.319 nan 8.370 nan 0.000 0.430 421 D N 0.152 120.447 120.400 -0.174 0.000 2.347 421 D HA 0.051 4.690 4.640 -0.002 0.000 0.213 421 D C 0.076 176.367 176.300 -0.016 0.000 0.985 421 D CA 0.163 54.099 54.000 -0.106 0.000 0.879 421 D CB -0.098 40.716 40.800 0.024 0.000 0.919 421 D HN 0.316 nan 8.370 nan 0.000 0.526 422 F N 1.564 121.352 119.950 -0.272 0.000 2.506 422 F HA -0.055 4.471 4.527 -0.002 0.000 0.353 422 F C 1.879 177.530 175.800 -0.247 0.000 1.194 422 F CA -0.108 57.773 58.000 -0.198 0.000 1.048 422 F CB 0.330 39.219 39.000 -0.185 0.000 1.160 422 F HN 0.040 nan 8.300 nan 0.000 0.598 423 H N 1.913 120.976 119.070 -0.011 0.000 2.551 423 H HA -0.055 4.500 4.556 -0.002 0.000 0.266 423 H C 1.232 176.537 175.328 -0.037 0.000 0.964 423 H CA 0.770 56.799 56.048 -0.031 0.000 1.180 423 H CB 0.206 29.940 29.762 -0.047 0.000 1.408 423 H HN 0.614 nan 8.280 nan 0.000 0.563 424 D N -0.249 120.162 120.400 0.018 0.000 2.370 424 D HA -0.042 4.597 4.640 -0.002 0.000 0.230 424 D C 1.557 177.852 176.300 -0.009 0.000 1.143 424 D CA -0.051 53.941 54.000 -0.013 0.000 0.834 424 D CB 0.031 40.791 40.800 -0.066 0.000 0.944 424 D HN 0.095 nan 8.370 nan 0.000 0.504 425 M N -0.268 119.335 119.600 0.006 0.000 2.160 425 M HA 0.104 4.583 4.480 -0.002 0.000 0.264 425 M C 0.721 177.000 176.300 -0.035 0.000 1.073 425 M CA 0.917 56.215 55.300 -0.004 0.000 1.142 425 M CB -0.189 32.404 32.600 -0.013 0.000 1.358 425 M HN 0.091 nan 8.290 nan 0.000 0.422 426 M N 0.775 120.346 119.600 -0.048 0.000 2.537 426 M HA 0.404 4.883 4.480 -0.002 0.000 0.324 426 M C -2.129 174.121 176.300 -0.084 0.000 1.187 426 M CA -2.634 52.608 55.300 -0.096 0.000 0.993 426 M CB 0.662 33.175 32.600 -0.145 0.000 1.666 426 M HN -0.121 nan 8.290 nan 0.000 0.461 427 P HA 0.132 nan 4.420 nan 0.000 0.272 427 P C 0.465 177.732 177.300 -0.055 0.000 1.240 427 P CA -0.203 62.860 63.100 -0.062 0.000 0.791 427 P CB 1.009 32.686 31.700 -0.038 0.000 0.978 428 K N 1.628 122.069 120.400 0.068 0.000 2.066 428 K HA -0.259 4.060 4.320 -0.002 0.000 0.221 428 K C 2.020 178.706 176.600 0.143 0.000 1.056 428 K CA 2.516 58.870 56.287 0.111 0.000 0.950 428 K CB -0.874 31.712 32.500 0.144 0.000 0.726 428 K HN 0.631 nan 8.250 nan 0.000 0.456 429 Y N -0.709 119.645 120.300 0.089 0.000 2.639 429 Y HA 0.102 4.651 4.550 -0.001 0.000 0.297 429 Y C 0.955 176.988 175.900 0.222 0.000 1.151 429 Y CA 0.241 58.427 58.100 0.144 0.000 1.335 429 Y CB -0.042 38.493 38.460 0.125 0.000 0.994 429 Y HN -0.006 nan 8.280 nan 0.000 0.548 430 L N 2.217 123.214 121.223 -0.377 0.000 3.017 430 L HA 0.155 4.494 4.340 -0.002 0.000 0.255 430 L C 0.985 177.640 176.870 -0.357 0.000 1.247 430 L CA -0.226 54.323 54.840 -0.486 0.000 1.038 430 L CB -0.209 41.443 42.059 -0.678 0.000 1.380 430 L HN 0.321 nan 8.230 nan 0.000 0.548 431 N N 0.464 119.136 118.700 -0.047 0.000 2.550 431 N HA -0.209 4.530 4.740 -0.002 0.000 0.186 431 N C 1.351 176.934 175.510 0.122 0.000 1.110 431 N CA 0.727 53.809 53.050 0.055 0.000 0.912 431 N CB -0.365 38.210 38.487 0.148 0.000 0.968 431 N HN 0.530 nan 8.380 nan 0.000 0.448 432 F N -0.560 119.410 119.950 0.032 0.000 2.664 432 F HA 0.383 4.909 4.527 -0.002 0.000 0.296 432 F C 0.382 176.203 175.800 0.034 0.000 1.125 432 F CA -0.795 57.226 58.000 0.035 0.000 1.444 432 F CB -0.639 38.322 39.000 -0.066 0.000 1.114 432 F HN -0.236 nan 8.300 nan 0.000 0.576 433 V N 3.313 122.868 119.914 -0.599 0.000 2.485 433 V HA 0.082 4.201 4.120 -0.002 0.000 0.287 433 V C 0.086 176.199 176.094 0.031 0.000 1.022 433 V CA -0.424 61.672 62.300 -0.340 0.000 1.067 433 V CB 0.193 31.746 31.823 -0.450 0.000 0.967 433 V HN 0.236 nan 8.190 nan 0.000 0.479 434 K N 3.283 123.831 120.400 0.246 0.000 2.208 434 K HA 0.861 5.180 4.320 -0.002 0.000 0.247 434 K C 0.272 177.193 176.600 0.536 0.000 0.953 434 K CA -0.283 56.245 56.287 0.402 0.000 0.837 434 K CB 2.212 35.011 32.500 0.498 0.000 1.131 434 K HN 0.938 nan 8.250 nan 0.000 0.431 435 G N -0.266 108.785 108.800 0.417 0.000 2.327 435 G HA2 0.290 4.249 3.960 -0.002 0.000 0.291 435 G HA3 0.290 4.249 3.960 -0.002 0.000 0.291 435 G C -1.668 173.264 174.900 0.054 0.000 1.290 435 G CA -0.548 44.794 45.100 0.405 0.000 0.857 435 G HN 0.517 nan 8.290 nan 0.000 0.520 436 V N -2.499 117.437 119.914 0.037 0.000 2.769 436 V HA 0.922 5.041 4.120 -0.002 0.000 0.312 436 V C -0.477 175.453 176.094 -0.273 0.000 1.061 436 V CA -1.106 61.062 62.300 -0.218 0.000 0.931 436 V CB 1.562 33.054 31.823 -0.553 0.000 1.010 436 V HN 1.117 nan 8.190 nan 0.000 0.433 437 V N 2.730 122.476 119.914 -0.279 0.000 2.525 437 V HA 0.508 4.627 4.120 -0.002 0.000 0.299 437 V C -1.174 174.795 176.094 -0.208 0.000 1.034 437 V CA -0.078 62.079 62.300 -0.238 0.000 0.863 437 V CB 1.622 33.292 31.823 -0.254 0.000 0.999 437 V HN 1.053 nan 8.190 nan 0.000 0.423 438 D N 3.029 123.338 120.400 -0.152 0.000 2.458 438 D HA 0.321 4.960 4.640 -0.002 0.000 0.258 438 D C 0.130 176.495 176.300 0.109 0.000 1.134 438 D CA 0.267 54.264 54.000 -0.005 0.000 0.915 438 D CB 1.500 42.332 40.800 0.054 0.000 1.028 438 D HN 0.493 nan 8.370 nan 0.000 0.508 439 S N 1.817 117.544 115.700 0.044 0.000 2.624 439 S HA 0.327 4.796 4.470 -0.002 0.000 0.263 439 S C 0.311 174.959 174.600 0.079 0.000 1.287 439 S CA -0.360 57.882 58.200 0.069 0.000 0.990 439 S CB 0.685 63.856 63.200 -0.048 0.000 0.950 439 S HN 0.501 nan 8.310 nan 0.000 0.561 440 D N 0.160 120.609 120.400 0.081 0.000 2.672 440 D HA 0.197 4.836 4.640 -0.002 0.000 0.287 440 D C -0.508 175.816 176.300 0.041 0.000 1.559 440 D CA -0.244 53.792 54.000 0.060 0.000 0.796 440 D CB -0.163 40.680 40.800 0.072 0.000 1.181 440 D HN 0.399 nan 8.370 nan 0.000 0.458 441 D N 0.295 120.713 120.400 0.030 0.000 2.482 441 D HA 0.180 4.820 4.640 -0.002 0.000 0.251 441 D C 1.158 177.435 176.300 -0.038 0.000 1.073 441 D CA -0.004 54.006 54.000 0.017 0.000 0.892 441 D CB 1.241 42.072 40.800 0.051 0.000 1.202 441 D HN 0.171 nan 8.370 nan 0.000 0.496 442 L N 3.228 124.405 121.223 -0.075 0.000 2.499 442 L HA 0.119 4.458 4.340 -0.002 0.000 0.281 442 L C -1.884 174.886 176.870 -0.167 0.000 1.234 442 L CA -1.076 53.662 54.840 -0.170 0.000 0.839 442 L CB -0.201 41.768 42.059 -0.151 0.000 1.104 442 L HN -0.125 nan 8.230 nan 0.000 0.500 443 P HA -0.003 nan 4.420 nan 0.000 0.275 443 P C 0.321 177.559 177.300 -0.103 0.000 1.276 443 P CA -0.252 62.758 63.100 -0.149 0.000 0.782 443 P CB 1.143 32.745 31.700 -0.164 0.000 0.851 444 L N 4.610 125.791 121.223 -0.071 0.000 2.044 444 L HA -0.001 4.338 4.340 -0.002 0.000 0.205 444 L C 0.938 177.777 176.870 -0.050 0.000 1.075 444 L CA 1.743 56.547 54.840 -0.060 0.000 0.747 444 L CB -0.743 41.294 42.059 -0.037 0.000 0.903 444 L HN 0.215 nan 8.230 nan 0.000 0.435 445 N N 0.674 119.352 118.700 -0.036 0.000 3.250 445 N HA 0.369 5.108 4.740 -0.002 0.000 0.307 445 N C 0.001 175.497 175.510 -0.022 0.000 1.355 445 N CA 0.697 53.732 53.050 -0.026 0.000 1.192 445 N CB 0.221 38.699 38.487 -0.016 0.000 1.478 445 N HN 0.362 nan 8.380 nan 0.000 0.543 446 V N -1.508 118.390 119.914 -0.027 0.000 3.105 446 V HA 0.632 4.751 4.120 -0.002 0.000 0.311 446 V C 0.242 176.329 176.094 -0.012 0.000 1.287 446 V CA -0.975 61.316 62.300 -0.015 0.000 1.066 446 V CB 1.596 33.411 31.823 -0.012 0.000 1.105 446 V HN 0.196 nan 8.190 nan 0.000 0.462 447 S N -1.283 114.418 115.700 0.002 0.000 2.681 447 S HA 0.463 4.932 4.470 -0.002 0.000 0.270 447 S C 0.991 175.609 174.600 0.031 0.000 1.209 447 S CA 0.053 58.258 58.200 0.008 0.000 0.988 447 S CB 1.313 64.518 63.200 0.008 0.000 1.006 447 S HN 0.690 nan 8.310 nan 0.000 0.558 448 R N 0.960 121.487 120.500 0.046 0.000 2.193 448 R HA 0.167 4.507 4.340 -0.002 0.000 0.213 448 R C 2.411 178.748 176.300 0.062 0.000 1.055 448 R CA 1.582 57.756 56.100 0.123 0.000 0.995 448 R CB -0.837 29.548 30.300 0.141 0.000 0.893 448 R HN 0.815 nan 8.270 nan 0.000 0.459 449 E N -0.473 119.732 120.200 0.009 0.000 2.076 449 E HA -0.070 4.279 4.350 -0.002 0.000 0.190 449 E C 1.912 178.504 176.600 -0.013 0.000 0.979 449 E CA 1.587 57.969 56.400 -0.030 0.000 0.807 449 E CB -1.035 28.650 29.700 -0.025 0.000 0.761 449 E HN 0.342 nan 8.360 nan 0.000 0.454 450 T N 0.807 115.372 114.554 0.019 0.000 2.674 450 T HA -0.114 4.235 4.350 -0.002 0.000 0.265 450 T C 2.021 176.769 174.700 0.081 0.000 1.039 450 T CA 1.420 63.547 62.100 0.045 0.000 1.150 450 T CB -0.391 68.506 68.868 0.047 0.000 0.864 450 T HN 0.254 nan 8.240 nan 0.000 0.427 451 L N 1.043 122.316 121.223 0.084 0.000 2.131 451 L HA -0.026 4.314 4.340 -0.002 0.000 0.210 451 L C 2.464 179.428 176.870 0.157 0.000 1.092 451 L CA 1.727 56.636 54.840 0.114 0.000 0.759 451 L CB -0.636 41.497 42.059 0.122 0.000 0.903 451 L HN 0.251 nan 8.230 nan 0.000 0.435 452 Q N -1.496 118.335 119.800 0.053 0.000 2.311 452 Q HA -0.115 4.224 4.340 -0.002 0.000 0.203 452 Q C 0.951 176.911 176.000 -0.067 0.000 0.954 452 Q CA 0.752 56.468 55.803 -0.144 0.000 0.885 452 Q CB 0.227 28.644 28.738 -0.536 0.000 0.963 452 Q HN 0.505 nan 8.270 nan 0.000 0.471 453 Q N -0.308 119.485 119.800 -0.011 0.000 2.201 453 Q HA 0.083 4.422 4.340 -0.002 0.000 0.217 453 Q C -0.479 175.544 176.000 0.038 0.000 0.860 453 Q CA 0.019 55.820 55.803 -0.003 0.000 0.984 453 Q CB 0.462 29.187 28.738 -0.022 0.000 1.095 453 Q HN 0.369 nan 8.270 nan 0.000 0.477 454 H N 0.382 119.447 119.070 -0.009 0.000 2.547 454 H HA 0.158 4.713 4.556 -0.002 0.000 0.362 454 H C 1.306 176.635 175.328 0.002 0.000 1.181 454 H CA 0.882 56.930 56.048 0.001 0.000 1.376 454 H CB 1.222 30.990 29.762 0.010 0.000 1.488 454 H HN 0.103 nan 8.280 nan 0.000 0.583 455 K N 3.704 123.836 120.400 -0.446 0.000 2.026 455 K HA -0.076 4.243 4.320 -0.002 0.000 0.208 455 K C 2.321 178.935 176.600 0.023 0.000 1.048 455 K CA 1.669 57.838 56.287 -0.196 0.000 0.929 455 K CB -0.902 31.434 32.500 -0.273 0.000 0.713 455 K HN 0.651 nan 8.250 nan 0.000 0.439 456 L N 0.585 121.937 121.223 0.215 0.000 2.465 456 L HA 0.019 4.358 4.340 -0.002 0.000 0.224 456 L C 2.562 179.501 176.870 0.115 0.000 1.145 456 L CA 0.067 55.015 54.840 0.181 0.000 0.834 456 L CB -0.238 41.947 42.059 0.209 0.000 0.944 456 L HN 0.311 nan 8.230 nan 0.000 0.451 457 L N 0.843 122.140 121.223 0.123 0.000 2.027 457 L HA -0.223 4.116 4.340 -0.002 0.000 0.206 457 L C 2.461 179.351 176.870 0.034 0.000 1.074 457 L CA 1.915 56.794 54.840 0.065 0.000 0.745 457 L CB -0.545 41.562 42.059 0.081 0.000 0.898 457 L HN 0.311 nan 8.230 nan 0.000 0.433 458 K N -0.834 119.588 120.400 0.036 0.000 2.209 458 K HA -0.131 4.188 4.320 -0.002 0.000 0.204 458 K C 1.923 178.547 176.600 0.039 0.000 1.048 458 K CA 1.258 57.563 56.287 0.030 0.000 0.940 458 K CB 0.164 32.680 32.500 0.026 0.000 0.729 458 K HN 0.255 nan 8.250 nan 0.000 0.451 459 V N 1.479 121.423 119.914 0.049 0.000 2.270 459 V HA -0.251 3.868 4.120 -0.002 0.000 0.245 459 V C 2.228 178.368 176.094 0.077 0.000 1.043 459 V CA 1.729 64.069 62.300 0.066 0.000 1.014 459 V CB -0.332 31.539 31.823 0.080 0.000 0.645 459 V HN 0.301 nan 8.190 nan 0.000 0.447 460 I N -0.028 120.569 120.570 0.044 0.000 2.286 460 I HA -0.276 3.893 4.170 -0.002 0.000 0.248 460 I C 2.728 178.842 176.117 -0.005 0.000 1.115 460 I CA 1.838 63.128 61.300 -0.016 0.000 1.392 460 I CB -0.494 37.362 38.000 -0.239 0.000 1.065 460 I HN 0.254 nan 8.210 nan 0.000 0.418 461 R N 1.728 122.224 120.500 -0.007 0.000 2.096 461 R HA -0.210 4.129 4.340 -0.002 0.000 0.240 461 R C 2.250 178.565 176.300 0.026 0.000 1.139 461 R CA 1.711 57.811 56.100 -0.000 0.000 0.952 461 R CB -0.085 30.216 30.300 0.002 0.000 0.854 461 R HN 0.279 nan 8.270 nan 0.000 0.436 462 K N 0.256 120.682 120.400 0.044 0.000 2.097 462 K HA -0.129 4.190 4.320 -0.002 0.000 0.205 462 K C 2.153 178.787 176.600 0.056 0.000 1.050 462 K CA 1.536 57.850 56.287 0.046 0.000 0.938 462 K CB -0.047 32.483 32.500 0.050 0.000 0.718 462 K HN 0.227 nan 8.250 nan 0.000 0.442 463 K N 0.910 121.372 120.400 0.105 0.000 2.148 463 K HA -0.060 4.260 4.320 -0.002 0.000 0.204 463 K C 2.124 178.799 176.600 0.124 0.000 1.050 463 K CA 0.856 57.221 56.287 0.131 0.000 0.942 463 K CB -0.066 32.596 32.500 0.270 0.000 0.724 463 K HN 0.071 nan 8.250 nan 0.000 0.446 464 L N 0.364 121.692 121.223 0.175 0.000 2.056 464 L HA -0.187 4.153 4.340 -0.002 0.000 0.207 464 L C 2.281 179.173 176.870 0.037 0.000 1.078 464 L CA 0.864 55.807 54.840 0.172 0.000 0.749 464 L CB -0.469 41.664 42.059 0.123 0.000 0.901 464 L HN -0.021 nan 8.230 nan 0.000 0.433 465 V N 0.253 120.169 119.914 0.004 0.000 2.261 465 V HA -0.329 3.790 4.120 -0.002 0.000 0.246 465 V C 3.214 179.294 176.094 -0.023 0.000 1.047 465 V CA 2.505 64.790 62.300 -0.024 0.000 1.015 465 V CB -1.195 30.623 31.823 -0.008 0.000 0.642 465 V HN 0.547 nan 8.190 nan 0.000 0.446 466 R N 0.159 120.641 120.500 -0.030 0.000 2.200 466 R HA -0.176 4.163 4.340 -0.002 0.000 0.234 466 R C 2.078 178.302 176.300 -0.127 0.000 1.127 466 R CA 1.637 57.703 56.100 -0.057 0.000 0.989 466 R CB -0.795 29.473 30.300 -0.053 0.000 0.869 466 R HN 0.504 nan 8.270 nan 0.000 0.459 467 K N -0.623 119.657 120.400 -0.200 0.000 2.128 467 K HA 0.032 4.351 4.320 -0.002 0.000 0.202 467 K C 2.273 178.769 176.600 -0.174 0.000 1.050 467 K CA 1.564 57.649 56.287 -0.336 0.000 0.966 467 K CB -0.353 31.661 32.500 -0.811 0.000 0.759 467 K HN 0.444 nan 8.250 nan 0.000 0.454 468 T N 2.892 117.394 114.554 -0.087 0.000 2.665 468 T HA -0.106 4.243 4.350 -0.002 0.000 0.268 468 T C 1.993 176.678 174.700 -0.025 0.000 1.035 468 T CA 1.198 63.274 62.100 -0.040 0.000 1.151 468 T CB -0.255 68.582 68.868 -0.052 0.000 0.862 468 T HN 0.095 nan 8.240 nan 0.000 0.438 469 L N 0.678 121.894 121.223 -0.011 0.000 2.201 469 L HA -0.075 4.264 4.340 -0.002 0.000 0.212 469 L C 2.294 179.147 176.870 -0.029 0.000 1.105 469 L CA 0.919 55.770 54.840 0.018 0.000 0.775 469 L CB -0.548 41.541 42.059 0.050 0.000 0.913 469 L HN 0.144 nan 8.230 nan 0.000 0.440 470 D N -0.254 120.104 120.400 -0.070 0.000 2.149 470 D HA -0.181 4.458 4.640 -0.002 0.000 0.201 470 D C 2.137 178.382 176.300 -0.092 0.000 0.972 470 D CA 1.017 54.963 54.000 -0.090 0.000 0.835 470 D CB -0.026 40.698 40.800 -0.127 0.000 0.966 470 D HN 0.250 nan 8.370 nan 0.000 0.476 471 M N 0.153 119.697 119.600 -0.092 0.000 2.086 471 M HA -0.141 4.338 4.480 -0.002 0.000 0.261 471 M C 1.881 178.122 176.300 -0.098 0.000 1.067 471 M CA 1.471 56.714 55.300 -0.095 0.000 1.116 471 M CB -0.046 32.511 32.600 -0.072 0.000 1.348 471 M HN -0.079 nan 8.290 nan 0.000 0.407 472 I N 1.122 121.634 120.570 -0.097 0.000 2.286 472 I HA -0.262 3.907 4.170 -0.002 0.000 0.248 472 I C 2.912 178.957 176.117 -0.120 0.000 1.115 472 I CA 1.645 62.843 61.300 -0.169 0.000 1.392 472 I CB -0.971 36.918 38.000 -0.185 0.000 1.065 472 I HN 0.407 nan 8.210 nan 0.000 0.418 473 K N 1.398 121.742 120.400 -0.093 0.000 2.209 473 K HA -0.127 4.192 4.320 -0.002 0.000 0.204 473 K C 1.795 178.328 176.600 -0.111 0.000 1.048 473 K CA 1.383 57.605 56.287 -0.108 0.000 0.940 473 K CB -0.711 31.741 32.500 -0.080 0.000 0.729 473 K HN 0.428 nan 8.250 nan 0.000 0.451 474 K N 0.547 120.892 120.400 -0.093 0.000 2.446 474 K HA 0.228 4.547 4.320 -0.002 0.000 0.203 474 K C -0.411 176.155 176.600 -0.058 0.000 1.027 474 K CA -0.346 55.893 56.287 -0.081 0.000 1.166 474 K CB 0.357 32.803 32.500 -0.089 0.000 0.869 474 K HN 0.231 nan 8.250 nan 0.000 0.504 475 I N 2.134 122.688 120.570 -0.026 0.000 2.278 475 I HA 0.075 4.244 4.170 -0.002 0.000 0.300 475 I C 1.290 177.451 176.117 0.074 0.000 1.174 475 I CA -0.043 61.280 61.300 0.038 0.000 1.347 475 I CB -1.583 36.481 38.000 0.107 0.000 1.473 475 I HN 0.169 nan 8.210 nan 0.000 0.595 476 A N 5.759 128.597 122.820 0.030 0.000 5.389 476 A HA -0.315 4.004 4.320 -0.002 0.000 0.356 476 A C 1.227 178.833 177.584 0.036 0.000 1.646 476 A CA 2.296 54.353 52.037 0.033 0.000 0.770 476 A CB -0.932 18.099 19.000 0.052 0.000 1.478 476 A HN 0.628 nan 8.150 nan 0.000 0.424 477 D N -3.560 116.878 120.400 0.064 0.000 2.278 477 D HA 0.270 4.909 4.640 -0.002 0.000 0.228 477 D C 2.001 178.361 176.300 0.100 0.000 1.364 477 D CA 1.350 55.385 54.000 0.058 0.000 1.345 477 D CB -0.862 39.947 40.800 0.014 0.000 1.961 477 D HN 0.745 nan 8.370 nan 0.000 0.396 478 E N 1.846 122.091 120.200 0.075 0.000 2.150 478 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 478 E C 1.790 178.450 176.600 0.100 0.000 0.985 478 E CA 1.683 58.127 56.400 0.074 0.000 0.814 478 E CB -0.472 29.258 29.700 0.050 0.000 0.752 478 E HN 0.173 nan 8.360 nan 0.000 0.466 479 K N -1.681 118.786 120.400 0.112 0.000 2.155 479 K HA -0.055 4.264 4.320 -0.002 0.000 0.203 479 K C 2.050 178.755 176.600 0.175 0.000 1.052 479 K CA 0.947 57.308 56.287 0.122 0.000 0.948 479 K CB -0.284 32.279 32.500 0.105 0.000 0.728 479 K HN 0.496 nan 8.250 nan 0.000 0.448 480 Y N 1.726 122.088 120.300 0.103 0.000 2.089 480 Y HA -0.242 4.308 4.550 -0.002 0.000 0.282 480 Y C 1.738 177.776 175.900 0.230 0.000 1.139 480 Y CA 2.032 60.232 58.100 0.166 0.000 1.123 480 Y CB -0.143 38.374 38.460 0.095 0.000 0.980 480 Y HN 0.170 nan 8.280 nan 0.000 0.493 481 N N 0.317 119.207 118.700 0.316 0.000 2.244 481 N HA -0.137 4.602 4.740 -0.002 0.000 0.183 481 N C 1.158 176.752 175.510 0.140 0.000 1.016 481 N CA 1.569 54.747 53.050 0.213 0.000 0.866 481 N CB -0.408 38.161 38.487 0.137 0.000 0.980 481 N HN 0.456 nan 8.380 nan 0.000 0.430 482 D N -0.929 119.536 120.400 0.109 0.000 2.234 482 D HA 0.024 4.663 4.640 -0.002 0.000 0.205 482 D C 1.292 177.622 176.300 0.049 0.000 0.962 482 D CA 1.013 55.057 54.000 0.072 0.000 0.855 482 D CB 0.128 40.965 40.800 0.062 0.000 0.951 482 D HN 0.264 nan 8.370 nan 0.000 0.500 483 T N -0.663 113.926 114.554 0.058 0.000 3.397 483 T HA 0.057 4.406 4.350 -0.002 0.000 0.233 483 T C 1.559 176.254 174.700 -0.009 0.000 0.969 483 T CA -0.390 61.728 62.100 0.030 0.000 1.316 483 T CB -0.727 68.184 68.868 0.073 0.000 1.175 483 T HN -0.035 nan 8.240 nan 0.000 0.381 484 F N 1.251 121.128 119.950 -0.122 0.000 2.120 484 F HA -0.139 4.387 4.527 -0.002 0.000 0.300 484 F C 2.220 177.884 175.800 -0.227 0.000 1.095 484 F CA 1.617 59.523 58.000 -0.157 0.000 1.249 484 F CB -0.155 38.673 39.000 -0.286 0.000 0.995 484 F HN 0.313 nan 8.300 nan 0.000 0.480 485 W N 2.463 123.546 121.300 -0.361 0.000 2.379 485 W HA -0.233 4.426 4.660 -0.002 0.000 0.307 485 W C 2.204 178.535 176.519 -0.313 0.000 1.200 485 W CA 2.089 59.241 57.345 -0.321 0.000 1.297 485 W CB -0.389 28.979 29.460 -0.154 0.000 1.140 485 W HN 0.178 nan 8.180 nan 0.000 0.507 486 K N -0.170 120.117 120.400 -0.190 0.000 2.442 486 K HA -0.127 4.192 4.320 -0.002 0.000 0.198 486 K C 1.445 177.765 176.600 -0.468 0.000 1.042 486 K CA 1.362 57.492 56.287 -0.262 0.000 0.958 486 K CB -0.141 32.296 32.500 -0.104 0.000 0.766 486 K HN 0.009 nan 8.250 nan 0.000 0.474 487 E N 0.383 120.183 120.200 -0.668 0.000 2.094 487 E HA 0.066 4.416 4.350 -0.002 0.000 0.193 487 E C 0.870 176.655 176.600 -1.357 0.000 0.950 487 E CA 0.882 56.661 56.400 -1.035 0.000 0.842 487 E CB 0.097 29.056 29.700 -1.236 0.000 0.816 487 E HN 0.427 nan 8.360 nan 0.000 0.465 488 F N -0.173 119.191 119.950 -0.978 0.000 2.683 488 F HA 0.328 4.854 4.527 -0.002 0.000 0.306 488 F C 1.818 177.021 175.800 -0.994 0.000 1.102 488 F CA -0.130 57.232 58.000 -1.064 0.000 1.244 488 F CB 0.521 38.635 39.000 -1.477 0.000 1.029 488 F HN 0.019 nan 8.300 nan 0.000 0.545 489 G N 0.343 108.458 108.800 -1.142 0.000 2.475 489 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.220 489 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.220 489 G C 1.638 175.925 174.900 -1.021 0.000 1.125 489 G CA 1.756 45.755 45.100 -1.836 0.000 0.755 489 G HN 0.284 nan 8.290 nan 0.000 0.565 490 T N 1.420 115.609 114.554 -0.608 0.000 2.821 490 T HA -0.122 4.227 4.350 -0.002 0.000 0.267 490 T C 2.323 176.940 174.700 -0.139 0.000 1.046 490 T CA 1.417 63.344 62.100 -0.288 0.000 1.139 490 T CB -0.280 68.462 68.868 -0.211 0.000 0.871 490 T HN 0.350 nan 8.240 nan 0.000 0.454 491 N N 1.567 120.209 118.700 -0.097 0.000 2.084 491 N HA -0.024 4.715 4.740 -0.002 0.000 0.190 491 N C 1.721 177.336 175.510 0.176 0.000 1.030 491 N CA 0.774 53.905 53.050 0.136 0.000 0.849 491 N CB -0.489 38.151 38.487 0.256 0.000 1.012 491 N HN 0.223 nan 8.380 nan 0.000 0.423 492 I N 1.390 122.036 120.570 0.128 0.000 2.194 492 I HA -0.254 3.915 4.170 -0.002 0.000 0.246 492 I C 1.824 177.984 176.117 0.073 0.000 1.093 492 I CA 1.421 62.841 61.300 0.200 0.000 1.355 492 I CB -0.893 37.320 38.000 0.355 0.000 1.046 492 I HN 0.239 nan 8.210 nan 0.000 0.413 493 K N 0.475 120.900 120.400 0.042 0.000 2.057 493 K HA -0.104 4.215 4.320 -0.002 0.000 0.206 493 K C 2.222 178.808 176.600 -0.022 0.000 1.050 493 K CA 1.021 57.340 56.287 0.055 0.000 0.935 493 K CB -0.238 32.316 32.500 0.090 0.000 0.715 493 K HN 0.261 nan 8.250 nan 0.000 0.439 494 L N 0.322 121.516 121.223 -0.048 0.000 2.083 494 L HA -0.150 4.189 4.340 -0.002 0.000 0.209 494 L C 2.547 179.261 176.870 -0.260 0.000 1.083 494 L CA 1.354 56.147 54.840 -0.078 0.000 0.752 494 L CB -0.844 41.224 42.059 0.015 0.000 0.899 494 L HN 0.375 nan 8.230 nan 0.000 0.433 495 G N -0.427 108.028 108.800 -0.574 0.000 2.418 495 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.217 495 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.217 495 G C 1.577 176.184 174.900 -0.489 0.000 1.158 495 G CA 0.888 45.260 45.100 -1.213 0.000 0.771 495 G HN 0.212 nan 8.290 nan 0.000 0.545 496 V N 1.183 120.964 119.914 -0.223 0.000 2.392 496 V HA -0.183 3.936 4.120 -0.002 0.000 0.249 496 V C 2.736 178.797 176.094 -0.054 0.000 1.059 496 V CA 1.571 63.824 62.300 -0.078 0.000 1.051 496 V CB -0.363 31.459 31.823 -0.002 0.000 0.658 496 V HN 0.424 nan 8.190 nan 0.000 0.455 497 I N -0.306 120.224 120.570 -0.065 0.000 2.235 497 I HA -0.153 4.016 4.170 -0.002 0.000 0.241 497 I C 2.505 178.623 176.117 0.001 0.000 1.085 497 I CA 1.533 62.825 61.300 -0.012 0.000 1.378 497 I CB -0.366 37.630 38.000 -0.006 0.000 1.076 497 I HN 0.333 nan 8.210 nan 0.000 0.415 498 E N 0.148 120.318 120.200 -0.050 0.000 2.060 498 E HA -0.143 4.206 4.350 -0.002 0.000 0.189 498 E C 0.609 177.216 176.600 0.013 0.000 0.974 498 E CA 0.588 56.997 56.400 0.015 0.000 0.808 498 E CB 0.036 29.757 29.700 0.036 0.000 0.768 498 E HN 0.185 nan 8.360 nan 0.000 0.453 499 D N 0.509 120.836 120.400 -0.121 0.000 2.558 499 D HA -0.000 4.639 4.640 -0.002 0.000 0.221 499 D C 0.646 176.799 176.300 -0.245 0.000 1.143 499 D CA -0.109 53.762 54.000 -0.215 0.000 1.010 499 D CB -0.081 40.690 40.800 -0.049 0.000 1.068 499 D HN 0.248 nan 8.370 nan 0.000 0.511 500 H N -0.248 118.844 119.070 0.037 0.000 2.394 500 H HA -0.213 4.342 4.556 -0.002 0.000 0.297 500 H C 1.838 177.192 175.328 0.042 0.000 1.113 500 H CA 1.889 57.959 56.048 0.036 0.000 1.277 500 H CB -0.497 29.287 29.762 0.036 0.000 1.370 500 H HN 0.241 nan 8.280 nan 0.000 0.506 501 S N -0.333 115.312 115.700 -0.092 0.000 2.436 501 S HA -0.052 4.417 4.470 -0.002 0.000 0.228 501 S C 1.391 175.999 174.600 0.014 0.000 1.014 501 S CA 0.665 58.895 58.200 0.049 0.000 0.950 501 S CB 0.023 63.260 63.200 0.063 0.000 0.784 501 S HN 0.441 nan 8.310 nan 0.000 0.504 502 N N 1.008 119.696 118.700 -0.019 0.000 2.238 502 N HA 0.254 4.993 4.740 -0.002 0.000 0.222 502 N C 1.179 176.711 175.510 0.037 0.000 1.133 502 N CA -0.081 52.982 53.050 0.022 0.000 0.854 502 N CB 0.047 38.562 38.487 0.046 0.000 1.041 502 N HN 0.500 nan 8.380 nan 0.000 0.510 503 R N 0.962 121.482 120.500 0.035 0.000 2.094 503 R HA -0.139 4.200 4.340 -0.002 0.000 0.239 503 R C 1.814 178.167 176.300 0.088 0.000 1.137 503 R CA 2.357 58.490 56.100 0.055 0.000 0.943 503 R CB -0.278 30.063 30.300 0.068 0.000 0.850 503 R HN 0.244 nan 8.270 nan 0.000 0.433 504 T N -1.485 113.118 114.554 0.082 0.000 2.915 504 T HA -0.070 4.279 4.350 -0.002 0.000 0.269 504 T C 1.765 176.518 174.700 0.088 0.000 1.071 504 T CA 1.043 63.197 62.100 0.089 0.000 1.132 504 T CB -0.250 68.641 68.868 0.038 0.000 0.878 504 T HN 0.379 nan 8.240 nan 0.000 0.479 505 R N 0.721 121.262 120.500 0.069 0.000 2.090 505 R HA 0.250 4.589 4.340 -0.002 0.000 0.228 505 R C 2.475 178.831 176.300 0.093 0.000 1.110 505 R CA 0.915 57.052 56.100 0.062 0.000 0.973 505 R CB -0.569 29.758 30.300 0.045 0.000 0.869 505 R HN 0.347 nan 8.270 nan 0.000 0.440 506 L N 0.535 121.824 121.223 0.110 0.000 2.156 506 L HA -0.020 4.319 4.340 -0.002 0.000 0.208 506 L C 2.681 179.645 176.870 0.157 0.000 1.095 506 L CA 0.768 55.691 54.840 0.138 0.000 0.770 506 L CB -0.495 41.627 42.059 0.105 0.000 0.914 506 L HN 0.213 nan 8.230 nan 0.000 0.439 507 A N 0.448 123.375 122.820 0.178 0.000 1.948 507 A HA -0.264 4.055 4.320 -0.002 0.000 0.220 507 A C 2.286 180.006 177.584 0.226 0.000 1.177 507 A CA 1.883 54.062 52.037 0.237 0.000 0.636 507 A CB -0.382 18.859 19.000 0.401 0.000 0.815 507 A HN 0.365 nan 8.150 nan 0.000 0.449 508 K N -0.577 119.970 120.400 0.245 0.000 2.211 508 K HA 0.059 4.378 4.320 -0.002 0.000 0.203 508 K C 1.515 178.129 176.600 0.022 0.000 1.050 508 K CA 1.014 57.404 56.287 0.173 0.000 0.945 508 K CB -0.267 32.306 32.500 0.121 0.000 0.732 508 K HN 0.489 nan 8.250 nan 0.000 0.451 509 L N 1.214 122.476 121.223 0.065 0.000 2.478 509 L HA 0.031 4.370 4.340 -0.002 0.000 0.223 509 L C 0.722 177.659 176.870 0.112 0.000 1.140 509 L CA -0.030 54.870 54.840 0.101 0.000 0.842 509 L CB -0.224 42.007 42.059 0.286 0.000 0.953 509 L HN 0.103 nan 8.230 nan 0.000 0.452 510 L N 1.135 122.338 121.223 -0.034 0.000 2.456 510 L HA 0.134 4.473 4.340 -0.002 0.000 0.272 510 L C 0.091 176.458 176.870 -0.840 0.000 1.189 510 L CA 0.150 54.786 54.840 -0.341 0.000 0.846 510 L CB 0.199 42.127 42.059 -0.219 0.000 1.111 510 L HN 0.123 nan 8.230 nan 0.000 0.475 511 R N 3.707 123.194 120.500 -1.689 0.000 2.574 511 R HA 0.613 4.952 4.340 -0.002 0.000 0.288 511 R C -1.257 174.298 176.300 -1.243 0.000 1.004 511 R CA -0.608 54.631 56.100 -1.435 0.000 0.895 511 R CB 1.795 31.050 30.300 -1.742 0.000 1.191 511 R HN 0.358 nan 8.270 nan 0.000 0.444 512 F N -0.120 119.686 119.950 -0.240 0.000 2.675 512 F HA 0.428 4.954 4.527 -0.001 0.000 0.324 512 F C 0.627 176.439 175.800 0.021 0.000 1.106 512 F CA -1.055 56.920 58.000 -0.041 0.000 0.970 512 F CB 1.672 40.658 39.000 -0.022 0.000 1.385 512 F HN 0.095 nan 8.300 nan 0.000 0.489 513 Q N 0.708 120.716 119.800 0.347 0.000 2.260 513 Q HA 0.614 4.953 4.340 -0.002 0.000 0.242 513 Q C -0.802 175.354 176.000 0.260 0.000 0.932 513 Q CA -0.586 55.393 55.803 0.293 0.000 0.891 513 Q CB 1.952 30.889 28.738 0.332 0.000 1.222 513 Q HN 0.722 nan 8.270 nan 0.000 0.453 514 S N -1.417 114.430 115.700 0.245 0.000 2.607 514 S HA 0.225 4.694 4.470 -0.002 0.000 0.273 514 S C 0.337 175.035 174.600 0.163 0.000 1.148 514 S CA -0.388 57.867 58.200 0.091 0.000 0.833 514 S CB 1.270 64.574 63.200 0.173 0.000 1.130 514 S HN 0.643 nan 8.310 nan 0.000 0.470 515 S N -0.275 115.420 115.700 -0.008 0.000 2.595 515 S HA -0.138 4.331 4.470 -0.002 0.000 0.235 515 S C 1.291 176.008 174.600 0.196 0.000 0.974 515 S CA 1.404 59.712 58.200 0.181 0.000 0.942 515 S CB -0.932 62.331 63.200 0.104 0.000 0.766 515 S HN 0.925 nan 8.310 nan 0.000 0.536 516 H N 0.857 120.001 119.070 0.123 0.000 2.428 516 H HA 0.151 4.706 4.556 -0.002 0.000 0.296 516 H C 0.652 176.085 175.328 0.175 0.000 1.062 516 H CA 1.632 57.751 56.048 0.117 0.000 1.350 516 H CB 0.128 29.950 29.762 0.100 0.000 1.403 516 H HN 0.592 nan 8.280 nan 0.000 0.533 517 H N -1.188 117.931 119.070 0.081 0.000 3.026 517 H HA 0.139 4.694 4.556 -0.002 0.000 0.352 517 H C -1.996 173.396 175.328 0.107 0.000 1.090 517 H CA -1.602 54.467 56.048 0.035 0.000 1.268 517 H CB 2.054 31.863 29.762 0.079 0.000 1.816 517 H HN 0.053 nan 8.280 nan 0.000 0.518 518 P HA -0.199 nan 4.420 nan 0.000 0.218 518 P C 0.886 178.292 177.300 0.177 0.000 1.150 518 P CA 2.245 65.348 63.100 0.005 0.000 0.841 518 P CB 0.496 32.115 31.700 -0.135 0.000 0.784 519 S N -3.773 112.161 115.700 0.390 0.000 3.171 519 S HA 0.077 4.546 4.470 -0.002 0.000 0.258 519 S C 0.419 175.170 174.600 0.250 0.000 1.083 519 S CA -0.392 57.982 58.200 0.290 0.000 0.801 519 S CB -0.663 62.668 63.200 0.219 0.000 0.831 519 S HN -0.114 nan 8.310 nan 0.000 0.462 520 D N 3.534 124.052 120.400 0.195 0.000 2.601 520 D HA 0.153 4.792 4.640 -0.002 0.000 0.229 520 D C 0.490 176.830 176.300 0.066 0.000 1.140 520 D CA 0.680 54.666 54.000 -0.022 0.000 0.862 520 D CB 0.205 40.796 40.800 -0.348 0.000 1.192 520 D HN 0.675 nan 8.370 nan 0.000 0.480 521 I N -1.605 118.979 120.570 0.024 0.000 2.612 521 I HA 0.458 4.627 4.170 -0.002 0.000 0.295 521 I C 0.471 176.567 176.117 -0.034 0.000 1.011 521 I CA -0.498 60.802 61.300 -0.000 0.000 1.326 521 I CB 1.620 39.566 38.000 -0.090 0.000 1.427 521 I HN 0.069 nan 8.210 nan 0.000 0.537 522 T N 2.652 117.183 114.554 -0.038 0.000 2.900 522 T HA 0.487 4.836 4.350 -0.002 0.000 0.295 522 T C -0.251 174.384 174.700 -0.107 0.000 1.044 522 T CA -0.468 61.609 62.100 -0.039 0.000 0.995 522 T CB 1.436 70.329 68.868 0.042 0.000 1.072 522 T HN 0.960 nan 8.240 nan 0.000 0.473 523 S N 3.618 119.251 115.700 -0.111 0.000 2.652 523 S HA 0.444 4.913 4.470 -0.002 0.000 0.270 523 S C 1.587 176.132 174.600 -0.090 0.000 1.243 523 S CA -0.893 57.216 58.200 -0.151 0.000 0.999 523 S CB 0.600 63.721 63.200 -0.131 0.000 0.973 523 S HN 0.694 nan 8.310 nan 0.000 0.544 524 L N 0.380 121.494 121.223 -0.181 0.000 2.083 524 L HA -0.101 4.238 4.340 -0.002 0.000 0.209 524 L C 2.220 179.046 176.870 -0.073 0.000 1.083 524 L CA 1.345 55.988 54.840 -0.327 0.000 0.752 524 L CB -0.578 40.854 42.059 -1.044 0.000 0.899 524 L HN 0.741 nan 8.230 nan 0.000 0.433 525 D N -0.233 120.230 120.400 0.105 0.000 2.149 525 D HA -0.215 4.424 4.640 -0.002 0.000 0.198 525 D C 2.193 178.562 176.300 0.115 0.000 0.990 525 D CA 1.265 55.400 54.000 0.224 0.000 0.839 525 D CB 0.011 40.907 40.800 0.160 0.000 0.948 525 D HN 0.480 nan 8.370 nan 0.000 0.460 526 Q N -0.761 119.069 119.800 0.050 0.000 2.172 526 Q HA -0.150 4.189 4.340 -0.002 0.000 0.200 526 Q C 1.946 177.953 176.000 0.011 0.000 0.964 526 Q CA 0.735 56.539 55.803 0.002 0.000 0.855 526 Q CB -0.084 28.629 28.738 -0.041 0.000 0.918 526 Q HN 0.424 nan 8.270 nan 0.000 0.444 527 Y N 0.609 120.874 120.300 -0.057 0.000 2.133 527 Y HA -0.252 4.297 4.550 -0.002 0.000 0.287 527 Y C 2.083 177.974 175.900 -0.015 0.000 1.134 527 Y CA 1.307 59.380 58.100 -0.044 0.000 1.133 527 Y CB -0.129 38.308 38.460 -0.038 0.000 0.987 527 Y HN -0.167 nan 8.280 nan 0.000 0.502 528 V N 0.919 120.997 119.914 0.274 0.000 2.380 528 V HA -0.351 3.769 4.120 -0.002 0.000 0.251 528 V C 2.295 178.416 176.094 0.045 0.000 1.063 528 V CA 2.341 64.754 62.300 0.190 0.000 1.055 528 V CB -0.790 31.173 31.823 0.233 0.000 0.657 528 V HN 0.521 nan 8.190 nan 0.000 0.455 529 E N 0.148 120.357 120.200 0.015 0.000 2.106 529 E HA -0.208 4.141 4.350 -0.002 0.000 0.192 529 E C 2.398 178.954 176.600 -0.073 0.000 0.984 529 E CA 1.076 57.461 56.400 -0.026 0.000 0.806 529 E CB 0.012 29.696 29.700 -0.027 0.000 0.750 529 E HN 0.578 nan 8.360 nan 0.000 0.458 530 R N -0.310 120.107 120.500 -0.138 0.000 2.200 530 R HA 0.114 4.453 4.340 -0.002 0.000 0.208 530 R C 0.870 177.066 176.300 -0.175 0.000 1.033 530 R CA -0.033 55.964 56.100 -0.172 0.000 1.000 530 R CB -0.120 30.030 30.300 -0.249 0.000 0.906 530 R HN 0.198 nan 8.270 nan 0.000 0.462 531 M N 1.706 121.191 119.600 -0.191 0.000 2.216 531 M HA -0.098 4.381 4.480 -0.002 0.000 0.328 531 M C 0.386 176.644 176.300 -0.071 0.000 1.062 531 M CA 1.076 56.301 55.300 -0.125 0.000 1.012 531 M CB 0.268 32.848 32.600 -0.034 0.000 1.622 531 M HN -0.040 nan 8.290 nan 0.000 0.448 532 K N 1.289 121.655 120.400 -0.057 0.000 2.120 532 K HA 0.000 4.320 4.320 -0.002 0.000 0.245 532 K C 0.835 177.434 176.600 -0.001 0.000 1.024 532 K CA -0.459 55.787 56.287 -0.069 0.000 0.906 532 K CB 0.518 32.921 32.500 -0.163 0.000 1.051 532 K HN 0.495 nan 8.250 nan 0.000 0.491 533 E N 1.491 121.689 120.200 -0.003 0.000 2.023 533 E HA -0.191 4.158 4.350 -0.002 0.000 0.196 533 E C 1.039 177.662 176.600 0.039 0.000 1.003 533 E CA 1.826 58.234 56.400 0.014 0.000 0.809 533 E CB 0.188 29.893 29.700 0.009 0.000 0.755 533 E HN 0.302 nan 8.360 nan 0.000 0.449 534 K N 0.754 121.191 120.400 0.062 0.000 2.418 534 K HA 0.002 4.321 4.320 -0.002 0.000 0.195 534 K C 0.573 177.236 176.600 0.106 0.000 1.035 534 K CA 0.132 56.465 56.287 0.077 0.000 1.003 534 K CB -0.319 32.233 32.500 0.087 0.000 0.793 534 K HN 0.352 nan 8.250 nan 0.000 0.494 535 Q N 2.139 122.036 119.800 0.161 0.000 2.330 535 Q HA -0.084 4.255 4.340 -0.002 0.000 0.279 535 Q C -0.374 175.683 176.000 0.095 0.000 1.024 535 Q CA 0.729 56.661 55.803 0.216 0.000 0.900 535 Q CB 0.566 29.514 28.738 0.350 0.000 1.221 535 Q HN 0.196 nan 8.270 nan 0.000 0.396 536 D N 2.070 122.489 120.400 0.032 0.000 2.563 536 D HA 0.153 4.792 4.640 -0.002 0.000 0.256 536 D C -0.844 175.385 176.300 -0.119 0.000 1.400 536 D CA -0.257 53.726 54.000 -0.028 0.000 0.800 536 D CB 0.488 41.273 40.800 -0.026 0.000 1.145 536 D HN 0.182 nan 8.370 nan 0.000 0.501 537 K N 0.842 121.111 120.400 -0.218 0.000 2.316 537 K HA 0.498 4.817 4.320 -0.002 0.000 0.251 537 K C -0.264 176.047 176.600 -0.481 0.000 0.934 537 K CA -0.607 55.402 56.287 -0.463 0.000 0.802 537 K CB 2.695 34.704 32.500 -0.818 0.000 1.171 537 K HN 0.041 nan 8.250 nan 0.000 0.426 538 I N 3.634 123.936 120.570 -0.447 0.000 2.282 538 I HA 0.180 4.349 4.170 -0.002 0.000 0.290 538 I C -0.428 175.565 176.117 -0.207 0.000 1.090 538 I CA -0.732 60.331 61.300 -0.394 0.000 1.231 538 I CB -0.018 37.545 38.000 -0.728 0.000 1.434 538 I HN 0.358 nan 8.210 nan 0.000 0.487 539 Y N 6.984 127.350 120.300 0.109 0.000 2.402 539 Y HA 0.295 4.844 4.550 -0.002 0.000 0.333 539 Y C 0.219 176.199 175.900 0.134 0.000 1.076 539 Y CA -0.244 57.921 58.100 0.109 0.000 1.299 539 Y CB 0.420 38.927 38.460 0.077 0.000 1.197 539 Y HN 0.458 nan 8.280 nan 0.000 0.517 540 F N 2.035 122.029 119.950 0.073 0.000 2.613 540 F HA 0.796 5.322 4.527 -0.001 0.000 0.314 540 F C -1.455 174.342 175.800 -0.005 0.000 1.075 540 F CA -1.670 56.309 58.000 -0.035 0.000 0.945 540 F CB 1.722 40.636 39.000 -0.143 0.000 1.310 540 F HN 0.293 nan 8.300 nan 0.000 0.467 541 M N 3.437 123.048 119.600 0.018 0.000 2.263 541 M HA 0.796 5.275 4.480 -0.002 0.000 0.295 541 M C -1.569 174.807 176.300 0.128 0.000 1.028 541 M CA -0.953 54.340 55.300 -0.011 0.000 0.921 541 M CB 1.634 34.348 32.600 0.191 0.000 1.601 541 M HN 0.976 nan 8.290 nan 0.000 0.440 542 A N 2.994 125.829 122.820 0.025 0.000 2.305 542 A HA 0.984 5.303 4.320 -0.002 0.000 0.322 542 A C -0.016 177.580 177.584 0.020 0.000 1.187 542 A CA 0.159 52.236 52.037 0.068 0.000 0.825 542 A CB 0.682 19.715 19.000 0.055 0.000 1.164 542 A HN 1.127 nan 8.150 nan 0.000 0.498 543 G N -0.640 108.181 108.800 0.036 0.000 2.650 543 G HA2 0.454 4.413 3.960 -0.002 0.000 0.310 543 G HA3 0.454 4.413 3.960 -0.002 0.000 0.310 543 G C 0.290 175.197 174.900 0.012 0.000 1.270 543 G CA 0.432 45.538 45.100 0.009 0.000 0.810 543 G HN 0.682 nan 8.290 nan 0.000 0.493 544 S N -0.770 114.931 115.700 0.001 0.000 2.492 544 S HA 0.371 4.840 4.470 -0.002 0.000 0.218 544 S C 0.857 175.464 174.600 0.011 0.000 1.016 544 S CA 0.807 59.009 58.200 0.004 0.000 0.916 544 S CB 0.054 63.249 63.200 -0.008 0.000 0.791 544 S HN 1.414 nan 8.310 nan 0.000 0.513 545 S N -0.118 115.586 115.700 0.006 0.000 2.615 545 S HA 0.521 4.991 4.470 -0.002 0.000 0.269 545 S C 0.104 174.693 174.600 -0.017 0.000 1.161 545 S CA -0.919 57.284 58.200 0.005 0.000 0.817 545 S CB 1.823 65.019 63.200 -0.006 0.000 1.131 545 S HN 0.073 nan 8.310 nan 0.000 0.467 546 R N 0.990 121.477 120.500 -0.021 0.000 2.073 546 R HA -0.049 4.290 4.340 -0.002 0.000 0.234 546 R C 2.120 178.309 176.300 -0.186 0.000 1.134 546 R CA 1.772 57.814 56.100 -0.097 0.000 0.952 546 R CB -0.480 29.793 30.300 -0.044 0.000 0.850 546 R HN 0.789 nan 8.270 nan 0.000 0.433 547 K N 0.614 120.950 120.400 -0.106 0.000 2.103 547 K HA -0.237 4.082 4.320 -0.002 0.000 0.207 547 K C 1.963 178.505 176.600 -0.098 0.000 1.048 547 K CA 2.003 58.231 56.287 -0.099 0.000 0.930 547 K CB -0.067 32.401 32.500 -0.053 0.000 0.716 547 K HN 0.307 nan 8.250 nan 0.000 0.444 548 E N -0.187 119.967 120.200 -0.076 0.000 2.046 548 E HA -0.174 4.176 4.350 -0.002 0.000 0.190 548 E C 1.836 178.399 176.600 -0.061 0.000 0.982 548 E CA 1.004 57.372 56.400 -0.054 0.000 0.800 548 E CB -0.179 29.503 29.700 -0.031 0.000 0.756 548 E HN 0.387 nan 8.360 nan 0.000 0.449 549 A N 1.845 124.610 122.820 -0.092 0.000 1.902 549 A HA -0.263 4.056 4.320 -0.002 0.000 0.217 549 A C 2.047 179.540 177.584 -0.151 0.000 1.181 549 A CA 1.955 53.951 52.037 -0.069 0.000 0.623 549 A CB -0.796 18.185 19.000 -0.032 0.000 0.818 549 A HN 0.608 nan 8.150 nan 0.000 0.443 550 E N -0.634 119.316 120.200 -0.416 0.000 2.152 550 E HA -0.089 4.260 4.350 -0.002 0.000 0.192 550 E C 1.829 178.379 176.600 -0.084 0.000 0.983 550 E CA 1.360 57.557 56.400 -0.338 0.000 0.818 550 E CB -0.366 29.066 29.700 -0.447 0.000 0.758 550 E HN 0.427 nan 8.360 nan 0.000 0.467 551 S N 0.849 116.501 115.700 -0.080 0.000 2.428 551 S HA -0.054 4.415 4.470 -0.002 0.000 0.230 551 S C 1.040 175.626 174.600 -0.024 0.000 1.014 551 S CA 0.395 58.571 58.200 -0.040 0.000 0.957 551 S CB -0.037 63.137 63.200 -0.043 0.000 0.784 551 S HN 0.330 nan 8.310 nan 0.000 0.499 552 S N 2.196 117.896 115.700 0.000 0.000 2.561 552 S HA 0.013 4.483 4.470 -0.002 0.000 0.294 552 S C -1.652 172.917 174.600 -0.053 0.000 1.294 552 S CA -1.013 57.196 58.200 0.014 0.000 1.055 552 S CB 0.627 63.923 63.200 0.161 0.000 0.819 552 S HN 0.040 nan 8.310 nan 0.000 0.503 553 P HA -0.002 nan 4.420 nan 0.000 0.218 553 P C 0.884 178.026 177.300 -0.263 0.000 1.149 553 P CA 1.189 64.103 63.100 -0.311 0.000 0.817 553 P CB -0.057 31.335 31.700 -0.514 0.000 0.785 554 F N -0.248 119.707 119.950 0.008 0.000 2.250 554 F HA -0.148 4.378 4.527 -0.002 0.000 0.301 554 F C 2.103 177.906 175.800 0.006 0.000 1.077 554 F CA 1.016 59.017 58.000 0.001 0.000 1.348 554 F CB -1.379 37.614 39.000 -0.012 0.000 1.040 554 F HN -0.148 nan 8.300 nan 0.000 0.509 555 V N -2.768 117.258 119.914 0.186 0.000 3.406 555 V HA 0.009 4.128 4.120 -0.002 0.000 0.263 555 V C 1.607 177.761 176.094 0.099 0.000 1.172 555 V CA 0.564 62.950 62.300 0.144 0.000 1.140 555 V CB -0.500 31.449 31.823 0.210 0.000 0.784 555 V HN 0.283 nan 8.190 nan 0.000 0.467 556 E N 1.185 121.421 120.200 0.061 0.000 2.068 556 E HA -0.321 4.028 4.350 -0.002 0.000 0.207 556 E C 2.341 178.962 176.600 0.035 0.000 1.032 556 E CA 2.448 58.868 56.400 0.033 0.000 0.839 556 E CB -0.237 29.458 29.700 -0.008 0.000 0.758 556 E HN 0.635 nan 8.360 nan 0.000 0.457 557 R N 0.283 120.798 120.500 0.026 0.000 2.062 557 R HA -0.102 4.237 4.340 -0.002 0.000 0.229 557 R C 2.412 178.772 176.300 0.101 0.000 1.128 557 R CA 0.683 56.787 56.100 0.006 0.000 0.960 557 R CB -0.087 30.148 30.300 -0.108 0.000 0.855 557 R HN 0.104 nan 8.270 nan 0.000 0.432 558 L N 1.216 122.528 121.223 0.148 0.000 2.064 558 L HA -0.268 4.071 4.340 -0.002 0.000 0.216 558 L C 2.382 179.386 176.870 0.223 0.000 1.077 558 L CA 1.792 56.727 54.840 0.158 0.000 0.766 558 L CB -1.293 40.708 42.059 -0.098 0.000 0.890 558 L HN 0.369 nan 8.230 nan 0.000 0.435 559 L N -0.565 120.744 121.223 0.144 0.000 2.027 559 L HA -0.221 4.118 4.340 -0.002 0.000 0.206 559 L C 2.680 179.613 176.870 0.104 0.000 1.074 559 L CA 1.289 56.206 54.840 0.129 0.000 0.745 559 L CB -0.527 41.600 42.059 0.115 0.000 0.898 559 L HN 0.296 nan 8.230 nan 0.000 0.433 560 K N 0.655 121.103 120.400 0.080 0.000 2.103 560 K HA -0.243 4.076 4.320 -0.002 0.000 0.207 560 K C 2.084 178.718 176.600 0.057 0.000 1.048 560 K CA 1.496 57.812 56.287 0.049 0.000 0.930 560 K CB 0.107 32.618 32.500 0.019 0.000 0.716 560 K HN -0.063 nan 8.250 nan 0.000 0.444 561 K N -0.870 119.599 120.400 0.116 0.000 2.365 561 K HA -0.002 4.317 4.320 -0.002 0.000 0.199 561 K C 0.781 177.416 176.600 0.059 0.000 1.045 561 K CA 1.020 57.395 56.287 0.148 0.000 0.962 561 K CB 0.319 33.040 32.500 0.369 0.000 0.759 561 K HN 0.480 nan 8.250 nan 0.000 0.469 562 G N -1.457 107.376 108.800 0.054 0.000 2.168 562 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.197 562 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.197 562 G C -0.348 174.486 174.900 -0.110 0.000 0.997 562 G CA -0.238 44.830 45.100 -0.053 0.000 0.658 562 G HN 0.173 nan 8.290 nan 0.000 0.513 563 Y N 0.599 120.923 120.300 0.041 0.000 2.298 563 Y HA 0.574 5.124 4.550 -0.002 0.000 0.329 563 Y C 0.934 176.859 175.900 0.043 0.000 1.293 563 Y CA -0.065 58.058 58.100 0.039 0.000 1.388 563 Y CB 0.709 39.174 38.460 0.008 0.000 1.309 563 Y HN 0.201 nan 8.280 nan 0.000 0.544 564 E N 0.749 121.080 120.200 0.218 0.000 2.179 564 E HA 0.583 4.933 4.350 -0.002 0.000 0.275 564 E C -1.836 174.963 176.600 0.331 0.000 0.945 564 E CA -0.617 55.879 56.400 0.158 0.000 0.792 564 E CB 1.257 30.913 29.700 -0.073 0.000 1.125 564 E HN 0.405 nan 8.360 nan 0.000 0.397 565 V N 5.622 125.639 119.914 0.171 0.000 2.540 565 V HA 0.367 4.486 4.120 -0.002 0.000 0.302 565 V C 0.084 176.054 176.094 -0.207 0.000 1.035 565 V CA -0.758 61.579 62.300 0.061 0.000 0.873 565 V CB 1.634 33.431 31.823 -0.043 0.000 0.992 565 V HN 0.704 nan 8.190 nan 0.000 0.428 566 I N 4.344 124.866 120.570 -0.080 0.000 2.395 566 I HA 0.327 4.496 4.170 -0.002 0.000 0.289 566 I C -0.843 175.168 176.117 -0.177 0.000 1.023 566 I CA -0.235 60.984 61.300 -0.134 0.000 1.350 566 I CB 0.771 38.700 38.000 -0.118 0.000 1.409 566 I HN 0.553 nan 8.210 nan 0.000 0.507 567 Y N 6.317 126.697 120.300 0.132 0.000 2.328 567 Y HA 0.455 5.004 4.550 -0.002 0.000 0.337 567 Y C -0.128 175.823 175.900 0.086 0.000 1.008 567 Y CA -0.904 57.263 58.100 0.112 0.000 1.129 567 Y CB 1.118 39.649 38.460 0.118 0.000 1.185 567 Y HN 0.278 nan 8.280 nan 0.000 0.476 568 L N 3.908 125.261 121.223 0.217 0.000 2.262 568 L HA 0.297 4.637 4.340 -0.002 0.000 0.288 568 L C 0.733 177.691 176.870 0.146 0.000 1.035 568 L CA -0.302 54.613 54.840 0.124 0.000 0.820 568 L CB 1.348 43.427 42.059 0.033 0.000 1.204 568 L HN 0.801 nan 8.230 nan 0.000 0.424 569 T N -2.647 112.003 114.554 0.161 0.000 3.044 569 T HA 0.218 4.567 4.350 -0.002 0.000 0.260 569 T C 0.508 175.267 174.700 0.099 0.000 1.019 569 T CA -0.338 61.833 62.100 0.118 0.000 0.921 569 T CB 0.345 69.284 68.868 0.119 0.000 1.053 569 T HN 0.320 nan 8.240 nan 0.000 0.533 570 E N 2.319 122.591 120.200 0.120 0.000 2.250 570 E HA 0.315 4.664 4.350 -0.002 0.000 0.269 570 E C -1.726 174.924 176.600 0.083 0.000 1.018 570 E CA -2.653 53.804 56.400 0.096 0.000 0.873 570 E CB 1.644 31.413 29.700 0.116 0.000 1.134 570 E HN 0.046 nan 8.360 nan 0.000 0.403 571 P HA -0.108 nan 4.420 nan 0.000 0.217 571 P C 1.405 178.784 177.300 0.132 0.000 1.150 571 P CA 0.765 63.910 63.100 0.075 0.000 0.832 571 P CB 0.365 32.089 31.700 0.040 0.000 0.787 572 V N 0.399 120.373 119.914 0.100 0.000 2.719 572 V HA -0.133 3.986 4.120 -0.002 0.000 0.252 572 V C 1.778 177.976 176.094 0.175 0.000 1.065 572 V CA 1.791 64.163 62.300 0.119 0.000 1.086 572 V CB -1.203 30.639 31.823 0.032 0.000 0.700 572 V HN -0.105 nan 8.190 nan 0.000 0.467 573 D N 0.315 120.799 120.400 0.140 0.000 2.157 573 D HA -0.281 4.358 4.640 -0.002 0.000 0.191 573 D C 2.067 178.350 176.300 -0.029 0.000 1.004 573 D CA 2.188 56.248 54.000 0.101 0.000 0.854 573 D CB -0.146 40.714 40.800 0.101 0.000 0.936 573 D HN 0.682 nan 8.370 nan 0.000 0.446 574 E N -1.180 119.009 120.200 -0.018 0.000 2.152 574 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 574 E C 1.870 178.372 176.600 -0.163 0.000 0.983 574 E CA 0.497 56.825 56.400 -0.120 0.000 0.818 574 E CB -0.028 29.604 29.700 -0.113 0.000 0.758 574 E HN 0.394 nan 8.360 nan 0.000 0.467 575 Y N -0.179 120.072 120.300 -0.081 0.000 2.242 575 Y HA -0.250 4.300 4.550 -0.001 0.000 0.291 575 Y C 2.664 178.512 175.900 -0.087 0.000 1.137 575 Y CA 1.043 59.103 58.100 -0.066 0.000 1.181 575 Y CB -0.582 37.852 38.460 -0.043 0.000 0.989 575 Y HN 0.288 nan 8.280 nan 0.000 0.527 576 C N 0.443 119.786 119.300 0.071 0.000 2.440 576 C HA -0.194 4.265 4.460 -0.002 0.000 0.282 576 C C 2.619 177.517 174.990 -0.153 0.000 1.223 576 C CA 1.065 60.082 59.018 -0.002 0.000 1.744 576 C CB -1.276 26.500 27.740 0.061 0.000 2.061 576 C HN 0.510 nan 8.230 nan 0.000 0.456 577 I N 1.114 121.473 120.570 -0.351 0.000 2.315 577 I HA -0.218 3.951 4.170 -0.002 0.000 0.251 577 I C 2.539 178.297 176.117 -0.598 0.000 1.125 577 I CA 1.961 62.809 61.300 -0.754 0.000 1.392 577 I CB -1.729 35.538 38.000 -1.222 0.000 1.065 577 I HN 0.662 nan 8.210 nan 0.000 0.424 578 Q N 0.886 120.491 119.800 -0.325 0.000 2.119 578 Q HA -0.087 4.253 4.340 -0.002 0.000 0.201 578 Q C 2.079 178.033 176.000 -0.077 0.000 0.972 578 Q CA 1.677 57.383 55.803 -0.161 0.000 0.847 578 Q CB 0.004 28.683 28.738 -0.099 0.000 0.903 578 Q HN 0.477 nan 8.270 nan 0.000 0.433 579 A N 0.031 122.819 122.820 -0.054 0.000 2.235 579 A HA 0.098 4.417 4.320 -0.002 0.000 0.208 579 A C 0.355 177.942 177.584 0.004 0.000 1.172 579 A CA -0.019 52.021 52.037 0.004 0.000 0.786 579 A CB 0.117 19.136 19.000 0.033 0.000 0.804 579 A HN 0.331 nan 8.150 nan 0.000 0.479 580 L N 0.509 121.701 121.223 -0.051 0.000 2.283 580 L HA 0.449 4.788 4.340 -0.002 0.000 0.281 580 L C -1.902 175.046 176.870 0.131 0.000 1.033 580 L CA -2.070 52.787 54.840 0.027 0.000 0.848 580 L CB 1.396 43.421 42.059 -0.056 0.000 1.226 580 L HN -0.038 nan 8.230 nan 0.000 0.429 581 P HA 0.026 nan 4.420 nan 0.000 0.212 581 P C -0.057 177.385 177.300 0.237 0.000 1.180 581 P CA 1.424 64.624 63.100 0.167 0.000 0.902 581 P CB 0.221 31.986 31.700 0.108 0.000 0.778 582 E N -1.156 119.166 120.200 0.203 0.000 2.378 582 E HA 0.672 5.021 4.350 -0.002 0.000 0.265 582 E C -1.624 175.106 176.600 0.218 0.000 0.932 582 E CA -0.855 55.629 56.400 0.139 0.000 0.795 582 E CB 1.073 30.801 29.700 0.046 0.000 1.296 582 E HN 0.081 nan 8.360 nan 0.000 0.438 583 F N 1.533 121.428 119.950 -0.092 0.000 2.653 583 F HA 0.447 4.973 4.527 -0.002 0.000 0.327 583 F C -0.315 175.427 175.800 -0.097 0.000 1.195 583 F CA -0.539 57.421 58.000 -0.066 0.000 0.993 583 F CB 1.918 40.867 39.000 -0.084 0.000 1.259 583 F HN 0.683 nan 8.300 nan 0.000 0.478 584 D N 4.787 124.808 120.400 -0.632 0.000 2.686 584 D HA -0.182 4.457 4.640 -0.002 0.000 0.235 584 D C 1.093 177.283 176.300 -0.184 0.000 1.160 584 D CA 2.000 55.733 54.000 -0.446 0.000 0.645 584 D CB -0.995 39.501 40.800 -0.507 0.000 1.039 584 D HN 1.555 nan 8.370 nan 0.000 0.423 585 G N -0.135 108.583 108.800 -0.135 0.000 2.168 585 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.257 585 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.257 585 G C 0.084 174.943 174.900 -0.068 0.000 0.997 585 G CA 0.822 45.875 45.100 -0.079 0.000 0.708 585 G HN 0.474 nan 8.290 nan 0.000 0.520 586 K N -0.122 120.228 120.400 -0.083 0.000 2.292 586 K HA 0.794 5.113 4.320 -0.002 0.000 0.257 586 K C 0.418 176.895 176.600 -0.206 0.000 0.940 586 K CA -0.125 56.089 56.287 -0.121 0.000 0.811 586 K CB 1.560 33.995 32.500 -0.108 0.000 1.120 586 K HN 0.621 nan 8.250 nan 0.000 0.428 587 R N 2.245 122.635 120.500 -0.184 0.000 2.500 587 R HA 0.581 4.920 4.340 -0.002 0.000 0.277 587 R C -0.267 175.875 176.300 -0.263 0.000 1.026 587 R CA -0.284 55.725 56.100 -0.150 0.000 1.058 587 R CB 0.015 30.291 30.300 -0.041 0.000 1.078 587 R HN 0.478 nan 8.270 nan 0.000 0.509 588 F N 0.137 120.057 119.950 -0.050 0.000 2.370 588 F HA 0.473 4.999 4.527 -0.002 0.000 0.324 588 F C 0.820 176.623 175.800 0.005 0.000 1.116 588 F CA 0.319 58.288 58.000 -0.051 0.000 1.123 588 F CB 2.031 40.983 39.000 -0.080 0.000 1.238 588 F HN 0.566 nan 8.300 nan 0.000 0.536 589 Q N 2.321 122.283 119.800 0.270 0.000 2.275 589 Q HA 0.227 4.566 4.340 -0.002 0.000 0.258 589 Q C -1.502 174.498 176.000 0.001 0.000 0.960 589 Q CA -0.688 55.176 55.803 0.102 0.000 0.801 589 Q CB 1.127 29.801 28.738 -0.107 0.000 1.302 589 Q HN 0.483 nan 8.270 nan 0.000 0.433 590 N N 3.351 121.911 118.700 -0.234 0.000 2.401 590 N HA 0.046 4.785 4.740 -0.002 0.000 0.255 590 N C 1.010 176.252 175.510 -0.447 0.000 1.110 590 N CA 0.294 52.847 53.050 -0.828 0.000 0.949 590 N CB 1.326 39.434 38.487 -0.631 0.000 1.110 590 N HN 0.613 nan 8.380 nan 0.000 0.490 591 V N 2.292 121.971 119.914 -0.392 0.000 2.794 591 V HA -0.134 3.985 4.120 -0.002 0.000 0.260 591 V C 1.545 177.454 176.094 -0.309 0.000 1.103 591 V CA 1.973 64.160 62.300 -0.188 0.000 1.125 591 V CB -1.179 30.610 31.823 -0.058 0.000 0.702 591 V HN 0.596 nan 8.190 nan 0.000 0.494 592 A N -0.541 121.905 122.820 -0.624 0.000 2.275 592 A HA 0.315 4.634 4.320 -0.002 0.000 0.212 592 A C 1.001 178.267 177.584 -0.529 0.000 1.201 592 A CA 0.044 51.403 52.037 -1.130 0.000 0.843 592 A CB -0.125 18.114 19.000 -1.267 0.000 0.873 592 A HN 0.669 nan 8.150 nan 0.000 0.492 593 K N 0.189 120.401 120.400 -0.313 0.000 2.350 593 K HA 0.416 4.735 4.320 -0.002 0.000 0.241 593 K C -0.854 175.672 176.600 -0.122 0.000 0.994 593 K CA -0.754 55.426 56.287 -0.179 0.000 0.839 593 K CB 1.561 33.958 32.500 -0.173 0.000 1.244 593 K HN 0.238 nan 8.250 nan 0.000 0.443 594 E N 0.041 120.179 120.200 -0.104 0.000 2.376 594 E HA 0.124 4.473 4.350 -0.002 0.000 0.266 594 E C 0.511 177.053 176.600 -0.096 0.000 1.009 594 E CA 0.405 56.756 56.400 -0.081 0.000 0.902 594 E CB 0.560 30.209 29.700 -0.085 0.000 0.972 594 E HN 0.889 nan 8.360 nan 0.000 0.439 595 G N 1.898 110.662 108.800 -0.060 0.000 3.859 595 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.220 595 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.220 595 G C 0.105 174.984 174.900 -0.035 0.000 0.892 595 G CA -0.040 45.028 45.100 -0.053 0.000 0.858 595 G HN 0.515 nan 8.290 nan 0.000 0.625 596 V N 0.319 120.211 119.914 -0.036 0.000 2.521 596 V HA 0.745 4.864 4.120 -0.002 0.000 0.286 596 V C -0.112 175.860 176.094 -0.203 0.000 1.034 596 V CA -0.512 61.717 62.300 -0.119 0.000 1.045 596 V CB 0.869 32.598 31.823 -0.156 0.000 0.974 596 V HN 0.281 nan 8.190 nan 0.000 0.480 597 K N 4.345 124.522 120.400 -0.372 0.000 2.340 597 K HA 0.793 5.112 4.320 -0.002 0.000 0.244 597 K C -1.475 174.721 176.600 -0.673 0.000 0.973 597 K CA -0.452 55.657 56.287 -0.297 0.000 0.828 597 K CB 2.452 34.876 32.500 -0.127 0.000 1.226 597 K HN 0.634 nan 8.250 nan 0.000 0.437 598 F N 2.031 121.979 119.950 -0.002 0.000 2.902 598 F HA 0.082 4.608 4.527 -0.001 0.000 0.368 598 F C 0.741 176.568 175.800 0.044 0.000 1.202 598 F CA -0.880 57.132 58.000 0.020 0.000 1.109 598 F CB 1.181 40.184 39.000 0.006 0.000 1.418 598 F HN 0.653 nan 8.300 nan 0.000 0.527 599 D N 1.350 121.853 120.400 0.172 0.000 2.116 599 D HA -0.186 4.453 4.640 -0.002 0.000 0.193 599 D C 0.633 177.005 176.300 0.119 0.000 0.998 599 D CA 1.583 55.656 54.000 0.123 0.000 0.836 599 D CB 0.055 40.913 40.800 0.097 0.000 0.951 599 D HN 0.499 nan 8.370 nan 0.000 0.449 600 E N -0.047 120.235 120.200 0.137 0.000 3.374 600 E HA -0.234 4.115 4.350 -0.002 0.000 0.319 600 E C 0.512 177.154 176.600 0.069 0.000 1.492 600 E CA 1.721 58.181 56.400 0.100 0.000 1.899 600 E CB -1.595 28.160 29.700 0.092 0.000 1.894 600 E HN 0.579 nan 8.360 nan 0.000 0.484 601 S N -0.565 115.167 115.700 0.054 0.000 2.998 601 S HA 0.486 4.955 4.470 -0.002 0.000 0.323 601 S C 0.744 175.365 174.600 0.036 0.000 1.141 601 S CA -0.443 57.781 58.200 0.041 0.000 0.873 601 S CB 1.680 64.900 63.200 0.033 0.000 1.315 601 S HN 0.336 nan 8.310 nan 0.000 0.637 602 E N 0.932 121.149 120.200 0.029 0.000 2.060 602 E HA 0.082 4.431 4.350 -0.002 0.000 0.189 602 E C 2.420 179.034 176.600 0.023 0.000 0.974 602 E CA 1.695 58.110 56.400 0.025 0.000 0.808 602 E CB -1.035 28.678 29.700 0.021 0.000 0.768 602 E HN 0.761 nan 8.360 nan 0.000 0.453 603 K N 1.246 121.658 120.400 0.020 0.000 2.209 603 K HA -0.066 4.253 4.320 -0.002 0.000 0.204 603 K C 2.214 178.825 176.600 0.018 0.000 1.048 603 K CA 1.771 58.068 56.287 0.017 0.000 0.940 603 K CB -1.362 31.147 32.500 0.014 0.000 0.729 603 K HN 0.194 nan 8.250 nan 0.000 0.451 604 T N 0.382 114.949 114.554 0.022 0.000 2.812 604 T HA 0.016 4.365 4.350 -0.002 0.000 0.264 604 T C 2.650 177.364 174.700 0.024 0.000 1.042 604 T CA 1.825 63.938 62.100 0.021 0.000 1.140 604 T CB -0.285 68.599 68.868 0.027 0.000 0.870 604 T HN 0.678 nan 8.240 nan 0.000 0.445 605 K N 1.949 122.367 120.400 0.031 0.000 2.057 605 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 605 K C 2.010 178.627 176.600 0.028 0.000 1.049 605 K CA 1.827 58.134 56.287 0.033 0.000 0.931 605 K CB -1.139 31.382 32.500 0.036 0.000 0.714 605 K HN 0.645 nan 8.250 nan 0.000 0.440 606 E N 0.507 120.722 120.200 0.024 0.000 2.085 606 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 606 E C 2.478 179.091 176.600 0.023 0.000 0.994 606 E CA 1.554 57.967 56.400 0.022 0.000 0.801 606 E CB -0.074 29.638 29.700 0.019 0.000 0.743 606 E HN 0.580 nan 8.360 nan 0.000 0.453 607 S N 0.491 116.204 115.700 0.021 0.000 2.345 607 S HA -0.150 4.319 4.470 -0.002 0.000 0.220 607 S C 1.894 176.511 174.600 0.028 0.000 1.031 607 S CA 0.849 59.062 58.200 0.022 0.000 0.996 607 S CB -0.211 62.998 63.200 0.015 0.000 0.882 607 S HN 0.223 nan 8.310 nan 0.000 0.445 608 R N 1.355 121.869 120.500 0.023 0.000 2.083 608 R HA -0.134 4.205 4.340 -0.002 0.000 0.237 608 R C 1.996 178.318 176.300 0.035 0.000 1.137 608 R CA 1.698 57.812 56.100 0.023 0.000 0.951 608 R CB -0.280 30.030 30.300 0.016 0.000 0.851 608 R HN 0.478 nan 8.270 nan 0.000 0.434 609 E N -0.182 120.039 120.200 0.035 0.000 2.110 609 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 609 E C 1.864 178.491 176.600 0.044 0.000 0.988 609 E CA 1.259 57.681 56.400 0.038 0.000 0.804 609 E CB -0.096 29.623 29.700 0.032 0.000 0.745 609 E HN 0.476 nan 8.360 nan 0.000 0.458 610 A N 0.923 123.769 122.820 0.042 0.000 2.014 610 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 610 A C 2.045 179.670 177.584 0.067 0.000 1.163 610 A CA 0.702 52.766 52.037 0.044 0.000 0.652 610 A CB -0.167 18.852 19.000 0.032 0.000 0.808 610 A HN 0.105 nan 8.150 nan 0.000 0.449 611 I N 0.204 120.828 120.570 0.090 0.000 2.353 611 I HA -0.154 4.015 4.170 -0.002 0.000 0.248 611 I C 2.161 178.415 176.117 0.229 0.000 1.119 611 I CA 1.244 62.644 61.300 0.167 0.000 1.417 611 I CB -1.433 36.655 38.000 0.147 0.000 1.078 611 I HN 0.464 nan 8.210 nan 0.000 0.421 612 E N 0.656 120.937 120.200 0.136 0.000 2.153 612 E HA -0.230 4.119 4.350 -0.002 0.000 0.194 612 E C 2.004 178.680 176.600 0.126 0.000 0.988 612 E CA 0.990 57.464 56.400 0.125 0.000 0.811 612 E CB 0.040 29.781 29.700 0.068 0.000 0.746 612 E HN 0.247 nan 8.360 nan 0.000 0.466 613 K N 1.034 121.489 120.400 0.092 0.000 2.057 613 K HA -0.139 4.180 4.320 -0.002 0.000 0.206 613 K C 1.904 178.536 176.600 0.054 0.000 1.050 613 K CA 1.040 57.364 56.287 0.063 0.000 0.935 613 K CB -0.074 32.450 32.500 0.039 0.000 0.715 613 K HN 0.105 nan 8.250 nan 0.000 0.439 614 E N -0.746 119.487 120.200 0.055 0.000 2.047 614 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 614 E C 1.183 177.727 176.600 -0.095 0.000 0.987 614 E CA 1.051 57.427 56.400 -0.041 0.000 0.799 614 E CB -0.046 29.603 29.700 -0.085 0.000 0.752 614 E HN 0.267 nan 8.360 nan 0.000 0.449 615 F N 1.144 121.099 119.950 0.008 0.000 2.780 615 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 615 F C 2.132 177.950 175.800 0.030 0.000 1.146 615 F CA 0.494 58.503 58.000 0.015 0.000 1.428 615 F CB 0.047 39.056 39.000 0.015 0.000 1.115 615 F HN 0.116 nan 8.300 nan 0.000 0.583 616 E N 1.395 121.695 120.200 0.165 0.000 2.114 616 E HA -0.235 4.114 4.350 -0.002 0.000 0.199 616 E C -0.567 176.100 176.600 0.112 0.000 1.008 616 E CA 1.639 58.112 56.400 0.121 0.000 0.810 616 E CB -0.867 28.882 29.700 0.081 0.000 0.739 616 E HN 0.205 nan 8.360 nan 0.000 0.456 617 P HA -0.153 nan 4.420 nan 0.000 0.221 617 P C 1.673 179.058 177.300 0.141 0.000 1.150 617 P CA 0.794 63.943 63.100 0.081 0.000 0.800 617 P CB -0.111 31.601 31.700 0.020 0.000 0.787 618 L N -0.790 120.524 121.223 0.152 0.000 2.131 618 L HA -0.047 4.293 4.340 -0.002 0.000 0.206 618 L C 2.061 179.137 176.870 0.343 0.000 1.087 618 L CA 1.422 56.406 54.840 0.239 0.000 0.767 618 L CB -1.341 40.856 42.059 0.230 0.000 0.917 618 L HN -0.090 nan 8.230 nan 0.000 0.441 619 L N 0.658 122.035 121.223 0.257 0.000 2.093 619 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 619 L C 2.279 179.254 176.870 0.175 0.000 1.085 619 L CA 1.304 56.267 54.840 0.205 0.000 0.755 619 L CB -1.212 40.935 42.059 0.148 0.000 0.904 619 L HN 0.314 nan 8.230 nan 0.000 0.435 620 N N -2.005 116.798 118.700 0.172 0.000 2.354 620 N HA -0.195 4.544 4.740 -0.002 0.000 0.179 620 N C 1.594 177.203 175.510 0.165 0.000 1.021 620 N CA 0.597 53.727 53.050 0.133 0.000 0.887 620 N CB -0.355 38.199 38.487 0.112 0.000 0.974 620 N HN 0.457 nan 8.380 nan 0.000 0.437 621 W N 1.524 122.845 121.300 0.035 0.000 2.381 621 W HA 0.044 4.704 4.660 -0.001 0.000 0.301 621 W C 1.982 178.511 176.519 0.017 0.000 1.205 621 W CA 1.076 58.437 57.345 0.026 0.000 1.285 621 W CB -0.171 29.311 29.460 0.035 0.000 1.133 621 W HN -0.068 nan 8.180 nan 0.000 0.521 622 M N 0.331 119.938 119.600 0.012 0.000 2.156 622 M HA -0.128 4.351 4.480 -0.002 0.000 0.264 622 M C 2.135 178.312 176.300 -0.204 0.000 1.067 622 M CA 1.893 57.070 55.300 -0.205 0.000 1.131 622 M CB -0.614 32.033 32.600 0.078 0.000 1.368 622 M HN -0.175 nan 8.290 nan 0.000 0.416 623 K N 0.854 121.210 120.400 -0.073 0.000 2.057 623 K HA -0.156 4.163 4.320 -0.002 0.000 0.207 623 K C 1.093 177.629 176.600 -0.107 0.000 1.049 623 K CA 1.879 58.122 56.287 -0.073 0.000 0.931 623 K CB -0.159 32.337 32.500 -0.006 0.000 0.714 623 K HN 0.192 nan 8.250 nan 0.000 0.440 624 D N -0.807 119.534 120.400 -0.098 0.000 2.301 624 D HA 0.036 4.675 4.640 -0.002 0.000 0.206 624 D C 1.449 177.659 176.300 -0.150 0.000 0.979 624 D CA 0.778 54.723 54.000 -0.092 0.000 0.874 624 D CB 0.411 41.192 40.800 -0.031 0.000 0.968 624 D HN 0.297 nan 8.370 nan 0.000 0.510 625 K N -0.282 119.956 120.400 -0.270 0.000 2.537 625 K HA 0.281 4.600 4.320 -0.002 0.000 0.216 625 K C 1.886 178.214 176.600 -0.454 0.000 1.349 625 K CA 0.466 56.560 56.287 -0.321 0.000 0.841 625 K CB 0.003 32.342 32.500 -0.270 0.000 1.659 625 K HN -0.118 nan 8.250 nan 0.000 0.435 626 A N 1.284 123.613 122.820 -0.819 0.000 1.917 626 A HA -0.075 4.244 4.320 -0.002 0.000 0.219 626 A C 1.091 178.360 177.584 -0.526 0.000 1.182 626 A CA 1.321 52.875 52.037 -0.804 0.000 0.633 626 A CB -0.212 17.909 19.000 -1.466 0.000 0.819 626 A HN 0.303 nan 8.150 nan 0.000 0.448 627 L N -0.003 120.913 121.223 -0.511 0.000 3.186 627 L HA 0.183 4.522 4.340 -0.002 0.000 0.292 627 L C 0.068 176.714 176.870 -0.374 0.000 1.303 627 L CA -0.127 54.414 54.840 -0.497 0.000 0.940 627 L CB -0.395 41.245 42.059 -0.699 0.000 1.358 627 L HN 0.523 nan 8.230 nan 0.000 0.581 628 K N -0.392 119.836 120.400 -0.288 0.000 2.412 628 K HA 0.140 4.459 4.320 -0.002 0.000 0.281 628 K C -0.371 176.124 176.600 -0.176 0.000 1.027 628 K CA -0.126 56.039 56.287 -0.202 0.000 0.989 628 K CB 0.868 33.272 32.500 -0.160 0.000 0.935 628 K HN 0.117 nan 8.250 nan 0.000 0.475 629 D N 1.691 122.005 120.400 -0.144 0.000 3.041 629 D HA -0.138 4.501 4.640 -0.002 0.000 0.220 629 D C 0.100 176.321 176.300 -0.132 0.000 1.157 629 D CA 0.937 54.870 54.000 -0.113 0.000 0.876 629 D CB -0.423 40.326 40.800 -0.086 0.000 1.107 629 D HN 0.751 nan 8.370 nan 0.000 0.422 630 K N -0.420 119.857 120.400 -0.206 0.000 2.403 630 K HA 0.251 4.570 4.320 -0.002 0.000 0.199 630 K C 1.403 177.859 176.600 -0.240 0.000 1.199 630 K CA 0.418 56.546 56.287 -0.264 0.000 0.924 630 K CB 1.327 33.511 32.500 -0.526 0.000 1.137 630 K HN 0.449 nan 8.250 nan 0.000 0.510 631 I N -2.094 118.322 120.570 -0.256 0.000 3.002 631 I HA 0.331 4.501 4.170 -0.002 0.000 0.310 631 I C 1.068 177.142 176.117 -0.072 0.000 1.087 631 I CA -0.747 60.472 61.300 -0.134 0.000 1.017 631 I CB 2.514 40.429 38.000 -0.141 0.000 1.226 631 I HN -0.094 nan 8.210 nan 0.000 0.443 632 E N 2.390 122.579 120.200 -0.019 0.000 2.060 632 E HA 0.023 4.372 4.350 -0.002 0.000 0.189 632 E C -0.062 176.537 176.600 -0.001 0.000 0.974 632 E CA 0.827 57.219 56.400 -0.012 0.000 0.808 632 E CB 0.439 30.139 29.700 -0.000 0.000 0.768 632 E HN 0.707 nan 8.360 nan 0.000 0.453 633 K N -1.473 118.943 120.400 0.026 0.000 2.579 633 K HA 0.646 4.965 4.320 -0.002 0.000 0.284 633 K C -1.726 174.925 176.600 0.085 0.000 0.990 633 K CA -0.842 55.469 56.287 0.040 0.000 0.880 633 K CB 1.622 34.142 32.500 0.033 0.000 1.488 633 K HN -0.021 nan 8.250 nan 0.000 0.425 634 A N 1.236 124.110 122.820 0.089 0.000 2.331 634 A HA 0.722 5.041 4.320 -0.002 0.000 0.320 634 A C -0.420 177.195 177.584 0.053 0.000 1.138 634 A CA -0.509 51.596 52.037 0.113 0.000 0.790 634 A CB 1.076 20.175 19.000 0.165 0.000 1.206 634 A HN 0.887 nan 8.150 nan 0.000 0.470 635 V N -0.174 119.740 119.914 0.001 0.000 3.167 635 V HA 0.788 4.907 4.120 -0.002 0.000 0.310 635 V C -0.368 175.670 176.094 -0.093 0.000 1.207 635 V CA -0.934 61.353 62.300 -0.022 0.000 1.059 635 V CB 1.404 33.223 31.823 -0.007 0.000 1.079 635 V HN 0.601 nan 8.190 nan 0.000 0.446 636 V N 2.097 121.954 119.914 -0.095 0.000 2.432 636 V HA 0.383 4.502 4.120 -0.002 0.000 0.271 636 V C 0.794 176.812 176.094 -0.127 0.000 1.046 636 V CA 0.473 62.671 62.300 -0.170 0.000 0.945 636 V CB 0.946 32.678 31.823 -0.152 0.000 0.992 636 V HN 1.064 nan 8.190 nan 0.000 0.471 637 S N 3.777 119.382 115.700 -0.159 0.000 2.565 637 S HA 0.206 4.675 4.470 -0.002 0.000 0.276 637 S C 0.699 175.250 174.600 -0.082 0.000 1.326 637 S CA -0.199 57.939 58.200 -0.103 0.000 1.045 637 S CB 0.948 64.072 63.200 -0.127 0.000 0.918 637 S HN 0.824 nan 8.310 nan 0.000 0.505 638 Q N 1.620 121.410 119.800 -0.016 0.000 2.246 638 Q HA 0.140 4.479 4.340 -0.002 0.000 0.222 638 Q C 1.318 177.301 176.000 -0.027 0.000 0.851 638 Q CA -0.065 55.721 55.803 -0.028 0.000 0.945 638 Q CB 0.437 29.246 28.738 0.118 0.000 1.122 638 Q HN 0.810 nan 8.270 nan 0.000 0.508 639 R N -0.598 119.933 120.500 0.052 0.000 2.362 639 R HA 0.264 4.603 4.340 -0.002 0.000 0.227 639 R C 0.168 176.468 176.300 -0.001 0.000 0.905 639 R CA -0.050 56.104 56.100 0.090 0.000 1.067 639 R CB 0.237 30.628 30.300 0.151 0.000 1.078 639 R HN -0.043 nan 8.270 nan 0.000 0.516 640 L N 1.046 122.233 121.223 -0.060 0.000 2.295 640 L HA 0.368 4.707 4.340 -0.002 0.000 0.285 640 L C 0.288 177.114 176.870 -0.074 0.000 1.035 640 L CA -0.544 54.248 54.840 -0.079 0.000 0.806 640 L CB 2.074 44.067 42.059 -0.110 0.000 1.214 640 L HN 0.038 nan 8.230 nan 0.000 0.426 641 T N 0.018 114.541 114.554 -0.051 0.000 3.115 641 T HA 0.035 4.385 4.350 -0.002 0.000 0.235 641 T C 1.204 175.901 174.700 -0.004 0.000 0.999 641 T CA 0.507 62.587 62.100 -0.034 0.000 1.276 641 T CB 0.183 69.038 68.868 -0.021 0.000 0.967 641 T HN 0.571 nan 8.240 nan 0.000 0.420 642 E N 0.775 120.980 120.200 0.009 0.000 2.473 642 E HA 0.256 4.605 4.350 -0.002 0.000 0.204 642 E C 0.078 176.731 176.600 0.088 0.000 0.994 642 E CA -0.129 56.308 56.400 0.061 0.000 0.945 642 E CB 0.584 30.308 29.700 0.040 0.000 0.990 642 E HN 0.148 nan 8.360 nan 0.000 0.493 643 S N 2.619 118.309 115.700 -0.015 0.000 2.564 643 S HA 0.051 4.520 4.470 -0.002 0.000 0.278 643 S C -1.538 172.948 174.600 -0.190 0.000 1.333 643 S CA -1.092 57.050 58.200 -0.097 0.000 1.048 643 S CB 0.988 64.106 63.200 -0.137 0.000 0.900 643 S HN 0.112 nan 8.310 nan 0.000 0.505 644 P HA 0.023 nan 4.420 nan 0.000 0.217 644 P C 0.347 177.466 177.300 -0.303 0.000 1.151 644 P CA 0.753 63.516 63.100 -0.560 0.000 0.828 644 P CB -0.275 31.032 31.700 -0.654 0.000 0.788 645 C N -3.252 115.908 119.300 -0.233 0.000 3.292 645 C HA 0.890 5.349 4.460 -0.002 0.000 0.338 645 C C -1.309 173.584 174.990 -0.162 0.000 1.323 645 C CA -0.903 57.959 59.018 -0.261 0.000 1.232 645 C CB 1.302 28.832 27.740 -0.350 0.000 1.517 645 C HN 0.408 nan 8.230 nan 0.000 0.470 646 A N 0.820 123.546 122.820 -0.158 0.000 2.606 646 A HA 0.817 5.136 4.320 -0.002 0.000 0.293 646 A C -1.610 176.075 177.584 0.169 0.000 1.082 646 A CA -0.606 51.392 52.037 -0.066 0.000 0.685 646 A CB 1.035 19.826 19.000 -0.347 0.000 1.284 646 A HN 1.148 nan 8.150 nan 0.000 0.408 647 L N 1.673 123.072 121.223 0.293 0.000 2.264 647 L HA 0.516 4.856 4.340 -0.002 0.000 0.289 647 L C -0.817 176.307 176.870 0.425 0.000 1.044 647 L CA -0.710 54.323 54.840 0.321 0.000 0.807 647 L CB 1.320 43.441 42.059 0.104 0.000 1.192 647 L HN 0.446 nan 8.230 nan 0.000 0.425 648 V N 3.103 123.182 119.914 0.274 0.000 2.495 648 V HA 0.573 4.692 4.120 -0.002 0.000 0.298 648 V C 0.487 176.634 176.094 0.089 0.000 1.031 648 V CA -0.598 61.822 62.300 0.200 0.000 0.871 648 V CB 1.671 33.594 31.823 0.166 0.000 0.988 648 V HN 0.881 nan 8.190 nan 0.000 0.432 649 A N 3.779 126.642 122.820 0.072 0.000 2.287 649 A HA 0.723 5.042 4.320 -0.002 0.000 0.273 649 A C 0.712 178.280 177.584 -0.028 0.000 1.091 649 A CA 0.045 52.111 52.037 0.048 0.000 0.817 649 A CB 0.585 19.662 19.000 0.128 0.000 1.069 649 A HN 1.127 nan 8.150 nan 0.000 0.492 650 S N -0.426 115.242 115.700 -0.053 0.000 2.608 650 S HA 0.076 4.545 4.470 -0.002 0.000 0.261 650 S C 0.977 175.438 174.600 -0.232 0.000 1.314 650 S CA 0.572 58.694 58.200 -0.129 0.000 0.992 650 S CB 0.605 63.737 63.200 -0.114 0.000 0.935 650 S HN 0.795 nan 8.310 nan 0.000 0.564 651 Q N 0.041 119.586 119.800 -0.425 0.000 2.135 651 Q HA -0.152 4.187 4.340 -0.002 0.000 0.204 651 Q C 0.512 176.131 176.000 -0.634 0.000 0.981 651 Q CA 1.795 57.213 55.803 -0.642 0.000 0.856 651 Q CB -0.206 27.948 28.738 -0.974 0.000 0.902 651 Q HN 0.944 nan 8.270 nan 0.000 0.425 652 Y N -1.760 118.466 120.300 -0.122 0.000 2.584 652 Y HA 0.395 4.944 4.550 -0.001 0.000 0.254 652 Y C 0.894 176.565 175.900 -0.382 0.000 1.177 652 Y CA -0.590 57.392 58.100 -0.195 0.000 1.216 652 Y CB 0.418 38.758 38.460 -0.200 0.000 1.172 652 Y HN 0.023 nan 8.280 nan 0.000 0.529 653 G N -0.434 108.236 108.800 -0.216 0.000 2.510 653 G HA2 0.203 4.162 3.960 -0.002 0.000 0.280 653 G HA3 0.203 4.162 3.960 -0.002 0.000 0.280 653 G C -1.246 173.748 174.900 0.156 0.000 1.386 653 G CA -0.498 44.472 45.100 -0.217 0.000 1.047 653 G HN 0.115 nan 8.290 nan 0.000 0.527 654 W N 0.811 122.154 121.300 0.071 0.000 2.390 654 W HA 0.532 5.191 4.660 -0.002 0.000 0.312 654 W C 0.920 177.499 176.519 0.098 0.000 1.123 654 W CA -1.427 55.978 57.345 0.100 0.000 1.202 654 W CB 0.877 30.447 29.460 0.182 0.000 1.251 654 W HN 0.608 nan 8.180 nan 0.000 0.511 655 S N 0.933 116.737 115.700 0.174 0.000 2.661 655 S HA 0.473 4.942 4.470 -0.002 0.000 0.265 655 S C 1.357 175.819 174.600 -0.230 0.000 1.225 655 S CA -0.013 58.180 58.200 -0.013 0.000 0.986 655 S CB 0.976 64.079 63.200 -0.162 0.000 1.008 655 S HN 0.611 nan 8.310 nan 0.000 0.565 656 G N 0.908 109.280 108.800 -0.714 0.000 2.446 656 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.217 656 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.217 656 G C 1.366 176.004 174.900 -0.436 0.000 1.168 656 G CA 1.133 45.603 45.100 -1.049 0.000 0.771 656 G HN 0.761 nan 8.290 nan 0.000 0.551 657 N N -0.132 118.390 118.700 -0.297 0.000 2.058 657 N HA -0.105 4.634 4.740 -0.002 0.000 0.191 657 N C 2.286 177.675 175.510 -0.201 0.000 1.037 657 N CA 1.338 54.274 53.050 -0.191 0.000 0.848 657 N CB -0.251 38.154 38.487 -0.137 0.000 1.021 657 N HN 0.093 nan 8.380 nan 0.000 0.422 658 M N 1.002 120.454 119.600 -0.246 0.000 2.088 658 M HA -0.194 4.285 4.480 -0.002 0.000 0.256 658 M C 2.076 178.127 176.300 -0.415 0.000 1.071 658 M CA 1.562 56.629 55.300 -0.389 0.000 1.097 658 M CB -1.286 31.041 32.600 -0.455 0.000 1.315 658 M HN 0.401 nan 8.290 nan 0.000 0.406 659 E N -0.271 119.815 120.200 -0.189 0.000 2.114 659 E HA -0.274 4.075 4.350 -0.002 0.000 0.199 659 E C 2.213 178.772 176.600 -0.068 0.000 1.008 659 E CA 1.607 58.004 56.400 -0.006 0.000 0.810 659 E CB -0.104 29.717 29.700 0.202 0.000 0.739 659 E HN 0.394 nan 8.360 nan 0.000 0.456 660 R N 0.283 120.725 120.500 -0.096 0.000 2.066 660 R HA -0.116 4.223 4.340 -0.002 0.000 0.232 660 R C 2.511 178.773 176.300 -0.064 0.000 1.131 660 R CA 1.486 57.545 56.100 -0.068 0.000 0.955 660 R CB -0.256 30.001 30.300 -0.073 0.000 0.851 660 R HN 0.242 nan 8.270 nan 0.000 0.432 661 I N 0.638 121.152 120.570 -0.093 0.000 2.226 661 I HA -0.314 3.855 4.170 -0.002 0.000 0.245 661 I C 2.411 178.494 176.117 -0.056 0.000 1.100 661 I CA 1.009 62.280 61.300 -0.048 0.000 1.374 661 I CB -0.189 37.809 38.000 -0.004 0.000 1.057 661 I HN 0.261 nan 8.210 nan 0.000 0.413 662 M N 0.235 119.730 119.600 -0.175 0.000 2.064 662 M HA -0.156 4.323 4.480 -0.002 0.000 0.260 662 M C 2.329 178.617 176.300 -0.021 0.000 1.073 662 M CA 1.669 56.860 55.300 -0.181 0.000 1.124 662 M CB -1.074 31.173 32.600 -0.589 0.000 1.326 662 M HN 0.082 nan 8.290 nan 0.000 0.410 663 K N 0.509 120.913 120.400 0.007 0.000 2.059 663 K HA -0.129 4.190 4.320 -0.002 0.000 0.212 663 K C 2.068 178.720 176.600 0.086 0.000 1.050 663 K CA 1.817 58.145 56.287 0.067 0.000 0.927 663 K CB -0.878 31.648 32.500 0.044 0.000 0.714 663 K HN 0.379 nan 8.250 nan 0.000 0.447 664 A N 1.240 124.094 122.820 0.055 0.000 1.883 664 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 664 A C 2.234 179.888 177.584 0.116 0.000 1.186 664 A CA 2.031 54.123 52.037 0.092 0.000 0.624 664 A CB -0.596 18.433 19.000 0.048 0.000 0.822 664 A HN 0.496 nan 8.150 nan 0.000 0.444 665 Q N -0.857 118.983 119.800 0.066 0.000 2.167 665 Q HA -0.036 4.303 4.340 -0.002 0.000 0.202 665 Q C 2.036 178.075 176.000 0.064 0.000 0.970 665 Q CA 1.234 57.065 55.803 0.048 0.000 0.855 665 Q CB -0.264 28.486 28.738 0.020 0.000 0.911 665 Q HN 0.604 nan 8.270 nan 0.000 0.438 666 A N -0.464 122.412 122.820 0.093 0.000 2.119 666 A HA -0.126 4.193 4.320 -0.002 0.000 0.216 666 A C 1.594 179.263 177.584 0.142 0.000 1.152 666 A CA 0.720 52.821 52.037 0.107 0.000 0.708 666 A CB -0.436 18.640 19.000 0.126 0.000 0.805 666 A HN 0.638 nan 8.150 nan 0.000 0.460 667 Y N -0.397 119.917 120.300 0.023 0.000 2.343 667 Y HA 0.132 4.681 4.550 -0.001 0.000 0.294 667 Y C 2.753 178.660 175.900 0.012 0.000 1.122 667 Y CA 1.863 59.975 58.100 0.019 0.000 1.173 667 Y CB -0.589 37.883 38.460 0.020 0.000 1.077 667 Y HN 0.364 nan 8.280 nan 0.000 0.542 668 Q N -0.405 119.382 119.800 -0.020 0.000 2.123 668 Q HA 0.030 4.369 4.340 -0.002 0.000 0.199 668 Q C 2.022 177.966 176.000 -0.093 0.000 0.966 668 Q CA 2.581 58.320 55.803 -0.106 0.000 0.845 668 Q CB -1.582 27.150 28.738 -0.010 0.000 0.907 668 Q HN 0.694 nan 8.270 nan 0.000 0.439 669 T N -1.222 113.309 114.554 -0.038 0.000 3.138 669 T HA 0.494 4.843 4.350 -0.002 0.000 0.245 669 T C 1.544 176.234 174.700 -0.016 0.000 0.982 669 T CA 0.932 63.014 62.100 -0.030 0.000 1.134 669 T CB -0.377 68.482 68.868 -0.015 0.000 1.032 669 T HN 0.746 nan 8.240 nan 0.000 0.442 670 G N 0.354 109.160 108.800 0.011 0.000 2.647 670 G HA2 0.449 4.408 3.960 -0.002 0.000 0.271 670 G HA3 0.449 4.408 3.960 -0.002 0.000 0.271 670 G C 0.332 175.246 174.900 0.023 0.000 1.300 670 G CA 0.525 45.640 45.100 0.026 0.000 0.997 670 G HN 0.814 nan 8.290 nan 0.000 0.533 671 K N -0.896 119.524 120.400 0.033 0.000 2.901 671 K HA 0.616 4.935 4.320 -0.002 0.000 0.199 671 K C 0.288 176.917 176.600 0.048 0.000 1.140 671 K CA 0.923 57.228 56.287 0.031 0.000 1.030 671 K CB -0.937 31.574 32.500 0.019 0.000 1.437 671 K HN 2.156 nan 8.250 nan 0.000 0.552 672 D N -1.257 119.187 120.400 0.073 0.000 3.620 672 D HA 0.082 4.721 4.640 -0.002 0.000 0.237 672 D C 0.315 176.659 176.300 0.074 0.000 1.111 672 D CA 0.782 54.834 54.000 0.087 0.000 1.070 672 D CB -2.354 38.493 40.800 0.079 0.000 0.891 672 D HN 1.938 nan 8.370 nan 0.000 0.412 673 I N -0.486 120.139 120.570 0.091 0.000 2.330 673 I HA 0.779 4.948 4.170 -0.002 0.000 0.280 673 I C 2.163 178.329 176.117 0.082 0.000 1.069 673 I CA 1.279 62.630 61.300 0.085 0.000 1.873 673 I CB -0.737 37.339 38.000 0.126 0.000 1.476 673 I HN 1.369 nan 8.210 nan 0.000 0.813 674 S N 1.444 117.179 115.700 0.058 0.000 2.336 674 S HA 0.205 4.674 4.470 -0.002 0.000 0.216 674 S C 1.804 176.414 174.600 0.018 0.000 1.032 674 S CA 1.606 59.834 58.200 0.047 0.000 0.973 674 S CB -0.408 62.816 63.200 0.040 0.000 0.888 674 S HN 1.404 nan 8.310 nan 0.000 0.455 675 T N 1.213 115.768 114.554 0.001 0.000 3.629 675 T HA 0.603 4.952 4.350 -0.002 0.000 0.317 675 T C 0.827 175.497 174.700 -0.048 0.000 1.690 675 T CA 0.462 62.547 62.100 -0.024 0.000 1.276 675 T CB -1.390 67.467 68.868 -0.017 0.000 1.205 675 T HN 0.683 nan 8.240 nan 0.000 0.824 676 N N -0.500 118.154 118.700 -0.076 0.000 2.227 676 N HA 0.522 5.261 4.740 -0.002 0.000 0.203 676 N C 1.433 176.805 175.510 -0.230 0.000 1.037 676 N CA 1.765 54.735 53.050 -0.133 0.000 1.005 676 N CB -0.692 37.714 38.487 -0.134 0.000 1.214 676 N HN 0.928 nan 8.380 nan 0.000 0.527 677 Y N -1.575 118.481 120.300 -0.407 0.000 2.892 677 Y HA 0.402 4.951 4.550 -0.002 0.000 0.121 677 Y C 0.580 176.218 175.900 -0.437 0.000 0.920 677 Y CA 0.369 58.191 58.100 -0.464 0.000 1.885 677 Y CB -0.131 37.888 38.460 -0.735 0.000 1.241 677 Y HN 0.640 nan 8.280 nan 0.000 0.234 678 Y N 1.328 121.322 120.300 -0.509 0.000 2.928 678 Y HA 0.739 5.288 4.550 -0.002 0.000 0.390 678 Y C 0.897 176.304 175.900 -0.822 0.000 1.101 678 Y CA -0.960 56.812 58.100 -0.547 0.000 1.777 678 Y CB -0.235 37.950 38.460 -0.457 0.000 1.720 678 Y HN 0.492 nan 8.280 nan 0.000 0.484 679 A N 0.606 123.118 122.820 -0.513 0.000 1.999 679 A HA 0.103 4.422 4.320 -0.002 0.000 0.200 679 A C 1.550 179.140 177.584 0.011 0.000 1.363 679 A CA 0.596 52.497 52.037 -0.227 0.000 0.844 679 A CB -0.401 18.501 19.000 -0.164 0.000 0.954 679 A HN 0.387 nan 8.150 nan 0.000 0.481 680 S N 0.740 116.413 115.700 -0.045 0.000 2.537 680 S HA 0.295 4.765 4.470 -0.002 0.000 0.246 680 S C 0.223 174.815 174.600 -0.014 0.000 1.036 680 S CA -0.387 57.811 58.200 -0.004 0.000 1.041 680 S CB -0.708 62.485 63.200 -0.011 0.000 0.799 680 S HN 0.637 nan 8.310 nan 0.000 0.456 681 Q N 1.065 120.857 119.800 -0.013 0.000 2.230 681 Q HA 0.487 4.826 4.340 -0.002 0.000 0.248 681 Q C -0.805 175.190 176.000 -0.009 0.000 0.915 681 Q CA -0.914 54.883 55.803 -0.009 0.000 0.900 681 Q CB 0.979 29.718 28.738 0.001 0.000 1.229 681 Q HN 0.169 nan 8.270 nan 0.000 0.439 682 K N 1.697 122.088 120.400 -0.015 0.000 2.355 682 K HA 0.195 4.514 4.320 -0.002 0.000 0.270 682 K C -0.263 176.324 176.600 -0.022 0.000 1.003 682 K CA -0.489 55.786 56.287 -0.020 0.000 0.957 682 K CB 0.494 32.979 32.500 -0.025 0.000 0.939 682 K HN 0.415 nan 8.250 nan 0.000 0.482 683 K N 1.135 121.518 120.400 -0.028 0.000 2.132 683 K HA 0.249 4.568 4.320 -0.002 0.000 0.241 683 K C -0.167 176.466 176.600 0.056 0.000 1.000 683 K CA -0.545 55.727 56.287 -0.026 0.000 0.911 683 K CB 1.298 33.712 32.500 -0.143 0.000 1.093 683 K HN 0.450 nan 8.250 nan 0.000 0.460 684 T N 1.950 116.549 114.554 0.076 0.000 2.729 684 T HA 0.198 4.547 4.350 -0.002 0.000 0.296 684 T C -0.474 174.350 174.700 0.206 0.000 0.928 684 T CA -0.262 61.904 62.100 0.110 0.000 1.045 684 T CB -0.274 68.633 68.868 0.065 0.000 0.902 684 T HN 0.217 nan 8.240 nan 0.000 0.500 685 F N 4.296 124.276 119.950 0.050 0.000 2.404 685 F HA 0.289 4.815 4.527 -0.002 0.000 0.359 685 F C 0.496 176.327 175.800 0.050 0.000 1.134 685 F CA -1.334 56.713 58.000 0.079 0.000 1.160 685 F CB 0.138 39.197 39.000 0.098 0.000 1.186 685 F HN 0.503 nan 8.300 nan 0.000 0.526 686 E N 7.363 127.410 120.200 -0.256 0.000 2.197 686 E HA 0.406 4.755 4.350 -0.002 0.000 0.281 686 E C -0.480 175.803 176.600 -0.528 0.000 0.995 686 E CA -0.693 55.530 56.400 -0.295 0.000 0.808 686 E CB 1.949 31.580 29.700 -0.115 0.000 1.093 686 E HN 0.656 nan 8.360 nan 0.000 0.394 687 I N -0.141 120.157 120.570 -0.453 0.000 2.693 687 I HA 0.475 4.644 4.170 -0.002 0.000 0.303 687 I C -0.291 175.631 176.117 -0.326 0.000 1.025 687 I CA -1.153 59.888 61.300 -0.432 0.000 1.086 687 I CB 1.712 39.480 38.000 -0.386 0.000 1.268 687 I HN 0.203 nan 8.210 nan 0.000 0.440 688 N N 5.968 124.507 118.700 -0.267 0.000 2.406 688 N HA 0.318 5.057 4.740 -0.002 0.000 0.251 688 N C -1.712 173.663 175.510 -0.224 0.000 1.069 688 N CA -2.490 50.441 53.050 -0.199 0.000 0.947 688 N CB 1.194 39.616 38.487 -0.108 0.000 1.111 688 N HN 0.478 nan 8.380 nan 0.000 0.497 689 P HA -0.092 nan 4.420 nan 0.000 0.223 689 P C 0.372 177.650 177.300 -0.037 0.000 1.151 689 P CA 1.043 63.859 63.100 -0.473 0.000 0.787 689 P CB 0.210 31.652 31.700 -0.429 0.000 0.788 690 R N 0.028 120.520 120.500 -0.012 0.000 3.311 690 R HA 0.167 4.507 4.340 -0.002 0.000 0.332 690 R C -0.017 176.321 176.300 0.062 0.000 1.317 690 R CA -0.325 55.799 56.100 0.041 0.000 1.192 690 R CB -1.620 28.684 30.300 0.007 0.000 1.454 690 R HN 0.351 nan 8.270 nan 0.000 0.605 691 H N 1.149 120.219 119.070 0.001 0.000 2.547 691 H HA 0.317 4.872 4.556 -0.002 0.000 0.342 691 H C -2.091 173.257 175.328 0.034 0.000 1.048 691 H CA -2.211 53.838 56.048 0.003 0.000 1.204 691 H CB 2.872 32.622 29.762 -0.019 0.000 1.493 691 H HN 0.015 nan 8.280 nan 0.000 0.511 692 P HA -0.233 nan 4.420 nan 0.000 0.218 692 P C 1.565 178.929 177.300 0.107 0.000 1.154 692 P CA 0.828 63.898 63.100 -0.051 0.000 0.872 692 P CB 0.522 32.123 31.700 -0.164 0.000 0.790 693 L N -1.214 120.193 121.223 0.307 0.000 2.072 693 L HA -0.052 4.287 4.340 -0.002 0.000 0.205 693 L C 2.368 179.366 176.870 0.213 0.000 1.079 693 L CA 1.569 56.569 54.840 0.267 0.000 0.752 693 L CB -1.310 40.929 42.059 0.301 0.000 0.906 693 L HN -0.218 nan 8.230 nan 0.000 0.436 694 I N -0.320 120.397 120.570 0.245 0.000 2.315 694 I HA -0.244 3.925 4.170 -0.002 0.000 0.248 694 I C 2.363 178.642 176.117 0.269 0.000 1.117 694 I CA 1.316 62.740 61.300 0.208 0.000 1.404 694 I CB -0.532 37.541 38.000 0.122 0.000 1.071 694 I HN 0.202 nan 8.210 nan 0.000 0.419 695 K N 0.114 120.657 120.400 0.238 0.000 2.148 695 K HA -0.157 4.162 4.320 -0.002 0.000 0.204 695 K C 1.515 178.154 176.600 0.064 0.000 1.050 695 K CA 1.391 57.783 56.287 0.176 0.000 0.942 695 K CB -0.210 32.366 32.500 0.128 0.000 0.724 695 K HN 0.271 nan 8.250 nan 0.000 0.446 696 D N 0.679 121.116 120.400 0.062 0.000 2.183 696 D HA -0.092 4.547 4.640 -0.002 0.000 0.203 696 D C 1.740 178.035 176.300 -0.008 0.000 0.969 696 D CA 0.880 54.891 54.000 0.017 0.000 0.842 696 D CB 0.029 40.847 40.800 0.030 0.000 0.957 696 D HN 0.099 nan 8.370 nan 0.000 0.484 697 M N -0.105 119.514 119.600 0.031 0.000 2.132 697 M HA -0.102 4.377 4.480 -0.002 0.000 0.263 697 M C 1.872 178.118 176.300 -0.090 0.000 1.065 697 M CA 0.843 56.137 55.300 -0.011 0.000 1.122 697 M CB 0.107 32.767 32.600 0.099 0.000 1.365 697 M HN 0.041 nan 8.290 nan 0.000 0.411 698 L N 0.281 121.493 121.223 -0.018 0.000 1.994 698 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 698 L C 2.437 179.201 176.870 -0.176 0.000 1.071 698 L CA 1.950 56.725 54.840 -0.109 0.000 0.745 698 L CB -0.773 41.138 42.059 -0.246 0.000 0.892 698 L HN 0.263 nan 8.230 nan 0.000 0.431 699 R N -0.675 119.738 120.500 -0.145 0.000 2.066 699 R HA -0.163 4.176 4.340 -0.002 0.000 0.232 699 R C 2.576 178.793 176.300 -0.139 0.000 1.131 699 R CA 1.581 57.601 56.100 -0.135 0.000 0.955 699 R CB -0.280 29.961 30.300 -0.098 0.000 0.851 699 R HN 0.341 nan 8.270 nan 0.000 0.432 700 R N 0.013 120.427 120.500 -0.143 0.000 2.189 700 R HA -0.040 4.299 4.340 -0.002 0.000 0.218 700 R C 1.992 178.151 176.300 -0.235 0.000 1.074 700 R CA 0.787 56.795 56.100 -0.153 0.000 0.991 700 R CB 0.155 30.381 30.300 -0.123 0.000 0.883 700 R HN 0.134 nan 8.270 nan 0.000 0.457 701 V N 0.788 120.496 119.914 -0.342 0.000 2.407 701 V HA -0.172 3.948 4.120 -0.002 0.000 0.245 701 V C 1.866 177.782 176.094 -0.297 0.000 1.041 701 V CA 1.572 63.571 62.300 -0.501 0.000 1.040 701 V CB -0.212 31.136 31.823 -0.792 0.000 0.671 701 V HN 0.285 nan 8.190 nan 0.000 0.455 702 K N -0.281 119.992 120.400 -0.212 0.000 2.360 702 K HA -0.151 4.168 4.320 -0.002 0.000 0.201 702 K C 1.814 178.349 176.600 -0.109 0.000 1.046 702 K CA 1.141 57.345 56.287 -0.139 0.000 0.945 702 K CB 0.022 32.448 32.500 -0.124 0.000 0.750 702 K HN 0.618 nan 8.250 nan 0.000 0.464 703 E N 0.446 120.575 120.200 -0.118 0.000 2.045 703 E HA -0.048 4.301 4.350 -0.002 0.000 0.195 703 E C 0.117 176.670 176.600 -0.077 0.000 0.953 703 E CA 0.345 56.694 56.400 -0.086 0.000 0.859 703 E CB 0.201 29.853 29.700 -0.080 0.000 0.854 703 E HN -0.001 nan 8.360 nan 0.000 0.471 704 D N 0.438 120.784 120.400 -0.090 0.000 2.454 704 D HA 0.043 4.683 4.640 -0.002 0.000 0.225 704 D C 0.004 176.246 176.300 -0.095 0.000 1.081 704 D CA 0.046 54.008 54.000 -0.065 0.000 0.864 704 D CB 1.040 41.815 40.800 -0.042 0.000 1.040 704 D HN 0.070 nan 8.370 nan 0.000 0.517 705 E N 1.951 122.110 120.200 -0.068 0.000 2.208 705 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 705 E C -0.042 176.631 176.600 0.122 0.000 0.988 705 E CA 0.617 56.983 56.400 -0.056 0.000 0.828 705 E CB 0.403 30.114 29.700 0.018 0.000 0.763 705 E HN 0.344 nan 8.360 nan 0.000 0.478 706 D N 1.056 121.512 120.400 0.094 0.000 2.491 706 D HA 0.014 4.653 4.640 -0.002 0.000 0.228 706 D C -0.759 175.602 176.300 0.101 0.000 1.183 706 D CA 0.072 54.147 54.000 0.125 0.000 0.827 706 D CB 0.022 40.871 40.800 0.081 0.000 0.989 706 D HN 0.042 nan 8.370 nan 0.000 0.494 707 D N 1.138 121.591 120.400 0.088 0.000 2.344 707 D HA -0.009 4.630 4.640 -0.002 0.000 0.253 707 D C 1.293 177.665 176.300 0.119 0.000 1.255 707 D CA -0.033 54.007 54.000 0.065 0.000 0.894 707 D CB 0.810 41.617 40.800 0.011 0.000 1.067 707 D HN -0.092 nan 8.370 nan 0.000 0.492 708 K N 1.894 122.351 120.400 0.096 0.000 2.209 708 K HA -0.135 4.184 4.320 -0.002 0.000 0.204 708 K C 1.356 178.016 176.600 0.100 0.000 1.048 708 K CA 1.169 57.515 56.287 0.098 0.000 0.940 708 K CB 0.270 32.807 32.500 0.062 0.000 0.729 708 K HN 0.365 nan 8.250 nan 0.000 0.451 709 T N 0.403 115.005 114.554 0.080 0.000 2.720 709 T HA -0.122 4.227 4.350 -0.002 0.000 0.268 709 T C 1.802 176.565 174.700 0.105 0.000 1.037 709 T CA 1.567 63.710 62.100 0.072 0.000 1.144 709 T CB -0.115 68.780 68.868 0.046 0.000 0.864 709 T HN 0.018 nan 8.240 nan 0.000 0.444 710 V N 1.023 121.014 119.914 0.128 0.000 2.323 710 V HA -0.120 3.999 4.120 -0.002 0.000 0.244 710 V C 2.690 179.008 176.094 0.373 0.000 1.041 710 V CA 1.727 64.138 62.300 0.185 0.000 1.025 710 V CB -0.956 30.898 31.823 0.052 0.000 0.656 710 V HN 0.470 nan 8.190 nan 0.000 0.451 711 S N 0.305 116.250 115.700 0.407 0.000 2.359 711 S HA -0.260 4.210 4.470 -0.002 0.000 0.224 711 S C 1.688 176.371 174.600 0.138 0.000 1.035 711 S CA 2.138 60.526 58.200 0.313 0.000 1.018 711 S CB -0.472 62.855 63.200 0.212 0.000 0.876 711 S HN 0.660 nan 8.310 nan 0.000 0.448 712 D N 0.818 121.289 120.400 0.119 0.000 2.269 712 D HA 0.030 4.670 4.640 -0.002 0.000 0.208 712 D C 1.804 178.160 176.300 0.093 0.000 0.963 712 D CA 0.379 54.425 54.000 0.077 0.000 0.864 712 D CB -0.301 40.533 40.800 0.057 0.000 0.936 712 D HN 0.414 nan 8.370 nan 0.000 0.505 713 L N 0.372 121.673 121.223 0.129 0.000 2.068 713 L HA -0.027 4.312 4.340 -0.002 0.000 0.204 713 L C 2.151 179.120 176.870 0.164 0.000 1.076 713 L CA 1.092 56.012 54.840 0.134 0.000 0.753 713 L CB -0.185 41.956 42.059 0.136 0.000 0.910 713 L HN -0.033 nan 8.230 nan 0.000 0.439 714 A N -0.521 122.425 122.820 0.211 0.000 1.986 714 A HA -0.184 4.135 4.320 -0.002 0.000 0.220 714 A C 2.165 179.821 177.584 0.120 0.000 1.171 714 A CA 2.084 54.247 52.037 0.211 0.000 0.640 714 A CB -0.969 18.166 19.000 0.225 0.000 0.811 714 A HN 0.368 nan 8.150 nan 0.000 0.451 715 V N -0.696 119.266 119.914 0.081 0.000 2.283 715 V HA -0.203 3.916 4.120 -0.002 0.000 0.243 715 V C 2.545 178.752 176.094 0.188 0.000 1.039 715 V CA 1.846 64.205 62.300 0.097 0.000 1.016 715 V CB -0.839 31.017 31.823 0.056 0.000 0.650 715 V HN 0.359 nan 8.190 nan 0.000 0.449 716 V N -0.135 119.875 119.914 0.159 0.000 2.392 716 V HA -0.267 3.852 4.120 -0.002 0.000 0.249 716 V C 2.390 178.601 176.094 0.196 0.000 1.059 716 V CA 2.176 64.586 62.300 0.183 0.000 1.051 716 V CB -0.596 31.292 31.823 0.108 0.000 0.658 716 V HN 0.493 nan 8.190 nan 0.000 0.455 717 L N -0.493 120.838 121.223 0.179 0.000 2.056 717 L HA -0.116 4.223 4.340 -0.002 0.000 0.207 717 L C 2.155 179.135 176.870 0.184 0.000 1.078 717 L CA 1.977 56.926 54.840 0.182 0.000 0.749 717 L CB -0.771 41.418 42.059 0.217 0.000 0.901 717 L HN 0.377 nan 8.230 nan 0.000 0.433 718 F N 0.557 120.495 119.950 -0.019 0.000 2.134 718 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 718 F C 2.245 177.968 175.800 -0.128 0.000 1.097 718 F CA 1.937 59.800 58.000 -0.230 0.000 1.264 718 F CB -0.273 38.441 39.000 -0.478 0.000 1.001 718 F HN 0.215 nan 8.300 nan 0.000 0.479 719 E N -0.622 119.471 120.200 -0.178 0.000 2.208 719 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 719 E C 2.056 178.468 176.600 -0.312 0.000 0.988 719 E CA 1.470 57.681 56.400 -0.316 0.000 0.828 719 E CB -0.217 29.466 29.700 -0.028 0.000 0.763 719 E HN 0.389 nan 8.360 nan 0.000 0.478 720 T N 0.704 115.208 114.554 -0.082 0.000 2.857 720 T HA -0.063 4.286 4.350 -0.002 0.000 0.266 720 T C 1.976 176.620 174.700 -0.093 0.000 1.048 720 T CA 1.028 63.101 62.100 -0.045 0.000 1.139 720 T CB -0.065 68.851 68.868 0.080 0.000 0.874 720 T HN 0.209 nan 8.240 nan 0.000 0.455 721 A N 1.160 123.928 122.820 -0.086 0.000 2.015 721 A HA -0.069 4.250 4.320 -0.002 0.000 0.219 721 A C 2.490 179.999 177.584 -0.126 0.000 1.163 721 A CA 1.708 53.714 52.037 -0.051 0.000 0.646 721 A CB -1.077 17.999 19.000 0.126 0.000 0.806 721 A HN 0.433 nan 8.150 nan 0.000 0.448 722 T N 0.603 114.962 114.554 -0.326 0.000 2.708 722 T HA -0.107 4.242 4.350 -0.002 0.000 0.266 722 T C 1.790 176.433 174.700 -0.095 0.000 1.037 722 T CA 1.555 63.476 62.100 -0.298 0.000 1.146 722 T CB -0.369 68.191 68.868 -0.513 0.000 0.865 722 T HN 0.402 nan 8.240 nan 0.000 0.435 723 L N 0.254 121.384 121.223 -0.155 0.000 2.056 723 L HA -0.027 4.313 4.340 -0.002 0.000 0.207 723 L C 2.908 179.754 176.870 -0.041 0.000 1.078 723 L CA 1.226 56.005 54.840 -0.102 0.000 0.749 723 L CB -0.476 41.495 42.059 -0.147 0.000 0.901 723 L HN 0.116 nan 8.230 nan 0.000 0.433 724 R N -0.478 119.996 120.500 -0.043 0.000 2.189 724 R HA -0.037 4.302 4.340 -0.002 0.000 0.218 724 R C 2.148 178.448 176.300 0.001 0.000 1.074 724 R CA 0.993 57.072 56.100 -0.036 0.000 0.991 724 R CB -0.154 30.105 30.300 -0.067 0.000 0.883 724 R HN 0.277 nan 8.270 nan 0.000 0.457 725 S N -0.850 114.908 115.700 0.096 0.000 2.562 725 S HA 0.097 4.566 4.470 -0.002 0.000 0.221 725 S C 1.251 175.999 174.600 0.247 0.000 0.975 725 S CA 0.734 59.128 58.200 0.323 0.000 0.918 725 S CB 0.831 64.365 63.200 0.557 0.000 0.772 725 S HN 0.648 nan 8.310 nan 0.000 0.531 726 G N 0.177 109.018 108.800 0.069 0.000 2.176 726 G HA2 -0.238 3.722 3.960 -0.002 0.000 0.232 726 G HA3 -0.238 3.722 3.960 -0.002 0.000 0.232 726 G C -0.079 174.689 174.900 -0.220 0.000 0.986 726 G CA -0.368 44.665 45.100 -0.111 0.000 0.643 726 G HN 0.490 nan 8.290 nan 0.000 0.522 727 Y N 0.278 120.582 120.300 0.005 0.000 2.316 727 Y HA 0.654 5.203 4.550 -0.001 0.000 0.324 727 Y C 1.421 177.293 175.900 -0.047 0.000 1.267 727 Y CA -0.836 57.259 58.100 -0.009 0.000 1.311 727 Y CB 0.614 39.071 38.460 -0.005 0.000 1.267 727 Y HN 0.095 nan 8.280 nan 0.000 0.516 728 L N 2.601 123.897 121.223 0.123 0.000 2.417 728 L HA 0.157 4.496 4.340 -0.002 0.000 0.268 728 L C -0.514 176.355 176.870 -0.002 0.000 1.158 728 L CA -0.621 54.237 54.840 0.030 0.000 0.819 728 L CB 0.518 42.591 42.059 0.023 0.000 1.112 728 L HN 0.396 nan 8.230 nan 0.000 0.458 729 L N 6.041 127.229 121.223 -0.059 0.000 2.281 729 L HA 0.298 4.637 4.340 -0.002 0.000 0.285 729 L C -1.124 175.716 176.870 -0.050 0.000 1.074 729 L CA -1.148 53.631 54.840 -0.101 0.000 0.817 729 L CB 0.612 42.557 42.059 -0.189 0.000 1.168 729 L HN 0.381 nan 8.230 nan 0.000 0.434 730 P HA -0.134 nan 4.420 nan 0.000 0.213 730 P C -0.301 177.002 177.300 0.004 0.000 1.170 730 P CA 1.054 64.153 63.100 -0.001 0.000 0.902 730 P CB 0.230 31.939 31.700 0.014 0.000 0.789 731 D N -0.741 119.668 120.400 0.015 0.000 2.375 731 D HA 0.108 4.748 4.640 -0.002 0.000 0.259 731 D C 0.904 177.240 176.300 0.060 0.000 1.235 731 D CA -0.195 53.825 54.000 0.033 0.000 0.924 731 D CB 0.573 41.397 40.800 0.040 0.000 1.143 731 D HN -0.029 nan 8.370 nan 0.000 0.529 732 T N 0.725 115.310 114.554 0.052 0.000 3.007 732 T HA -0.149 4.200 4.350 -0.002 0.000 0.270 732 T C 1.639 176.411 174.700 0.120 0.000 1.107 732 T CA 0.875 63.033 62.100 0.097 0.000 1.118 732 T CB 0.178 69.083 68.868 0.062 0.000 0.889 732 T HN 0.171 nan 8.240 nan 0.000 0.506 733 K N 2.235 122.680 120.400 0.076 0.000 2.031 733 K HA 0.305 4.624 4.320 -0.002 0.000 0.205 733 K C 2.430 179.064 176.600 0.058 0.000 1.049 733 K CA 1.365 57.686 56.287 0.056 0.000 0.939 733 K CB -1.028 31.493 32.500 0.036 0.000 0.717 733 K HN 0.327 nan 8.250 nan 0.000 0.438 734 A N -0.266 122.597 122.820 0.071 0.000 1.898 734 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 734 A C 2.230 179.865 177.584 0.086 0.000 1.181 734 A CA 1.474 53.550 52.037 0.065 0.000 0.620 734 A CB -1.036 18.003 19.000 0.066 0.000 0.819 734 A HN 0.554 nan 8.150 nan 0.000 0.442 735 Y N 0.945 121.249 120.300 0.007 0.000 2.181 735 Y HA -0.067 4.482 4.550 -0.002 0.000 0.288 735 Y C 2.346 178.250 175.900 0.006 0.000 1.146 735 Y CA 1.514 59.618 58.100 0.007 0.000 1.164 735 Y CB -0.760 37.700 38.460 0.000 0.000 0.982 735 Y HN 0.202 nan 8.280 nan 0.000 0.515 736 G N -0.442 108.315 108.800 -0.071 0.000 2.448 736 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.219 736 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.219 736 G C 1.162 175.980 174.900 -0.138 0.000 1.127 736 G CA 1.089 46.099 45.100 -0.150 0.000 0.766 736 G HN 0.408 nan 8.290 nan 0.000 0.552 737 D N 0.084 120.436 120.400 -0.081 0.000 2.194 737 D HA 0.027 4.666 4.640 -0.002 0.000 0.204 737 D C 2.610 178.863 176.300 -0.079 0.000 0.964 737 D CA 0.355 54.320 54.000 -0.058 0.000 0.846 737 D CB -0.126 40.661 40.800 -0.022 0.000 0.962 737 D HN 0.213 nan 8.370 nan 0.000 0.490 738 R N 0.125 120.562 120.500 -0.105 0.000 2.148 738 R HA 0.019 4.359 4.340 -0.002 0.000 0.223 738 R C 1.931 178.144 176.300 -0.145 0.000 1.088 738 R CA 0.445 56.487 56.100 -0.097 0.000 0.985 738 R CB 0.105 30.371 30.300 -0.056 0.000 0.880 738 R HN 0.177 nan 8.270 nan 0.000 0.451 739 I N 0.708 121.122 120.570 -0.259 0.000 2.353 739 I HA -0.186 3.983 4.170 -0.002 0.000 0.248 739 I C 2.333 178.373 176.117 -0.128 0.000 1.119 739 I CA 1.214 62.373 61.300 -0.235 0.000 1.417 739 I CB -0.987 36.803 38.000 -0.350 0.000 1.078 739 I HN 0.273 nan 8.210 nan 0.000 0.421 740 E N 1.458 121.590 120.200 -0.113 0.000 2.051 740 E HA -0.274 4.075 4.350 -0.002 0.000 0.192 740 E C 2.532 179.105 176.600 -0.046 0.000 0.991 740 E CA 2.120 58.480 56.400 -0.066 0.000 0.799 740 E CB 0.155 29.823 29.700 -0.053 0.000 0.748 740 E HN 0.436 nan 8.360 nan 0.000 0.449 741 R N 0.888 121.362 120.500 -0.044 0.000 2.091 741 R HA -0.111 4.228 4.340 -0.002 0.000 0.238 741 R C 2.041 178.328 176.300 -0.021 0.000 1.136 741 R CA 1.927 58.012 56.100 -0.026 0.000 0.959 741 R CB -1.297 28.991 30.300 -0.020 0.000 0.856 741 R HN 0.403 nan 8.270 nan 0.000 0.437 742 M N -0.240 119.343 119.600 -0.028 0.000 2.288 742 M HA 0.092 4.571 4.480 -0.002 0.000 0.266 742 M C 2.221 178.512 176.300 -0.016 0.000 1.072 742 M CA 1.330 56.620 55.300 -0.017 0.000 1.132 742 M CB -0.014 32.576 32.600 -0.018 0.000 1.386 742 M HN 0.364 nan 8.290 nan 0.000 0.432 743 L N -0.038 121.169 121.223 -0.027 0.000 2.083 743 L HA -0.206 4.133 4.340 -0.002 0.000 0.209 743 L C 2.507 179.370 176.870 -0.013 0.000 1.083 743 L CA 1.363 56.190 54.840 -0.021 0.000 0.752 743 L CB -0.466 41.576 42.059 -0.028 0.000 0.899 743 L HN 0.297 nan 8.230 nan 0.000 0.433 744 R N -0.450 120.042 120.500 -0.014 0.000 2.189 744 R HA -0.079 4.260 4.340 -0.002 0.000 0.223 744 R C 2.191 178.488 176.300 -0.005 0.000 1.092 744 R CA 0.806 56.901 56.100 -0.009 0.000 0.989 744 R CB -0.195 30.099 30.300 -0.010 0.000 0.876 744 R HN 0.374 nan 8.270 nan 0.000 0.457 745 L N 0.007 121.228 121.223 -0.003 0.000 2.056 745 L HA -0.111 4.228 4.340 -0.002 0.000 0.207 745 L C 1.936 178.806 176.870 0.001 0.000 1.078 745 L CA 1.091 55.931 54.840 0.001 0.000 0.749 745 L CB -0.294 41.767 42.059 0.004 0.000 0.901 745 L HN 0.076 nan 8.230 nan 0.000 0.433 746 S N -0.346 115.354 115.700 0.001 0.000 2.584 746 S HA -0.026 4.443 4.470 -0.002 0.000 0.240 746 S C 1.550 176.151 174.600 0.001 0.000 0.975 746 S CA 1.284 59.485 58.200 0.002 0.000 0.949 746 S CB -0.352 62.849 63.200 0.002 0.000 0.761 746 S HN 0.433 nan 8.310 nan 0.000 0.536 747 L N -0.667 120.556 121.223 -0.001 0.000 2.614 747 L HA 0.634 4.974 4.340 -0.002 0.000 0.185 747 L C 1.576 178.446 176.870 -0.000 0.000 1.098 747 L CA 1.395 56.235 54.840 -0.001 0.000 0.852 747 L CB -1.709 40.349 42.059 -0.002 0.000 1.213 747 L HN 0.491 nan 8.230 nan 0.000 0.491 748 N N -1.550 117.150 118.700 -0.000 0.000 2.460 748 N HA 0.353 5.092 4.740 -0.002 0.000 0.286 748 N C 1.526 177.036 175.510 -0.000 0.000 1.645 748 N CA 0.621 53.671 53.050 0.000 0.000 3.264 748 N CB -1.243 37.244 38.487 0.000 0.000 1.533 748 N HN 2.122 nan 8.380 nan 0.000 1.134 749 I N 2.767 123.336 120.570 -0.001 0.000 3.398 749 I HA 0.283 4.452 4.170 -0.002 0.000 0.341 749 I C 0.572 176.688 176.117 -0.002 0.000 1.242 749 I CA 1.316 62.614 61.300 -0.002 0.000 1.442 749 I CB -1.417 36.581 38.000 -0.003 0.000 1.342 749 I HN 0.733 nan 8.210 nan 0.000 0.488 750 D N 7.931 128.330 120.400 -0.001 0.000 2.660 750 D HA 0.036 4.675 4.640 -0.002 0.000 0.253 750 D C -0.987 175.313 176.300 -0.001 0.000 1.256 750 D CA -1.181 52.819 54.000 -0.000 0.000 0.914 750 D CB 0.808 41.608 40.800 0.000 0.000 1.137 750 D HN 0.494 nan 8.370 nan 0.000 0.542 751 P HA -0.154 nan 4.420 nan 0.000 0.208 751 P C 0.837 178.136 177.300 -0.002 0.000 1.180 751 P CA 1.098 64.197 63.100 -0.002 0.000 0.935 751 P CB 0.249 31.949 31.700 -0.000 0.000 0.785 752 D N -0.709 119.691 120.400 -0.000 0.000 2.075 752 D HA -0.065 4.574 4.640 -0.002 0.000 0.196 752 D C 1.626 177.926 176.300 -0.000 0.000 0.985 752 D CA 1.509 55.509 54.000 0.000 0.000 0.834 752 D CB -1.183 39.618 40.800 0.002 0.000 0.987 752 D HN 0.061 nan 8.370 nan 0.000 0.452 753 A N -0.005 122.815 122.820 0.001 0.000 2.281 753 A HA 0.002 4.321 4.320 -0.002 0.000 0.231 753 A C 1.489 179.073 177.584 -0.000 0.000 1.317 753 A CA 0.552 52.589 52.037 0.001 0.000 0.959 753 A CB -0.129 18.872 19.000 0.001 0.000 0.900 753 A HN -0.035 nan 8.150 nan 0.000 0.497 754 K N -2.059 118.341 120.400 -0.001 0.000 2.556 754 K HA 0.111 4.430 4.320 -0.002 0.000 0.201 754 K C 1.328 177.927 176.600 -0.002 0.000 1.423 754 K CA 0.564 56.850 56.287 -0.001 0.000 1.010 754 K CB -0.367 32.132 32.500 -0.002 0.000 1.409 754 K HN 0.185 nan 8.250 nan 0.000 0.538 755 V N 2.705 122.617 119.914 -0.003 0.000 3.330 755 V HA -0.169 3.950 4.120 -0.002 0.000 0.273 755 V C 1.098 177.191 176.094 -0.002 0.000 1.179 755 V CA 1.765 64.063 62.300 -0.003 0.000 1.174 755 V CB -0.317 31.503 31.823 -0.005 0.000 0.794 755 V HN 0.286 nan 8.190 nan 0.000 0.527 756 E N -0.724 119.475 120.200 -0.001 0.000 2.207 756 E HA -0.031 4.318 4.350 -0.002 0.000 0.197 756 E C 1.865 178.465 176.600 -0.000 0.000 0.914 756 E CA 0.500 56.899 56.400 -0.000 0.000 0.914 756 E CB -0.174 29.526 29.700 0.000 0.000 0.893 756 E HN 0.468 nan 8.360 nan 0.000 0.479 757 E N 2.094 122.294 120.200 -0.000 0.000 2.041 757 E HA -0.275 4.075 4.350 -0.002 0.000 0.227 757 E C 1.919 178.519 176.600 -0.000 0.000 1.039 757 E CA 1.847 58.247 56.400 -0.000 0.000 0.904 757 E CB -0.179 29.521 29.700 -0.000 0.000 0.808 757 E HN 0.058 nan 8.360 nan 0.000 0.510 758 E N -0.587 119.612 120.200 -0.000 0.000 2.110 758 E HA -0.088 4.261 4.350 -0.002 0.000 0.193 758 E C -0.479 176.121 176.600 -0.000 0.000 0.988 758 E CA 1.450 57.850 56.400 -0.000 0.000 0.804 758 E CB -1.495 28.205 29.700 -0.000 0.000 0.745 758 E HN 0.369 nan 8.360 nan 0.000 0.458 759 P HA -0.073 nan 4.420 nan 0.000 0.236 759 P C 0.605 177.905 177.300 0.001 0.000 1.172 759 P CA 0.956 64.056 63.100 0.000 0.000 0.759 759 P CB 0.157 31.856 31.700 -0.000 0.000 0.843 760 E N -0.453 119.747 120.200 0.001 0.000 2.995 760 E HA 0.055 4.404 4.350 -0.002 0.000 0.203 760 E C 0.512 177.112 176.600 0.001 0.000 0.980 760 E CA 0.114 56.514 56.400 0.001 0.000 1.172 760 E CB 0.152 29.852 29.700 0.001 0.000 1.088 760 E HN 0.122 nan 8.360 nan 0.000 0.463 761 E N 0.305 120.505 120.200 0.001 0.000 2.474 761 E HA -0.001 4.348 4.350 -0.002 0.000 0.195 761 E C 0.969 177.569 176.600 0.001 0.000 1.039 761 E CA 0.078 56.478 56.400 0.001 0.000 0.881 761 E CB 0.620 30.321 29.700 0.001 0.000 0.970 761 E HN 0.255 nan 8.360 nan 0.000 0.486 762 E N 0.187 120.388 120.200 0.001 0.000 2.153 762 E HA -0.128 4.221 4.350 -0.002 0.000 0.194 762 E C -0.920 175.681 176.600 0.002 0.000 0.988 762 E CA 0.644 57.045 56.400 0.001 0.000 0.811 762 E CB -1.325 28.376 29.700 0.002 0.000 0.746 762 E HN 0.283 nan 8.360 nan 0.000 0.466 763 P HA -0.121 nan 4.420 nan 0.000 0.227 763 P C 1.138 178.439 177.300 0.001 0.000 1.145 763 P CA 0.981 64.082 63.100 0.002 0.000 0.769 763 P CB 0.077 31.778 31.700 0.001 0.000 0.769 764 E N 0.039 120.240 120.200 0.001 0.000 2.076 764 E HA -0.052 4.297 4.350 -0.002 0.000 0.190 764 E C 0.778 177.379 176.600 0.001 0.000 0.979 764 E CA 0.654 57.055 56.400 0.001 0.000 0.807 764 E CB -0.271 29.430 29.700 0.001 0.000 0.761 764 E HN 0.494 nan 8.360 nan 0.000 0.454 765 E N 0.000 120.201 120.200 0.001 0.000 2.725 765 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 765 E CA 0.000 56.401 56.400 0.002 0.000 0.976 765 E CB 0.000 29.701 29.700 0.002 0.000 0.812 765 E HN 0.000 nan 8.360 nan 0.000 0.440