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 1bxg_1_B DATA FIRST_RESID 401 DATA SEQUENCE SIDSALNWDG EMTVTRFDRM TGAHFVIRLD STQLGPAAGG TRAAQYSQLA DATA SEQUENCE DALTDAGKLA GAMTLKMAVS NLPMGGGKSV IALPAPRHSI DPSTWARILR DATA SEQUENCE IHAENIDKLS GNYWTGPDVN TNSADMDTLN DTTEFVFGRS LERGGAGSSA DATA SEQUENCE FTTAVGVFEA MKATVAHRGL GSLDGLTVLV QGLGAVGGSL ASLAAEAGAQ DATA SEQUENCE LLVADTDTER VAHAVALGHT AVALEDVLST PCDVFAPCAM GGVITTEVAR DATA SEQUENCE TLDCSVVAGA ANNVIADEAA SDILHARGIL YAPDFVANAG GAIHLVGREV DATA SEQUENCE LGWSESVVHE RAVAIGDTLN QVFEISDNDG VTPDEAARTL AGRRARE 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 401 S HA 0.000 nan 4.470 nan 0.000 0.327 401 S C 0.000 174.596 174.600 -0.007 0.000 1.055 401 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 401 S CB 0.000 63.204 63.200 0.007 0.000 0.593 402 I N 0.920 121.488 120.570 -0.003 0.000 2.226 402 I HA -0.128 4.297 4.170 0.425 0.000 0.245 402 I C 2.421 178.545 176.117 0.013 0.000 1.100 402 I CA 2.051 63.350 61.300 -0.002 0.000 1.374 402 I CB -0.550 37.450 38.000 -0.001 0.000 1.057 402 I HN 0.855 nan 8.210 nan 0.000 0.413 403 D N 0.764 121.177 120.400 0.021 0.000 2.108 403 D HA -0.191 4.704 4.640 0.425 0.000 0.190 403 D C 2.238 178.576 176.300 0.063 0.000 0.995 403 D CA 1.807 55.830 54.000 0.038 0.000 0.834 403 D CB 0.024 40.845 40.800 0.036 0.000 0.967 403 D HN 0.072 nan 8.370 nan 0.000 0.446 404 S N -0.775 114.956 115.700 0.052 0.000 2.469 404 S HA -0.071 4.654 4.470 0.425 0.000 0.238 404 S C 1.698 176.304 174.600 0.009 0.000 0.998 404 S CA 0.871 59.106 58.200 0.059 0.000 0.957 404 S CB -0.121 63.092 63.200 0.022 0.000 0.764 404 S HN 0.437 nan 8.310 nan 0.000 0.514 405 A N 1.001 123.818 122.820 -0.004 0.000 1.881 405 A HA 0.295 4.870 4.320 0.425 0.000 0.210 405 A C 1.905 179.492 177.584 0.006 0.000 1.239 405 A CA 0.471 52.482 52.037 -0.043 0.000 0.629 405 A CB -0.368 18.598 19.000 -0.056 0.000 0.906 405 A HN 0.413 nan 8.150 nan 0.000 0.460 406 L N -0.548 120.692 121.223 0.029 0.000 2.253 406 L HA 0.108 4.703 4.340 0.425 0.000 0.205 406 L C 0.717 177.638 176.870 0.086 0.000 1.078 406 L CA 0.473 55.341 54.840 0.046 0.000 0.805 406 L CB -0.338 41.734 42.059 0.021 0.000 0.963 406 L HN 0.207 nan 8.230 nan 0.000 0.459 407 N N -0.301 118.453 118.700 0.090 0.000 2.389 407 N HA -0.015 4.980 4.740 0.425 0.000 0.237 407 N C -0.461 175.140 175.510 0.150 0.000 1.148 407 N CA -0.099 53.006 53.050 0.092 0.000 0.854 407 N CB 0.024 38.544 38.487 0.054 0.000 1.115 407 N HN 0.236 nan 8.380 nan 0.000 0.492 408 W N 2.570 123.857 121.300 -0.021 0.000 2.190 408 W HA 0.039 4.948 4.660 0.415 0.000 0.330 408 W C 0.710 177.217 176.519 -0.020 0.000 1.299 408 W CA -0.502 56.830 57.345 -0.021 0.000 1.215 408 W CB 0.661 30.106 29.460 -0.026 0.000 1.147 408 W HN 0.187 nan 8.180 nan 0.000 0.563 409 D N 2.529 122.614 120.400 -0.526 0.000 2.340 409 D HA 0.184 5.079 4.640 0.425 0.000 0.217 409 D C 1.019 176.800 176.300 -0.865 0.000 1.081 409 D CA -0.205 53.468 54.000 -0.546 0.000 0.842 409 D CB -0.339 40.290 40.800 -0.284 0.000 0.934 409 D HN 0.352 nan 8.370 nan 0.000 0.511 410 G N 0.433 108.128 108.800 -1.841 0.000 2.716 410 G HA2 -0.003 4.212 3.960 0.425 0.000 0.251 410 G HA3 -0.003 4.212 3.960 0.425 0.000 0.251 410 G C 0.608 175.091 174.900 -0.695 0.000 1.224 410 G CA -0.521 43.579 45.100 -1.667 0.000 0.891 410 G HN 0.176 nan 8.290 nan 0.000 0.561 411 E N -0.971 119.023 120.200 -0.344 0.000 2.274 411 E HA 0.031 4.636 4.350 0.425 0.000 0.194 411 E C 0.818 177.400 176.600 -0.030 0.000 0.996 411 E CA 0.656 56.974 56.400 -0.137 0.000 0.840 411 E CB 0.159 29.820 29.700 -0.066 0.000 0.772 411 E HN 0.420 nan 8.360 nan 0.000 0.491 412 M N -0.339 119.310 119.600 0.082 0.000 2.490 412 M HA 0.187 4.922 4.480 0.425 0.000 0.286 412 M C -1.884 174.559 176.300 0.239 0.000 1.185 412 M CA -0.167 55.209 55.300 0.127 0.000 0.912 412 M CB 2.665 35.303 32.600 0.064 0.000 1.744 412 M HN -0.274 nan 8.290 nan 0.000 0.494 413 T N 2.619 117.267 114.554 0.157 0.000 2.881 413 T HA 0.725 5.330 4.350 0.425 0.000 0.290 413 T C -1.602 173.123 174.700 0.042 0.000 1.000 413 T CA -0.534 61.629 62.100 0.105 0.000 0.978 413 T CB 1.907 70.843 68.868 0.113 0.000 0.997 413 T HN 0.460 nan 8.240 nan 0.000 0.443 414 V N 3.779 123.696 119.914 0.006 0.000 2.588 414 V HA 0.783 5.158 4.120 0.425 0.000 0.304 414 V C 0.063 176.176 176.094 0.032 0.000 1.042 414 V CA -0.653 61.655 62.300 0.013 0.000 0.877 414 V CB 2.095 33.915 31.823 -0.005 0.000 0.996 414 V HN 1.134 nan 8.190 nan 0.000 0.425 415 T N 2.645 117.234 114.554 0.059 0.000 2.901 415 T HA 0.897 5.502 4.350 0.425 0.000 0.293 415 T C -0.732 174.053 174.700 0.141 0.000 1.084 415 T CA -0.960 61.207 62.100 0.113 0.000 1.008 415 T CB 2.679 71.611 68.868 0.106 0.000 1.170 415 T HN 0.732 nan 8.240 nan 0.000 0.509 416 R N 0.414 121.060 120.500 0.243 0.000 2.728 416 R HA 0.551 5.146 4.340 0.425 0.000 0.259 416 R C -2.357 174.176 176.300 0.388 0.000 1.057 416 R CA -0.810 55.426 56.100 0.227 0.000 0.908 416 R CB 1.694 32.028 30.300 0.057 0.000 1.259 416 R HN 0.683 nan 8.270 nan 0.000 0.472 417 F N 2.167 122.156 119.950 0.064 0.000 2.551 417 F HA 0.459 5.241 4.527 0.424 0.000 0.316 417 F C -1.262 174.519 175.800 -0.030 0.000 1.089 417 F CA -0.901 57.020 58.000 -0.132 0.000 0.915 417 F CB 1.968 40.801 39.000 -0.278 0.000 1.186 417 F HN 0.549 nan 8.300 nan 0.000 0.456 418 D N 4.510 124.257 120.400 -1.088 0.000 2.462 418 D HA 0.295 5.190 4.640 0.425 0.000 0.245 418 D C 0.888 176.525 176.300 -1.104 0.000 1.122 418 D CA -0.333 53.215 54.000 -0.754 0.000 0.864 418 D CB 1.168 41.834 40.800 -0.224 0.000 1.098 418 D HN 0.654 nan 8.370 nan 0.000 0.541 419 R N 3.136 123.147 120.500 -0.816 0.000 2.105 419 R HA -0.117 4.478 4.340 0.425 0.000 0.239 419 R C 1.921 178.102 176.300 -0.199 0.000 1.135 419 R CA 1.323 57.188 56.100 -0.391 0.000 0.967 419 R CB -0.042 30.263 30.300 0.008 0.000 0.861 419 R HN 0.577 nan 8.270 nan 0.000 0.442 420 M N -0.358 119.134 119.600 -0.180 0.000 2.106 420 M HA -0.193 4.542 4.480 0.425 0.000 0.259 420 M C 1.803 178.058 176.300 -0.075 0.000 1.068 420 M CA 2.461 57.703 55.300 -0.096 0.000 1.100 420 M CB 0.042 32.593 32.600 -0.081 0.000 1.351 420 M HN 0.310 nan 8.290 nan 0.000 0.404 421 T N -4.614 109.873 114.554 -0.112 0.000 3.001 421 T HA 0.356 4.961 4.350 0.425 0.000 0.251 421 T C 1.307 175.971 174.700 -0.060 0.000 1.040 421 T CA 0.517 62.581 62.100 -0.061 0.000 0.985 421 T CB 0.334 69.178 68.868 -0.039 0.000 1.011 421 T HN 0.616 nan 8.240 nan 0.000 0.509 422 G N 1.504 110.221 108.800 -0.138 0.000 2.155 422 G HA2 -0.058 4.157 3.960 0.425 0.000 0.257 422 G HA3 -0.058 4.157 3.960 0.425 0.000 0.257 422 G C 0.273 175.217 174.900 0.073 0.000 0.983 422 G CA 0.074 45.188 45.100 0.023 0.000 0.676 422 G HN 1.240 nan 8.290 nan 0.000 0.528 423 A N 0.194 122.931 122.820 -0.139 0.000 2.304 423 A HA 0.738 5.313 4.320 0.425 0.000 0.301 423 A C 0.084 177.495 177.584 -0.289 0.000 1.132 423 A CA -0.447 51.482 52.037 -0.181 0.000 0.819 423 A CB 0.609 19.407 19.000 -0.337 0.000 1.094 423 A HN 0.440 nan 8.150 nan 0.000 0.492 424 H N 0.338 119.280 119.070 -0.212 0.000 2.492 424 H HA 0.522 5.332 4.556 0.424 0.000 0.345 424 H C -1.565 173.474 175.328 -0.480 0.000 1.136 424 H CA 0.043 56.037 56.048 -0.090 0.000 1.202 424 H CB 1.469 31.246 29.762 0.026 0.000 1.524 424 H HN 0.535 nan 8.280 nan 0.000 0.506 425 F N 1.401 121.421 119.950 0.117 0.000 2.493 425 F HA 0.371 5.151 4.527 0.421 0.000 0.329 425 F C -0.109 175.696 175.800 0.008 0.000 1.126 425 F CA -0.791 57.217 58.000 0.012 0.000 0.937 425 F CB 1.591 40.591 39.000 0.001 0.000 1.146 425 F HN 0.063 nan 8.300 nan 0.000 0.442 426 V N 4.792 124.762 119.914 0.092 0.000 2.588 426 V HA 0.535 4.910 4.120 0.425 0.000 0.304 426 V C -0.387 175.693 176.094 -0.023 0.000 1.042 426 V CA -0.765 61.533 62.300 -0.003 0.000 0.877 426 V CB 2.234 33.981 31.823 -0.127 0.000 0.996 426 V HN 0.597 nan 8.190 nan 0.000 0.425 427 I N 4.724 125.262 120.570 -0.054 0.000 2.468 427 I HA 0.530 4.955 4.170 0.425 0.000 0.284 427 I C -0.236 175.769 176.117 -0.186 0.000 1.038 427 I CA -0.461 60.750 61.300 -0.147 0.000 1.083 427 I CB 1.803 39.690 38.000 -0.188 0.000 1.223 427 I HN 0.458 nan 8.210 nan 0.000 0.443 428 R N 6.522 126.879 120.500 -0.239 0.000 2.387 428 R HA 0.660 5.255 4.340 0.425 0.000 0.314 428 R C -1.167 175.116 176.300 -0.029 0.000 0.958 428 R CA -0.769 55.220 56.100 -0.186 0.000 0.846 428 R CB 2.058 32.026 30.300 -0.554 0.000 1.147 428 R HN 0.514 nan 8.270 nan 0.000 0.447 429 L N 3.070 124.403 121.223 0.183 0.000 2.276 429 L HA 0.218 4.813 4.340 0.425 0.000 0.286 429 L C 0.574 177.653 176.870 0.347 0.000 1.024 429 L CA -0.265 54.687 54.840 0.187 0.000 0.826 429 L CB 1.560 43.677 42.059 0.096 0.000 1.211 429 L HN 0.716 nan 8.230 nan 0.000 0.422 430 D N 1.411 122.007 120.400 0.328 0.000 2.144 430 D HA -0.070 4.825 4.640 0.425 0.000 0.207 430 D C 0.599 176.898 176.300 -0.002 0.000 0.970 430 D CA 0.687 54.796 54.000 0.182 0.000 0.853 430 D CB 0.632 41.591 40.800 0.265 0.000 1.007 430 D HN 0.395 nan 8.370 nan 0.000 0.469 431 S N -2.073 113.659 115.700 0.052 0.000 2.536 431 S HA 0.430 5.155 4.470 0.425 0.000 0.271 431 S C -0.294 174.337 174.600 0.052 0.000 1.134 431 S CA -0.413 57.799 58.200 0.020 0.000 0.897 431 S CB 1.618 64.823 63.200 0.008 0.000 1.094 431 S HN 0.154 nan 8.310 nan 0.000 0.473 432 T N 1.443 116.018 114.554 0.036 0.000 3.200 432 T HA 0.158 4.763 4.350 0.425 0.000 0.284 432 T C 1.274 175.991 174.700 0.028 0.000 1.009 432 T CA 0.076 62.205 62.100 0.048 0.000 0.907 432 T CB 0.455 69.350 68.868 0.045 0.000 1.120 432 T HN 0.554 nan 8.240 nan 0.000 0.534 433 Q N 2.142 121.952 119.800 0.016 0.000 2.030 433 Q HA 0.040 4.635 4.340 0.425 0.000 0.204 433 Q C 1.649 177.655 176.000 0.010 0.000 0.986 433 Q CA 1.733 57.540 55.803 0.007 0.000 0.843 433 Q CB -0.707 28.029 28.738 -0.003 0.000 0.904 433 Q HN 0.612 nan 8.270 nan 0.000 0.420 434 L N -0.289 120.944 121.223 0.015 0.000 2.591 434 L HA 0.398 4.993 4.340 0.425 0.000 0.228 434 L C 0.617 177.492 176.870 0.009 0.000 1.133 434 L CA 0.050 54.897 54.840 0.012 0.000 0.880 434 L CB 0.109 42.177 42.059 0.014 0.000 1.033 434 L HN 0.445 nan 8.230 nan 0.000 0.450 435 G N -1.001 107.811 108.800 0.019 0.000 2.356 435 G HA2 0.074 4.289 3.960 0.425 0.000 0.300 435 G HA3 0.074 4.289 3.960 0.425 0.000 0.300 435 G C -3.167 171.765 174.900 0.053 0.000 1.331 435 G CA -1.078 44.034 45.100 0.020 0.000 0.905 435 G HN -0.324 nan 8.290 nan 0.000 0.587 436 P HA 0.419 nan 4.420 nan 0.000 0.268 436 P C 0.304 177.707 177.300 0.172 0.000 1.208 436 P CA 0.560 63.741 63.100 0.135 0.000 0.777 436 P CB 0.551 32.380 31.700 0.215 0.000 0.875 437 A N 1.455 124.417 122.820 0.236 0.000 2.351 437 A HA 0.605 5.180 4.320 0.425 0.000 0.257 437 A C -0.024 177.775 177.584 0.358 0.000 1.087 437 A CA 0.185 52.403 52.037 0.301 0.000 0.798 437 A CB -0.178 19.023 19.000 0.335 0.000 1.033 437 A HN 0.604 nan 8.150 nan 0.000 0.488 438 A N 0.436 123.454 122.820 0.330 0.000 2.520 438 A HA 0.877 5.452 4.320 0.425 0.000 0.298 438 A C -0.193 177.599 177.584 0.346 0.000 1.051 438 A CA 0.094 52.285 52.037 0.257 0.000 0.690 438 A CB 1.516 20.693 19.000 0.295 0.000 1.281 438 A HN 2.457 nan 8.150 nan 0.000 0.402 439 G N -0.173 108.845 108.800 0.364 0.000 2.519 439 G HA2 0.634 4.849 3.960 0.425 0.000 0.292 439 G HA3 0.634 4.849 3.960 0.425 0.000 0.292 439 G C 0.014 175.121 174.900 0.345 0.000 1.507 439 G CA 0.281 45.598 45.100 0.362 0.000 0.806 439 G HN 1.454 nan 8.290 nan 0.000 0.523 440 G N -0.902 108.062 108.800 0.274 0.000 2.527 440 G HA2 0.479 4.694 3.960 0.425 0.000 0.279 440 G HA3 0.479 4.694 3.960 0.425 0.000 0.279 440 G C -0.293 174.780 174.900 0.288 0.000 1.374 440 G CA 0.394 45.645 45.100 0.252 0.000 1.053 440 G HN 0.899 nan 8.290 nan 0.000 0.539 441 T N -0.041 114.664 114.554 0.251 0.000 2.985 441 T HA 0.389 4.994 4.350 0.425 0.000 0.315 441 T C -0.137 174.669 174.700 0.176 0.000 1.001 441 T CA -0.446 61.801 62.100 0.244 0.000 1.016 441 T CB 1.025 70.074 68.868 0.301 0.000 0.993 441 T HN 0.552 nan 8.240 nan 0.000 0.454 442 R N 2.447 123.030 120.500 0.139 0.000 2.312 442 R HA 0.747 5.342 4.340 0.425 0.000 0.311 442 R C -0.768 175.610 176.300 0.130 0.000 1.004 442 R CA -0.433 55.748 56.100 0.136 0.000 0.902 442 R CB 0.609 30.992 30.300 0.137 0.000 1.073 442 R HN 0.645 nan 8.270 nan 0.000 0.457 443 A N 3.135 126.045 122.820 0.151 0.000 2.330 443 A HA 0.822 5.397 4.320 0.425 0.000 0.313 443 A C -1.226 176.435 177.584 0.128 0.000 1.124 443 A CA -0.229 51.903 52.037 0.159 0.000 0.774 443 A CB 1.587 20.757 19.000 0.283 0.000 1.198 443 A HN 0.923 nan 8.150 nan 0.000 0.465 444 A N 1.873 124.778 122.820 0.142 0.000 2.566 444 A HA 0.678 5.253 4.320 0.425 0.000 0.290 444 A C -1.145 176.452 177.584 0.022 0.000 1.071 444 A CA -0.545 51.505 52.037 0.021 0.000 0.658 444 A CB 0.738 19.688 19.000 -0.082 0.000 1.285 444 A HN 0.755 nan 8.150 nan 0.000 0.427 445 Q N 0.152 119.881 119.800 -0.117 0.000 2.256 445 Q HA 0.533 5.128 4.340 0.425 0.000 0.254 445 Q C -1.706 174.152 176.000 -0.236 0.000 0.916 445 Q CA 0.024 55.787 55.803 -0.068 0.000 0.932 445 Q CB 1.021 29.711 28.738 -0.081 0.000 1.207 445 Q HN 0.599 nan 8.270 nan 0.000 0.426 446 Y N -0.020 120.261 120.300 -0.032 0.000 2.468 446 Y HA 0.150 4.954 4.550 0.424 0.000 0.342 446 Y C 1.235 177.114 175.900 -0.035 0.000 1.021 446 Y CA -0.500 57.578 58.100 -0.036 0.000 1.079 446 Y CB 1.987 40.415 38.460 -0.052 0.000 1.226 446 Y HN 0.649 nan 8.280 nan 0.000 0.460 447 S N 0.444 116.194 115.700 0.082 0.000 2.368 447 S HA -0.116 4.609 4.470 0.425 0.000 0.225 447 S C 0.191 174.814 174.600 0.038 0.000 1.030 447 S CA 1.237 59.460 58.200 0.039 0.000 0.999 447 S CB -0.082 63.129 63.200 0.020 0.000 0.844 447 S HN 0.638 nan 8.310 nan 0.000 0.459 448 Q N -1.159 118.672 119.800 0.051 0.000 2.501 448 Q HA 0.360 4.955 4.340 0.425 0.000 0.288 448 Q C 0.019 175.996 176.000 -0.039 0.000 1.051 448 Q CA -0.713 55.088 55.803 -0.004 0.000 0.788 448 Q CB 1.468 30.195 28.738 -0.018 0.000 1.469 448 Q HN 0.002 nan 8.270 nan 0.000 0.416 449 L N 1.502 122.650 121.223 -0.125 0.000 2.012 449 L HA -0.167 4.428 4.340 0.425 0.000 0.210 449 L C 2.015 178.770 176.870 -0.191 0.000 1.073 449 L CA 2.700 57.408 54.840 -0.219 0.000 0.748 449 L CB -0.971 40.907 42.059 -0.302 0.000 0.891 449 L HN 0.928 nan 8.230 nan 0.000 0.431 450 A N -1.044 121.698 122.820 -0.130 0.000 1.986 450 A HA -0.241 4.334 4.320 0.425 0.000 0.220 450 A C 1.933 179.456 177.584 -0.102 0.000 1.171 450 A CA 1.957 53.929 52.037 -0.107 0.000 0.640 450 A CB -0.696 18.264 19.000 -0.067 0.000 0.811 450 A HN 0.547 nan 8.150 nan 0.000 0.451 451 D N -0.117 120.247 120.400 -0.059 0.000 2.224 451 D HA 0.023 4.918 4.640 0.425 0.000 0.205 451 D C 2.157 178.379 176.300 -0.130 0.000 0.965 451 D CA 1.246 55.256 54.000 0.017 0.000 0.852 451 D CB -0.262 40.659 40.800 0.201 0.000 0.947 451 D HN 0.475 nan 8.370 nan 0.000 0.494 452 A N 0.806 123.372 122.820 -0.423 0.000 1.872 452 A HA -0.057 4.518 4.320 0.425 0.000 0.214 452 A C 2.362 179.648 177.584 -0.498 0.000 1.187 452 A CA 0.643 52.147 52.037 -0.889 0.000 0.614 452 A CB -0.735 17.735 19.000 -0.883 0.000 0.826 452 A HN 0.141 nan 8.150 nan 0.000 0.442 453 L N -0.456 120.563 121.223 -0.340 0.000 2.046 453 L HA -0.176 4.419 4.340 0.425 0.000 0.208 453 L C 2.797 179.483 176.870 -0.306 0.000 1.077 453 L CA 1.777 56.439 54.840 -0.296 0.000 0.747 453 L CB -1.010 40.918 42.059 -0.218 0.000 0.896 453 L HN 0.341 nan 8.230 nan 0.000 0.432 454 T N -1.047 113.377 114.554 -0.218 0.000 2.652 454 T HA -0.249 4.356 4.350 0.425 0.000 0.267 454 T C 1.566 176.160 174.700 -0.177 0.000 1.039 454 T CA 1.801 63.800 62.100 -0.168 0.000 1.153 454 T CB -0.328 68.495 68.868 -0.075 0.000 0.863 454 T HN 0.295 nan 8.240 nan 0.000 0.428 455 D N 0.966 121.288 120.400 -0.130 0.000 2.116 455 D HA -0.072 4.823 4.640 0.425 0.000 0.193 455 D C 2.293 178.514 176.300 -0.132 0.000 0.998 455 D CA 1.396 55.356 54.000 -0.067 0.000 0.836 455 D CB -0.492 40.330 40.800 0.037 0.000 0.951 455 D HN 0.357 nan 8.370 nan 0.000 0.449 456 A N 0.037 122.717 122.820 -0.233 0.000 1.940 456 A HA -0.060 4.515 4.320 0.425 0.000 0.219 456 A C 2.344 179.702 177.584 -0.377 0.000 1.176 456 A CA 2.303 54.180 52.037 -0.267 0.000 0.631 456 A CB -1.148 17.653 19.000 -0.331 0.000 0.814 456 A HN 0.358 nan 8.150 nan 0.000 0.446 457 G N -0.599 107.852 108.800 -0.580 0.000 2.414 457 G HA2 -0.199 4.016 3.960 0.425 0.000 0.215 457 G HA3 -0.199 4.016 3.960 0.425 0.000 0.215 457 G C 1.698 176.464 174.900 -0.223 0.000 1.188 457 G CA 1.056 45.632 45.100 -0.872 0.000 0.783 457 G HN 0.549 nan 8.290 nan 0.000 0.537 458 K N -0.215 120.116 120.400 -0.115 0.000 2.097 458 K HA 0.093 4.668 4.320 0.425 0.000 0.206 458 K C 2.532 179.152 176.600 0.033 0.000 1.049 458 K CA 0.660 56.956 56.287 0.013 0.000 0.933 458 K CB -0.246 32.261 32.500 0.013 0.000 0.717 458 K HN 0.244 nan 8.250 nan 0.000 0.442 459 L N 0.342 121.570 121.223 0.008 0.000 2.017 459 L HA -0.178 4.417 4.340 0.425 0.000 0.208 459 L C 2.545 179.455 176.870 0.068 0.000 1.073 459 L CA 1.252 56.118 54.840 0.044 0.000 0.745 459 L CB -0.616 41.470 42.059 0.045 0.000 0.894 459 L HN 0.184 nan 8.230 nan 0.000 0.432 460 A N 0.420 123.273 122.820 0.055 0.000 1.948 460 A HA -0.210 4.364 4.320 0.425 0.000 0.220 460 A C 2.394 180.078 177.584 0.166 0.000 1.177 460 A CA 2.043 54.157 52.037 0.128 0.000 0.636 460 A CB -1.396 17.695 19.000 0.152 0.000 0.815 460 A HN 0.483 nan 8.150 nan 0.000 0.449 461 G N -0.764 108.136 108.800 0.167 0.000 2.404 461 G HA2 0.022 4.237 3.960 0.425 0.000 0.215 461 G HA3 0.022 4.237 3.960 0.425 0.000 0.215 461 G C 1.782 176.681 174.900 -0.001 0.000 1.174 461 G CA 1.432 46.596 45.100 0.106 0.000 0.780 461 G HN 0.852 nan 8.290 nan 0.000 0.537 462 A N 0.688 123.509 122.820 0.002 0.000 1.908 462 A HA -0.066 4.509 4.320 0.425 0.000 0.218 462 A C 2.459 180.061 177.584 0.029 0.000 1.181 462 A CA 2.190 54.210 52.037 -0.029 0.000 0.627 462 A CB -0.372 18.662 19.000 0.057 0.000 0.818 462 A HN 0.298 nan 8.150 nan 0.000 0.445 463 M N -0.559 119.091 119.600 0.083 0.000 2.080 463 M HA -0.120 4.615 4.480 0.425 0.000 0.260 463 M C 2.248 178.608 176.300 0.100 0.000 1.068 463 M CA 2.160 57.531 55.300 0.118 0.000 1.109 463 M CB -2.155 30.537 32.600 0.154 0.000 1.342 463 M HN 0.431 nan 8.290 nan 0.000 0.405 464 T N 1.675 116.273 114.554 0.075 0.000 2.652 464 T HA -0.090 4.515 4.350 0.425 0.000 0.267 464 T C 2.075 176.792 174.700 0.029 0.000 1.039 464 T CA 1.196 63.328 62.100 0.054 0.000 1.153 464 T CB -0.290 68.601 68.868 0.037 0.000 0.863 464 T HN 0.294 nan 8.240 nan 0.000 0.428 465 L N 0.638 121.838 121.223 -0.039 0.000 2.027 465 L HA -0.083 4.512 4.340 0.425 0.000 0.206 465 L C 2.684 179.654 176.870 0.166 0.000 1.074 465 L CA 1.434 56.241 54.840 -0.056 0.000 0.745 465 L CB -0.548 41.193 42.059 -0.531 0.000 0.898 465 L HN 0.246 nan 8.230 nan 0.000 0.433 466 K N -0.029 120.491 120.400 0.200 0.000 2.044 466 K HA -0.232 4.343 4.320 0.425 0.000 0.210 466 K C 2.254 178.954 176.600 0.167 0.000 1.049 466 K CA 1.561 58.014 56.287 0.277 0.000 0.927 466 K CB 0.018 32.648 32.500 0.216 0.000 0.713 466 K HN 0.109 nan 8.250 nan 0.000 0.443 467 M N 0.296 119.969 119.600 0.121 0.000 2.175 467 M HA -0.078 4.657 4.480 0.425 0.000 0.264 467 M C 2.386 178.731 176.300 0.074 0.000 1.063 467 M CA 1.630 56.981 55.300 0.086 0.000 1.119 467 M CB -1.040 31.606 32.600 0.076 0.000 1.377 467 M HN 0.341 nan 8.290 nan 0.000 0.415 468 A N -0.704 122.165 122.820 0.082 0.000 1.897 468 A HA -0.064 4.511 4.320 0.425 0.000 0.215 468 A C 2.349 179.980 177.584 0.078 0.000 1.181 468 A CA 1.487 53.565 52.037 0.069 0.000 0.620 468 A CB -1.012 18.027 19.000 0.064 0.000 0.821 468 A HN 0.281 nan 8.150 nan 0.000 0.443 469 V N 0.241 120.227 119.914 0.119 0.000 2.970 469 V HA -0.082 4.293 4.120 0.425 0.000 0.260 469 V C 1.765 177.888 176.094 0.047 0.000 1.100 469 V CA 2.168 64.525 62.300 0.094 0.000 1.122 469 V CB -0.203 31.706 31.823 0.143 0.000 0.721 469 V HN 0.522 nan 8.190 nan 0.000 0.483 470 S N 0.336 116.073 115.700 0.060 0.000 2.540 470 S HA 0.196 4.921 4.470 0.425 0.000 0.218 470 S C 0.638 175.276 174.600 0.063 0.000 0.977 470 S CA -0.036 58.194 58.200 0.051 0.000 0.918 470 S CB -0.070 63.167 63.200 0.062 0.000 0.806 470 S HN 0.710 nan 8.310 nan 0.000 0.496 471 N N 1.297 120.029 118.700 0.054 0.000 2.783 471 N HA -0.117 4.878 4.740 0.425 0.000 0.247 471 N C -1.038 174.496 175.510 0.041 0.000 1.089 471 N CA 0.423 53.505 53.050 0.052 0.000 0.690 471 N CB -1.521 37.004 38.487 0.063 0.000 0.991 471 N HN 0.417 nan 8.380 nan 0.000 0.552 472 L N 0.980 122.213 121.223 0.017 0.000 2.322 472 L HA 0.437 5.032 4.340 0.425 0.000 0.279 472 L C -1.390 175.458 176.870 -0.038 0.000 1.036 472 L CA -1.595 53.224 54.840 -0.036 0.000 0.807 472 L CB 1.374 43.408 42.059 -0.042 0.000 1.226 472 L HN -0.140 nan 8.230 nan 0.000 0.433 473 P HA 0.157 nan 4.420 nan 0.000 0.220 473 P C -0.844 176.426 177.300 -0.049 0.000 1.778 473 P CA 0.293 63.356 63.100 -0.061 0.000 0.912 473 P CB 0.154 31.798 31.700 -0.094 0.000 1.861 474 M N -0.672 118.919 119.600 -0.015 0.000 2.683 474 M HA 0.497 5.232 4.480 0.425 0.000 0.274 474 M C 0.451 176.781 176.300 0.050 0.000 1.272 474 M CA -0.609 54.700 55.300 0.015 0.000 0.833 474 M CB 2.109 34.726 32.600 0.028 0.000 1.708 474 M HN -0.074 nan 8.290 nan 0.000 0.463 475 G N -0.309 108.540 108.800 0.081 0.000 2.557 475 G HA2 0.713 4.928 3.960 0.425 0.000 0.302 475 G HA3 0.713 4.928 3.960 0.425 0.000 0.302 475 G C -0.542 174.438 174.900 0.134 0.000 1.311 475 G CA -0.580 44.577 45.100 0.094 0.000 1.030 475 G HN 0.796 nan 8.290 nan 0.000 0.509 476 G N -1.522 107.359 108.800 0.135 0.000 2.372 476 G HA2 0.662 4.877 3.960 0.425 0.000 0.323 476 G HA3 0.662 4.877 3.960 0.425 0.000 0.323 476 G C -0.255 174.768 174.900 0.205 0.000 1.152 476 G CA 0.158 45.357 45.100 0.164 0.000 0.906 476 G HN 1.025 nan 8.290 nan 0.000 0.460 477 G N 0.182 109.134 108.800 0.253 0.000 2.684 477 G HA2 0.656 4.871 3.960 0.425 0.000 0.290 477 G HA3 0.656 4.871 3.960 0.425 0.000 0.290 477 G C -1.739 173.287 174.900 0.211 0.000 1.425 477 G CA -0.759 44.475 45.100 0.223 0.000 0.822 477 G HN 0.672 nan 8.290 nan 0.000 0.482 478 K N -0.716 119.688 120.400 0.007 0.000 2.562 478 K HA 0.699 5.274 4.320 0.425 0.000 0.267 478 K C -1.197 175.364 176.600 -0.065 0.000 0.938 478 K CA -0.456 55.863 56.287 0.054 0.000 0.840 478 K CB 2.131 34.665 32.500 0.057 0.000 1.390 478 K HN 0.532 nan 8.250 nan 0.000 0.428 479 S N 1.162 116.915 115.700 0.088 0.000 2.519 479 S HA 0.652 5.377 4.470 0.425 0.000 0.309 479 S C -1.350 173.269 174.600 0.031 0.000 1.100 479 S CA -0.697 57.553 58.200 0.083 0.000 1.059 479 S CB 1.464 64.862 63.200 0.330 0.000 1.008 479 S HN 0.275 nan 8.310 nan 0.000 0.478 480 V N 4.653 124.534 119.914 -0.054 0.000 2.495 480 V HA 0.534 4.909 4.120 0.425 0.000 0.298 480 V C -0.608 175.400 176.094 -0.144 0.000 1.031 480 V CA -0.614 61.635 62.300 -0.086 0.000 0.871 480 V CB 1.674 33.383 31.823 -0.188 0.000 0.988 480 V HN 0.794 nan 8.190 nan 0.000 0.432 481 I N 4.001 124.496 120.570 -0.124 0.000 2.354 481 I HA 0.532 4.957 4.170 0.425 0.000 0.286 481 I C 0.514 176.573 176.117 -0.096 0.000 1.007 481 I CA -0.555 60.604 61.300 -0.234 0.000 1.167 481 I CB 1.657 39.497 38.000 -0.268 0.000 1.320 481 I HN 0.671 nan 8.210 nan 0.000 0.458 482 A N 8.433 131.172 122.820 -0.135 0.000 2.437 482 A HA 0.533 5.108 4.320 0.425 0.000 0.303 482 A C -0.006 177.590 177.584 0.021 0.000 1.324 482 A CA -0.325 51.734 52.037 0.036 0.000 0.983 482 A CB -0.222 18.776 19.000 -0.004 0.000 1.142 482 A HN 0.708 nan 8.150 nan 0.000 0.541 483 L N 4.281 125.542 121.223 0.063 0.000 2.397 483 L HA 0.258 4.853 4.340 0.425 0.000 0.271 483 L C -1.099 175.800 176.870 0.048 0.000 1.148 483 L CA -1.609 53.252 54.840 0.036 0.000 0.825 483 L CB 0.782 42.868 42.059 0.044 0.000 1.117 483 L HN 0.490 nan 8.230 nan 0.000 0.456 484 P HA 0.036 nan 4.420 nan 0.000 0.227 484 P C -0.035 177.279 177.300 0.023 0.000 1.161 484 P CA 0.674 63.805 63.100 0.052 0.000 0.788 484 P CB 0.517 32.248 31.700 0.052 0.000 0.822 485 A N -0.833 121.986 122.820 -0.001 0.000 2.594 485 A HA 0.658 5.233 4.320 0.425 0.000 0.291 485 A C -3.006 174.514 177.584 -0.107 0.000 1.105 485 A CA -1.945 50.066 52.037 -0.044 0.000 0.694 485 A CB 0.465 19.442 19.000 -0.037 0.000 1.291 485 A HN -0.251 nan 8.150 nan 0.000 0.410 486 P HA 0.032 nan 4.420 nan 0.000 0.264 486 P C 0.710 177.751 177.300 -0.431 0.000 1.179 486 P CA 0.148 63.017 63.100 -0.385 0.000 0.763 486 P CB 0.521 31.807 31.700 -0.691 0.000 0.806 487 R N 4.481 124.769 120.500 -0.354 0.000 2.103 487 R HA -0.248 4.347 4.340 0.425 0.000 0.242 487 R C 1.938 178.048 176.300 -0.317 0.000 1.142 487 R CA 2.559 58.484 56.100 -0.291 0.000 0.960 487 R CB -1.744 28.418 30.300 -0.230 0.000 0.858 487 R HN 0.688 nan 8.270 nan 0.000 0.439 488 H N -1.848 117.138 119.070 -0.140 0.000 2.521 488 H HA 0.190 5.001 4.556 0.425 0.000 0.286 488 H C 1.406 176.677 175.328 -0.095 0.000 1.034 488 H CA 1.346 57.316 56.048 -0.129 0.000 1.278 488 H CB -0.265 29.441 29.762 -0.093 0.000 1.386 488 H HN 0.140 nan 8.280 nan 0.000 0.567 489 S N 0.107 115.705 115.700 -0.170 0.000 2.470 489 S HA 0.163 4.888 4.470 0.425 0.000 0.222 489 S C 0.619 175.195 174.600 -0.040 0.000 1.024 489 S CA -0.248 57.926 58.200 -0.043 0.000 0.931 489 S CB -0.006 63.156 63.200 -0.064 0.000 0.791 489 S HN 0.167 nan 8.310 nan 0.000 0.513 490 I N 3.704 124.230 120.570 -0.073 0.000 2.752 490 I HA -0.044 4.381 4.170 0.425 0.000 0.289 490 I C 0.435 176.565 176.117 0.022 0.000 1.197 490 I CA -0.165 61.137 61.300 0.003 0.000 1.432 490 I CB 0.048 38.086 38.000 0.064 0.000 1.359 490 I HN 0.229 nan 8.210 nan 0.000 0.571 491 D N 8.107 128.544 120.400 0.062 0.000 2.345 491 D HA 0.164 5.059 4.640 0.425 0.000 0.247 491 D C -1.796 174.582 176.300 0.130 0.000 1.108 491 D CA -1.361 52.680 54.000 0.068 0.000 0.894 491 D CB 0.927 41.758 40.800 0.053 0.000 1.203 491 D HN 0.202 nan 8.370 nan 0.000 0.430 492 P HA -0.269 nan 4.420 nan 0.000 0.219 492 P C 1.269 178.683 177.300 0.190 0.000 1.161 492 P CA 1.252 64.450 63.100 0.164 0.000 0.909 492 P CB -0.002 31.758 31.700 0.099 0.000 0.793 493 S N -1.728 114.043 115.700 0.119 0.000 2.399 493 S HA -0.096 4.629 4.470 0.425 0.000 0.231 493 S C 1.823 176.475 174.600 0.087 0.000 1.022 493 S CA 1.732 59.984 58.200 0.086 0.000 0.983 493 S CB -0.883 62.349 63.200 0.054 0.000 0.803 493 S HN 0.299 nan 8.310 nan 0.000 0.480 494 T N 0.571 115.197 114.554 0.120 0.000 2.894 494 T HA -0.043 4.562 4.350 0.425 0.000 0.258 494 T C 1.369 176.159 174.700 0.151 0.000 1.043 494 T CA 0.515 62.681 62.100 0.110 0.000 1.141 494 T CB -0.297 68.639 68.868 0.114 0.000 0.873 494 T HN 0.607 nan 8.240 nan 0.000 0.449 495 W N 2.297 123.607 121.300 0.017 0.000 2.317 495 W HA -0.248 4.666 4.660 0.423 0.000 0.318 495 W C 2.455 179.000 176.519 0.042 0.000 1.227 495 W CA 1.406 58.766 57.345 0.026 0.000 1.269 495 W CB -0.375 29.099 29.460 0.022 0.000 1.155 495 W HN 0.289 nan 8.180 nan 0.000 0.484 496 A N 0.761 123.567 122.820 -0.022 0.000 1.940 496 A HA -0.250 4.325 4.320 0.425 0.000 0.219 496 A C 2.026 179.530 177.584 -0.133 0.000 1.176 496 A CA 1.985 53.952 52.037 -0.116 0.000 0.631 496 A CB -1.007 18.002 19.000 0.015 0.000 0.814 496 A HN 0.468 nan 8.150 nan 0.000 0.446 497 R N -0.271 120.185 120.500 -0.073 0.000 2.066 497 R HA -0.028 4.567 4.340 0.425 0.000 0.232 497 R C 1.966 178.222 176.300 -0.074 0.000 1.131 497 R CA 1.581 57.644 56.100 -0.062 0.000 0.955 497 R CB -0.381 29.902 30.300 -0.027 0.000 0.851 497 R HN 0.527 nan 8.270 nan 0.000 0.432 498 I N 0.955 121.482 120.570 -0.073 0.000 2.163 498 I HA -0.336 4.089 4.170 0.425 0.000 0.243 498 I C 2.251 178.334 176.117 -0.056 0.000 1.085 498 I CA 1.349 62.655 61.300 0.010 0.000 1.347 498 I CB -0.286 37.642 38.000 -0.120 0.000 1.044 498 I HN 0.302 nan 8.210 nan 0.000 0.408 499 L N 0.179 121.210 121.223 -0.319 0.000 2.046 499 L HA -0.229 4.366 4.340 0.425 0.000 0.208 499 L C 2.815 179.621 176.870 -0.107 0.000 1.077 499 L CA 1.279 55.962 54.840 -0.262 0.000 0.747 499 L CB -0.609 41.205 42.059 -0.409 0.000 0.896 499 L HN 0.275 nan 8.230 nan 0.000 0.432 500 R N 0.777 121.201 120.500 -0.126 0.000 2.083 500 R HA -0.198 4.397 4.340 0.425 0.000 0.237 500 R C 2.252 178.472 176.300 -0.133 0.000 1.137 500 R CA 1.677 57.710 56.100 -0.111 0.000 0.951 500 R CB -0.254 29.986 30.300 -0.100 0.000 0.851 500 R HN 0.315 nan 8.270 nan 0.000 0.434 501 I N -0.187 120.280 120.570 -0.172 0.000 2.202 501 I HA -0.270 4.155 4.170 0.425 0.000 0.242 501 I C 2.508 178.419 176.117 -0.343 0.000 1.091 501 I CA 1.399 62.509 61.300 -0.317 0.000 1.368 501 I CB -0.578 37.123 38.000 -0.499 0.000 1.058 501 I HN 0.342 nan 8.210 nan 0.000 0.410 502 H N 1.632 120.479 119.070 -0.370 0.000 2.289 502 H HA -0.206 4.606 4.556 0.426 0.000 0.296 502 H C 2.150 177.406 175.328 -0.121 0.000 1.091 502 H CA 1.944 57.885 56.048 -0.179 0.000 1.274 502 H CB -0.275 29.516 29.762 0.048 0.000 1.364 502 H HN 0.308 nan 8.280 nan 0.000 0.490 503 A N 0.697 123.423 122.820 -0.158 0.000 1.940 503 A HA -0.186 4.388 4.320 0.425 0.000 0.219 503 A C 2.331 179.806 177.584 -0.182 0.000 1.176 503 A CA 1.811 53.717 52.037 -0.218 0.000 0.631 503 A CB -0.460 18.445 19.000 -0.159 0.000 0.814 503 A HN 0.692 nan 8.150 nan 0.000 0.446 504 E N -0.066 120.034 120.200 -0.166 0.000 2.106 504 E HA -0.164 4.441 4.350 0.425 0.000 0.192 504 E C 1.622 178.143 176.600 -0.131 0.000 0.984 504 E CA 1.022 57.335 56.400 -0.144 0.000 0.806 504 E CB -0.210 29.397 29.700 -0.155 0.000 0.750 504 E HN 0.590 nan 8.360 nan 0.000 0.458 505 N N 1.011 119.619 118.700 -0.153 0.000 2.142 505 N HA -0.121 4.874 4.740 0.425 0.000 0.186 505 N C 1.981 177.447 175.510 -0.074 0.000 1.023 505 N CA 0.929 53.915 53.050 -0.106 0.000 0.852 505 N CB -0.222 38.222 38.487 -0.073 0.000 0.998 505 N HN 0.197 nan 8.380 nan 0.000 0.424 506 I N 1.059 121.565 120.570 -0.106 0.000 2.179 506 I HA -0.246 4.179 4.170 0.425 0.000 0.242 506 I C 1.874 177.981 176.117 -0.016 0.000 1.088 506 I CA 1.278 62.548 61.300 -0.050 0.000 1.357 506 I CB -0.323 37.594 38.000 -0.139 0.000 1.051 506 I HN -0.001 nan 8.210 nan 0.000 0.409 507 D N 0.858 121.256 120.400 -0.004 0.000 2.221 507 D HA -0.188 4.707 4.640 0.425 0.000 0.204 507 D C 2.139 178.453 176.300 0.023 0.000 0.982 507 D CA 1.170 55.213 54.000 0.072 0.000 0.857 507 D CB 0.076 40.864 40.800 -0.019 0.000 0.934 507 D HN 0.175 nan 8.370 nan 0.000 0.475 508 K N -0.516 119.867 120.400 -0.028 0.000 2.148 508 K HA -0.024 4.551 4.320 0.425 0.000 0.204 508 K C 1.902 178.468 176.600 -0.058 0.000 1.050 508 K CA 0.483 56.746 56.287 -0.039 0.000 0.942 508 K CB 0.041 32.516 32.500 -0.043 0.000 0.724 508 K HN 0.266 nan 8.250 nan 0.000 0.446 509 L N 0.960 122.133 121.223 -0.083 0.000 2.376 509 L HA -0.053 4.542 4.340 0.425 0.000 0.219 509 L C 0.192 176.919 176.870 -0.239 0.000 1.133 509 L CA 0.176 54.944 54.840 -0.120 0.000 0.816 509 L CB -0.332 41.680 42.059 -0.078 0.000 0.933 509 L HN 0.082 nan 8.230 nan 0.000 0.449 510 S N 0.515 116.035 115.700 -0.301 0.000 3.447 510 S HA -0.199 4.526 4.470 0.425 0.000 0.371 510 S C 1.214 175.339 174.600 -0.792 0.000 0.951 510 S CA 0.507 58.453 58.200 -0.423 0.000 1.269 510 S CB -1.947 61.161 63.200 -0.155 0.000 0.919 510 S HN 0.835 nan 8.310 nan 0.000 0.516 511 G N 0.984 108.773 108.800 -1.685 0.000 2.176 511 G HA2 -0.349 3.866 3.960 0.425 0.000 0.253 511 G HA3 -0.349 3.866 3.960 0.425 0.000 0.253 511 G C 0.604 175.283 174.900 -0.368 0.000 0.979 511 G CA 0.320 44.687 45.100 -1.222 0.000 0.641 511 G HN 0.601 nan 8.290 nan 0.000 0.530 512 N N -0.807 117.714 118.700 -0.300 0.000 2.463 512 N HA 0.111 5.106 4.740 0.425 0.000 0.181 512 N C 0.039 175.605 175.510 0.092 0.000 1.078 512 N CA 0.994 54.016 53.050 -0.047 0.000 0.902 512 N CB 0.179 38.640 38.487 -0.043 0.000 0.970 512 N HN 0.662 nan 8.380 nan 0.000 0.451 513 Y N -0.655 119.532 120.300 -0.188 0.000 2.441 513 Y HA 0.364 5.196 4.550 0.471 0.000 0.334 513 Y C -2.025 173.720 175.900 -0.259 0.000 1.061 513 Y CA -1.235 56.814 58.100 -0.085 0.000 1.032 513 Y CB 0.700 39.124 38.460 -0.060 0.000 1.266 513 Y HN -0.174 nan 8.280 nan 0.000 0.441 514 W N 4.839 125.539 121.300 -0.999 0.000 2.683 514 W HA 0.632 5.748 4.660 0.759 0.000 0.329 514 W C -0.128 175.718 176.519 -1.121 0.000 1.037 514 W CA -0.651 56.126 57.345 -0.947 0.000 1.232 514 W CB 2.200 31.078 29.460 -0.969 0.000 1.390 514 W HN 0.593 nan 8.180 nan 0.000 0.465 515 T N 0.964 115.123 114.554 -0.659 0.000 2.922 515 T HA 0.898 5.503 4.350 0.425 0.000 0.281 515 T C 0.009 174.701 174.700 -0.014 0.000 1.005 515 T CA -0.108 61.830 62.100 -0.271 0.000 0.982 515 T CB 1.074 69.905 68.868 -0.062 0.000 1.158 515 T HN 0.660 nan 8.240 nan 0.000 0.566 516 G N 0.768 109.655 108.800 0.146 0.000 2.554 516 G HA2 0.588 4.803 3.960 0.425 0.000 0.306 516 G HA3 0.588 4.803 3.960 0.425 0.000 0.306 516 G C -3.301 171.724 174.900 0.209 0.000 1.320 516 G CA -0.884 44.345 45.100 0.216 0.000 0.800 516 G HN 0.564 nan 8.290 nan 0.000 0.481 517 P HA 0.514 nan 4.420 nan 0.000 0.277 517 P C -0.792 176.608 177.300 0.166 0.000 1.240 517 P CA 0.083 63.290 63.100 0.179 0.000 0.798 517 P CB 1.968 33.761 31.700 0.155 0.000 0.979 518 D N -0.157 120.338 120.400 0.157 0.000 3.057 518 D HA 0.220 5.115 4.640 0.425 0.000 0.328 518 D C -0.976 175.396 176.300 0.120 0.000 1.317 518 D CA -0.578 53.504 54.000 0.138 0.000 0.973 518 D CB 0.921 41.810 40.800 0.148 0.000 1.424 518 D HN -0.055 nan 8.370 nan 0.000 0.569 519 V N 2.900 122.877 119.914 0.105 0.000 2.506 519 V HA 0.076 4.451 4.120 0.425 0.000 0.296 519 V C 0.035 176.183 176.094 0.091 0.000 1.004 519 V CA 0.857 63.208 62.300 0.084 0.000 1.150 519 V CB -0.312 31.553 31.823 0.070 0.000 0.911 519 V HN 0.685 nan 8.190 nan 0.000 0.476 520 N N 1.817 120.560 118.700 0.073 0.000 2.967 520 N HA -0.140 4.855 4.740 0.425 0.000 0.241 520 N C 0.319 175.899 175.510 0.117 0.000 0.983 520 N CA 1.385 54.469 53.050 0.057 0.000 0.918 520 N CB -1.151 37.350 38.487 0.024 0.000 1.109 520 N HN 0.944 nan 8.380 nan 0.000 0.567 521 T N -1.507 113.143 114.554 0.160 0.000 2.893 521 T HA 0.738 5.343 4.350 0.425 0.000 0.291 521 T C 0.007 174.811 174.700 0.174 0.000 1.028 521 T CA -0.702 61.538 62.100 0.234 0.000 0.995 521 T CB 2.902 71.930 68.868 0.268 0.000 1.051 521 T HN 0.306 nan 8.240 nan 0.000 0.470 522 N N -0.564 118.248 118.700 0.187 0.000 3.157 522 N HA 0.398 5.393 4.740 0.425 0.000 0.291 522 N C 1.192 176.789 175.510 0.145 0.000 1.515 522 N CA -0.359 52.775 53.050 0.140 0.000 0.807 522 N CB 0.721 39.271 38.487 0.105 0.000 1.672 522 N HN 0.576 nan 8.380 nan 0.000 0.592 523 S N -1.227 114.544 115.700 0.118 0.000 2.400 523 S HA -0.156 4.569 4.470 0.425 0.000 0.232 523 S C 1.761 176.427 174.600 0.111 0.000 1.025 523 S CA 1.230 59.499 58.200 0.114 0.000 0.993 523 S CB -1.066 62.197 63.200 0.106 0.000 0.808 523 S HN 0.784 nan 8.310 nan 0.000 0.478 524 A N 1.955 124.843 122.820 0.112 0.000 1.930 524 A HA -0.048 4.527 4.320 0.425 0.000 0.217 524 A C 1.973 179.639 177.584 0.137 0.000 1.175 524 A CA 1.534 53.638 52.037 0.112 0.000 0.627 524 A CB -0.787 18.276 19.000 0.105 0.000 0.815 524 A HN 0.545 nan 8.150 nan 0.000 0.443 525 D N -0.484 120.027 120.400 0.186 0.000 2.178 525 D HA -0.107 4.788 4.640 0.425 0.000 0.202 525 D C 1.905 178.284 176.300 0.131 0.000 0.974 525 D CA 0.974 55.101 54.000 0.212 0.000 0.841 525 D CB -0.257 40.727 40.800 0.306 0.000 0.953 525 D HN 0.253 nan 8.370 nan 0.000 0.478 526 M N 0.645 120.322 119.600 0.127 0.000 2.229 526 M HA -0.098 4.637 4.480 0.425 0.000 0.264 526 M C 1.329 177.666 176.300 0.062 0.000 1.063 526 M CA 1.103 56.461 55.300 0.097 0.000 1.114 526 M CB -0.687 31.984 32.600 0.118 0.000 1.387 526 M HN -0.096 nan 8.290 nan 0.000 0.420 527 D N -0.063 120.379 120.400 0.070 0.000 2.117 527 D HA -0.083 4.812 4.640 0.425 0.000 0.198 527 D C 1.947 178.263 176.300 0.027 0.000 0.982 527 D CA 1.413 55.442 54.000 0.048 0.000 0.828 527 D CB -0.191 40.642 40.800 0.056 0.000 0.967 527 D HN 0.273 nan 8.370 nan 0.000 0.464 528 T N 0.791 115.369 114.554 0.041 0.000 2.746 528 T HA -0.061 4.544 4.350 0.425 0.000 0.267 528 T C 2.127 176.816 174.700 -0.018 0.000 1.039 528 T CA 0.444 62.555 62.100 0.018 0.000 1.142 528 T CB -0.255 68.638 68.868 0.041 0.000 0.866 528 T HN 0.115 nan 8.240 nan 0.000 0.444 529 L N 1.539 122.753 121.223 -0.014 0.000 2.012 529 L HA -0.138 4.457 4.340 0.425 0.000 0.210 529 L C 2.658 179.476 176.870 -0.087 0.000 1.073 529 L CA 1.277 56.085 54.840 -0.053 0.000 0.748 529 L CB -0.605 41.434 42.059 -0.033 0.000 0.891 529 L HN 0.404 nan 8.230 nan 0.000 0.431 530 N N 0.035 118.693 118.700 -0.069 0.000 2.513 530 N HA -0.203 4.792 4.740 0.425 0.000 0.187 530 N C 0.881 176.334 175.510 -0.096 0.000 1.056 530 N CA 0.860 53.852 53.050 -0.095 0.000 0.907 530 N CB 0.039 38.496 38.487 -0.050 0.000 0.954 530 N HN 0.379 nan 8.380 nan 0.000 0.445 531 D N -0.720 119.635 120.400 -0.074 0.000 2.312 531 D HA -0.040 4.855 4.640 0.425 0.000 0.211 531 D C 1.141 177.388 176.300 -0.089 0.000 0.964 531 D CA 0.994 54.953 54.000 -0.068 0.000 0.877 531 D CB 0.200 40.972 40.800 -0.047 0.000 0.924 531 D HN 0.313 nan 8.370 nan 0.000 0.515 532 T N -1.305 113.182 114.554 -0.112 0.000 3.056 532 T HA 0.053 4.658 4.350 0.425 0.000 0.243 532 T C 0.997 175.592 174.700 -0.175 0.000 0.995 532 T CA 0.287 62.311 62.100 -0.127 0.000 1.091 532 T CB 1.038 69.832 68.868 -0.122 0.000 0.990 532 T HN -0.024 nan 8.240 nan 0.000 0.464 533 T N 0.598 115.020 114.554 -0.220 0.000 2.916 533 T HA 0.374 4.979 4.350 0.425 0.000 0.292 533 T C 0.281 174.701 174.700 -0.466 0.000 1.055 533 T CA -0.628 61.263 62.100 -0.348 0.000 1.009 533 T CB 2.295 70.985 68.868 -0.297 0.000 1.118 533 T HN 0.218 nan 8.240 nan 0.000 0.497 534 E N 1.451 121.143 120.200 -0.847 0.000 2.307 534 E HA 0.056 4.661 4.350 0.425 0.000 0.195 534 E C -0.098 175.901 176.600 -1.001 0.000 0.975 534 E CA 0.280 56.156 56.400 -0.873 0.000 0.878 534 E CB 0.006 29.100 29.700 -1.010 0.000 0.845 534 E HN 0.612 nan 8.360 nan 0.000 0.488 535 F N 2.044 121.524 119.950 -0.782 0.000 2.600 535 F HA 0.137 4.905 4.527 0.401 0.000 0.369 535 F C -0.319 175.008 175.800 -0.789 0.000 1.164 535 F CA 0.045 57.187 58.000 -1.430 0.000 1.375 535 F CB -0.364 37.801 39.000 -1.391 0.000 1.633 535 F HN -0.228 nan 8.300 nan 0.000 0.624 536 V N 0.786 120.538 119.914 -0.271 0.000 2.588 536 V HA 0.444 4.819 4.120 0.425 0.000 0.304 536 V C -0.358 175.818 176.094 0.138 0.000 1.042 536 V CA -0.962 61.276 62.300 -0.102 0.000 0.877 536 V CB 2.065 33.848 31.823 -0.067 0.000 0.996 536 V HN -0.076 nan 8.190 nan 0.000 0.425 537 F N 1.702 121.771 119.950 0.198 0.000 2.492 537 F HA 0.793 5.089 4.527 -0.384 0.000 0.327 537 F C 1.116 176.993 175.800 0.129 0.000 1.079 537 F CA -0.585 57.513 58.000 0.163 0.000 0.967 537 F CB 1.696 40.779 39.000 0.138 0.000 1.169 537 F HN 0.757 nan 8.300 nan 0.000 0.472 538 G N 1.710 110.720 108.800 0.350 0.000 2.141 538 G HA2 -0.242 3.973 3.960 0.425 0.000 0.231 538 G HA3 -0.242 3.973 3.960 0.425 0.000 0.231 538 G C 0.440 175.449 174.900 0.182 0.000 0.984 538 G CA -0.567 44.677 45.100 0.240 0.000 0.660 538 G HN 0.606 nan 8.290 nan 0.000 0.525 539 R N 0.901 121.502 120.500 0.170 0.000 2.738 539 R HA 0.444 5.039 4.340 0.425 0.000 0.268 539 R C 1.540 177.908 176.300 0.112 0.000 1.062 539 R CA 0.511 56.686 56.100 0.124 0.000 1.158 539 R CB 0.357 30.721 30.300 0.107 0.000 1.046 539 R HN 0.620 nan 8.270 nan 0.000 0.493 540 S N 1.408 117.164 115.700 0.092 0.000 2.576 540 S HA -0.011 4.714 4.470 0.425 0.000 0.272 540 S C 1.663 176.307 174.600 0.074 0.000 1.352 540 S CA -0.582 57.666 58.200 0.081 0.000 1.021 540 S CB 0.447 63.688 63.200 0.067 0.000 0.887 540 S HN 0.563 nan 8.310 nan 0.000 0.542 541 L N 0.889 122.154 121.223 0.070 0.000 2.051 541 L HA -0.205 4.390 4.340 0.425 0.000 0.214 541 L C 2.653 179.551 176.870 0.047 0.000 1.076 541 L CA 2.034 56.910 54.840 0.060 0.000 0.758 541 L CB -0.965 41.127 42.059 0.055 0.000 0.890 541 L HN 0.727 nan 8.230 nan 0.000 0.433 542 E N -0.380 119.845 120.200 0.042 0.000 2.204 542 E HA -0.138 4.467 4.350 0.425 0.000 0.194 542 E C 2.187 178.807 176.600 0.033 0.000 0.989 542 E CA 0.717 57.138 56.400 0.034 0.000 0.824 542 E CB -0.038 29.680 29.700 0.030 0.000 0.756 542 E HN 0.292 nan 8.360 nan 0.000 0.477 543 R N -0.889 119.635 120.500 0.040 0.000 2.276 543 R HA 0.160 4.755 4.340 0.425 0.000 0.196 543 R C 0.895 177.219 176.300 0.040 0.000 0.961 543 R CA 0.862 56.984 56.100 0.037 0.000 1.024 543 R CB 0.716 31.039 30.300 0.038 0.000 0.940 543 R HN 0.329 nan 8.270 nan 0.000 0.480 544 G N -0.018 108.810 108.800 0.046 0.000 2.159 544 G HA2 -0.175 4.040 3.960 0.425 0.000 0.170 544 G HA3 -0.175 4.040 3.960 0.425 0.000 0.170 544 G C 0.346 175.283 174.900 0.063 0.000 1.007 544 G CA -0.274 44.854 45.100 0.047 0.000 0.672 544 G HN 0.538 nan 8.290 nan 0.000 0.507 545 G N -0.778 108.068 108.800 0.077 0.000 2.528 545 G HA2 0.688 4.903 3.960 0.425 0.000 0.289 545 G HA3 0.688 4.903 3.960 0.425 0.000 0.289 545 G C 1.076 176.031 174.900 0.093 0.000 1.192 545 G CA 0.249 45.410 45.100 0.102 0.000 0.921 545 G HN 1.238 nan 8.290 nan 0.000 0.512 546 A N -0.600 122.286 122.820 0.109 0.000 2.238 546 A HA 0.518 5.093 4.320 0.425 0.000 0.208 546 A C 1.750 179.510 177.584 0.293 0.000 1.177 546 A CA 1.363 53.478 52.037 0.129 0.000 0.804 546 A CB -1.036 17.976 19.000 0.020 0.000 0.823 546 A HN 2.471 nan 8.150 nan 0.000 0.482 547 G N -0.191 108.731 108.800 0.202 0.000 2.552 547 G HA2 -0.177 4.038 3.960 0.425 0.000 0.265 547 G HA3 -0.177 4.038 3.960 0.425 0.000 0.265 547 G C 0.430 175.412 174.900 0.137 0.000 1.234 547 G CA 0.382 45.580 45.100 0.164 0.000 0.944 547 G HN 1.758 nan 8.290 nan 0.000 0.568 548 S N -0.380 115.356 115.700 0.060 0.000 2.565 548 S HA 0.579 5.304 4.470 0.425 0.000 0.274 548 S C 1.150 175.597 174.600 -0.256 0.000 1.309 548 S CA 0.892 59.077 58.200 -0.024 0.000 1.043 548 S CB 1.420 64.628 63.200 0.013 0.000 0.939 548 S HN 2.238 nan 8.310 nan 0.000 0.504 549 S N 2.656 118.199 115.700 -0.262 0.000 2.663 549 S HA 0.431 5.156 4.470 0.425 0.000 0.243 549 S C 1.391 175.918 174.600 -0.122 0.000 1.009 549 S CA -0.036 57.913 58.200 -0.419 0.000 0.988 549 S CB 0.006 63.057 63.200 -0.248 0.000 0.896 549 S HN 0.978 nan 8.310 nan 0.000 0.502 550 A N 1.789 124.588 122.820 -0.035 0.000 1.877 550 A HA 0.057 4.632 4.320 0.425 0.000 0.216 550 A C 1.708 179.319 177.584 0.046 0.000 1.186 550 A CA 1.355 53.406 52.037 0.024 0.000 0.620 550 A CB -1.028 18.003 19.000 0.052 0.000 0.822 550 A HN 0.590 nan 8.150 nan 0.000 0.443 551 F N 1.588 121.508 119.950 -0.050 0.000 2.134 551 F HA -0.150 4.631 4.527 0.423 0.000 0.299 551 F C 2.492 178.278 175.800 -0.023 0.000 1.097 551 F CA 2.217 60.192 58.000 -0.042 0.000 1.264 551 F CB -0.617 38.361 39.000 -0.036 0.000 1.001 551 F HN 0.229 nan 8.300 nan 0.000 0.479 552 T N -1.096 113.463 114.554 0.007 0.000 2.867 552 T HA -0.146 4.459 4.350 0.425 0.000 0.268 552 T C 1.881 176.541 174.700 -0.066 0.000 1.057 552 T CA 1.762 63.874 62.100 0.021 0.000 1.136 552 T CB -0.603 68.417 68.868 0.253 0.000 0.874 552 T HN 0.269 nan 8.240 nan 0.000 0.466 553 T N 2.048 116.570 114.554 -0.054 0.000 2.737 553 T HA 0.015 4.620 4.350 0.425 0.000 0.265 553 T C 2.452 177.097 174.700 -0.091 0.000 1.038 553 T CA 1.155 63.230 62.100 -0.043 0.000 1.144 553 T CB -0.495 68.367 68.868 -0.009 0.000 0.866 553 T HN 0.446 nan 8.240 nan 0.000 0.434 554 A N 0.723 123.450 122.820 -0.154 0.000 1.969 554 A HA 0.024 4.599 4.320 0.425 0.000 0.218 554 A C 2.550 179.997 177.584 -0.227 0.000 1.169 554 A CA 0.902 52.837 52.037 -0.171 0.000 0.635 554 A CB -0.875 18.031 19.000 -0.157 0.000 0.810 554 A HN 0.340 nan 8.150 nan 0.000 0.445 555 V N -0.119 119.547 119.914 -0.412 0.000 2.343 555 V HA -0.180 4.195 4.120 0.425 0.000 0.247 555 V C 2.808 178.857 176.094 -0.075 0.000 1.051 555 V CA 1.985 64.095 62.300 -0.318 0.000 1.036 555 V CB -1.259 30.284 31.823 -0.466 0.000 0.654 555 V HN 0.603 nan 8.190 nan 0.000 0.451 556 G N -0.223 108.526 108.800 -0.085 0.000 2.446 556 G HA2 -0.228 3.987 3.960 0.425 0.000 0.217 556 G HA3 -0.228 3.987 3.960 0.425 0.000 0.217 556 G C 1.652 176.529 174.900 -0.038 0.000 1.168 556 G CA 1.322 46.394 45.100 -0.046 0.000 0.771 556 G HN 0.400 nan 8.290 nan 0.000 0.551 557 V N 0.355 120.253 119.914 -0.026 0.000 2.490 557 V HA -0.098 4.277 4.120 0.425 0.000 0.250 557 V C 2.299 178.424 176.094 0.052 0.000 1.061 557 V CA 1.596 63.889 62.300 -0.011 0.000 1.064 557 V CB -0.579 31.234 31.823 -0.016 0.000 0.670 557 V HN 0.365 nan 8.190 nan 0.000 0.461 558 F N 1.271 121.159 119.950 -0.105 0.000 2.128 558 F HA -0.034 4.747 4.527 0.423 0.000 0.295 558 F C 2.399 178.161 175.800 -0.064 0.000 1.100 558 F CA 1.569 59.519 58.000 -0.084 0.000 1.260 558 F CB -0.306 38.631 39.000 -0.104 0.000 1.009 558 F HN 0.071 nan 8.300 nan 0.000 0.476 559 E N 0.788 120.883 120.200 -0.174 0.000 2.058 559 E HA -0.193 4.412 4.350 0.425 0.000 0.194 559 E C 2.420 178.901 176.600 -0.199 0.000 0.997 559 E CA 1.333 57.578 56.400 -0.259 0.000 0.801 559 E CB -0.958 28.665 29.700 -0.128 0.000 0.746 559 E HN 0.447 nan 8.360 nan 0.000 0.450 560 A N 1.170 123.912 122.820 -0.130 0.000 1.883 560 A HA -0.200 4.375 4.320 0.425 0.000 0.217 560 A C 2.302 179.840 177.584 -0.077 0.000 1.186 560 A CA 2.001 53.970 52.037 -0.113 0.000 0.624 560 A CB -0.630 18.300 19.000 -0.115 0.000 0.822 560 A HN 0.317 nan 8.150 nan 0.000 0.444 561 M N -0.445 119.110 119.600 -0.074 0.000 2.108 561 M HA -0.226 4.509 4.480 0.425 0.000 0.261 561 M C 1.961 178.218 176.300 -0.072 0.000 1.066 561 M CA 2.129 57.405 55.300 -0.040 0.000 1.107 561 M CB -0.224 32.380 32.600 0.006 0.000 1.356 561 M HN 0.376 nan 8.290 nan 0.000 0.406 562 K N -0.034 120.248 120.400 -0.196 0.000 2.097 562 K HA -0.083 4.492 4.320 0.425 0.000 0.205 562 K C 2.022 178.573 176.600 -0.081 0.000 1.050 562 K CA 1.320 57.488 56.287 -0.198 0.000 0.938 562 K CB -0.309 31.974 32.500 -0.361 0.000 0.718 562 K HN 0.442 nan 8.250 nan 0.000 0.442 563 A N 1.228 124.016 122.820 -0.053 0.000 1.902 563 A HA -0.149 4.426 4.320 0.425 0.000 0.217 563 A C 2.250 179.935 177.584 0.169 0.000 1.181 563 A CA 1.998 54.060 52.037 0.042 0.000 0.623 563 A CB -0.953 18.054 19.000 0.012 0.000 0.818 563 A HN 0.238 nan 8.150 nan 0.000 0.443 564 T N -0.531 114.141 114.554 0.196 0.000 2.746 564 T HA -0.105 4.500 4.350 0.425 0.000 0.267 564 T C 1.832 176.565 174.700 0.055 0.000 1.039 564 T CA 1.482 63.707 62.100 0.208 0.000 1.142 564 T CB -0.377 68.608 68.868 0.195 0.000 0.866 564 T HN 0.128 nan 8.240 nan 0.000 0.444 565 V N 1.366 121.303 119.914 0.038 0.000 2.427 565 V HA -0.132 4.243 4.120 0.425 0.000 0.248 565 V C 2.752 178.850 176.094 0.007 0.000 1.051 565 V CA 1.618 63.926 62.300 0.012 0.000 1.048 565 V CB -0.977 30.848 31.823 0.003 0.000 0.666 565 V HN 0.531 nan 8.190 nan 0.000 0.456 566 A N -0.925 121.909 122.820 0.024 0.000 1.854 566 A HA -0.248 4.327 4.320 0.425 0.000 0.214 566 A C 2.061 179.654 177.584 0.015 0.000 1.192 566 A CA 1.968 54.015 52.037 0.018 0.000 0.611 566 A CB -0.855 18.165 19.000 0.033 0.000 0.832 566 A HN 0.659 nan 8.150 nan 0.000 0.442 567 H N -0.334 118.708 119.070 -0.048 0.000 2.319 567 H HA -0.157 4.655 4.556 0.426 0.000 0.299 567 H C 2.158 177.401 175.328 -0.142 0.000 1.092 567 H CA 2.196 58.185 56.048 -0.098 0.000 1.302 567 H CB -0.021 29.631 29.762 -0.184 0.000 1.373 567 H HN 0.386 nan 8.280 nan 0.000 0.497 568 R N 0.279 120.741 120.500 -0.063 0.000 2.241 568 R HA -0.022 4.573 4.340 0.425 0.000 0.224 568 R C 0.969 177.212 176.300 -0.096 0.000 1.101 568 R CA 1.129 57.172 56.100 -0.096 0.000 0.995 568 R CB -0.248 30.011 30.300 -0.069 0.000 0.870 568 R HN 0.536 nan 8.270 nan 0.000 0.463 569 G N -0.809 107.937 108.800 -0.090 0.000 2.140 569 G HA2 -0.183 4.032 3.960 0.425 0.000 0.211 569 G HA3 -0.183 4.032 3.960 0.425 0.000 0.211 569 G C 0.050 174.922 174.900 -0.047 0.000 1.013 569 G CA 0.151 45.204 45.100 -0.078 0.000 0.705 569 G HN 0.225 nan 8.290 nan 0.000 0.508 570 L N 0.079 121.283 121.223 -0.033 0.000 2.607 570 L HA 0.510 5.105 4.340 0.425 0.000 0.228 570 L C 2.143 179.006 176.870 -0.013 0.000 1.123 570 L CA 1.664 56.493 54.840 -0.018 0.000 0.890 570 L CB -0.503 41.550 42.059 -0.008 0.000 1.103 570 L HN 1.410 nan 8.230 nan 0.000 0.468 571 G N -0.449 108.340 108.800 -0.018 0.000 2.652 571 G HA2 -0.298 3.917 3.960 0.425 0.000 0.278 571 G HA3 -0.298 3.917 3.960 0.425 0.000 0.278 571 G C 0.180 175.074 174.900 -0.011 0.000 1.263 571 G CA 0.201 45.293 45.100 -0.013 0.000 0.966 571 G HN 0.541 nan 8.290 nan 0.000 0.544 572 S N -0.510 115.187 115.700 -0.005 0.000 2.726 572 S HA 0.751 5.476 4.470 0.425 0.000 0.308 572 S C 1.132 175.737 174.600 0.008 0.000 1.115 572 S CA -0.023 58.174 58.200 -0.005 0.000 0.965 572 S CB 1.896 65.096 63.200 -0.001 0.000 1.145 572 S HN 0.946 nan 8.310 nan 0.000 0.532 573 L N 0.431 121.663 121.223 0.015 0.000 2.450 573 L HA 0.017 4.612 4.340 0.425 0.000 0.224 573 L C 0.556 177.454 176.870 0.047 0.000 1.149 573 L CA 0.727 55.592 54.840 0.041 0.000 0.816 573 L CB -0.467 41.641 42.059 0.081 0.000 0.932 573 L HN 0.719 nan 8.230 nan 0.000 0.449 574 D N 0.396 120.819 120.400 0.039 0.000 2.412 574 D HA 0.209 5.104 4.640 0.425 0.000 0.257 574 D C 1.120 177.437 176.300 0.030 0.000 1.217 574 D CA 1.127 55.149 54.000 0.037 0.000 0.897 574 D CB 0.490 41.309 40.800 0.032 0.000 1.132 574 D HN 0.266 nan 8.370 nan 0.000 0.493 575 G N 3.156 111.975 108.800 0.032 0.000 2.143 575 G HA2 -0.214 4.001 3.960 0.425 0.000 0.248 575 G HA3 -0.214 4.001 3.960 0.425 0.000 0.248 575 G C 0.144 175.060 174.900 0.027 0.000 0.991 575 G CA 0.190 45.306 45.100 0.027 0.000 0.689 575 G HN 0.494 nan 8.290 nan 0.000 0.522 576 L N 0.211 121.453 121.223 0.033 0.000 2.344 576 L HA 0.593 5.188 4.340 0.425 0.000 0.272 576 L C 0.405 177.297 176.870 0.038 0.000 1.035 576 L CA -0.685 54.175 54.840 0.033 0.000 0.807 576 L CB 1.843 43.923 42.059 0.036 0.000 1.237 576 L HN 0.070 nan 8.230 nan 0.000 0.442 577 T N 1.945 116.521 114.554 0.038 0.000 2.738 577 T HA 0.371 4.976 4.350 0.425 0.000 0.298 577 T C -0.139 174.592 174.700 0.051 0.000 0.962 577 T CA -0.287 61.838 62.100 0.041 0.000 0.972 577 T CB 0.979 69.870 68.868 0.038 0.000 0.928 577 T HN 0.177 nan 8.240 nan 0.000 0.474 578 V N 5.466 125.408 119.914 0.046 0.000 2.398 578 V HA 0.426 4.801 4.120 0.425 0.000 0.286 578 V C 0.005 176.133 176.094 0.056 0.000 1.026 578 V CA -0.864 61.468 62.300 0.054 0.000 0.868 578 V CB 1.656 33.500 31.823 0.035 0.000 0.982 578 V HN 0.731 nan 8.190 nan 0.000 0.443 579 L N 6.123 127.410 121.223 0.107 0.000 2.264 579 L HA 0.526 5.121 4.340 0.425 0.000 0.287 579 L C -0.644 176.299 176.870 0.121 0.000 1.039 579 L CA -0.372 54.549 54.840 0.134 0.000 0.829 579 L CB 1.285 43.477 42.059 0.222 0.000 1.211 579 L HN 0.458 nan 8.230 nan 0.000 0.427 580 V N 5.145 125.090 119.914 0.051 0.000 2.385 580 V HA 0.203 4.578 4.120 0.425 0.000 0.269 580 V C 0.148 176.263 176.094 0.036 0.000 1.043 580 V CA -0.376 61.928 62.300 0.007 0.000 0.906 580 V CB 1.331 33.138 31.823 -0.027 0.000 0.995 580 V HN 0.719 nan 8.190 nan 0.000 0.467 581 Q N 4.180 123.992 119.800 0.019 0.000 2.368 581 Q HA 0.561 5.156 4.340 0.425 0.000 0.256 581 Q C 0.072 176.083 176.000 0.019 0.000 0.980 581 Q CA 0.140 55.980 55.803 0.061 0.000 0.887 581 Q CB 1.248 30.081 28.738 0.160 0.000 1.221 581 Q HN 1.111 nan 8.270 nan 0.000 0.458 582 G N 3.981 112.799 108.800 0.029 0.000 3.380 582 G HA2 -0.130 4.085 3.960 0.425 0.000 0.685 582 G HA3 -0.130 4.085 3.960 0.425 0.000 0.685 582 G C -0.538 174.371 174.900 0.016 0.000 1.136 582 G CA -0.691 44.421 45.100 0.021 0.000 1.011 582 G HN 0.705 nan 8.290 nan 0.000 0.471 583 L N 2.863 124.101 121.223 0.025 0.000 3.064 583 L HA 0.395 4.990 4.340 0.425 0.000 0.233 583 L C 1.672 178.560 176.870 0.031 0.000 1.333 583 L CA 0.190 55.048 54.840 0.029 0.000 1.140 583 L CB -0.208 41.877 42.059 0.044 0.000 1.519 583 L HN 0.708 nan 8.230 nan 0.000 0.493 584 G N -0.350 108.465 108.800 0.025 0.000 2.624 584 G HA2 0.312 4.527 3.960 0.425 0.000 0.217 584 G HA3 0.312 4.527 3.960 0.425 0.000 0.217 584 G C 1.173 176.091 174.900 0.031 0.000 1.506 584 G CA 0.416 45.532 45.100 0.026 0.000 1.072 584 G HN 0.301 nan 8.290 nan 0.000 0.568 585 A N -1.491 121.348 122.820 0.033 0.000 1.873 585 A HA -0.039 4.536 4.320 0.425 0.000 0.218 585 A C 2.496 180.108 177.584 0.047 0.000 1.193 585 A CA 2.592 54.654 52.037 0.040 0.000 0.629 585 A CB -0.854 18.170 19.000 0.040 0.000 0.826 585 A HN 0.452 nan 8.150 nan 0.000 0.447 586 V N -0.685 119.249 119.914 0.033 0.000 2.374 586 V HA -0.002 4.373 4.120 0.425 0.000 0.241 586 V C 2.841 178.938 176.094 0.006 0.000 1.034 586 V CA 1.457 63.768 62.300 0.019 0.000 1.037 586 V CB -1.506 30.322 31.823 0.009 0.000 0.682 586 V HN 0.605 nan 8.190 nan 0.000 0.463 587 G N 0.739 109.542 108.800 0.004 0.000 2.553 587 G HA2 -0.262 3.953 3.960 0.425 0.000 0.218 587 G HA3 -0.262 3.953 3.960 0.425 0.000 0.218 587 G C 1.647 176.543 174.900 -0.007 0.000 1.195 587 G CA 1.224 46.320 45.100 -0.007 0.000 0.779 587 G HN 0.593 nan 8.290 nan 0.000 0.577 588 G N 0.027 108.836 108.800 0.014 0.000 2.432 588 G HA2 -0.084 4.131 3.960 0.425 0.000 0.219 588 G HA3 -0.084 4.131 3.960 0.425 0.000 0.219 588 G C 2.122 177.034 174.900 0.020 0.000 1.135 588 G CA 1.474 46.589 45.100 0.025 0.000 0.767 588 G HN 0.457 nan 8.290 nan 0.000 0.550 589 S N 0.067 115.786 115.700 0.032 0.000 2.357 589 S HA -0.050 4.675 4.470 0.425 0.000 0.221 589 S C 2.146 176.723 174.600 -0.038 0.000 1.031 589 S CA 0.903 59.135 58.200 0.054 0.000 0.982 589 S CB -0.273 63.008 63.200 0.135 0.000 0.853 589 S HN 0.267 nan 8.310 nan 0.000 0.458 590 L N 2.092 123.276 121.223 -0.065 0.000 2.042 590 L HA -0.090 4.505 4.340 0.425 0.000 0.210 590 L C 2.293 179.086 176.870 -0.129 0.000 1.076 590 L CA 1.903 56.678 54.840 -0.109 0.000 0.749 590 L CB -0.846 41.181 42.059 -0.053 0.000 0.893 590 L HN 0.263 nan 8.230 nan 0.000 0.432 591 A N -1.848 120.912 122.820 -0.099 0.000 1.933 591 A HA -0.203 4.372 4.320 0.425 0.000 0.218 591 A C 2.481 179.978 177.584 -0.145 0.000 1.175 591 A CA 1.857 53.810 52.037 -0.140 0.000 0.628 591 A CB -1.002 17.889 19.000 -0.181 0.000 0.814 591 A HN 0.499 nan 8.150 nan 0.000 0.444 592 S N -0.412 115.230 115.700 -0.097 0.000 2.359 592 S HA -0.124 4.601 4.470 0.425 0.000 0.224 592 S C 1.890 176.397 174.600 -0.155 0.000 1.035 592 S CA 1.513 59.670 58.200 -0.070 0.000 1.018 592 S CB -0.469 62.715 63.200 -0.027 0.000 0.876 592 S HN 0.522 nan 8.310 nan 0.000 0.448 593 L N 0.819 121.857 121.223 -0.308 0.000 1.989 593 L HA -0.166 4.429 4.340 0.425 0.000 0.211 593 L C 2.802 179.349 176.870 -0.539 0.000 1.071 593 L CA 1.466 55.904 54.840 -0.671 0.000 0.749 593 L CB -0.722 40.617 42.059 -1.198 0.000 0.890 593 L HN 0.346 nan 8.230 nan 0.000 0.431 594 A N -0.195 122.457 122.820 -0.280 0.000 1.930 594 A HA -0.124 4.451 4.320 0.425 0.000 0.217 594 A C 2.523 180.122 177.584 0.025 0.000 1.175 594 A CA 1.631 53.688 52.037 0.034 0.000 0.627 594 A CB -0.647 18.384 19.000 0.052 0.000 0.815 594 A HN 0.418 nan 8.150 nan 0.000 0.443 595 A N -0.572 122.227 122.820 -0.035 0.000 1.858 595 A HA -0.184 4.391 4.320 0.425 0.000 0.216 595 A C 2.045 179.649 177.584 0.034 0.000 1.190 595 A CA 1.783 53.829 52.037 0.014 0.000 0.617 595 A CB -0.531 18.494 19.000 0.041 0.000 0.827 595 A HN 0.427 nan 8.150 nan 0.000 0.443 596 E N 0.176 120.378 120.200 0.003 0.000 2.160 596 E HA -0.137 4.468 4.350 0.425 0.000 0.195 596 E C 1.796 178.427 176.600 0.052 0.000 0.991 596 E CA 1.136 57.544 56.400 0.014 0.000 0.810 596 E CB -0.272 29.417 29.700 -0.019 0.000 0.742 596 E HN 0.490 nan 8.360 nan 0.000 0.466 597 A N -0.780 122.094 122.820 0.089 0.000 2.302 597 A HA 0.325 4.900 4.320 0.425 0.000 0.219 597 A C 1.470 179.115 177.584 0.103 0.000 1.243 597 A CA 1.026 53.152 52.037 0.148 0.000 0.856 597 A CB -0.165 19.025 19.000 0.316 0.000 0.893 597 A HN 0.305 nan 8.150 nan 0.000 0.491 598 G N -2.277 106.568 108.800 0.074 0.000 2.179 598 G HA2 0.125 4.340 3.960 0.425 0.000 0.220 598 G HA3 0.125 4.340 3.960 0.425 0.000 0.220 598 G C 0.408 175.341 174.900 0.056 0.000 0.990 598 G CA 0.096 45.231 45.100 0.058 0.000 0.646 598 G HN 1.529 nan 8.290 nan 0.000 0.517 599 A N 0.098 122.956 122.820 0.062 0.000 2.302 599 A HA 0.728 5.303 4.320 0.425 0.000 0.285 599 A C 0.359 177.969 177.584 0.043 0.000 1.105 599 A CA -0.119 51.949 52.037 0.052 0.000 0.816 599 A CB 0.580 19.616 19.000 0.060 0.000 1.067 599 A HN 0.230 nan 8.150 nan 0.000 0.489 600 Q N 0.949 120.774 119.800 0.041 0.000 2.267 600 Q HA 0.348 4.943 4.340 0.425 0.000 0.255 600 Q C -0.955 175.061 176.000 0.025 0.000 0.923 600 Q CA -0.149 55.683 55.803 0.048 0.000 0.925 600 Q CB 1.437 30.203 28.738 0.045 0.000 1.195 600 Q HN 0.539 nan 8.270 nan 0.000 0.417 601 L N 4.484 125.719 121.223 0.020 0.000 2.272 601 L HA 0.449 5.044 4.340 0.425 0.000 0.289 601 L C -0.218 176.648 176.870 -0.008 0.000 1.032 601 L CA -0.390 54.403 54.840 -0.079 0.000 0.810 601 L CB 0.794 42.600 42.059 -0.422 0.000 1.205 601 L HN 0.455 nan 8.230 nan 0.000 0.422 602 L N 5.093 126.319 121.223 0.004 0.000 2.282 602 L HA 0.631 5.226 4.340 0.425 0.000 0.288 602 L C -0.028 176.859 176.870 0.029 0.000 1.033 602 L CA -0.733 54.129 54.840 0.036 0.000 0.807 602 L CB 1.914 44.003 42.059 0.050 0.000 1.209 602 L HN 0.405 nan 8.230 nan 0.000 0.423 603 V N 0.822 120.762 119.914 0.043 0.000 2.962 603 V HA 1.020 5.395 4.120 0.425 0.000 0.313 603 V C -0.737 175.390 176.094 0.055 0.000 1.099 603 V CA -0.500 61.824 62.300 0.041 0.000 0.971 603 V CB 1.936 33.780 31.823 0.034 0.000 1.028 603 V HN 0.824 nan 8.190 nan 0.000 0.430 604 A N 2.535 125.388 122.820 0.056 0.000 2.459 604 A HA 0.863 5.438 4.320 0.425 0.000 0.296 604 A C -1.222 176.392 177.584 0.050 0.000 1.039 604 A CA -0.311 51.759 52.037 0.056 0.000 0.698 604 A CB 1.640 20.681 19.000 0.069 0.000 1.261 604 A HN 1.130 nan 8.150 nan 0.000 0.405 605 D N 1.190 121.615 120.400 0.042 0.000 2.769 605 D HA 0.230 5.125 4.640 0.425 0.000 0.219 605 D C 0.997 177.313 176.300 0.027 0.000 1.245 605 D CA 0.458 54.479 54.000 0.035 0.000 0.801 605 D CB 2.066 42.887 40.800 0.035 0.000 1.598 605 D HN 0.559 nan 8.370 nan 0.000 0.485 606 T N -0.263 114.304 114.554 0.021 0.000 2.897 606 T HA -0.148 4.457 4.350 0.425 0.000 0.271 606 T C 0.644 175.347 174.700 0.004 0.000 1.084 606 T CA 0.762 62.869 62.100 0.012 0.000 1.123 606 T CB -0.024 68.849 68.868 0.009 0.000 0.865 606 T HN 0.248 nan 8.240 nan 0.000 0.496 607 D N 2.127 122.531 120.400 0.007 0.000 2.396 607 D HA 0.242 5.137 4.640 0.425 0.000 0.225 607 D C 1.490 177.796 176.300 0.011 0.000 1.121 607 D CA 0.041 54.041 54.000 0.000 0.000 0.853 607 D CB 1.463 42.260 40.800 -0.005 0.000 1.043 607 D HN 0.258 nan 8.370 nan 0.000 0.500 608 T N 1.040 115.597 114.554 0.005 0.000 2.759 608 T HA -0.233 4.372 4.350 0.425 0.000 0.269 608 T C 1.564 176.276 174.700 0.020 0.000 1.042 608 T CA 1.366 63.474 62.100 0.012 0.000 1.140 608 T CB -0.191 68.679 68.868 0.003 0.000 0.864 608 T HN 0.485 nan 8.240 nan 0.000 0.455 609 E N 0.835 121.040 120.200 0.007 0.000 2.072 609 E HA -0.094 4.511 4.350 0.425 0.000 0.191 609 E C 2.545 179.167 176.600 0.037 0.000 0.985 609 E CA 0.747 57.149 56.400 0.003 0.000 0.801 609 E CB -0.045 29.635 29.700 -0.033 0.000 0.750 609 E HN 0.486 nan 8.360 nan 0.000 0.452 610 R N -0.355 120.167 120.500 0.037 0.000 2.070 610 R HA -0.140 4.455 4.340 0.425 0.000 0.232 610 R C 2.386 178.755 176.300 0.115 0.000 1.138 610 R CA 1.759 57.903 56.100 0.074 0.000 0.936 610 R CB -0.477 29.851 30.300 0.046 0.000 0.839 610 R HN 0.088 nan 8.270 nan 0.000 0.429 611 V N 0.958 120.919 119.914 0.078 0.000 2.252 611 V HA -0.305 4.070 4.120 0.425 0.000 0.249 611 V C 2.399 178.545 176.094 0.087 0.000 1.056 611 V CA 2.042 64.388 62.300 0.077 0.000 1.022 611 V CB -1.080 30.774 31.823 0.053 0.000 0.641 611 V HN 0.499 nan 8.190 nan 0.000 0.445 612 A N -0.372 122.497 122.820 0.081 0.000 1.892 612 A HA -0.359 4.216 4.320 0.425 0.000 0.218 612 A C 2.168 179.820 177.584 0.114 0.000 1.188 612 A CA 2.665 54.749 52.037 0.079 0.000 0.631 612 A CB -0.973 18.064 19.000 0.061 0.000 0.822 612 A HN 0.711 nan 8.150 nan 0.000 0.447 613 H N -0.170 118.906 119.070 0.010 0.000 2.353 613 H HA 0.034 4.844 4.556 0.425 0.000 0.300 613 H C 2.234 177.570 175.328 0.014 0.000 1.090 613 H CA 1.671 57.723 56.048 0.007 0.000 1.327 613 H CB -0.375 29.395 29.762 0.014 0.000 1.383 613 H HN 0.411 nan 8.280 nan 0.000 0.508 614 A N -0.417 122.428 122.820 0.041 0.000 1.969 614 A HA -0.083 4.492 4.320 0.425 0.000 0.218 614 A C 2.724 180.290 177.584 -0.030 0.000 1.169 614 A CA 1.440 53.513 52.037 0.061 0.000 0.635 614 A CB -0.829 18.288 19.000 0.196 0.000 0.810 614 A HN 0.330 nan 8.150 nan 0.000 0.445 615 V N -0.292 119.619 119.914 -0.005 0.000 2.427 615 V HA -0.216 4.159 4.120 0.425 0.000 0.248 615 V C 3.031 179.063 176.094 -0.103 0.000 1.051 615 V CA 1.729 64.010 62.300 -0.030 0.000 1.048 615 V CB -0.926 30.903 31.823 0.009 0.000 0.666 615 V HN 0.619 nan 8.190 nan 0.000 0.456 616 A N 0.072 122.829 122.820 -0.105 0.000 1.917 616 A HA -0.205 4.370 4.320 0.425 0.000 0.219 616 A C 2.057 179.521 177.584 -0.201 0.000 1.182 616 A CA 1.951 53.914 52.037 -0.124 0.000 0.633 616 A CB -0.598 18.337 19.000 -0.110 0.000 0.819 616 A HN 0.553 nan 8.150 nan 0.000 0.448 617 L N -1.592 119.442 121.223 -0.316 0.000 2.549 617 L HA 0.114 4.709 4.340 0.425 0.000 0.229 617 L C 1.611 178.171 176.870 -0.517 0.000 1.158 617 L CA 0.618 55.215 54.840 -0.405 0.000 0.842 617 L CB -0.620 41.176 42.059 -0.438 0.000 0.952 617 L HN 0.646 nan 8.230 nan 0.000 0.452 618 G N -1.214 107.319 108.800 -0.445 0.000 2.143 618 G HA2 -0.160 4.055 3.960 0.425 0.000 0.175 618 G HA3 -0.160 4.055 3.960 0.425 0.000 0.175 618 G C 0.054 174.785 174.900 -0.282 0.000 1.004 618 G CA -0.577 44.334 45.100 -0.315 0.000 0.671 618 G HN 0.335 nan 8.290 nan 0.000 0.512 619 H N 0.203 119.259 119.070 -0.025 0.000 2.523 619 H HA 0.704 5.515 4.556 0.425 0.000 0.345 619 H C 0.079 175.406 175.328 -0.002 0.000 1.261 619 H CA 0.321 56.362 56.048 -0.011 0.000 1.343 619 H CB 0.916 30.671 29.762 -0.012 0.000 1.650 619 H HN 0.107 nan 8.280 nan 0.000 0.591 620 T N 0.761 115.416 114.554 0.168 0.000 2.779 620 T HA 0.538 5.143 4.350 0.425 0.000 0.280 620 T C 0.194 174.941 174.700 0.079 0.000 0.987 620 T CA -0.758 61.396 62.100 0.090 0.000 0.966 620 T CB 1.219 70.128 68.868 0.068 0.000 0.933 620 T HN 0.694 nan 8.240 nan 0.000 0.442 621 A N 2.993 125.849 122.820 0.061 0.000 2.388 621 A HA 0.648 5.223 4.320 0.425 0.000 0.257 621 A C -0.181 177.429 177.584 0.044 0.000 1.095 621 A CA -0.436 51.632 52.037 0.052 0.000 0.791 621 A CB 0.311 19.337 19.000 0.043 0.000 1.029 621 A HN 0.688 nan 8.150 nan 0.000 0.489 622 V N 1.810 121.750 119.914 0.044 0.000 2.531 622 V HA 0.560 4.935 4.120 0.425 0.000 0.301 622 V C 0.614 176.729 176.094 0.034 0.000 1.034 622 V CA -0.451 61.873 62.300 0.039 0.000 0.865 622 V CB 1.370 33.220 31.823 0.045 0.000 0.995 622 V HN 1.228 nan 8.190 nan 0.000 0.424 623 A N 4.197 127.032 122.820 0.026 0.000 2.488 623 A HA 0.440 5.015 4.320 0.425 0.000 0.249 623 A C 1.214 178.813 177.584 0.024 0.000 1.083 623 A CA -0.166 51.884 52.037 0.022 0.000 0.768 623 A CB 0.035 19.044 19.000 0.015 0.000 1.017 623 A HN 0.951 nan 8.150 nan 0.000 0.496 624 L N 1.263 122.501 121.223 0.025 0.000 2.151 624 L HA -0.257 4.338 4.340 0.425 0.000 0.215 624 L C 2.573 179.456 176.870 0.022 0.000 1.084 624 L CA 2.160 57.017 54.840 0.029 0.000 0.764 624 L CB -0.278 41.796 42.059 0.025 0.000 0.891 624 L HN 0.957 nan 8.230 nan 0.000 0.435 625 E N -1.348 118.860 120.200 0.014 0.000 2.489 625 E HA -0.115 4.490 4.350 0.425 0.000 0.193 625 E C 0.263 176.864 176.600 0.000 0.000 1.057 625 E CA 0.566 56.970 56.400 0.006 0.000 0.866 625 E CB 0.134 29.837 29.700 0.004 0.000 0.916 625 E HN 0.471 nan 8.360 nan 0.000 0.500 626 D N 0.485 120.887 120.400 0.003 0.000 2.469 626 D HA 0.084 4.979 4.640 0.425 0.000 0.213 626 D C 1.679 177.972 176.300 -0.011 0.000 1.135 626 D CA -0.035 53.962 54.000 -0.005 0.000 0.834 626 D CB 0.977 41.778 40.800 0.002 0.000 1.009 626 D HN -0.004 nan 8.370 nan 0.000 0.507 627 V N 1.109 121.022 119.914 -0.001 0.000 2.214 627 V HA -0.241 4.134 4.120 0.425 0.000 0.247 627 V C 2.400 178.446 176.094 -0.080 0.000 1.051 627 V CA 1.405 63.707 62.300 0.003 0.000 1.003 627 V CB -0.444 31.410 31.823 0.052 0.000 0.635 627 V HN 0.286 nan 8.190 nan 0.000 0.447 628 L N 0.694 121.848 121.223 -0.115 0.000 2.622 628 L HA -0.032 4.563 4.340 0.425 0.000 0.233 628 L C 2.182 178.949 176.870 -0.171 0.000 1.156 628 L CA 1.363 56.071 54.840 -0.220 0.000 0.866 628 L CB -0.418 41.549 42.059 -0.153 0.000 0.980 628 L HN 0.592 nan 8.230 nan 0.000 0.448 629 S N -2.542 113.094 115.700 -0.106 0.000 2.526 629 S HA 0.045 4.770 4.470 0.425 0.000 0.220 629 S C 0.877 175.438 174.600 -0.065 0.000 1.017 629 S CA -0.404 57.749 58.200 -0.078 0.000 0.930 629 S CB 0.123 63.294 63.200 -0.049 0.000 0.856 629 S HN 0.172 nan 8.310 nan 0.000 0.497 630 T N 5.620 120.135 114.554 -0.064 0.000 2.779 630 T HA 0.385 4.990 4.350 0.425 0.000 0.296 630 T C -2.803 171.875 174.700 -0.036 0.000 0.938 630 T CA -0.925 61.154 62.100 -0.035 0.000 1.119 630 T CB 1.016 69.880 68.868 -0.007 0.000 0.891 630 T HN 0.269 nan 8.240 nan 0.000 0.526 631 P HA 0.300 nan 4.420 nan 0.000 0.271 631 P C -0.313 176.994 177.300 0.012 0.000 1.226 631 P CA -0.419 62.676 63.100 -0.009 0.000 0.765 631 P CB 0.035 31.732 31.700 -0.005 0.000 0.835 632 C N 1.314 120.626 119.300 0.021 0.000 3.292 632 C HA 0.478 5.193 4.460 0.425 0.000 0.369 632 C C 0.885 175.903 174.990 0.047 0.000 1.664 632 C CA -0.525 58.519 59.018 0.044 0.000 1.204 632 C CB 1.354 29.139 27.740 0.075 0.000 1.978 632 C HN 0.416 nan 8.230 nan 0.000 0.435 633 D N -0.077 120.357 120.400 0.057 0.000 2.394 633 D HA 0.214 5.109 4.640 0.425 0.000 0.226 633 D C 0.111 176.459 176.300 0.079 0.000 0.990 633 D CA 1.347 55.379 54.000 0.053 0.000 0.902 633 D CB 0.905 41.730 40.800 0.042 0.000 1.038 633 D HN 0.471 nan 8.370 nan 0.000 0.499 634 V N 1.265 121.240 119.914 0.101 0.000 2.789 634 V HA 0.344 4.719 4.120 0.425 0.000 0.311 634 V C -1.102 175.119 176.094 0.213 0.000 1.073 634 V CA -1.020 61.362 62.300 0.136 0.000 0.921 634 V CB 2.595 34.475 31.823 0.094 0.000 1.009 634 V HN -0.055 nan 8.190 nan 0.000 0.426 635 F N 3.723 123.706 119.950 0.055 0.000 2.426 635 F HA 0.820 5.603 4.527 0.427 0.000 0.348 635 F C 0.120 175.962 175.800 0.070 0.000 1.124 635 F CA -1.198 56.835 58.000 0.056 0.000 1.008 635 F CB 1.262 40.298 39.000 0.059 0.000 1.139 635 F HN 0.592 nan 8.300 nan 0.000 0.452 636 A N 8.272 130.889 122.820 -0.338 0.000 2.394 636 A HA 0.625 5.200 4.320 0.425 0.000 0.333 636 A C -2.893 174.342 177.584 -0.581 0.000 1.397 636 A CA -1.623 50.181 52.037 -0.389 0.000 0.884 636 A CB -0.166 18.751 19.000 -0.138 0.000 1.147 636 A HN 0.455 nan 8.150 nan 0.000 0.505 637 P HA 0.302 nan 4.420 nan 0.000 0.286 637 P C -0.078 177.102 177.300 -0.201 0.000 1.321 637 P CA -0.082 62.706 63.100 -0.519 0.000 0.790 637 P CB 0.662 32.102 31.700 -0.433 0.000 0.897 638 C N 3.146 122.377 119.300 -0.115 0.000 2.976 638 C HA 0.576 5.291 4.460 0.425 0.000 0.274 638 C C 1.451 176.434 174.990 -0.012 0.000 1.487 638 C CA 0.160 59.148 59.018 -0.050 0.000 1.789 638 C CB -0.836 26.880 27.740 -0.041 0.000 2.771 638 C HN 0.536 nan 8.230 nan 0.000 0.551 639 A N 1.711 124.530 122.820 -0.002 0.000 3.515 639 A HA 0.828 5.403 4.320 0.425 0.000 0.195 639 A C 0.681 178.282 177.584 0.028 0.000 1.726 639 A CA -0.023 52.026 52.037 0.019 0.000 1.882 639 A CB -0.269 18.748 19.000 0.029 0.000 1.472 639 A HN 0.300 nan 8.150 nan 0.000 0.476 640 M N -0.160 119.460 119.600 0.033 0.000 2.055 640 M HA 0.568 5.303 4.480 0.425 0.000 0.279 640 M C 0.369 176.699 176.300 0.049 0.000 1.236 640 M CA 0.243 55.564 55.300 0.035 0.000 1.074 640 M CB -1.009 31.604 32.600 0.021 0.000 1.394 640 M HN 0.607 nan 8.290 nan 0.000 0.492 641 G N -1.540 107.293 108.800 0.054 0.000 2.671 641 G HA2 0.517 4.732 3.960 0.425 0.000 0.275 641 G HA3 0.517 4.732 3.960 0.425 0.000 0.275 641 G C 0.395 175.333 174.900 0.064 0.000 1.368 641 G CA -0.468 44.673 45.100 0.068 0.000 1.044 641 G HN 1.656 nan 8.290 nan 0.000 0.543 642 G N -2.113 106.728 108.800 0.068 0.000 2.203 642 G HA2 -0.233 3.982 3.960 0.425 0.000 0.263 642 G HA3 -0.233 3.982 3.960 0.425 0.000 0.263 642 G C 1.078 176.012 174.900 0.058 0.000 1.012 642 G CA 0.736 45.870 45.100 0.056 0.000 0.749 642 G HN 0.978 nan 8.290 nan 0.000 0.512 643 V N -0.295 119.668 119.914 0.082 0.000 2.427 643 V HA 0.098 4.473 4.120 0.425 0.000 0.248 643 V C 1.671 177.821 176.094 0.093 0.000 1.051 643 V CA 1.770 64.134 62.300 0.107 0.000 1.048 643 V CB -0.029 31.895 31.823 0.169 0.000 0.666 643 V HN 0.491 nan 8.190 nan 0.000 0.456 644 I N 1.301 121.916 120.570 0.075 0.000 2.282 644 I HA 0.164 4.588 4.170 0.425 0.000 0.290 644 I C 0.780 176.899 176.117 0.003 0.000 1.090 644 I CA -0.073 61.247 61.300 0.033 0.000 1.231 644 I CB 0.816 38.820 38.000 0.006 0.000 1.434 644 I HN 0.249 nan 8.210 nan 0.000 0.487 645 T N 0.009 114.566 114.554 0.004 0.000 2.810 645 T HA 0.162 4.767 4.350 0.425 0.000 0.277 645 T C 1.273 175.969 174.700 -0.008 0.000 0.973 645 T CA -0.568 61.532 62.100 0.000 0.000 0.949 645 T CB 1.132 70.001 68.868 0.002 0.000 1.075 645 T HN 0.391 nan 8.240 nan 0.000 0.537 646 T N 0.315 114.866 114.554 -0.004 0.000 2.788 646 T HA -0.072 4.533 4.350 0.425 0.000 0.268 646 T C 1.839 176.533 174.700 -0.009 0.000 1.044 646 T CA 1.207 63.304 62.100 -0.005 0.000 1.139 646 T CB -0.370 68.498 68.868 -0.000 0.000 0.867 646 T HN 0.576 nan 8.240 nan 0.000 0.454 647 E N 0.530 120.725 120.200 -0.009 0.000 2.152 647 E HA 0.003 4.608 4.350 0.425 0.000 0.192 647 E C 2.231 178.817 176.600 -0.023 0.000 0.983 647 E CA 0.317 56.708 56.400 -0.014 0.000 0.818 647 E CB -0.396 29.297 29.700 -0.012 0.000 0.758 647 E HN 0.277 nan 8.360 nan 0.000 0.467 648 V N 0.723 120.621 119.914 -0.027 0.000 2.453 648 V HA -0.176 4.199 4.120 0.425 0.000 0.247 648 V C 2.301 178.365 176.094 -0.050 0.000 1.048 648 V CA 1.468 63.740 62.300 -0.045 0.000 1.049 648 V CB -0.717 31.080 31.823 -0.042 0.000 0.672 648 V HN 0.258 nan 8.190 nan 0.000 0.457 649 A N 0.398 123.198 122.820 -0.033 0.000 1.917 649 A HA -0.250 4.325 4.320 0.425 0.000 0.219 649 A C 2.280 179.851 177.584 -0.022 0.000 1.182 649 A CA 1.849 53.870 52.037 -0.026 0.000 0.633 649 A CB -0.482 18.507 19.000 -0.018 0.000 0.819 649 A HN 0.541 nan 8.150 nan 0.000 0.448 650 R N -0.853 119.635 120.500 -0.020 0.000 2.323 650 R HA -0.006 4.589 4.340 0.425 0.000 0.198 650 R C 1.431 177.716 176.300 -0.026 0.000 0.988 650 R CA 1.323 57.413 56.100 -0.017 0.000 1.041 650 R CB -0.168 30.124 30.300 -0.014 0.000 0.926 650 R HN 0.753 nan 8.270 nan 0.000 0.476 651 T N -3.416 111.115 114.554 -0.038 0.000 2.986 651 T HA 0.220 4.825 4.350 0.425 0.000 0.264 651 T C 0.658 175.319 174.700 -0.065 0.000 0.964 651 T CA -0.382 61.691 62.100 -0.046 0.000 0.895 651 T CB 0.302 69.144 68.868 -0.043 0.000 1.163 651 T HN -0.046 nan 8.240 nan 0.000 0.517 652 L N 2.629 123.802 121.223 -0.083 0.000 2.525 652 L HA 0.169 4.764 4.340 0.425 0.000 0.278 652 L C 0.040 176.859 176.870 -0.084 0.000 1.218 652 L CA 0.328 55.094 54.840 -0.123 0.000 0.878 652 L CB 0.408 42.385 42.059 -0.136 0.000 1.127 652 L HN 0.229 nan 8.230 nan 0.000 0.492 653 D N 3.765 124.110 120.400 -0.092 0.000 2.638 653 D HA 0.289 5.184 4.640 0.425 0.000 0.245 653 D C -0.573 175.710 176.300 -0.028 0.000 1.176 653 D CA -0.107 53.863 54.000 -0.051 0.000 0.996 653 D CB 0.071 40.846 40.800 -0.041 0.000 1.012 653 D HN 0.566 nan 8.370 nan 0.000 0.515 654 C N -1.336 117.959 119.300 -0.008 0.000 3.314 654 C HA 0.667 5.382 4.460 0.425 0.000 0.344 654 C C 1.088 176.099 174.990 0.035 0.000 1.461 654 C CA -0.588 58.447 59.018 0.029 0.000 1.249 654 C CB 1.608 29.391 27.740 0.072 0.000 1.632 654 C HN 0.143 nan 8.230 nan 0.000 0.452 655 S N -0.717 115.013 115.700 0.049 0.000 2.554 655 S HA 0.392 5.117 4.470 0.425 0.000 0.227 655 S C 0.086 174.722 174.600 0.059 0.000 1.050 655 S CA 0.230 58.452 58.200 0.037 0.000 0.927 655 S CB 0.427 63.639 63.200 0.020 0.000 0.859 655 S HN 0.728 nan 8.310 nan 0.000 0.494 656 V N 1.648 121.618 119.914 0.094 0.000 2.876 656 V HA 0.592 4.967 4.120 0.425 0.000 0.312 656 V C -1.203 175.006 176.094 0.193 0.000 1.085 656 V CA -0.627 61.744 62.300 0.119 0.000 0.945 656 V CB 2.254 34.129 31.823 0.087 0.000 1.017 656 V HN -0.003 nan 8.190 nan 0.000 0.428 657 V N 2.789 122.842 119.914 0.232 0.000 2.447 657 V HA 0.876 5.251 4.120 0.425 0.000 0.292 657 V C -0.191 176.018 176.094 0.192 0.000 1.021 657 V CA -0.304 62.178 62.300 0.302 0.000 0.850 657 V CB 1.453 33.571 31.823 0.491 0.000 1.005 657 V HN 1.057 nan 8.190 nan 0.000 0.426 658 A N 3.585 126.449 122.820 0.073 0.000 2.429 658 A HA 0.978 5.553 4.320 0.425 0.000 0.289 658 A C -0.134 177.414 177.584 -0.060 0.000 1.043 658 A CA 0.175 52.208 52.037 -0.006 0.000 0.722 658 A CB 1.751 20.754 19.000 0.006 0.000 1.243 658 A HN 1.231 nan 8.150 nan 0.000 0.415 659 G N -0.521 108.237 108.800 -0.070 0.000 2.706 659 G HA2 0.698 4.913 3.960 0.425 0.000 0.307 659 G HA3 0.698 4.913 3.960 0.425 0.000 0.307 659 G C 0.293 175.165 174.900 -0.047 0.000 1.307 659 G CA 0.223 45.270 45.100 -0.088 0.000 0.790 659 G HN 1.535 nan 8.290 nan 0.000 0.503 660 A N -1.179 121.619 122.820 -0.037 0.000 2.167 660 A HA 0.745 5.320 4.320 0.425 0.000 0.208 660 A C 1.545 179.141 177.584 0.021 0.000 1.198 660 A CA 1.402 53.435 52.037 -0.007 0.000 0.863 660 A CB -0.525 18.469 19.000 -0.009 0.000 0.904 660 A HN 1.949 nan 8.150 nan 0.000 0.484 661 A N 0.812 123.643 122.820 0.018 0.000 2.507 661 A HA 0.344 4.919 4.320 0.425 0.000 0.235 661 A C 0.063 177.696 177.584 0.082 0.000 1.070 661 A CA -0.060 52.005 52.037 0.046 0.000 0.768 661 A CB -0.056 18.968 19.000 0.039 0.000 1.011 661 A HN 0.430 nan 8.150 nan 0.000 0.502 662 N N 1.401 120.156 118.700 0.092 0.000 2.498 662 N HA 0.179 5.174 4.740 0.425 0.000 0.287 662 N C -0.585 174.996 175.510 0.119 0.000 1.097 662 N CA -0.056 53.064 53.050 0.116 0.000 0.973 662 N CB 0.769 39.321 38.487 0.107 0.000 1.153 662 N HN 0.598 nan 8.380 nan 0.000 0.472 663 N N 0.578 119.365 118.700 0.144 0.000 2.696 663 N HA -0.148 4.847 4.740 0.425 0.000 0.256 663 N C 0.999 176.582 175.510 0.121 0.000 1.031 663 N CA 0.222 53.350 53.050 0.129 0.000 0.730 663 N CB -1.380 37.163 38.487 0.093 0.000 0.894 663 N HN 0.282 nan 8.380 nan 0.000 0.544 664 V N -0.117 119.891 119.914 0.157 0.000 2.343 664 V HA -0.128 4.247 4.120 0.425 0.000 0.247 664 V C 1.436 177.571 176.094 0.069 0.000 1.051 664 V CA 1.161 63.539 62.300 0.131 0.000 1.036 664 V CB -0.016 31.936 31.823 0.214 0.000 0.654 664 V HN 0.437 nan 8.190 nan 0.000 0.451 665 I N 0.821 121.409 120.570 0.030 0.000 2.363 665 I HA 0.182 4.607 4.170 0.425 0.000 0.292 665 I C 1.361 177.487 176.117 0.015 0.000 1.075 665 I CA 0.359 61.641 61.300 -0.029 0.000 1.333 665 I CB 0.214 38.170 38.000 -0.073 0.000 1.415 665 I HN 0.139 nan 8.210 nan 0.000 0.502 666 A N 6.468 129.295 122.820 0.013 0.000 1.873 666 A HA -0.109 4.466 4.320 0.425 0.000 0.215 666 A C 0.470 178.066 177.584 0.020 0.000 1.186 666 A CA 1.183 53.233 52.037 0.022 0.000 0.616 666 A CB -0.332 18.682 19.000 0.023 0.000 0.823 666 A HN 0.798 nan 8.150 nan 0.000 0.442 667 D N -3.138 117.268 120.400 0.011 0.000 2.527 667 D HA 0.398 5.293 4.640 0.425 0.000 0.233 667 D C 0.315 176.621 176.300 0.011 0.000 1.063 667 D CA -0.197 53.811 54.000 0.014 0.000 0.880 667 D CB 1.176 41.983 40.800 0.012 0.000 1.457 667 D HN 0.225 nan 8.370 nan 0.000 0.475 668 E N 1.067 121.278 120.200 0.019 0.000 2.130 668 E HA -0.307 4.298 4.350 0.425 0.000 0.196 668 E C 1.727 178.338 176.600 0.018 0.000 0.998 668 E CA 1.575 57.988 56.400 0.022 0.000 0.806 668 E CB -0.185 29.530 29.700 0.026 0.000 0.738 668 E HN 0.543 nan 8.360 nan 0.000 0.459 669 A N 1.113 123.942 122.820 0.015 0.000 1.933 669 A HA -0.059 4.516 4.320 0.425 0.000 0.218 669 A C 2.451 180.042 177.584 0.012 0.000 1.175 669 A CA 1.715 53.762 52.037 0.016 0.000 0.628 669 A CB -0.877 18.131 19.000 0.014 0.000 0.814 669 A HN 0.462 nan 8.150 nan 0.000 0.444 670 A N 0.067 122.886 122.820 -0.000 0.000 1.865 670 A HA -0.185 4.390 4.320 0.425 0.000 0.217 670 A C 2.550 180.123 177.584 -0.019 0.000 1.191 670 A CA 2.567 54.596 52.037 -0.014 0.000 0.623 670 A CB -1.182 17.800 19.000 -0.030 0.000 0.826 670 A HN 0.989 nan 8.150 nan 0.000 0.444 671 S N 0.046 115.729 115.700 -0.028 0.000 2.400 671 S HA -0.224 4.501 4.470 0.425 0.000 0.232 671 S C 1.435 176.062 174.600 0.046 0.000 1.025 671 S CA 1.857 60.044 58.200 -0.021 0.000 0.993 671 S CB -0.614 62.581 63.200 -0.010 0.000 0.808 671 S HN 0.565 nan 8.310 nan 0.000 0.478 672 D N 1.110 121.539 120.400 0.048 0.000 2.183 672 D HA 0.067 4.962 4.640 0.425 0.000 0.203 672 D C 1.904 178.266 176.300 0.102 0.000 0.969 672 D CA 1.013 55.063 54.000 0.082 0.000 0.842 672 D CB -0.329 40.507 40.800 0.061 0.000 0.957 672 D HN 0.497 nan 8.370 nan 0.000 0.484 673 I N 0.759 121.365 120.570 0.061 0.000 2.202 673 I HA -0.206 4.219 4.170 0.425 0.000 0.242 673 I C 2.504 178.655 176.117 0.057 0.000 1.091 673 I CA 0.622 61.950 61.300 0.047 0.000 1.368 673 I CB -0.135 37.877 38.000 0.021 0.000 1.058 673 I HN -0.063 nan 8.210 nan 0.000 0.410 674 L N -0.185 121.075 121.223 0.062 0.000 2.012 674 L HA -0.304 4.291 4.340 0.425 0.000 0.210 674 L C 2.751 179.689 176.870 0.114 0.000 1.073 674 L CA 1.727 56.610 54.840 0.073 0.000 0.748 674 L CB -0.925 41.178 42.059 0.074 0.000 0.891 674 L HN 0.328 nan 8.230 nan 0.000 0.431 675 H N -0.068 119.029 119.070 0.045 0.000 2.289 675 H HA -0.195 4.616 4.556 0.426 0.000 0.296 675 H C 2.140 177.488 175.328 0.033 0.000 1.091 675 H CA 1.889 57.968 56.048 0.052 0.000 1.274 675 H CB -0.059 29.742 29.762 0.066 0.000 1.364 675 H HN 0.328 nan 8.280 nan 0.000 0.490 676 A N 0.503 123.361 122.820 0.063 0.000 1.972 676 A HA -0.147 4.428 4.320 0.425 0.000 0.219 676 A C 2.244 179.808 177.584 -0.034 0.000 1.169 676 A CA 1.557 53.593 52.037 -0.002 0.000 0.635 676 A CB -0.321 18.697 19.000 0.030 0.000 0.810 676 A HN 0.450 nan 8.150 nan 0.000 0.446 677 R N -1.296 119.194 120.500 -0.017 0.000 2.313 677 R HA 0.161 4.756 4.340 0.425 0.000 0.199 677 R C 1.066 177.344 176.300 -0.037 0.000 0.958 677 R CA 0.500 56.588 56.100 -0.020 0.000 1.047 677 R CB -0.180 30.119 30.300 -0.003 0.000 0.955 677 R HN 0.688 nan 8.270 nan 0.000 0.481 678 G N 1.675 110.431 108.800 -0.073 0.000 2.160 678 G HA2 -0.253 3.962 3.960 0.425 0.000 0.244 678 G HA3 -0.253 3.962 3.960 0.425 0.000 0.244 678 G C 0.013 174.890 174.900 -0.038 0.000 1.022 678 G CA -0.204 44.848 45.100 -0.081 0.000 0.741 678 G HN 0.264 nan 8.290 nan 0.000 0.508 679 I N 0.362 120.930 120.570 -0.002 0.000 2.354 679 I HA 0.356 4.781 4.170 0.425 0.000 0.286 679 I C 0.132 176.314 176.117 0.108 0.000 1.007 679 I CA -1.081 60.251 61.300 0.053 0.000 1.167 679 I CB 1.500 39.542 38.000 0.070 0.000 1.320 679 I HN 0.028 nan 8.210 nan 0.000 0.458 680 L N 8.611 129.883 121.223 0.081 0.000 2.342 680 L HA 0.217 4.812 4.340 0.425 0.000 0.285 680 L C -0.803 176.184 176.870 0.196 0.000 1.095 680 L CA 0.059 54.946 54.840 0.077 0.000 0.843 680 L CB -0.072 41.915 42.059 -0.121 0.000 1.201 680 L HN 0.385 nan 8.230 nan 0.000 0.445 681 Y N 4.941 125.333 120.300 0.153 0.000 2.330 681 Y HA 0.685 5.490 4.550 0.425 0.000 0.336 681 Y C -0.194 175.854 175.900 0.247 0.000 1.036 681 Y CA -1.140 57.065 58.100 0.175 0.000 1.125 681 Y CB 1.320 39.874 38.460 0.157 0.000 1.194 681 Y HN 0.691 nan 8.280 nan 0.000 0.469 682 A N 8.452 131.073 122.820 -0.332 0.000 2.260 682 A HA 0.553 5.128 4.320 0.425 0.000 0.308 682 A C -2.716 174.310 177.584 -0.930 0.000 1.254 682 A CA -1.975 49.836 52.037 -0.376 0.000 0.874 682 A CB -0.289 18.590 19.000 -0.202 0.000 1.153 682 A HN 0.645 nan 8.150 nan 0.000 0.527 683 P HA -0.021 nan 4.420 nan 0.000 0.258 683 P C 0.005 177.034 177.300 -0.453 0.000 1.172 683 P CA 0.351 63.074 63.100 -0.628 0.000 0.762 683 P CB 0.545 31.943 31.700 -0.503 0.000 0.764 684 D N 3.980 124.304 120.400 -0.127 0.000 2.149 684 D HA -0.287 4.608 4.640 0.425 0.000 0.194 684 D C 1.311 177.644 176.300 0.055 0.000 1.001 684 D CA 1.695 55.718 54.000 0.039 0.000 0.849 684 D CB -1.431 39.504 40.800 0.225 0.000 0.939 684 D HN 0.506 nan 8.370 nan 0.000 0.449 685 F N -0.316 119.634 119.950 0.001 0.000 2.604 685 F HA 0.171 4.950 4.527 0.419 0.000 0.298 685 F C 1.654 177.441 175.800 -0.022 0.000 1.131 685 F CA 0.039 58.043 58.000 0.007 0.000 1.457 685 F CB -0.546 38.473 39.000 0.031 0.000 1.095 685 F HN -0.054 nan 8.300 nan 0.000 0.574 686 V N 0.551 120.194 119.914 -0.451 0.000 2.521 686 V HA 0.136 4.511 4.120 0.425 0.000 0.239 686 V C 2.788 178.751 176.094 -0.219 0.000 1.053 686 V CA 1.079 63.146 62.300 -0.388 0.000 1.073 686 V CB -0.895 30.599 31.823 -0.547 0.000 0.746 686 V HN 0.389 nan 8.190 nan 0.000 0.476 687 A N 2.199 124.878 122.820 -0.234 0.000 1.883 687 A HA -0.241 4.334 4.320 0.425 0.000 0.217 687 A C 1.775 179.311 177.584 -0.080 0.000 1.186 687 A CA 2.391 54.333 52.037 -0.159 0.000 0.624 687 A CB -0.835 18.062 19.000 -0.172 0.000 0.822 687 A HN 0.755 nan 8.150 nan 0.000 0.444 688 N N -0.050 118.624 118.700 -0.042 0.000 2.322 688 N HA 0.351 5.346 4.740 0.425 0.000 0.216 688 N C 0.716 176.241 175.510 0.026 0.000 1.144 688 N CA 0.792 53.843 53.050 0.001 0.000 0.830 688 N CB -0.283 38.221 38.487 0.029 0.000 1.034 688 N HN 0.293 nan 8.380 nan 0.000 0.484 689 A N -0.504 122.326 122.820 0.017 0.000 2.235 689 A HA 0.299 4.874 4.320 0.425 0.000 0.208 689 A C 2.036 179.654 177.584 0.058 0.000 1.172 689 A CA 0.492 52.557 52.037 0.047 0.000 0.786 689 A CB -0.903 18.128 19.000 0.050 0.000 0.804 689 A HN 0.411 nan 8.150 nan 0.000 0.479 690 G N 0.187 109.012 108.800 0.042 0.000 2.422 690 G HA2 -0.030 4.185 3.960 0.425 0.000 0.218 690 G HA3 -0.030 4.185 3.960 0.425 0.000 0.218 690 G C 1.471 176.434 174.900 0.106 0.000 1.146 690 G CA 1.120 46.260 45.100 0.067 0.000 0.769 690 G HN 0.600 nan 8.290 nan 0.000 0.547 691 G N 1.141 109.990 108.800 0.082 0.000 2.440 691 G HA2 0.012 4.227 3.960 0.425 0.000 0.218 691 G HA3 0.012 4.227 3.960 0.425 0.000 0.218 691 G C 2.048 177.027 174.900 0.131 0.000 1.154 691 G CA 1.565 46.722 45.100 0.095 0.000 0.767 691 G HN 0.639 nan 8.290 nan 0.000 0.552 692 A N 0.611 123.495 122.820 0.107 0.000 1.898 692 A HA 0.076 4.651 4.320 0.425 0.000 0.216 692 A C 2.393 180.005 177.584 0.047 0.000 1.181 692 A CA 1.258 53.344 52.037 0.081 0.000 0.620 692 A CB -0.362 18.689 19.000 0.086 0.000 0.819 692 A HN 0.359 nan 8.150 nan 0.000 0.442 693 I N -1.243 119.382 120.570 0.092 0.000 2.264 693 I HA -0.304 4.121 4.170 0.425 0.000 0.248 693 I C 2.440 178.625 176.117 0.113 0.000 1.111 693 I CA 1.906 63.278 61.300 0.119 0.000 1.382 693 I CB -0.361 37.751 38.000 0.187 0.000 1.060 693 I HN 0.606 nan 8.210 nan 0.000 0.418 694 H N 0.715 119.816 119.070 0.051 0.000 2.293 694 H HA -0.119 4.688 4.556 0.419 0.000 0.300 694 H C 2.172 177.463 175.328 -0.063 0.000 1.082 694 H CA 1.800 57.871 56.048 0.038 0.000 1.308 694 H CB 0.057 29.862 29.762 0.072 0.000 1.375 694 H HN 0.166 nan 8.280 nan 0.000 0.495 695 L N -0.547 120.703 121.223 0.044 0.000 2.023 695 L HA -0.123 4.472 4.340 0.425 0.000 0.205 695 L C 2.521 179.062 176.870 -0.547 0.000 1.073 695 L CA 1.049 55.780 54.840 -0.183 0.000 0.745 695 L CB -0.369 41.613 42.059 -0.129 0.000 0.900 695 L HN 0.231 nan 8.230 nan 0.000 0.435 696 V N 0.205 119.818 119.914 -0.501 0.000 2.270 696 V HA -0.175 4.200 4.120 0.425 0.000 0.245 696 V C 2.660 178.404 176.094 -0.585 0.000 1.043 696 V CA 1.933 63.879 62.300 -0.590 0.000 1.014 696 V CB -1.521 30.064 31.823 -0.396 0.000 0.645 696 V HN 0.549 nan 8.190 nan 0.000 0.447 697 G N 0.309 108.809 108.800 -0.501 0.000 2.586 697 G HA2 -0.280 3.935 3.960 0.425 0.000 0.218 697 G HA3 -0.280 3.935 3.960 0.425 0.000 0.218 697 G C 1.724 176.354 174.900 -0.450 0.000 1.216 697 G CA 1.092 45.808 45.100 -0.641 0.000 0.786 697 G HN 0.389 nan 8.290 nan 0.000 0.583 698 R N 0.491 120.815 120.500 -0.294 0.000 2.061 698 R HA -0.028 4.567 4.340 0.425 0.000 0.230 698 R C 2.619 178.760 176.300 -0.265 0.000 1.140 698 R CA 1.556 57.505 56.100 -0.251 0.000 0.940 698 R CB -0.591 29.505 30.300 -0.339 0.000 0.839 698 R HN 0.558 nan 8.270 nan 0.000 0.429 699 E N 0.282 120.277 120.200 -0.342 0.000 2.046 699 E HA -0.091 4.513 4.350 0.425 0.000 0.190 699 E C 2.192 178.610 176.600 -0.303 0.000 0.982 699 E CA 1.088 57.317 56.400 -0.285 0.000 0.800 699 E CB -0.044 29.512 29.700 -0.240 0.000 0.756 699 E HN 0.053 nan 8.360 nan 0.000 0.449 700 V N 1.407 121.045 119.914 -0.459 0.000 2.302 700 V HA -0.147 4.228 4.120 0.425 0.000 0.243 700 V C 2.166 178.043 176.094 -0.361 0.000 1.036 700 V CA 1.268 63.328 62.300 -0.399 0.000 1.020 700 V CB -0.198 31.356 31.823 -0.449 0.000 0.657 700 V HN 0.207 nan 8.190 nan 0.000 0.453 701 L N 0.131 121.054 121.223 -0.499 0.000 2.529 701 L HA 0.313 4.908 4.340 0.425 0.000 0.223 701 L C 1.662 178.330 176.870 -0.335 0.000 1.113 701 L CA 0.817 55.332 54.840 -0.541 0.000 0.861 701 L CB -0.407 40.966 42.059 -1.142 0.000 1.012 701 L HN 0.570 nan 8.230 nan 0.000 0.461 702 G N -0.764 107.888 108.800 -0.247 0.000 2.198 702 G HA2 -0.257 3.958 3.960 0.425 0.000 0.260 702 G HA3 -0.257 3.958 3.960 0.425 0.000 0.260 702 G C -0.210 174.734 174.900 0.074 0.000 1.025 702 G CA -0.377 44.675 45.100 -0.080 0.000 0.769 702 G HN 0.156 nan 8.290 nan 0.000 0.507 703 W N 1.635 122.862 121.300 -0.122 0.000 2.190 703 W HA 0.547 5.495 4.660 0.479 0.000 0.330 703 W C 1.416 177.857 176.519 -0.130 0.000 1.299 703 W CA -0.608 56.667 57.345 -0.116 0.000 1.215 703 W CB 0.450 29.834 29.460 -0.127 0.000 1.147 703 W HN 0.556 nan 8.180 nan 0.000 0.563 704 S N 0.911 116.652 115.700 0.068 0.000 2.617 704 S HA -0.010 4.715 4.470 0.425 0.000 0.255 704 S C 1.106 175.661 174.600 -0.075 0.000 1.318 704 S CA -0.034 58.155 58.200 -0.018 0.000 0.978 704 S CB 0.706 63.881 63.200 -0.042 0.000 0.961 704 S HN 0.555 nan 8.310 nan 0.000 0.582 705 E N 0.489 120.615 120.200 -0.122 0.000 2.106 705 E HA -0.096 4.509 4.350 0.425 0.000 0.192 705 E C 2.057 178.435 176.600 -0.371 0.000 0.984 705 E CA 1.486 57.733 56.400 -0.255 0.000 0.806 705 E CB -0.298 29.303 29.700 -0.164 0.000 0.750 705 E HN 0.716 nan 8.360 nan 0.000 0.458 706 S N -0.125 115.473 115.700 -0.170 0.000 2.344 706 S HA -0.180 4.545 4.470 0.425 0.000 0.217 706 S C 2.126 176.669 174.600 -0.096 0.000 1.033 706 S CA 1.278 59.430 58.200 -0.079 0.000 1.017 706 S CB -0.709 62.462 63.200 -0.049 0.000 0.941 706 S HN 0.128 nan 8.310 nan 0.000 0.430 707 V N 2.094 121.912 119.914 -0.161 0.000 2.233 707 V HA -0.235 4.140 4.120 0.425 0.000 0.252 707 V C 2.470 178.419 176.094 -0.243 0.000 1.063 707 V CA 1.978 64.109 62.300 -0.282 0.000 1.032 707 V CB -1.105 30.453 31.823 -0.442 0.000 0.645 707 V HN 0.354 nan 8.190 nan 0.000 0.446 708 V N -0.293 119.544 119.914 -0.128 0.000 2.252 708 V HA -0.374 4.001 4.120 0.425 0.000 0.249 708 V C 2.254 178.396 176.094 0.079 0.000 1.056 708 V CA 2.713 65.030 62.300 0.028 0.000 1.022 708 V CB -0.941 30.890 31.823 0.012 0.000 0.641 708 V HN 0.703 nan 8.190 nan 0.000 0.445 709 H N -0.620 118.479 119.070 0.049 0.000 2.319 709 H HA -0.231 4.580 4.556 0.425 0.000 0.297 709 H C 2.453 177.781 175.328 0.001 0.000 1.097 709 H CA 1.663 57.742 56.048 0.051 0.000 1.285 709 H CB 0.046 29.865 29.762 0.094 0.000 1.368 709 H HN 0.497 nan 8.280 nan 0.000 0.495 710 E N 0.861 121.104 120.200 0.072 0.000 2.150 710 E HA -0.160 4.445 4.350 0.425 0.000 0.193 710 E C 2.036 178.611 176.600 -0.042 0.000 0.985 710 E CA 0.387 56.784 56.400 -0.005 0.000 0.814 710 E CB 0.237 29.901 29.700 -0.061 0.000 0.752 710 E HN 0.322 nan 8.360 nan 0.000 0.466 711 R N -0.115 120.344 120.500 -0.069 0.000 2.115 711 R HA -0.006 4.589 4.340 0.425 0.000 0.226 711 R C 2.129 178.434 176.300 0.009 0.000 1.100 711 R CA 0.978 57.041 56.100 -0.063 0.000 0.980 711 R CB -0.455 29.805 30.300 -0.066 0.000 0.875 711 R HN 0.178 nan 8.270 nan 0.000 0.445 712 A N 0.456 123.304 122.820 0.045 0.000 2.014 712 A HA -0.041 4.534 4.320 0.425 0.000 0.218 712 A C 2.295 179.879 177.584 0.001 0.000 1.163 712 A CA 0.900 52.963 52.037 0.044 0.000 0.652 712 A CB -0.179 18.869 19.000 0.081 0.000 0.808 712 A HN 0.080 nan 8.150 nan 0.000 0.449 713 V N -0.476 119.436 119.914 -0.002 0.000 2.719 713 V HA -0.089 4.286 4.120 0.425 0.000 0.252 713 V C 2.736 178.804 176.094 -0.043 0.000 1.065 713 V CA 1.390 63.676 62.300 -0.023 0.000 1.086 713 V CB -0.634 31.184 31.823 -0.009 0.000 0.700 713 V HN 0.558 nan 8.190 nan 0.000 0.467 714 A N -0.498 122.299 122.820 -0.039 0.000 2.239 714 A HA -0.000 4.575 4.320 0.425 0.000 0.209 714 A C 2.027 179.573 177.584 -0.063 0.000 1.171 714 A CA 0.761 52.768 52.037 -0.050 0.000 0.768 714 A CB -0.590 18.383 19.000 -0.046 0.000 0.790 714 A HN 0.525 nan 8.150 nan 0.000 0.478 715 I N -0.482 120.049 120.570 -0.065 0.000 2.361 715 I HA -0.199 4.226 4.170 0.425 0.000 0.251 715 I C 2.594 178.631 176.117 -0.133 0.000 1.133 715 I CA 1.065 62.309 61.300 -0.092 0.000 1.413 715 I CB -0.239 37.709 38.000 -0.085 0.000 1.073 715 I HN 0.420 nan 8.210 nan 0.000 0.424 716 G N 0.278 109.007 108.800 -0.117 0.000 2.422 716 G HA2 -0.341 3.874 3.960 0.425 0.000 0.218 716 G HA3 -0.341 3.874 3.960 0.425 0.000 0.218 716 G C 1.288 176.111 174.900 -0.129 0.000 1.146 716 G CA 1.219 46.243 45.100 -0.127 0.000 0.769 716 G HN 0.398 nan 8.290 nan 0.000 0.547 717 D N 0.273 120.610 120.400 -0.105 0.000 2.097 717 D HA -0.094 4.801 4.640 0.425 0.000 0.197 717 D C 2.540 178.761 176.300 -0.131 0.000 0.984 717 D CA 1.735 55.678 54.000 -0.094 0.000 0.826 717 D CB -0.501 40.259 40.800 -0.066 0.000 0.973 717 D HN 0.197 nan 8.370 nan 0.000 0.460 718 T N 0.570 115.037 114.554 -0.145 0.000 2.685 718 T HA -0.176 4.429 4.350 0.425 0.000 0.268 718 T C 2.048 176.581 174.700 -0.279 0.000 1.034 718 T CA 1.180 63.175 62.100 -0.176 0.000 1.149 718 T CB -0.427 68.338 68.868 -0.171 0.000 0.860 718 T HN 0.182 nan 8.240 nan 0.000 0.449 719 L N 0.681 121.687 121.223 -0.362 0.000 2.046 719 L HA -0.143 4.452 4.340 0.425 0.000 0.208 719 L C 2.433 178.909 176.870 -0.656 0.000 1.077 719 L CA 1.508 55.958 54.840 -0.651 0.000 0.747 719 L CB -0.672 40.992 42.059 -0.659 0.000 0.896 719 L HN 0.380 nan 8.230 nan 0.000 0.432 720 N N -0.757 117.758 118.700 -0.308 0.000 2.166 720 N HA -0.227 4.768 4.740 0.425 0.000 0.186 720 N C 1.784 177.211 175.510 -0.137 0.000 1.019 720 N CA 1.075 54.038 53.050 -0.145 0.000 0.856 720 N CB -0.011 38.460 38.487 -0.027 0.000 0.993 720 N HN 0.450 nan 8.380 nan 0.000 0.426 721 Q N 0.249 119.956 119.800 -0.154 0.000 2.172 721 Q HA -0.046 4.549 4.340 0.425 0.000 0.200 721 Q C 2.102 178.026 176.000 -0.128 0.000 0.964 721 Q CA 0.874 56.614 55.803 -0.103 0.000 0.855 721 Q CB -0.010 28.677 28.738 -0.084 0.000 0.918 721 Q HN 0.233 nan 8.270 nan 0.000 0.444 722 V N 0.697 120.460 119.914 -0.252 0.000 2.295 722 V HA -0.234 4.141 4.120 0.425 0.000 0.246 722 V C 1.939 177.959 176.094 -0.123 0.000 1.049 722 V CA 1.674 63.821 62.300 -0.256 0.000 1.024 722 V CB -0.561 30.994 31.823 -0.446 0.000 0.648 722 V HN 0.247 nan 8.190 nan 0.000 0.447 723 F N 0.671 120.496 119.950 -0.207 0.000 2.216 723 F HA -0.124 4.660 4.527 0.428 0.000 0.300 723 F C 2.471 178.178 175.800 -0.155 0.000 1.085 723 F CA 1.414 59.233 58.000 -0.302 0.000 1.326 723 F CB -0.868 37.667 39.000 -0.775 0.000 1.027 723 F HN 0.347 nan 8.300 nan 0.000 0.497 724 E N 0.771 121.015 120.200 0.073 0.000 2.047 724 E HA -0.186 4.419 4.350 0.425 0.000 0.191 724 E C 2.242 178.891 176.600 0.083 0.000 0.987 724 E CA 1.452 57.910 56.400 0.097 0.000 0.799 724 E CB -0.281 29.461 29.700 0.070 0.000 0.752 724 E HN 0.398 nan 8.360 nan 0.000 0.449 725 I N 1.182 121.782 120.570 0.050 0.000 2.133 725 I HA -0.262 4.163 4.170 0.425 0.000 0.238 725 I C 2.900 179.055 176.117 0.064 0.000 1.074 725 I CA 1.269 62.596 61.300 0.044 0.000 1.342 725 I CB -0.577 37.434 38.000 0.019 0.000 1.053 725 I HN 0.195 nan 8.210 nan 0.000 0.404 726 S N 0.811 116.558 115.700 0.079 0.000 2.380 726 S HA -0.286 4.439 4.470 0.425 0.000 0.229 726 S C 1.757 176.431 174.600 0.122 0.000 1.043 726 S CA 2.233 60.487 58.200 0.090 0.000 1.038 726 S CB -0.430 62.842 63.200 0.120 0.000 0.872 726 S HN 0.374 nan 8.310 nan 0.000 0.456 727 D N 0.970 121.458 120.400 0.147 0.000 2.183 727 D HA 0.036 4.931 4.640 0.425 0.000 0.203 727 D C 1.941 178.305 176.300 0.105 0.000 0.969 727 D CA 0.757 54.847 54.000 0.149 0.000 0.842 727 D CB -0.479 40.428 40.800 0.178 0.000 0.957 727 D HN 0.423 nan 8.370 nan 0.000 0.484 728 N N 0.643 119.395 118.700 0.087 0.000 2.132 728 N HA -0.087 4.908 4.740 0.425 0.000 0.187 728 N C 1.049 176.592 175.510 0.056 0.000 1.038 728 N CA 0.930 54.018 53.050 0.064 0.000 0.846 728 N CB -0.229 38.290 38.487 0.053 0.000 1.012 728 N HN 0.096 nan 8.380 nan 0.000 0.429 729 D N -0.460 119.971 120.400 0.053 0.000 2.347 729 D HA 0.125 5.020 4.640 0.425 0.000 0.215 729 D C 0.773 177.103 176.300 0.051 0.000 0.976 729 D CA 0.597 54.624 54.000 0.045 0.000 0.884 729 D CB -0.189 40.633 40.800 0.037 0.000 0.915 729 D HN 0.372 nan 8.370 nan 0.000 0.526 730 G N 0.751 109.593 108.800 0.069 0.000 2.182 730 G HA2 -0.213 4.002 3.960 0.425 0.000 0.248 730 G HA3 -0.213 4.002 3.960 0.425 0.000 0.248 730 G C 0.431 175.370 174.900 0.066 0.000 1.042 730 G CA 0.533 45.684 45.100 0.085 0.000 0.775 730 G HN 0.421 nan 8.290 nan 0.000 0.501 731 V N -2.566 117.368 119.914 0.034 0.000 3.093 731 V HA 0.954 5.329 4.120 0.425 0.000 0.320 731 V C 0.987 176.990 176.094 -0.152 0.000 1.093 731 V CA -0.109 62.178 62.300 -0.021 0.000 1.016 731 V CB 1.280 33.103 31.823 0.000 0.000 1.096 731 V HN 1.089 nan 8.190 nan 0.000 0.452 732 T N -1.128 113.298 114.554 -0.214 0.000 2.813 732 T HA 0.349 4.954 4.350 0.425 0.000 0.297 732 T C -1.795 172.827 174.700 -0.129 0.000 1.036 732 T CA -0.920 60.949 62.100 -0.384 0.000 1.044 732 T CB 0.724 69.484 68.868 -0.180 0.000 0.993 732 T HN 0.597 nan 8.240 nan 0.000 0.535 733 P HA -0.021 nan 4.420 nan 0.000 0.216 733 P C 1.157 178.503 177.300 0.077 0.000 1.153 733 P CA 1.004 64.159 63.100 0.093 0.000 0.848 733 P CB -0.077 31.769 31.700 0.243 0.000 0.787 734 D N -0.297 120.196 120.400 0.155 0.000 2.106 734 D HA -0.210 4.685 4.640 0.425 0.000 0.191 734 D C 1.985 178.396 176.300 0.184 0.000 0.997 734 D CA 1.319 55.455 54.000 0.227 0.000 0.834 734 D CB -0.270 40.704 40.800 0.289 0.000 0.956 734 D HN 0.125 nan 8.370 nan 0.000 0.448 735 E N -0.676 119.587 120.200 0.105 0.000 2.047 735 E HA -0.160 4.445 4.350 0.425 0.000 0.191 735 E C 2.132 178.778 176.600 0.076 0.000 0.987 735 E CA 0.775 57.225 56.400 0.083 0.000 0.799 735 E CB -0.185 29.540 29.700 0.042 0.000 0.752 735 E HN 0.360 nan 8.360 nan 0.000 0.449 736 A N 1.370 124.218 122.820 0.046 0.000 1.917 736 A HA -0.257 4.318 4.320 0.425 0.000 0.219 736 A C 2.360 179.958 177.584 0.022 0.000 1.182 736 A CA 2.106 54.159 52.037 0.027 0.000 0.633 736 A CB -0.802 18.210 19.000 0.020 0.000 0.819 736 A HN 0.367 nan 8.150 nan 0.000 0.448 737 A N -0.566 122.268 122.820 0.024 0.000 1.877 737 A HA -0.175 4.400 4.320 0.425 0.000 0.216 737 A C 2.224 179.938 177.584 0.217 0.000 1.186 737 A CA 1.743 53.782 52.037 0.004 0.000 0.620 737 A CB -0.475 18.411 19.000 -0.190 0.000 0.822 737 A HN 0.534 nan 8.150 nan 0.000 0.443 738 R N -1.216 119.467 120.500 0.304 0.000 2.105 738 R HA -0.096 4.499 4.340 0.425 0.000 0.239 738 R C 2.309 178.681 176.300 0.120 0.000 1.135 738 R CA 1.835 58.071 56.100 0.225 0.000 0.967 738 R CB -0.630 29.751 30.300 0.136 0.000 0.861 738 R HN 0.528 nan 8.270 nan 0.000 0.442 739 T N 0.828 115.434 114.554 0.086 0.000 2.746 739 T HA -0.106 4.499 4.350 0.425 0.000 0.267 739 T C 1.553 176.279 174.700 0.043 0.000 1.039 739 T CA 1.059 63.190 62.100 0.051 0.000 1.142 739 T CB -0.115 68.775 68.868 0.036 0.000 0.866 739 T HN 0.069 nan 8.240 nan 0.000 0.444 740 L N 1.096 122.342 121.223 0.039 0.000 2.109 740 L HA 0.209 4.804 4.340 0.425 0.000 0.207 740 L C 2.520 179.416 176.870 0.043 0.000 1.086 740 L CA 1.601 56.453 54.840 0.021 0.000 0.760 740 L CB -0.851 41.198 42.059 -0.017 0.000 0.910 740 L HN 0.196 nan 8.230 nan 0.000 0.437 741 A N -0.531 122.343 122.820 0.090 0.000 1.933 741 A HA -0.080 4.495 4.320 0.425 0.000 0.218 741 A C 2.329 179.950 177.584 0.063 0.000 1.175 741 A CA 1.489 53.589 52.037 0.104 0.000 0.628 741 A CB -1.514 17.587 19.000 0.167 0.000 0.814 741 A HN 0.505 nan 8.150 nan 0.000 0.444 742 G N -0.736 108.096 108.800 0.053 0.000 2.422 742 G HA2 -0.207 4.008 3.960 0.425 0.000 0.218 742 G HA3 -0.207 4.008 3.960 0.425 0.000 0.218 742 G C 1.784 176.698 174.900 0.024 0.000 1.146 742 G CA 0.849 45.968 45.100 0.032 0.000 0.769 742 G HN 0.560 nan 8.290 nan 0.000 0.547 743 R N -0.179 120.336 120.500 0.024 0.000 2.090 743 R HA 0.088 4.683 4.340 0.425 0.000 0.228 743 R C 2.764 179.074 176.300 0.016 0.000 1.110 743 R CA 0.721 56.831 56.100 0.017 0.000 0.973 743 R CB -0.170 30.139 30.300 0.014 0.000 0.869 743 R HN 0.259 nan 8.270 nan 0.000 0.440 744 R N 0.119 120.632 120.500 0.021 0.000 2.148 744 R HA 0.029 4.624 4.340 0.425 0.000 0.223 744 R C 1.939 178.252 176.300 0.022 0.000 1.088 744 R CA 1.073 57.186 56.100 0.021 0.000 0.985 744 R CB -0.062 30.252 30.300 0.024 0.000 0.880 744 R HN 0.133 nan 8.270 nan 0.000 0.451 745 A N 1.213 124.047 122.820 0.024 0.000 2.235 745 A HA -0.047 4.528 4.320 0.425 0.000 0.208 745 A C 0.414 178.006 177.584 0.013 0.000 1.172 745 A CA 0.169 52.218 52.037 0.019 0.000 0.786 745 A CB -0.262 18.750 19.000 0.020 0.000 0.804 745 A HN 0.377 nan 8.150 nan 0.000 0.479 746 R N -0.645 119.863 120.500 0.013 0.000 3.770 746 R HA -0.188 4.407 4.340 0.425 0.000 0.305 746 R C -0.354 175.950 176.300 0.007 0.000 1.184 746 R CA 1.126 57.231 56.100 0.009 0.000 0.823 746 R CB -2.537 27.767 30.300 0.008 0.000 1.285 746 R HN 0.718 nan 8.270 nan 0.000 0.499 747 E N 0.000 120.205 120.200 0.008 0.000 2.725 747 E HA 0.000 4.605 4.350 0.425 0.000 0.291 747 E CA 0.000 56.402 56.400 0.004 0.000 0.976 747 E CB 0.000 29.702 29.700 0.003 0.000 0.812 747 E HN 0.000 nan 8.360 nan 0.000 0.440