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 2o2p_1_D DATA FIRST_RESID 405 DATA SEQUENCE VINYVEKAVN KLTLQMPYQL FIGGEFVDAE GSKTYNTINP TDGSVICQVS DATA SEQUENCE LAQVSDVDKA VAAAKEAFEN GLWGKINARD RGRLLYRLAD VMEQHQEELA DATA SEQUENCE TIEALDAGAV YTLALKTHVG MSIQTFRYFA GWCDKIQGAT IPINQARPNR DATA SEQUENCE NLTLTKKEPV GVCGIVIPWN YPLMMLSWKT AACLAAGNTV VIKPAQVTPL DATA SEQUENCE TALKFAELTL KAGIPKGVVN ILPGSGSLVG QRLSDHPDVR KIGFTGSTEV DATA SEQUENCE GKHIMKSCAL SNVKKVSLEL GGKSPLIIFA DCDLNKAVQM GMSSVFFNKG DATA SEQUENCE ENCIAAGRLF VEESIHNQFV QKVVEEVEKM KIGNPLERDT NHGPQNHEAH DATA SEQUENCE LRKLVEYCQR GVKEGATLVC GGNQVPRPGF FFQPTVFTDV EDHMYIAKEE DATA SEQUENCE SFGPIMIISR FADGDVDAVL SRANATEFGL ASGVFTRDIN KALYVSDKLQ DATA SEQUENCE AGTVFINTYN KTDVAAPFGG FKQSGFGKDL GEAALNEYLR IKTVTFEY 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 405 V HA 0.000 nan 4.120 nan 0.000 0.244 405 V C 0.000 176.056 176.094 -0.063 0.000 1.182 405 V CA 0.000 62.303 62.300 0.006 0.000 1.235 405 V CB 0.000 31.833 31.823 0.017 0.000 1.184 406 I N 2.326 122.786 120.570 -0.184 0.000 2.392 406 I HA 0.403 4.573 4.170 -0.000 0.000 0.295 406 I C 0.416 176.119 176.117 -0.689 0.000 0.985 406 I CA -0.242 60.799 61.300 -0.433 0.000 1.221 406 I CB 1.469 39.116 38.000 -0.589 0.000 1.366 406 I HN 0.674 nan 8.210 nan 0.000 0.467 407 N N 5.181 123.583 118.700 -0.496 0.000 2.475 407 N HA 0.246 4.985 4.740 -0.000 0.000 0.267 407 N C -1.493 173.782 175.510 -0.391 0.000 1.169 407 N CA -0.083 52.788 53.050 -0.298 0.000 0.947 407 N CB 0.518 38.967 38.487 -0.063 0.000 1.061 407 N HN 0.338 nan 8.380 nan 0.000 0.466 408 Y N 0.223 120.575 120.300 0.087 0.000 2.524 408 Y HA 0.379 4.929 4.550 0.000 0.000 0.344 408 Y C 0.022 175.985 175.900 0.104 0.000 1.012 408 Y CA -1.077 57.069 58.100 0.076 0.000 1.068 408 Y CB 1.098 39.556 38.460 -0.004 0.000 1.249 408 Y HN 0.124 nan 8.280 nan 0.000 0.468 409 V N 2.326 122.394 119.914 0.256 0.000 2.432 409 V HA 0.178 4.298 4.120 -0.000 0.000 0.271 409 V C -0.071 176.066 176.094 0.070 0.000 1.046 409 V CA -0.667 61.677 62.300 0.073 0.000 0.945 409 V CB 0.955 32.771 31.823 -0.011 0.000 0.992 409 V HN 0.738 nan 8.190 nan 0.000 0.471 410 E N 5.117 125.337 120.200 0.033 0.000 2.216 410 E HA 0.548 4.898 4.350 -0.000 0.000 0.279 410 E C -0.638 175.951 176.600 -0.018 0.000 0.997 410 E CA -0.770 55.629 56.400 -0.001 0.000 0.817 410 E CB 1.240 30.938 29.700 -0.003 0.000 1.096 410 E HN 0.631 nan 8.360 nan 0.000 0.393 411 K N 2.696 123.079 120.400 -0.028 0.000 2.553 411 K HA 0.481 4.801 4.320 -0.000 0.000 0.250 411 K C -1.771 174.808 176.600 -0.036 0.000 0.953 411 K CA -0.643 55.626 56.287 -0.029 0.000 0.800 411 K CB 1.705 34.190 32.500 -0.025 0.000 1.243 411 K HN 0.497 nan 8.250 nan 0.000 0.435 412 A N 3.436 126.234 122.820 -0.036 0.000 2.310 412 A HA 0.592 4.912 4.320 -0.000 0.000 0.300 412 A C -0.996 176.561 177.584 -0.044 0.000 1.269 412 A CA -0.419 51.594 52.037 -0.040 0.000 0.909 412 A CB 0.702 19.680 19.000 -0.037 0.000 1.144 412 A HN 0.491 nan 8.150 nan 0.000 0.540 413 V N 3.124 123.007 119.914 -0.053 0.000 3.108 413 V HA 0.471 4.591 4.120 -0.000 0.000 0.287 413 V C -0.033 176.006 176.094 -0.090 0.000 1.436 413 V CA -0.051 62.211 62.300 -0.064 0.000 1.001 413 V CB 1.950 33.741 31.823 -0.053 0.000 1.141 413 V HN 1.245 nan 8.190 nan 0.000 0.443 414 N N 3.372 122.002 118.700 -0.117 0.000 2.725 414 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 414 N C 0.387 175.805 175.510 -0.153 0.000 1.103 414 N CA 1.638 54.579 53.050 -0.182 0.000 0.707 414 N CB -1.091 37.227 38.487 -0.282 0.000 1.043 414 N HN 0.939 nan 8.380 nan 0.000 0.553 415 K N -2.561 117.778 120.400 -0.102 0.000 3.230 415 K HA -0.211 4.109 4.320 -0.000 0.000 0.285 415 K C -0.464 176.096 176.600 -0.066 0.000 1.196 415 K CA 1.351 57.592 56.287 -0.077 0.000 0.838 415 K CB -1.495 30.961 32.500 -0.074 0.000 1.262 415 K HN 0.469 nan 8.250 nan 0.000 0.492 416 L N -0.597 120.585 121.223 -0.068 0.000 2.327 416 L HA 0.433 4.772 4.340 -0.000 0.000 0.258 416 L C 0.099 176.938 176.870 -0.052 0.000 1.024 416 L CA -1.022 53.785 54.840 -0.055 0.000 0.825 416 L CB 2.299 44.328 42.059 -0.050 0.000 1.386 416 L HN -0.162 nan 8.230 nan 0.000 0.417 417 T N 2.512 117.035 114.554 -0.052 0.000 2.874 417 T HA 0.419 4.769 4.350 -0.000 0.000 0.321 417 T C -0.301 174.359 174.700 -0.067 0.000 1.075 417 T CA -0.474 61.592 62.100 -0.057 0.000 0.966 417 T CB 0.360 69.192 68.868 -0.059 0.000 1.001 417 T HN 0.058 nan 8.240 nan 0.000 0.476 418 L N 3.753 124.942 121.223 -0.055 0.000 2.416 418 L HA 0.273 4.612 4.340 -0.000 0.000 0.272 418 L C 0.604 177.419 176.870 -0.092 0.000 1.161 418 L CA 0.467 55.276 54.840 -0.053 0.000 0.845 418 L CB 0.325 42.369 42.059 -0.024 0.000 1.119 418 L HN 0.493 nan 8.230 nan 0.000 0.464 419 Q N 4.980 124.692 119.800 -0.147 0.000 2.394 419 Q HA 0.424 4.764 4.340 -0.000 0.000 0.261 419 Q C -1.052 174.892 176.000 -0.093 0.000 1.023 419 Q CA -0.053 55.580 55.803 -0.284 0.000 0.720 419 Q CB 1.770 30.042 28.738 -0.775 0.000 1.241 419 Q HN 0.585 nan 8.270 nan 0.000 0.483 420 M N 4.064 123.719 119.600 0.091 0.000 2.066 420 M HA 0.371 4.851 4.480 -0.000 0.000 0.340 420 M C -2.340 174.075 176.300 0.191 0.000 1.053 420 M CA -1.756 53.621 55.300 0.128 0.000 0.983 420 M CB 1.540 34.188 32.600 0.081 0.000 1.520 420 M HN 0.032 nan 8.290 nan 0.000 0.428 421 P HA -0.001 nan 4.420 nan 0.000 0.269 421 P C -0.807 176.436 177.300 -0.095 0.000 1.215 421 P CA 0.204 63.111 63.100 -0.322 0.000 0.780 421 P CB 0.191 31.313 31.700 -0.963 0.000 0.898 422 Y N -1.690 118.515 120.300 -0.158 0.000 2.728 422 Y HA 0.443 4.993 4.550 -0.000 0.000 0.256 422 Y C 0.207 176.117 175.900 0.017 0.000 1.112 422 Y CA -0.445 57.623 58.100 -0.054 0.000 1.240 422 Y CB -0.192 38.225 38.460 -0.072 0.000 1.337 422 Y HN 0.189 nan 8.280 nan 0.000 0.559 423 Q N 1.288 120.910 119.800 -0.296 0.000 2.252 423 Q HA 0.560 4.900 4.340 -0.000 0.000 0.256 423 Q C -0.469 175.656 176.000 0.208 0.000 1.020 423 Q CA -1.194 54.562 55.803 -0.077 0.000 0.913 423 Q CB 2.133 30.762 28.738 -0.183 0.000 1.286 423 Q HN 0.243 nan 8.270 nan 0.000 0.480 424 L N 0.890 122.208 121.223 0.159 0.000 2.483 424 L HA 0.138 4.478 4.340 -0.000 0.000 0.275 424 L C -0.358 176.605 176.870 0.155 0.000 1.220 424 L CA 0.198 55.131 54.840 0.155 0.000 0.833 424 L CB -0.041 42.067 42.059 0.081 0.000 1.102 424 L HN 0.484 nan 8.230 nan 0.000 0.490 425 F N 3.800 123.673 119.950 -0.127 0.000 2.382 425 F HA 0.600 5.127 4.527 -0.000 0.000 0.361 425 F C -0.513 175.139 175.800 -0.248 0.000 1.109 425 F CA -0.484 57.277 58.000 -0.399 0.000 1.031 425 F CB 0.652 39.321 39.000 -0.553 0.000 1.234 425 F HN 0.144 nan 8.300 nan 0.000 0.445 426 I N 5.068 125.280 120.570 -0.598 0.000 2.512 426 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 426 I C 0.580 176.381 176.117 -0.526 0.000 1.069 426 I CA -0.951 60.093 61.300 -0.427 0.000 1.056 426 I CB 2.021 39.894 38.000 -0.212 0.000 1.229 426 I HN 0.777 nan 8.210 nan 0.000 0.429 427 G N 4.115 112.638 108.800 -0.463 0.000 2.305 427 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.287 427 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.287 427 G C 0.947 175.571 174.900 -0.461 0.000 1.036 427 G CA 0.678 45.559 45.100 -0.365 0.000 0.887 427 G HN 1.668 nan 8.290 nan 0.000 0.505 428 G N -1.324 106.988 108.800 -0.813 0.000 2.143 428 G HA2 0.009 3.969 3.960 -0.000 0.000 0.249 428 G HA3 0.009 3.969 3.960 -0.000 0.000 0.249 428 G C 0.059 174.600 174.900 -0.597 0.000 0.981 428 G CA 1.228 45.920 45.100 -0.680 0.000 0.665 428 G HN 2.086 nan 8.290 nan 0.000 0.528 429 E N -0.812 118.922 120.200 -0.776 0.000 2.356 429 E HA 0.685 5.035 4.350 -0.000 0.000 0.275 429 E C -1.118 175.238 176.600 -0.406 0.000 0.904 429 E CA -1.428 54.738 56.400 -0.390 0.000 0.757 429 E CB 1.232 30.817 29.700 -0.191 0.000 1.232 429 E HN 0.045 nan 8.360 nan 0.000 0.442 430 F N 1.512 121.452 119.950 -0.018 0.000 2.420 430 F HA 0.350 4.877 4.527 -0.000 0.000 0.352 430 F C 0.213 175.957 175.800 -0.093 0.000 1.108 430 F CA -0.344 57.648 58.000 -0.012 0.000 1.162 430 F CB 1.640 40.604 39.000 -0.061 0.000 1.118 430 F HN 0.370 nan 8.300 nan 0.000 0.510 431 V N -0.152 119.803 119.914 0.069 0.000 2.925 431 V HA 0.541 4.661 4.120 -0.000 0.000 0.311 431 V C -0.671 175.435 176.094 0.021 0.000 1.104 431 V CA -1.203 61.105 62.300 0.012 0.000 0.954 431 V CB 1.766 33.574 31.823 -0.025 0.000 1.022 431 V HN 0.432 nan 8.190 nan 0.000 0.427 432 D N 2.097 122.509 120.400 0.019 0.000 2.400 432 D HA 0.526 5.166 4.640 -0.000 0.000 0.238 432 D C 0.660 176.988 176.300 0.046 0.000 1.157 432 D CA 0.791 54.816 54.000 0.042 0.000 0.889 432 D CB 1.552 42.382 40.800 0.051 0.000 1.199 432 D HN 1.141 nan 8.370 nan 0.000 0.436 433 A N 1.176 124.035 122.820 0.065 0.000 2.386 433 A HA 0.071 4.391 4.320 -0.000 0.000 0.246 433 A C 0.580 178.194 177.584 0.049 0.000 1.089 433 A CA -0.339 51.735 52.037 0.062 0.000 0.790 433 A CB 0.042 19.093 19.000 0.084 0.000 1.042 433 A HN 0.619 nan 8.150 nan 0.000 0.497 434 E N -0.055 120.170 120.200 0.042 0.000 2.558 434 E HA 0.230 4.580 4.350 -0.000 0.000 0.255 434 E C 1.191 177.814 176.600 0.038 0.000 0.968 434 E CA 1.025 57.445 56.400 0.034 0.000 0.939 434 E CB -0.158 29.561 29.700 0.031 0.000 0.921 434 E HN 1.539 nan 8.360 nan 0.000 0.477 435 G N 3.543 112.363 108.800 0.033 0.000 2.168 435 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.257 435 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.257 435 G C 0.507 175.431 174.900 0.041 0.000 0.997 435 G CA 0.504 45.624 45.100 0.034 0.000 0.708 435 G HN 0.859 nan 8.290 nan 0.000 0.520 436 S N -1.335 114.394 115.700 0.048 0.000 3.477 436 S HA -0.218 4.252 4.470 -0.000 0.000 0.357 436 S C 0.880 175.521 174.600 0.069 0.000 1.083 436 S CA 1.951 60.187 58.200 0.060 0.000 1.042 436 S CB -0.653 62.580 63.200 0.055 0.000 0.911 436 S HN 1.036 nan 8.310 nan 0.000 0.490 437 K N 1.791 122.234 120.400 0.072 0.000 2.382 437 K HA 0.354 4.674 4.320 -0.000 0.000 0.275 437 K C 0.836 177.505 176.600 0.114 0.000 1.009 437 K CA 0.577 56.914 56.287 0.083 0.000 0.970 437 K CB 0.497 33.044 32.500 0.078 0.000 0.934 437 K HN 0.496 nan 8.250 nan 0.000 0.479 438 T N -0.753 113.873 114.554 0.119 0.000 2.838 438 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 438 T C -1.165 173.654 174.700 0.198 0.000 1.113 438 T CA -0.969 61.211 62.100 0.132 0.000 1.008 438 T CB 0.919 69.820 68.868 0.055 0.000 1.259 438 T HN 0.626 nan 8.240 nan 0.000 0.520 439 Y N -1.040 119.285 120.300 0.041 0.000 2.615 439 Y HA 0.762 5.312 4.550 -0.000 0.000 0.341 439 Y C -1.232 174.681 175.900 0.021 0.000 1.089 439 Y CA -1.410 56.705 58.100 0.024 0.000 1.049 439 Y CB 0.964 39.435 38.460 0.018 0.000 1.296 439 Y HN 0.554 nan 8.280 nan 0.000 0.470 440 N N 1.122 119.849 118.700 0.045 0.000 2.455 440 N HA 0.253 4.993 4.740 -0.000 0.000 0.280 440 N C -0.954 174.546 175.510 -0.017 0.000 1.055 440 N CA -0.311 52.708 53.050 -0.051 0.000 0.961 440 N CB 1.797 40.297 38.487 0.023 0.000 1.121 440 N HN 0.771 nan 8.380 nan 0.000 0.476 441 T N 2.563 117.051 114.554 -0.110 0.000 2.799 441 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 441 T C -0.208 174.508 174.700 0.026 0.000 0.973 441 T CA -0.654 61.443 62.100 -0.006 0.000 1.035 441 T CB 0.177 69.024 68.868 -0.036 0.000 0.932 441 T HN 0.176 nan 8.240 nan 0.000 0.469 442 I N 5.107 125.718 120.570 0.068 0.000 2.377 442 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 442 I C 0.449 176.631 176.117 0.109 0.000 0.987 442 I CA -1.086 60.274 61.300 0.101 0.000 1.185 442 I CB 1.343 39.440 38.000 0.161 0.000 1.341 442 I HN 0.627 nan 8.210 nan 0.000 0.455 443 N N 9.112 127.861 118.700 0.082 0.000 2.401 443 N HA 0.181 4.921 4.740 -0.000 0.000 0.255 443 N C -1.731 173.816 175.510 0.061 0.000 1.110 443 N CA -1.717 51.365 53.050 0.052 0.000 0.949 443 N CB 1.395 39.891 38.487 0.014 0.000 1.110 443 N HN 0.307 nan 8.380 nan 0.000 0.490 444 P HA -0.016 nan 4.420 nan 0.000 0.233 444 P C 0.711 177.892 177.300 -0.199 0.000 1.167 444 P CA 0.787 63.944 63.100 0.096 0.000 0.770 444 P CB 0.308 32.083 31.700 0.124 0.000 0.837 445 T N 0.432 114.914 114.554 -0.120 0.000 2.951 445 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 445 T C 0.968 175.680 174.700 0.021 0.000 1.073 445 T CA 1.827 63.923 62.100 -0.006 0.000 1.134 445 T CB -0.330 68.574 68.868 0.059 0.000 0.884 445 T HN 0.358 nan 8.240 nan 0.000 0.479 446 D N -1.557 118.778 120.400 -0.107 0.000 2.497 446 D HA 0.231 4.871 4.640 -0.000 0.000 0.256 446 D C 1.273 177.456 176.300 -0.194 0.000 1.273 446 D CA 0.533 54.458 54.000 -0.124 0.000 0.812 446 D CB -0.511 40.256 40.800 -0.054 0.000 1.190 446 D HN 0.295 nan 8.370 nan 0.000 0.524 447 G N 0.798 109.446 108.800 -0.253 0.000 2.162 447 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 447 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 447 G C 0.442 175.362 174.900 0.033 0.000 0.976 447 G CA 0.584 45.615 45.100 -0.115 0.000 0.655 447 G HN 0.991 nan 8.290 nan 0.000 0.533 448 S N -0.853 114.848 115.700 0.001 0.000 2.603 448 S HA 0.623 5.093 4.470 -0.000 0.000 0.268 448 S C 0.453 175.069 174.600 0.027 0.000 1.317 448 S CA -0.232 57.975 58.200 0.012 0.000 1.012 448 S CB 2.247 65.442 63.200 -0.007 0.000 0.926 448 S HN 1.004 nan 8.310 nan 0.000 0.539 449 V N 3.506 123.430 119.914 0.016 0.000 2.470 449 V HA 0.115 4.235 4.120 -0.000 0.000 0.276 449 V C 1.283 177.369 176.094 -0.013 0.000 1.040 449 V CA -0.139 62.165 62.300 0.005 0.000 1.008 449 V CB -0.102 31.717 31.823 -0.006 0.000 0.990 449 V HN 0.907 nan 8.190 nan 0.000 0.477 450 I N 4.152 124.713 120.570 -0.015 0.000 2.193 450 I HA -0.013 4.157 4.170 -0.000 0.000 0.240 450 I C 1.014 177.099 176.117 -0.053 0.000 1.084 450 I CA 1.334 62.619 61.300 -0.025 0.000 1.365 450 I CB 0.036 38.028 38.000 -0.013 0.000 1.064 450 I HN 0.862 nan 8.210 nan 0.000 0.410 451 C N -1.987 117.267 119.300 -0.077 0.000 3.216 451 C HA 0.509 4.969 4.460 -0.000 0.000 0.346 451 C C -1.278 173.616 174.990 -0.161 0.000 1.384 451 C CA -1.308 57.634 59.018 -0.128 0.000 1.208 451 C CB 0.924 28.576 27.740 -0.147 0.000 1.483 451 C HN 0.184 nan 8.230 nan 0.000 0.453 452 Q N 0.658 120.336 119.800 -0.203 0.000 2.261 452 Q HA 0.740 5.080 4.340 -0.000 0.000 0.252 452 Q C -0.367 175.522 176.000 -0.184 0.000 0.915 452 Q CA -0.178 55.503 55.803 -0.203 0.000 0.915 452 Q CB 1.513 30.160 28.738 -0.153 0.000 1.204 452 Q HN 0.659 nan 8.270 nan 0.000 0.421 453 V N 1.522 121.264 119.914 -0.287 0.000 2.680 453 V HA 0.401 4.521 4.120 -0.000 0.000 0.309 453 V C -0.279 175.776 176.094 -0.065 0.000 1.052 453 V CA -0.947 61.244 62.300 -0.181 0.000 0.908 453 V CB 2.303 33.869 31.823 -0.427 0.000 1.001 453 V HN 0.819 nan 8.190 nan 0.000 0.431 454 S N 3.348 119.125 115.700 0.127 0.000 2.558 454 S HA 0.222 4.692 4.470 -0.000 0.000 0.288 454 S C -0.266 174.488 174.600 0.257 0.000 1.318 454 S CA -0.017 58.283 58.200 0.167 0.000 1.056 454 S CB 0.262 63.546 63.200 0.141 0.000 0.853 454 S HN 0.540 nan 8.310 nan 0.000 0.505 455 L N 3.720 125.091 121.223 0.247 0.000 2.313 455 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 455 L C 0.235 177.189 176.870 0.140 0.000 1.028 455 L CA -0.244 54.750 54.840 0.256 0.000 0.871 455 L CB 0.067 42.273 42.059 0.246 0.000 1.242 455 L HN 0.724 nan 8.230 nan 0.000 0.434 456 A N 4.195 127.090 122.820 0.124 0.000 2.546 456 A HA 0.348 4.667 4.320 -0.000 0.000 0.243 456 A C 0.121 177.741 177.584 0.059 0.000 1.063 456 A CA 0.048 52.136 52.037 0.084 0.000 0.757 456 A CB 0.007 19.054 19.000 0.079 0.000 0.991 456 A HN 0.715 nan 8.150 nan 0.000 0.503 457 Q N 1.380 121.211 119.800 0.051 0.000 2.252 457 Q HA 0.350 4.690 4.340 -0.000 0.000 0.256 457 Q C 1.525 177.549 176.000 0.038 0.000 1.020 457 Q CA -0.771 55.056 55.803 0.040 0.000 0.913 457 Q CB 0.998 29.758 28.738 0.037 0.000 1.286 457 Q HN 0.437 nan 8.270 nan 0.000 0.480 458 V N 0.943 120.877 119.914 0.034 0.000 2.332 458 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 458 V C 2.239 178.359 176.094 0.044 0.000 1.055 458 V CA 2.556 64.879 62.300 0.038 0.000 1.038 458 V CB -0.916 30.924 31.823 0.029 0.000 0.651 458 V HN 0.887 nan 8.190 nan 0.000 0.450 459 S N -0.288 115.433 115.700 0.035 0.000 2.399 459 S HA -0.232 4.238 4.470 -0.000 0.000 0.231 459 S C 1.614 176.234 174.600 0.033 0.000 1.022 459 S CA 1.548 59.768 58.200 0.033 0.000 0.983 459 S CB -0.477 62.738 63.200 0.024 0.000 0.803 459 S HN 0.635 nan 8.310 nan 0.000 0.480 460 D N 1.544 121.964 120.400 0.032 0.000 2.149 460 D HA 0.003 4.643 4.640 -0.000 0.000 0.201 460 D C 2.190 178.506 176.300 0.027 0.000 0.972 460 D CA 1.007 55.022 54.000 0.026 0.000 0.835 460 D CB -0.422 40.398 40.800 0.033 0.000 0.966 460 D HN 0.356 nan 8.370 nan 0.000 0.476 461 V N 1.992 121.931 119.914 0.042 0.000 2.287 461 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 461 V C 1.942 178.065 176.094 0.048 0.000 1.053 461 V CA 1.771 64.098 62.300 0.046 0.000 1.027 461 V CB -0.447 31.418 31.823 0.069 0.000 0.646 461 V HN 0.042 nan 8.190 nan 0.000 0.447 462 D N 0.051 120.507 120.400 0.093 0.000 2.117 462 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 462 D C 2.248 178.583 176.300 0.059 0.000 0.987 462 D CA 1.227 55.312 54.000 0.141 0.000 0.829 462 D CB -0.236 40.649 40.800 0.143 0.000 0.961 462 D HN 0.436 nan 8.370 nan 0.000 0.460 463 K N 0.571 120.986 120.400 0.025 0.000 2.057 463 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 463 K C 2.123 178.699 176.600 -0.039 0.000 1.049 463 K CA 1.159 57.442 56.287 -0.008 0.000 0.931 463 K CB -0.056 32.433 32.500 -0.018 0.000 0.714 463 K HN 0.032 nan 8.250 nan 0.000 0.440 464 A N 0.888 123.682 122.820 -0.043 0.000 1.898 464 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 464 A C 2.354 179.886 177.584 -0.087 0.000 1.181 464 A CA 1.306 53.303 52.037 -0.067 0.000 0.620 464 A CB -0.594 18.381 19.000 -0.043 0.000 0.819 464 A HN 0.065 nan 8.150 nan 0.000 0.442 465 V N -0.059 119.781 119.914 -0.122 0.000 2.343 465 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 465 V C 3.038 179.053 176.094 -0.132 0.000 1.051 465 V CA 1.864 64.033 62.300 -0.218 0.000 1.036 465 V CB -1.226 30.254 31.823 -0.571 0.000 0.654 465 V HN 0.607 nan 8.190 nan 0.000 0.451 466 A N 0.046 122.827 122.820 -0.066 0.000 1.902 466 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 466 A C 2.427 179.998 177.584 -0.022 0.000 1.181 466 A CA 2.066 54.094 52.037 -0.015 0.000 0.623 466 A CB -0.736 18.271 19.000 0.012 0.000 0.818 466 A HN 0.564 nan 8.150 nan 0.000 0.443 467 A N -0.178 122.613 122.820 -0.048 0.000 1.902 467 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 467 A C 2.499 180.058 177.584 -0.042 0.000 1.181 467 A CA 2.051 54.052 52.037 -0.061 0.000 0.623 467 A CB -0.975 17.960 19.000 -0.108 0.000 0.818 467 A HN 1.032 nan 8.150 nan 0.000 0.443 468 A N -0.241 122.551 122.820 -0.046 0.000 1.898 468 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 468 A C 2.123 179.736 177.584 0.048 0.000 1.181 468 A CA 1.953 53.978 52.037 -0.021 0.000 0.620 468 A CB -0.448 18.522 19.000 -0.050 0.000 0.819 468 A HN 0.561 nan 8.150 nan 0.000 0.442 469 K N -0.281 120.139 120.400 0.033 0.000 2.032 469 K HA -0.247 4.073 4.320 -0.000 0.000 0.209 469 K C 2.055 178.738 176.600 0.137 0.000 1.048 469 K CA 1.908 58.252 56.287 0.096 0.000 0.927 469 K CB -0.153 32.381 32.500 0.057 0.000 0.712 469 K HN 0.411 nan 8.250 nan 0.000 0.441 470 E N 0.475 120.721 120.200 0.077 0.000 2.077 470 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 470 E C 1.639 178.286 176.600 0.079 0.000 0.989 470 E CA 1.599 58.037 56.400 0.064 0.000 0.800 470 E CB -0.292 29.424 29.700 0.026 0.000 0.746 470 E HN 0.394 nan 8.360 nan 0.000 0.452 471 A N -0.235 122.634 122.820 0.082 0.000 1.933 471 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 471 A C 2.178 179.882 177.584 0.201 0.000 1.175 471 A CA 1.456 53.553 52.037 0.100 0.000 0.628 471 A CB -0.891 18.135 19.000 0.043 0.000 0.814 471 A HN 0.469 nan 8.150 nan 0.000 0.444 472 F N 0.592 120.594 119.950 0.087 0.000 2.128 472 F HA -0.029 4.498 4.527 -0.000 0.000 0.295 472 F C 2.209 178.070 175.800 0.102 0.000 1.100 472 F CA 1.959 60.040 58.000 0.135 0.000 1.260 472 F CB -0.200 38.866 39.000 0.111 0.000 1.009 472 F HN 0.321 nan 8.300 nan 0.000 0.476 473 E N -0.506 119.742 120.200 0.080 0.000 2.112 473 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 473 E C 1.189 177.752 176.600 -0.062 0.000 0.979 473 E CA 1.100 57.480 56.400 -0.034 0.000 0.814 473 E CB -0.006 29.750 29.700 0.093 0.000 0.762 473 E HN 0.416 nan 8.360 nan 0.000 0.460 474 N N -0.582 118.112 118.700 -0.009 0.000 2.266 474 N HA 0.059 4.799 4.740 -0.000 0.000 0.217 474 N C 0.535 176.049 175.510 0.007 0.000 1.211 474 N CA 0.282 53.329 53.050 -0.006 0.000 0.881 474 N CB 0.957 39.450 38.487 0.010 0.000 1.153 474 N HN -0.020 nan 8.380 nan 0.000 0.489 475 G N 0.862 109.681 108.800 0.033 0.000 2.580 475 G HA2 0.277 4.237 3.960 -0.000 0.000 0.278 475 G HA3 0.277 4.237 3.960 -0.000 0.000 0.278 475 G C 1.021 175.967 174.900 0.077 0.000 1.212 475 G CA -0.436 44.698 45.100 0.057 0.000 0.939 475 G HN 0.042 nan 8.290 nan 0.000 0.513 476 L N -0.341 120.942 121.223 0.101 0.000 2.127 476 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 476 L C 2.277 179.245 176.870 0.164 0.000 1.089 476 L CA 1.538 56.443 54.840 0.108 0.000 0.757 476 L CB -0.518 41.610 42.059 0.116 0.000 0.899 476 L HN 0.770 nan 8.230 nan 0.000 0.434 477 W N -0.002 121.301 121.300 0.005 0.000 2.342 477 W HA -0.172 4.488 4.660 -0.000 0.000 0.297 477 W C 1.805 178.322 176.519 -0.004 0.000 1.213 477 W CA 1.252 58.613 57.345 0.026 0.000 1.251 477 W CB -0.224 29.276 29.460 0.067 0.000 1.136 477 W HN 0.377 nan 8.180 nan 0.000 0.526 478 G N 0.023 108.856 108.800 0.055 0.000 2.813 478 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.209 478 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.209 478 G C 1.429 176.236 174.900 -0.154 0.000 1.150 478 G CA 0.330 45.331 45.100 -0.164 0.000 0.785 478 G HN 0.227 nan 8.290 nan 0.000 0.535 479 K N -0.335 120.010 120.400 -0.092 0.000 2.350 479 K HA 0.261 4.581 4.320 -0.000 0.000 0.196 479 K C 1.207 177.760 176.600 -0.078 0.000 1.084 479 K CA -0.240 56.002 56.287 -0.075 0.000 0.967 479 K CB 0.322 32.798 32.500 -0.039 0.000 0.950 479 K HN 0.460 nan 8.250 nan 0.000 0.512 480 I N 0.604 121.119 120.570 -0.091 0.000 3.060 480 I HA 0.075 4.245 4.170 -0.000 0.000 0.285 480 I C -0.225 175.820 176.117 -0.120 0.000 1.190 480 I CA -0.718 60.528 61.300 -0.090 0.000 1.363 480 I CB 0.309 38.259 38.000 -0.084 0.000 1.396 480 I HN -0.061 nan 8.210 nan 0.000 0.607 481 N N 2.658 121.306 118.700 -0.088 0.000 2.479 481 N HA 0.084 4.823 4.740 -0.000 0.000 0.257 481 N C 1.002 176.445 175.510 -0.110 0.000 1.232 481 N CA 0.483 53.485 53.050 -0.081 0.000 0.920 481 N CB 1.228 39.684 38.487 -0.052 0.000 1.105 481 N HN 0.849 nan 8.380 nan 0.000 0.444 482 A N 2.728 125.494 122.820 -0.092 0.000 1.917 482 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 482 A C 2.173 179.722 177.584 -0.058 0.000 1.182 482 A CA 1.772 53.758 52.037 -0.084 0.000 0.633 482 A CB -0.451 18.530 19.000 -0.033 0.000 0.819 482 A HN 0.779 nan 8.150 nan 0.000 0.448 483 R N -0.544 119.933 120.500 -0.038 0.000 2.105 483 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 483 R C 1.244 177.531 176.300 -0.021 0.000 1.135 483 R CA 1.886 57.972 56.100 -0.024 0.000 0.967 483 R CB -0.251 30.034 30.300 -0.025 0.000 0.861 483 R HN 0.508 nan 8.270 nan 0.000 0.442 484 D N -0.473 119.903 120.400 -0.039 0.000 2.194 484 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 484 D C 1.772 178.053 176.300 -0.032 0.000 0.964 484 D CA 0.608 54.593 54.000 -0.025 0.000 0.846 484 D CB -0.197 40.586 40.800 -0.028 0.000 0.962 484 D HN 0.255 nan 8.370 nan 0.000 0.490 485 R N 0.883 121.302 120.500 -0.134 0.000 2.083 485 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 485 R C 2.251 178.567 176.300 0.027 0.000 1.137 485 R CA 1.746 57.707 56.100 -0.231 0.000 0.951 485 R CB -0.535 29.469 30.300 -0.494 0.000 0.851 485 R HN 0.163 nan 8.270 nan 0.000 0.434 486 G N 1.094 109.922 108.800 0.047 0.000 2.446 486 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 486 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 486 G C 1.419 176.421 174.900 0.171 0.000 1.168 486 G CA 0.444 45.623 45.100 0.130 0.000 0.771 486 G HN 0.237 nan 8.290 nan 0.000 0.551 487 R N 0.084 120.650 120.500 0.110 0.000 2.103 487 R HA -0.001 4.339 4.340 -0.000 0.000 0.242 487 R C 2.696 179.106 176.300 0.184 0.000 1.142 487 R CA 0.882 57.055 56.100 0.121 0.000 0.960 487 R CB -0.986 29.353 30.300 0.065 0.000 0.858 487 R HN 0.417 nan 8.270 nan 0.000 0.439 488 L N 0.478 121.817 121.223 0.193 0.000 2.083 488 L HA -0.156 4.183 4.340 -0.000 0.000 0.209 488 L C 2.483 179.505 176.870 0.253 0.000 1.083 488 L CA 1.043 56.022 54.840 0.231 0.000 0.752 488 L CB -0.408 41.848 42.059 0.328 0.000 0.899 488 L HN 0.132 nan 8.230 nan 0.000 0.433 489 L N -2.013 119.404 121.223 0.323 0.000 2.109 489 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 489 L C 2.505 179.559 176.870 0.308 0.000 1.086 489 L CA 1.142 56.199 54.840 0.362 0.000 0.760 489 L CB -0.536 41.809 42.059 0.477 0.000 0.910 489 L HN 0.172 nan 8.230 nan 0.000 0.437 490 Y N 0.644 121.056 120.300 0.186 0.000 2.293 490 Y HA -0.275 4.275 4.550 -0.000 0.000 0.291 490 Y C 2.831 178.793 175.900 0.104 0.000 1.137 490 Y CA 1.368 59.554 58.100 0.144 0.000 1.202 490 Y CB 0.038 38.561 38.460 0.104 0.000 0.990 490 Y HN 0.026 nan 8.280 nan 0.000 0.537 491 R N 0.370 121.019 120.500 0.248 0.000 2.075 491 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 491 R C 2.052 178.381 176.300 0.048 0.000 1.126 491 R CA 1.600 57.788 56.100 0.146 0.000 0.963 491 R CB -1.149 29.225 30.300 0.122 0.000 0.858 491 R HN 0.411 nan 8.270 nan 0.000 0.435 492 L N 0.482 121.708 121.223 0.006 0.000 2.013 492 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 492 L C 2.123 178.902 176.870 -0.151 0.000 1.073 492 L CA 2.377 57.136 54.840 -0.136 0.000 0.753 492 L CB -1.193 40.717 42.059 -0.248 0.000 0.890 492 L HN 0.287 nan 8.230 nan 0.000 0.432 493 A N -0.849 121.912 122.820 -0.097 0.000 1.908 493 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 493 A C 2.001 179.555 177.584 -0.049 0.000 1.181 493 A CA 1.964 53.963 52.037 -0.062 0.000 0.627 493 A CB -0.906 18.038 19.000 -0.094 0.000 0.818 493 A HN 0.562 nan 8.150 nan 0.000 0.445 494 D N -0.301 120.075 120.400 -0.040 0.000 2.117 494 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 494 D C 2.071 178.402 176.300 0.051 0.000 0.987 494 D CA 1.471 55.484 54.000 0.022 0.000 0.829 494 D CB -0.489 40.357 40.800 0.076 0.000 0.961 494 D HN 0.230 nan 8.370 nan 0.000 0.460 495 V N 0.889 120.827 119.914 0.040 0.000 2.343 495 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 495 V C 2.511 178.687 176.094 0.135 0.000 1.051 495 V CA 1.378 63.728 62.300 0.083 0.000 1.036 495 V CB -0.427 31.386 31.823 -0.016 0.000 0.654 495 V HN 0.195 nan 8.190 nan 0.000 0.451 496 M N -0.399 119.223 119.600 0.036 0.000 2.108 496 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 496 M C 2.272 178.646 176.300 0.123 0.000 1.066 496 M CA 2.128 57.471 55.300 0.072 0.000 1.107 496 M CB -0.500 32.132 32.600 0.055 0.000 1.356 496 M HN 0.386 nan 8.290 nan 0.000 0.406 497 E N 0.424 120.678 120.200 0.090 0.000 2.077 497 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 497 E C 1.914 178.561 176.600 0.078 0.000 0.989 497 E CA 1.303 57.749 56.400 0.076 0.000 0.800 497 E CB 0.048 29.779 29.700 0.050 0.000 0.746 497 E HN 0.549 nan 8.360 nan 0.000 0.452 498 Q N -0.920 118.936 119.800 0.093 0.000 2.291 498 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 498 Q C 0.701 176.642 176.000 -0.098 0.000 0.976 498 Q CA 1.191 57.002 55.803 0.014 0.000 0.875 498 Q CB 0.057 28.808 28.738 0.023 0.000 0.927 498 Q HN 0.415 nan 8.270 nan 0.000 0.450 499 H N -0.709 118.373 119.070 0.020 0.000 2.486 499 H HA 0.055 4.611 4.556 0.000 0.000 0.284 499 H C 1.303 176.656 175.328 0.042 0.000 1.103 499 H CA -0.095 55.967 56.048 0.023 0.000 1.089 499 H CB 0.335 30.106 29.762 0.015 0.000 1.603 499 H HN 0.303 nan 8.280 nan 0.000 0.557 500 Q N 0.325 120.198 119.800 0.121 0.000 2.119 500 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 500 Q C 0.817 176.882 176.000 0.108 0.000 0.972 500 Q CA 1.583 57.448 55.803 0.104 0.000 0.847 500 Q CB 0.078 28.859 28.738 0.072 0.000 0.903 500 Q HN 0.325 nan 8.270 nan 0.000 0.433 501 E N 1.535 121.807 120.200 0.120 0.000 2.072 501 E HA -0.185 4.164 4.350 -0.000 0.000 0.191 501 E C 1.827 178.552 176.600 0.208 0.000 0.985 501 E CA 1.443 57.967 56.400 0.207 0.000 0.801 501 E CB -0.067 29.739 29.700 0.177 0.000 0.750 501 E HN 0.581 nan 8.360 nan 0.000 0.452 502 E N 0.532 120.810 120.200 0.131 0.000 2.051 502 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 502 E C 1.938 178.613 176.600 0.125 0.000 0.991 502 E CA 0.907 57.373 56.400 0.110 0.000 0.799 502 E CB -0.086 29.674 29.700 0.100 0.000 0.748 502 E HN 0.200 nan 8.360 nan 0.000 0.449 503 L N 0.387 121.691 121.223 0.136 0.000 2.046 503 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 503 L C 2.671 179.605 176.870 0.107 0.000 1.077 503 L CA 1.186 56.097 54.840 0.118 0.000 0.747 503 L CB -0.447 41.686 42.059 0.123 0.000 0.896 503 L HN 0.237 nan 8.230 nan 0.000 0.432 504 A N -0.641 122.246 122.820 0.112 0.000 1.930 504 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 504 A C 2.349 180.053 177.584 0.200 0.000 1.175 504 A CA 2.180 54.257 52.037 0.066 0.000 0.627 504 A CB -0.822 18.108 19.000 -0.117 0.000 0.815 504 A HN 0.400 nan 8.150 nan 0.000 0.443 505 T N 0.395 115.121 114.554 0.288 0.000 2.777 505 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 505 T C 1.785 176.540 174.700 0.092 0.000 1.040 505 T CA 1.471 63.684 62.100 0.189 0.000 1.141 505 T CB -0.405 68.507 68.868 0.074 0.000 0.868 505 T HN 0.434 nan 8.240 nan 0.000 0.444 506 I N 0.843 121.460 120.570 0.080 0.000 2.208 506 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 506 I C 2.723 178.868 176.117 0.047 0.000 1.097 506 I CA 1.309 62.643 61.300 0.057 0.000 1.363 506 I CB -0.291 37.747 38.000 0.064 0.000 1.051 506 I HN 0.187 nan 8.210 nan 0.000 0.413 507 E N 1.039 121.265 120.200 0.043 0.000 2.106 507 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 507 E C 2.152 178.729 176.600 -0.038 0.000 0.984 507 E CA 1.336 57.737 56.400 0.003 0.000 0.806 507 E CB -0.109 29.571 29.700 -0.032 0.000 0.750 507 E HN 0.435 nan 8.360 nan 0.000 0.458 508 A N 0.361 123.173 122.820 -0.013 0.000 1.877 508 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 508 A C 2.214 179.793 177.584 -0.007 0.000 1.186 508 A CA 1.392 53.422 52.037 -0.011 0.000 0.620 508 A CB -0.717 18.322 19.000 0.065 0.000 0.822 508 A HN 0.315 nan 8.150 nan 0.000 0.443 509 L N -1.072 120.158 121.223 0.010 0.000 2.056 509 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 509 L C 2.300 179.179 176.870 0.014 0.000 1.078 509 L CA 1.765 56.610 54.840 0.008 0.000 0.749 509 L CB -0.458 41.607 42.059 0.011 0.000 0.901 509 L HN 0.351 nan 8.230 nan 0.000 0.433 510 D N -0.692 119.723 120.400 0.024 0.000 2.240 510 D HA -0.008 4.632 4.640 -0.000 0.000 0.206 510 D C 1.699 178.028 176.300 0.047 0.000 0.963 510 D CA 1.053 55.078 54.000 0.040 0.000 0.863 510 D CB 0.403 41.235 40.800 0.053 0.000 0.973 510 D HN 0.205 nan 8.370 nan 0.000 0.501 511 A N -1.289 121.550 122.820 0.032 0.000 2.419 511 A HA 0.545 4.865 4.320 -0.000 0.000 0.233 511 A C 1.628 179.207 177.584 -0.008 0.000 1.217 511 A CA 0.720 52.784 52.037 0.045 0.000 0.944 511 A CB 0.214 19.257 19.000 0.072 0.000 1.025 511 A HN 0.252 nan 8.150 nan 0.000 0.524 512 G N -0.797 107.975 108.800 -0.048 0.000 2.143 512 G HA2 0.062 4.022 3.960 -0.000 0.000 0.248 512 G HA3 0.062 4.022 3.960 -0.000 0.000 0.248 512 G C 0.474 175.293 174.900 -0.134 0.000 0.991 512 G CA 0.377 45.414 45.100 -0.106 0.000 0.689 512 G HN 1.665 nan 8.290 nan 0.000 0.522 513 A N 0.078 122.804 122.820 -0.156 0.000 2.492 513 A HA 0.598 4.918 4.320 -0.000 0.000 0.254 513 A C 0.978 178.457 177.584 -0.175 0.000 1.091 513 A CA 0.302 52.185 52.037 -0.256 0.000 0.768 513 A CB 0.636 19.270 19.000 -0.609 0.000 1.028 513 A HN 1.271 nan 8.150 nan 0.000 0.498 514 V N 4.424 124.255 119.914 -0.139 0.000 2.557 514 V HA -0.153 3.967 4.120 -0.000 0.000 0.301 514 V C 1.372 177.444 176.094 -0.036 0.000 1.026 514 V CA 0.800 63.069 62.300 -0.053 0.000 1.137 514 V CB -0.643 31.154 31.823 -0.043 0.000 0.917 514 V HN 0.990 nan 8.190 nan 0.000 0.484 515 Y N 4.966 125.225 120.300 -0.068 0.000 2.114 515 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 515 Y C 2.606 178.490 175.900 -0.026 0.000 1.165 515 Y CA 2.518 60.587 58.100 -0.053 0.000 1.148 515 Y CB -0.366 38.075 38.460 -0.031 0.000 0.972 515 Y HN 0.848 nan 8.280 nan 0.000 0.504 516 T N -1.203 113.319 114.554 -0.054 0.000 2.759 516 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 516 T C 1.799 176.429 174.700 -0.117 0.000 1.042 516 T CA 1.538 63.575 62.100 -0.105 0.000 1.140 516 T CB -0.944 67.942 68.868 0.030 0.000 0.864 516 T HN 0.340 nan 8.240 nan 0.000 0.455 517 L N 1.663 122.840 121.223 -0.076 0.000 2.072 517 L HA 0.391 4.730 4.340 -0.000 0.000 0.205 517 L C 2.849 179.729 176.870 0.016 0.000 1.079 517 L CA 1.558 56.389 54.840 -0.015 0.000 0.752 517 L CB -1.274 40.752 42.059 -0.056 0.000 0.906 517 L HN 0.335 nan 8.230 nan 0.000 0.436 518 A N -0.716 122.013 122.820 -0.150 0.000 1.933 518 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 518 A C 2.220 179.739 177.584 -0.109 0.000 1.175 518 A CA 1.925 53.842 52.037 -0.200 0.000 0.628 518 A CB -0.897 17.895 19.000 -0.345 0.000 0.814 518 A HN 0.456 nan 8.150 nan 0.000 0.444 519 L N -0.169 120.887 121.223 -0.279 0.000 2.027 519 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 519 L C 2.331 179.164 176.870 -0.062 0.000 1.074 519 L CA 2.591 57.286 54.840 -0.241 0.000 0.745 519 L CB -0.484 41.313 42.059 -0.437 0.000 0.898 519 L HN 0.464 nan 8.230 nan 0.000 0.433 520 K N -2.098 118.287 120.400 -0.025 0.000 2.062 520 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 520 K C 1.542 178.199 176.600 0.094 0.000 1.051 520 K CA 1.724 58.036 56.287 0.042 0.000 0.941 520 K CB 0.051 32.585 32.500 0.058 0.000 0.719 520 K HN 0.369 nan 8.250 nan 0.000 0.440 521 T N -0.675 113.972 114.554 0.155 0.000 3.146 521 T HA 0.040 4.390 4.350 -0.000 0.000 0.235 521 T C 1.441 176.236 174.700 0.159 0.000 0.985 521 T CA 0.536 62.749 62.100 0.188 0.000 1.265 521 T CB -0.471 68.593 68.868 0.327 0.000 0.946 521 T HN 0.234 nan 8.240 nan 0.000 0.418 522 H N 0.799 119.925 119.070 0.093 0.000 2.289 522 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 522 H C 2.191 177.547 175.328 0.047 0.000 1.091 522 H CA 1.660 57.758 56.048 0.082 0.000 1.274 522 H CB -0.630 29.185 29.762 0.090 0.000 1.364 522 H HN 0.097 nan 8.280 nan 0.000 0.490 523 V N -0.626 119.395 119.914 0.179 0.000 2.426 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.242 523 V C 2.644 178.805 176.094 0.110 0.000 1.036 523 V CA 1.403 63.778 62.300 0.124 0.000 1.044 523 V CB -0.956 30.918 31.823 0.086 0.000 0.688 523 V HN 0.615 nan 8.190 nan 0.000 0.462 524 G N -0.398 108.456 108.800 0.089 0.000 2.476 524 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.218 524 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.218 524 G C 1.668 176.622 174.900 0.090 0.000 1.164 524 G CA 1.399 46.546 45.100 0.078 0.000 0.768 524 G HN 0.399 nan 8.290 nan 0.000 0.560 525 M N 0.653 120.309 119.600 0.095 0.000 2.254 525 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 525 M C 2.661 179.054 176.300 0.155 0.000 1.066 525 M CA 1.182 56.546 55.300 0.106 0.000 1.123 525 M CB 0.014 32.678 32.600 0.107 0.000 1.388 525 M HN 0.239 nan 8.290 nan 0.000 0.425 526 S N 1.021 116.818 115.700 0.162 0.000 2.368 526 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 526 S C 1.654 176.444 174.600 0.316 0.000 1.030 526 S CA 1.386 59.724 58.200 0.230 0.000 0.999 526 S CB -0.416 62.906 63.200 0.204 0.000 0.844 526 S HN 0.490 nan 8.310 nan 0.000 0.459 527 I N 1.546 122.251 120.570 0.226 0.000 2.179 527 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 527 I C 2.720 178.934 176.117 0.162 0.000 1.088 527 I CA 1.198 62.615 61.300 0.195 0.000 1.357 527 I CB -0.407 37.657 38.000 0.106 0.000 1.051 527 I HN 0.309 nan 8.210 nan 0.000 0.409 528 Q N 0.055 119.927 119.800 0.119 0.000 2.135 528 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 528 Q C 2.250 178.318 176.000 0.114 0.000 0.981 528 Q CA 2.185 58.039 55.803 0.084 0.000 0.856 528 Q CB -0.288 28.476 28.738 0.042 0.000 0.902 528 Q HN 0.535 nan 8.270 nan 0.000 0.425 529 T N 0.492 115.130 114.554 0.141 0.000 2.674 529 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 529 T C 1.446 176.261 174.700 0.193 0.000 1.039 529 T CA 1.207 63.390 62.100 0.139 0.000 1.150 529 T CB -0.385 68.560 68.868 0.128 0.000 0.864 529 T HN 0.190 nan 8.240 nan 0.000 0.427 530 F N 1.399 121.492 119.950 0.238 0.000 2.134 530 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 530 F C 2.669 178.567 175.800 0.164 0.000 1.097 530 F CA 1.064 59.201 58.000 0.229 0.000 1.264 530 F CB -0.242 38.861 39.000 0.170 0.000 1.001 530 F HN -0.030 nan 8.300 nan 0.000 0.479 531 R N -1.229 119.388 120.500 0.195 0.000 2.092 531 R HA -0.207 4.133 4.340 -0.000 0.000 0.231 531 R C 2.093 178.503 176.300 0.183 0.000 1.119 531 R CA 1.653 57.778 56.100 0.043 0.000 0.970 531 R CB -0.823 29.381 30.300 -0.160 0.000 0.864 531 R HN 0.332 nan 8.270 nan 0.000 0.440 532 Y N 0.596 120.901 120.300 0.008 0.000 2.114 532 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 532 Y C 1.794 177.626 175.900 -0.114 0.000 1.143 532 Y CA 1.555 59.572 58.100 -0.138 0.000 1.135 532 Y CB -0.353 37.918 38.460 -0.314 0.000 0.980 532 Y HN -0.128 nan 8.280 nan 0.000 0.499 533 F N 0.024 120.089 119.950 0.192 0.000 2.234 533 F HA -0.053 4.473 4.527 -0.000 0.000 0.299 533 F C 2.561 178.460 175.800 0.165 0.000 1.087 533 F CA 0.980 59.089 58.000 0.181 0.000 1.340 533 F CB -1.167 37.935 39.000 0.170 0.000 1.031 533 F HN 0.172 nan 8.300 nan 0.000 0.500 534 A N 0.351 123.374 122.820 0.340 0.000 1.917 534 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 534 A C 2.596 180.282 177.584 0.170 0.000 1.182 534 A CA 1.886 54.104 52.037 0.302 0.000 0.633 534 A CB -1.591 17.645 19.000 0.394 0.000 0.819 534 A HN 0.399 nan 8.150 nan 0.000 0.448 535 G N -2.346 106.477 108.800 0.039 0.000 2.448 535 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 535 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 535 G C 1.330 176.101 174.900 -0.216 0.000 1.127 535 G CA 0.734 45.742 45.100 -0.153 0.000 0.766 535 G HN 0.696 nan 8.290 nan 0.000 0.552 536 W N -0.110 121.127 121.300 -0.105 0.000 2.584 536 W HA 0.033 4.693 4.660 0.000 0.000 0.264 536 W C 2.535 179.059 176.519 0.008 0.000 1.264 536 W CA -0.120 57.189 57.345 -0.060 0.000 1.306 536 W CB -0.112 29.347 29.460 -0.001 0.000 1.110 536 W HN 0.149 nan 8.180 nan 0.000 0.606 537 C N 0.717 120.164 119.300 0.246 0.000 2.393 537 C HA -0.239 4.221 4.460 -0.000 0.000 0.276 537 C C 1.936 176.997 174.990 0.118 0.000 1.215 537 C CA 1.834 60.950 59.018 0.164 0.000 1.743 537 C CB -1.249 26.549 27.740 0.096 0.000 2.044 537 C HN 0.455 nan 8.230 nan 0.000 0.464 538 D N -0.278 120.170 120.400 0.081 0.000 2.336 538 D HA 0.019 4.659 4.640 -0.000 0.000 0.228 538 D C 0.948 177.291 176.300 0.072 0.000 1.120 538 D CA 0.334 54.365 54.000 0.051 0.000 0.839 538 D CB -0.595 40.210 40.800 0.010 0.000 0.932 538 D HN 0.459 nan 8.370 nan 0.000 0.509 539 K N -0.140 120.352 120.400 0.153 0.000 2.447 539 K HA 0.297 4.617 4.320 -0.000 0.000 0.205 539 K C 0.182 176.992 176.600 0.349 0.000 1.059 539 K CA -0.337 56.077 56.287 0.213 0.000 1.065 539 K CB 1.234 33.806 32.500 0.119 0.000 0.885 539 K HN 0.109 nan 8.250 nan 0.000 0.545 540 I N 2.698 123.424 120.570 0.261 0.000 2.436 540 I HA 0.016 4.186 4.170 -0.000 0.000 0.289 540 I C -0.191 175.987 176.117 0.101 0.000 1.083 540 I CA 0.327 61.718 61.300 0.152 0.000 1.372 540 I CB 0.553 38.614 38.000 0.102 0.000 1.408 540 I HN 0.030 nan 8.210 nan 0.000 0.516 541 Q N 4.328 124.178 119.800 0.083 0.000 2.375 541 Q HA 0.520 4.860 4.340 -0.000 0.000 0.271 541 Q C 0.135 176.162 176.000 0.045 0.000 1.074 541 Q CA -0.729 55.113 55.803 0.065 0.000 0.808 541 Q CB 2.602 31.384 28.738 0.074 0.000 1.327 541 Q HN 0.762 nan 8.270 nan 0.000 0.441 542 G N 0.565 109.389 108.800 0.040 0.000 2.531 542 G HA2 0.726 4.686 3.960 -0.000 0.000 0.253 542 G HA3 0.726 4.686 3.960 -0.000 0.000 0.253 542 G C -1.012 173.909 174.900 0.035 0.000 1.439 542 G CA -0.158 44.963 45.100 0.035 0.000 1.056 542 G HN 0.626 nan 8.290 nan 0.000 0.555 543 A N -1.304 121.537 122.820 0.035 0.000 2.430 543 A HA 0.833 5.153 4.320 -0.000 0.000 0.300 543 A C -0.101 177.506 177.584 0.038 0.000 1.124 543 A CA -0.096 51.960 52.037 0.033 0.000 0.766 543 A CB 1.545 20.562 19.000 0.029 0.000 1.328 543 A HN 1.396 nan 8.150 nan 0.000 0.424 544 T N -0.796 113.777 114.554 0.033 0.000 2.841 544 T HA 0.744 5.094 4.350 -0.000 0.000 0.283 544 T C -0.635 174.085 174.700 0.034 0.000 1.000 544 T CA -0.315 61.807 62.100 0.036 0.000 0.977 544 T CB 0.607 69.489 68.868 0.024 0.000 0.979 544 T HN 0.462 nan 8.240 nan 0.000 0.446 545 I N 4.097 124.692 120.570 0.042 0.000 2.466 545 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 545 I C -2.203 173.937 176.117 0.038 0.000 1.026 545 I CA -2.760 58.562 61.300 0.037 0.000 1.078 545 I CB 2.947 40.969 38.000 0.037 0.000 1.249 545 I HN 0.485 nan 8.210 nan 0.000 0.429 546 P HA 0.131 nan 4.420 nan 0.000 0.225 546 P C -0.173 177.140 177.300 0.023 0.000 1.813 546 P CA -0.213 62.902 63.100 0.025 0.000 1.013 546 P CB -0.446 31.264 31.700 0.018 0.000 1.961 547 I N -1.165 119.423 120.570 0.030 0.000 3.060 547 I HA 0.184 4.354 4.170 -0.000 0.000 0.285 547 I C 0.124 176.250 176.117 0.015 0.000 1.190 547 I CA -0.506 60.809 61.300 0.024 0.000 1.363 547 I CB -0.416 37.605 38.000 0.035 0.000 1.396 547 I HN 0.064 nan 8.210 nan 0.000 0.607 548 N N 3.247 121.952 118.700 0.008 0.000 2.458 548 N HA -0.005 4.735 4.740 -0.000 0.000 0.258 548 N C -0.398 175.109 175.510 -0.005 0.000 1.219 548 N CA -0.248 52.802 53.050 -0.000 0.000 0.902 548 N CB 0.469 38.955 38.487 -0.002 0.000 1.076 548 N HN 0.517 nan 8.380 nan 0.000 0.455 549 Q N 1.200 120.989 119.800 -0.017 0.000 2.256 549 Q HA 0.237 4.577 4.340 -0.000 0.000 0.254 549 Q C -0.521 175.457 176.000 -0.037 0.000 0.916 549 Q CA -0.405 55.376 55.803 -0.036 0.000 0.932 549 Q CB 1.618 30.323 28.738 -0.056 0.000 1.207 549 Q HN 0.594 nan 8.270 nan 0.000 0.426 550 A N 4.468 127.263 122.820 -0.042 0.000 3.026 550 A HA 0.098 4.418 4.320 -0.000 0.000 0.272 550 A C 0.213 177.769 177.584 -0.047 0.000 1.782 550 A CA -0.347 51.669 52.037 -0.035 0.000 1.451 550 A CB -0.259 18.726 19.000 -0.026 0.000 1.081 550 A HN 0.347 nan 8.150 nan 0.000 0.611 551 R N 1.697 122.171 120.500 -0.043 0.000 2.623 551 R HA 0.124 4.463 4.340 -0.000 0.000 0.271 551 R C -1.450 174.829 176.300 -0.035 0.000 1.043 551 R CA -1.622 54.451 56.100 -0.045 0.000 1.083 551 R CB -0.069 30.209 30.300 -0.036 0.000 0.974 551 R HN 0.456 nan 8.270 nan 0.000 0.436 552 P HA 0.020 nan 4.420 nan 0.000 0.245 552 P C -0.462 176.798 177.300 -0.066 0.000 1.212 552 P CA 0.254 63.328 63.100 -0.043 0.000 0.774 552 P CB 0.403 32.086 31.700 -0.030 0.000 0.999 553 N N 1.078 119.731 118.700 -0.078 0.000 2.405 553 N HA 0.266 5.006 4.740 -0.000 0.000 0.269 553 N C 0.405 175.791 175.510 -0.206 0.000 1.249 553 N CA -0.303 52.671 53.050 -0.126 0.000 0.974 553 N CB 1.105 39.538 38.487 -0.090 0.000 1.204 553 N HN 0.015 nan 8.380 nan 0.000 0.565 554 R N 0.057 120.320 120.500 -0.396 0.000 2.832 554 R HA 0.464 4.804 4.340 -0.000 0.000 0.271 554 R C -0.791 175.205 176.300 -0.508 0.000 0.996 554 R CA -0.681 55.083 56.100 -0.561 0.000 0.977 554 R CB 1.164 30.840 30.300 -1.041 0.000 1.168 554 R HN 0.584 nan 8.270 nan 0.000 0.482 555 N N 0.245 118.804 118.700 -0.235 0.000 2.229 555 N HA 0.441 5.181 4.740 -0.000 0.000 0.298 555 N C -1.890 173.749 175.510 0.216 0.000 1.114 555 N CA -0.734 52.343 53.050 0.046 0.000 0.776 555 N CB 2.049 40.569 38.487 0.054 0.000 1.501 555 N HN 0.198 nan 8.380 nan 0.000 0.474 556 L N 0.799 122.233 121.223 0.352 0.000 2.381 556 L HA 0.696 5.036 4.340 -0.000 0.000 0.274 556 L C -1.181 175.862 176.870 0.287 0.000 0.988 556 L CA 0.000 54.984 54.840 0.240 0.000 0.824 556 L CB 1.890 43.965 42.059 0.025 0.000 1.263 556 L HN 0.525 nan 8.230 nan 0.000 0.410 557 T N 6.316 120.983 114.554 0.187 0.000 2.812 557 T HA 0.748 5.098 4.350 -0.000 0.000 0.282 557 T C -0.836 173.948 174.700 0.140 0.000 0.990 557 T CA -0.329 61.878 62.100 0.179 0.000 0.960 557 T CB 1.196 70.131 68.868 0.111 0.000 0.948 557 T HN 0.641 nan 8.240 nan 0.000 0.438 558 L N 0.825 122.145 121.223 0.161 0.000 2.327 558 L HA 1.018 5.357 4.340 -0.000 0.000 0.258 558 L C -0.052 176.871 176.870 0.089 0.000 1.024 558 L CA -0.896 54.013 54.840 0.115 0.000 0.825 558 L CB 1.421 43.560 42.059 0.132 0.000 1.386 558 L HN 0.606 nan 8.230 nan 0.000 0.417 559 T N -1.896 112.696 114.554 0.064 0.000 2.885 559 T HA 0.641 4.991 4.350 -0.000 0.000 0.285 559 T C -0.715 174.014 174.700 0.048 0.000 1.019 559 T CA -0.759 61.371 62.100 0.049 0.000 1.010 559 T CB 1.688 70.577 68.868 0.035 0.000 1.022 559 T HN 0.891 nan 8.240 nan 0.000 0.466 560 K N 1.577 122.002 120.400 0.042 0.000 2.292 560 K HA 0.378 4.697 4.320 -0.000 0.000 0.257 560 K C -0.611 176.011 176.600 0.037 0.000 0.940 560 K CA -0.906 55.405 56.287 0.041 0.000 0.811 560 K CB 0.866 33.390 32.500 0.040 0.000 1.120 560 K HN 0.437 nan 8.250 nan 0.000 0.428 561 K N 3.513 123.936 120.400 0.037 0.000 2.276 561 K HA 0.211 4.531 4.320 -0.000 0.000 0.285 561 K C -0.563 176.068 176.600 0.050 0.000 1.062 561 K CA -0.096 56.214 56.287 0.038 0.000 0.918 561 K CB 1.309 33.829 32.500 0.034 0.000 1.055 561 K HN 0.665 nan 8.250 nan 0.000 0.477 562 E N 2.936 123.173 120.200 0.061 0.000 2.336 562 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 562 E C -2.494 174.177 176.600 0.118 0.000 0.906 562 E CA -2.287 54.165 56.400 0.088 0.000 0.781 562 E CB 1.897 31.651 29.700 0.089 0.000 1.261 562 E HN 0.207 nan 8.360 nan 0.000 0.436 563 P HA -0.074 nan 4.420 nan 0.000 0.270 563 P C 0.820 178.207 177.300 0.144 0.000 1.223 563 P CA -0.111 63.112 63.100 0.205 0.000 0.785 563 P CB 0.568 32.501 31.700 0.389 0.000 0.923 564 V N -0.815 119.134 119.914 0.059 0.000 2.649 564 V HA 0.301 4.421 4.120 -0.000 0.000 0.248 564 V C 1.050 177.050 176.094 -0.156 0.000 1.054 564 V CA 1.548 63.844 62.300 -0.007 0.000 1.073 564 V CB -1.512 30.315 31.823 0.006 0.000 0.699 564 V HN 0.855 nan 8.190 nan 0.000 0.463 565 G N -0.281 108.260 108.800 -0.432 0.000 2.317 565 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.196 565 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.196 565 G C -0.564 173.928 174.900 -0.681 0.000 1.255 565 G CA -0.344 44.110 45.100 -1.077 0.000 1.243 565 G HN 0.714 nan 8.290 nan 0.000 0.535 566 V N 0.907 120.559 119.914 -0.436 0.000 2.508 566 V HA 0.424 4.544 4.120 -0.000 0.000 0.281 566 V C 0.653 176.681 176.094 -0.110 0.000 1.041 566 V CA -0.025 62.144 62.300 -0.217 0.000 1.016 566 V CB 0.303 32.040 31.823 -0.144 0.000 0.984 566 V HN 0.858 nan 8.190 nan 0.000 0.478 567 C N 4.034 123.306 119.300 -0.047 0.000 2.435 567 C HA 0.841 5.301 4.460 -0.000 0.000 0.333 567 C C 0.807 175.819 174.990 0.035 0.000 1.202 567 C CA -0.782 58.258 59.018 0.036 0.000 1.830 567 C CB 1.137 28.965 27.740 0.146 0.000 2.326 567 C HN 1.024 nan 8.230 nan 0.000 0.507 568 G N 1.843 110.678 108.800 0.057 0.000 2.415 568 G HA2 0.726 4.686 3.960 -0.000 0.000 0.327 568 G HA3 0.726 4.686 3.960 -0.000 0.000 0.327 568 G C -0.871 174.088 174.900 0.099 0.000 1.182 568 G CA -0.386 44.751 45.100 0.060 0.000 0.924 568 G HN 0.934 nan 8.290 nan 0.000 0.470 569 I N -0.195 120.429 120.570 0.091 0.000 2.533 569 I HA 0.732 4.902 4.170 -0.000 0.000 0.290 569 I C -1.218 174.945 176.117 0.075 0.000 1.056 569 I CA -1.242 60.117 61.300 0.099 0.000 1.057 569 I CB 2.457 40.512 38.000 0.090 0.000 1.240 569 I HN 0.151 nan 8.210 nan 0.000 0.423 570 V N 6.729 126.689 119.914 0.077 0.000 2.384 570 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 570 V C 0.004 176.035 176.094 -0.106 0.000 1.020 570 V CA -0.475 61.852 62.300 0.045 0.000 0.850 570 V CB 1.562 33.514 31.823 0.215 0.000 0.987 570 V HN 0.495 nan 8.190 nan 0.000 0.436 571 I N 7.523 128.037 120.570 -0.093 0.000 2.404 571 I HA 0.505 4.675 4.170 -0.000 0.000 0.293 571 I C -2.024 173.995 176.117 -0.163 0.000 0.992 571 I CA -2.618 58.600 61.300 -0.137 0.000 1.149 571 I CB 1.815 39.765 38.000 -0.084 0.000 1.315 571 I HN 0.402 nan 8.210 nan 0.000 0.446 572 P HA 0.146 nan 4.420 nan 0.000 0.279 572 P C 0.459 177.658 177.300 -0.169 0.000 1.282 572 P CA -0.227 62.680 63.100 -0.322 0.000 0.788 572 P CB 0.813 32.223 31.700 -0.484 0.000 1.139 573 W N 0.713 121.972 121.300 -0.069 0.000 3.197 573 W HA 0.038 4.698 4.660 -0.000 0.000 0.274 573 W C 0.982 177.499 176.519 -0.004 0.000 1.297 573 W CA 0.140 57.467 57.345 -0.029 0.000 1.662 573 W CB -1.493 27.950 29.460 -0.028 0.000 1.106 573 W HN 0.256 nan 8.180 nan 0.000 0.663 574 N N 2.104 120.729 118.700 -0.125 0.000 2.171 574 N HA -0.210 4.530 4.740 -0.000 0.000 0.184 574 N C -0.315 175.037 175.510 -0.263 0.000 1.021 574 N CA 1.074 54.048 53.050 -0.127 0.000 0.854 574 N CB -1.173 37.160 38.487 -0.256 0.000 0.994 574 N HN 0.183 nan 8.380 nan 0.000 0.426 575 Y N -0.084 120.134 120.300 -0.137 0.000 2.705 575 Y HA 0.447 4.997 4.550 -0.000 0.000 0.355 575 Y C -1.819 173.995 175.900 -0.144 0.000 1.039 575 Y CA -2.129 55.850 58.100 -0.201 0.000 1.233 575 Y CB 2.030 40.167 38.460 -0.539 0.000 1.103 575 Y HN -0.026 nan 8.280 nan 0.000 0.624 576 P HA -0.232 nan 4.420 nan 0.000 0.213 576 P C 1.820 179.115 177.300 -0.008 0.000 1.170 576 P CA 1.165 64.298 63.100 0.054 0.000 0.902 576 P CB 0.481 32.242 31.700 0.103 0.000 0.789 577 L N -1.834 119.409 121.223 0.034 0.000 2.109 577 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 577 L C 2.410 179.223 176.870 -0.094 0.000 1.086 577 L CA 1.727 56.554 54.840 -0.021 0.000 0.760 577 L CB -1.063 41.030 42.059 0.057 0.000 0.910 577 L HN -0.126 nan 8.230 nan 0.000 0.437 578 M N -1.719 117.806 119.600 -0.126 0.000 2.099 578 M HA -0.211 4.268 4.480 -0.000 0.000 0.262 578 M C 2.019 177.960 176.300 -0.599 0.000 1.067 578 M CA 1.666 56.777 55.300 -0.315 0.000 1.124 578 M CB 0.001 32.326 32.600 -0.458 0.000 1.353 578 M HN 0.262 nan 8.290 nan 0.000 0.410 579 M N -0.102 119.140 119.600 -0.597 0.000 2.175 579 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 579 M C 2.213 178.344 176.300 -0.282 0.000 1.063 579 M CA 1.398 56.343 55.300 -0.592 0.000 1.119 579 M CB -1.472 30.867 32.600 -0.436 0.000 1.377 579 M HN 0.424 nan 8.290 nan 0.000 0.415 580 L N -0.154 120.936 121.223 -0.221 0.000 2.012 580 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 580 L C 2.415 179.177 176.870 -0.180 0.000 1.073 580 L CA 1.461 56.187 54.840 -0.190 0.000 0.748 580 L CB -0.235 41.680 42.059 -0.240 0.000 0.891 580 L HN 0.201 nan 8.230 nan 0.000 0.431 581 S N -0.863 114.746 115.700 -0.152 0.000 2.368 581 S HA -0.176 4.293 4.470 -0.000 0.000 0.224 581 S C 1.438 175.974 174.600 -0.108 0.000 1.029 581 S CA 1.347 59.494 58.200 -0.088 0.000 0.988 581 S CB -0.501 62.763 63.200 0.106 0.000 0.838 581 S HN 0.541 nan 8.310 nan 0.000 0.462 582 W N 2.201 123.360 121.300 -0.235 0.000 2.301 582 W HA -0.111 4.549 4.660 -0.000 0.000 0.325 582 W C 2.300 178.671 176.519 -0.246 0.000 1.250 582 W CA 0.851 58.077 57.345 -0.198 0.000 1.261 582 W CB -0.932 28.415 29.460 -0.190 0.000 1.157 582 W HN 0.314 nan 8.180 nan 0.000 0.473 583 K N -1.411 119.014 120.400 0.042 0.000 2.076 583 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 583 K C 1.939 178.403 176.600 -0.226 0.000 1.051 583 K CA 1.745 58.013 56.287 -0.032 0.000 0.949 583 K CB -0.694 31.840 32.500 0.057 0.000 0.726 583 K HN 0.016 nan 8.250 nan 0.000 0.443 584 T N 1.302 115.745 114.554 -0.185 0.000 2.777 584 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 584 T C 2.029 176.598 174.700 -0.218 0.000 1.040 584 T CA 1.326 63.345 62.100 -0.135 0.000 1.141 584 T CB -0.188 68.704 68.868 0.040 0.000 0.868 584 T HN 0.294 nan 8.240 nan 0.000 0.444 585 A N 1.439 123.962 122.820 -0.495 0.000 1.902 585 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 585 A C 2.623 179.915 177.584 -0.487 0.000 1.181 585 A CA 1.789 53.484 52.037 -0.569 0.000 0.623 585 A CB -1.062 17.416 19.000 -0.870 0.000 0.818 585 A HN 0.498 nan 8.150 nan 0.000 0.443 586 A N -1.142 121.143 122.820 -0.891 0.000 1.898 586 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 586 A C 2.396 179.561 177.584 -0.698 0.000 1.181 586 A CA 1.601 52.996 52.037 -1.069 0.000 0.620 586 A CB -1.410 16.969 19.000 -1.034 0.000 0.819 586 A HN 0.793 nan 8.150 nan 0.000 0.442 587 C N -0.277 118.432 119.300 -0.986 0.000 2.413 587 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 587 C C 2.617 177.439 174.990 -0.280 0.000 1.228 587 C CA 1.332 59.705 59.018 -1.075 0.000 1.731 587 C CB -1.502 25.689 27.740 -0.915 0.000 2.042 587 C HN 0.582 nan 8.230 nan 0.000 0.468 588 L N 1.083 122.263 121.223 -0.070 0.000 2.093 588 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 588 L C 3.028 180.117 176.870 0.366 0.000 1.085 588 L CA 1.484 56.503 54.840 0.299 0.000 0.755 588 L CB -0.888 41.396 42.059 0.376 0.000 0.904 588 L HN 0.460 nan 8.230 nan 0.000 0.435 589 A N 0.294 123.224 122.820 0.184 0.000 1.972 589 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 589 A C 2.375 180.042 177.584 0.139 0.000 1.169 589 A CA 1.616 53.772 52.037 0.199 0.000 0.635 589 A CB -0.506 18.639 19.000 0.242 0.000 0.810 589 A HN 0.395 nan 8.150 nan 0.000 0.446 590 A N -1.968 120.908 122.820 0.094 0.000 2.235 590 A HA 0.401 4.721 4.320 -0.000 0.000 0.208 590 A C 1.760 179.426 177.584 0.137 0.000 1.172 590 A CA 1.248 53.346 52.037 0.103 0.000 0.786 590 A CB -0.840 18.225 19.000 0.109 0.000 0.804 590 A HN 1.875 nan 8.150 nan 0.000 0.479 591 G N -0.964 107.946 108.800 0.183 0.000 2.159 591 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 591 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 591 G C -0.001 175.206 174.900 0.512 0.000 0.986 591 G CA 0.061 45.280 45.100 0.198 0.000 0.651 591 G HN 0.498 nan 8.290 nan 0.000 0.523 592 N N 0.568 119.530 118.700 0.438 0.000 2.413 592 N HA 0.601 5.341 4.740 -0.000 0.000 0.266 592 N C 0.559 176.277 175.510 0.346 0.000 1.238 592 N CA 0.778 54.003 53.050 0.292 0.000 0.972 592 N CB 0.979 39.519 38.487 0.087 0.000 1.210 592 N HN 0.552 nan 8.380 nan 0.000 0.547 593 T N -3.265 111.358 114.554 0.115 0.000 2.930 593 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 593 T C -0.440 174.239 174.700 -0.034 0.000 1.052 593 T CA -0.780 61.328 62.100 0.013 0.000 1.017 593 T CB 1.571 70.466 68.868 0.047 0.000 1.137 593 T HN 0.229 nan 8.240 nan 0.000 0.511 594 V N 0.745 120.632 119.914 -0.044 0.000 2.971 594 V HA 0.681 4.801 4.120 -0.000 0.000 0.309 594 V C -1.479 174.611 176.094 -0.006 0.000 1.130 594 V CA -0.732 61.558 62.300 -0.017 0.000 0.964 594 V CB 2.316 34.136 31.823 -0.004 0.000 1.029 594 V HN 0.985 nan 8.190 nan 0.000 0.427 595 V N 7.193 127.108 119.914 0.002 0.000 2.409 595 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 595 V C -0.178 175.941 176.094 0.042 0.000 1.020 595 V CA -0.400 61.909 62.300 0.015 0.000 0.848 595 V CB 1.471 33.287 31.823 -0.013 0.000 0.990 595 V HN 0.669 nan 8.190 nan 0.000 0.430 596 I N 4.545 125.152 120.570 0.063 0.000 2.354 596 I HA 0.478 4.647 4.170 -0.000 0.000 0.292 596 I C -0.098 176.062 176.117 0.071 0.000 0.989 596 I CA -0.771 60.568 61.300 0.065 0.000 1.188 596 I CB 1.756 39.801 38.000 0.075 0.000 1.342 596 I HN 0.422 nan 8.210 nan 0.000 0.457 597 K N 9.635 130.073 120.400 0.063 0.000 2.414 597 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 597 K C -2.620 174.013 176.600 0.055 0.000 1.037 597 K CA -2.310 54.018 56.287 0.068 0.000 0.980 597 K CB 0.804 33.349 32.500 0.075 0.000 1.280 597 K HN 0.131 nan 8.250 nan 0.000 0.451 598 P HA 0.150 nan 4.420 nan 0.000 0.276 598 P C -0.628 176.714 177.300 0.070 0.000 1.244 598 P CA -0.544 62.592 63.100 0.060 0.000 0.801 598 P CB 0.920 32.670 31.700 0.084 0.000 1.006 599 A N 1.787 124.652 122.820 0.076 0.000 2.531 599 A HA -0.073 4.247 4.320 -0.000 0.000 0.236 599 A C 1.749 179.374 177.584 0.069 0.000 1.062 599 A CA 0.145 52.240 52.037 0.097 0.000 0.760 599 A CB -0.551 18.574 19.000 0.208 0.000 0.995 599 A HN 0.705 nan 8.150 nan 0.000 0.501 600 Q N 1.407 121.203 119.800 -0.008 0.000 2.096 600 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 600 Q C 1.579 177.592 176.000 0.022 0.000 0.982 600 Q CA 2.521 58.270 55.803 -0.090 0.000 0.850 600 Q CB -0.339 28.225 28.738 -0.289 0.000 0.901 600 Q HN 0.983 nan 8.270 nan 0.000 0.422 601 V N -2.013 117.850 119.914 -0.086 0.000 3.141 601 V HA 0.028 4.148 4.120 -0.000 0.000 0.265 601 V C 0.925 177.031 176.094 0.021 0.000 1.126 601 V CA 1.157 63.389 62.300 -0.113 0.000 1.141 601 V CB -0.389 31.122 31.823 -0.521 0.000 0.743 601 V HN 0.426 nan 8.190 nan 0.000 0.492 602 T N -2.218 112.390 114.554 0.090 0.000 3.542 602 T HA 0.469 4.819 4.350 -0.000 0.000 0.276 602 T C -1.625 173.150 174.700 0.126 0.000 1.412 602 T CA -0.684 61.486 62.100 0.116 0.000 1.664 602 T CB 1.265 70.223 68.868 0.150 0.000 0.863 602 T HN 0.360 nan 8.240 nan 0.000 0.661 603 P HA 0.197 nan 4.420 nan 0.000 0.230 603 P C 1.500 178.871 177.300 0.120 0.000 1.168 603 P CA -0.019 63.169 63.100 0.147 0.000 0.793 603 P CB 0.342 32.155 31.700 0.189 0.000 0.851 604 L N 0.291 121.573 121.223 0.099 0.000 2.072 604 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 604 L C 2.689 179.616 176.870 0.096 0.000 1.079 604 L CA 2.284 57.177 54.840 0.089 0.000 0.752 604 L CB -1.722 40.378 42.059 0.068 0.000 0.906 604 L HN 0.085 nan 8.230 nan 0.000 0.436 605 T N -2.522 112.089 114.554 0.095 0.000 2.904 605 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 605 T C 1.970 176.747 174.700 0.129 0.000 1.059 605 T CA 0.781 62.944 62.100 0.103 0.000 1.137 605 T CB -0.284 68.641 68.868 0.096 0.000 0.879 605 T HN 0.286 nan 8.240 nan 0.000 0.467 606 A N 2.005 124.894 122.820 0.115 0.000 1.883 606 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 606 A C 2.419 180.120 177.584 0.195 0.000 1.186 606 A CA 1.421 53.541 52.037 0.139 0.000 0.624 606 A CB -0.920 18.142 19.000 0.104 0.000 0.822 606 A HN 0.547 nan 8.150 nan 0.000 0.444 607 L N -1.197 120.125 121.223 0.166 0.000 2.093 607 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 607 L C 2.566 179.525 176.870 0.148 0.000 1.085 607 L CA 1.649 56.606 54.840 0.195 0.000 0.755 607 L CB -0.392 41.783 42.059 0.194 0.000 0.904 607 L HN 0.315 nan 8.230 nan 0.000 0.435 608 K N 0.625 121.087 120.400 0.104 0.000 2.057 608 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 608 K C 1.995 178.604 176.600 0.014 0.000 1.050 608 K CA 1.413 57.732 56.287 0.053 0.000 0.935 608 K CB -0.518 32.016 32.500 0.057 0.000 0.715 608 K HN 0.115 nan 8.250 nan 0.000 0.439 609 F N 0.855 120.759 119.950 -0.076 0.000 2.091 609 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 609 F C 1.838 177.503 175.800 -0.225 0.000 1.103 609 F CA 1.937 59.860 58.000 -0.130 0.000 1.228 609 F CB -0.762 38.194 39.000 -0.074 0.000 0.984 609 F HN 0.087 nan 8.300 nan 0.000 0.477 610 A N 0.013 122.640 122.820 -0.321 0.000 1.908 610 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 610 A C 2.284 179.337 177.584 -0.886 0.000 1.181 610 A CA 1.954 53.452 52.037 -0.897 0.000 0.627 610 A CB -1.184 17.093 19.000 -1.206 0.000 0.818 610 A HN 0.632 nan 8.150 nan 0.000 0.445 611 E N -0.089 119.930 120.200 -0.301 0.000 2.110 611 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 611 E C 1.870 178.336 176.600 -0.223 0.000 0.988 611 E CA 1.157 57.514 56.400 -0.071 0.000 0.804 611 E CB -0.216 29.537 29.700 0.088 0.000 0.745 611 E HN 0.664 nan 8.360 nan 0.000 0.458 612 L N 0.791 121.795 121.223 -0.364 0.000 2.201 612 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 612 L C 2.860 179.477 176.870 -0.423 0.000 1.105 612 L CA 1.476 56.070 54.840 -0.411 0.000 0.775 612 L CB -0.849 40.938 42.059 -0.454 0.000 0.913 612 L HN 0.337 nan 8.230 nan 0.000 0.440 613 T N -1.972 112.239 114.554 -0.571 0.000 2.867 613 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 613 T C 1.843 176.419 174.700 -0.208 0.000 1.057 613 T CA 0.811 62.640 62.100 -0.451 0.000 1.136 613 T CB -0.398 68.165 68.868 -0.508 0.000 0.874 613 T HN 0.240 nan 8.240 nan 0.000 0.466 614 L N 0.499 121.639 121.223 -0.139 0.000 2.017 614 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 614 L C 3.043 179.896 176.870 -0.029 0.000 1.073 614 L CA 1.581 56.409 54.840 -0.020 0.000 0.745 614 L CB -0.515 41.580 42.059 0.060 0.000 0.894 614 L HN 0.239 nan 8.230 nan 0.000 0.432 615 K N 0.245 120.610 120.400 -0.059 0.000 2.152 615 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 615 K C 2.020 178.605 176.600 -0.025 0.000 1.048 615 K CA 1.423 57.692 56.287 -0.030 0.000 0.933 615 K CB -0.227 32.247 32.500 -0.042 0.000 0.721 615 K HN 0.304 nan 8.250 nan 0.000 0.447 616 A N 0.373 123.154 122.820 -0.064 0.000 2.169 616 A HA 0.180 4.500 4.320 -0.000 0.000 0.212 616 A C 1.397 178.982 177.584 0.002 0.000 1.153 616 A CA 0.830 52.844 52.037 -0.037 0.000 0.756 616 A CB -0.158 18.788 19.000 -0.090 0.000 0.813 616 A HN 0.403 nan 8.150 nan 0.000 0.471 617 G N -0.470 108.328 108.800 -0.003 0.000 2.137 617 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.237 617 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.237 617 G C -0.051 174.873 174.900 0.041 0.000 1.002 617 G CA 0.022 45.138 45.100 0.027 0.000 0.702 617 G HN 0.307 nan 8.290 nan 0.000 0.515 618 I N 1.180 121.748 120.570 -0.004 0.000 2.598 618 I HA 0.166 4.335 4.170 -0.000 0.000 0.284 618 I C -1.417 174.678 176.117 -0.036 0.000 1.140 618 I CA -2.514 58.766 61.300 -0.033 0.000 1.420 618 I CB -0.140 37.762 38.000 -0.163 0.000 1.387 618 I HN -0.072 nan 8.210 nan 0.000 0.553 619 P HA -0.025 nan 4.420 nan 0.000 0.265 619 P C -0.324 176.939 177.300 -0.063 0.000 1.187 619 P CA -0.067 63.040 63.100 0.013 0.000 0.766 619 P CB 0.312 32.075 31.700 0.106 0.000 0.820 620 K N 2.312 122.678 120.400 -0.057 0.000 2.451 620 K HA 0.229 4.549 4.320 -0.000 0.000 0.280 620 K C 1.586 178.110 176.600 -0.127 0.000 1.020 620 K CA 0.984 57.203 56.287 -0.113 0.000 1.008 620 K CB -0.728 31.702 32.500 -0.117 0.000 0.917 620 K HN 0.862 nan 8.250 nan 0.000 0.478 621 G N 0.998 109.689 108.800 -0.182 0.000 2.217 621 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 621 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 621 G C 0.948 175.767 174.900 -0.135 0.000 0.990 621 G CA 0.181 45.188 45.100 -0.154 0.000 0.627 621 G HN 0.343 nan 8.290 nan 0.000 0.522 622 V N -0.012 119.786 119.914 -0.193 0.000 2.358 622 V HA 0.073 4.193 4.120 -0.000 0.000 0.246 622 V C 1.526 177.486 176.094 -0.223 0.000 1.047 622 V CA 1.951 64.052 62.300 -0.331 0.000 1.035 622 V CB 0.066 31.450 31.823 -0.732 0.000 0.658 622 V HN 0.354 nan 8.190 nan 0.000 0.452 623 V N 1.756 121.600 119.914 -0.116 0.000 2.448 623 V HA 0.477 4.596 4.120 -0.000 0.000 0.295 623 V C -0.640 175.531 176.094 0.128 0.000 1.025 623 V CA -0.697 61.624 62.300 0.035 0.000 0.859 623 V CB 1.647 33.524 31.823 0.090 0.000 0.988 623 V HN 0.468 nan 8.190 nan 0.000 0.431 624 N N 5.309 124.076 118.700 0.111 0.000 2.249 624 N HA 0.652 5.392 4.740 -0.000 0.000 0.296 624 N C -1.382 174.220 175.510 0.154 0.000 1.051 624 N CA -0.479 52.632 53.050 0.102 0.000 0.815 624 N CB 3.129 41.597 38.487 -0.032 0.000 1.487 624 N HN 0.451 nan 8.380 nan 0.000 0.475 625 I N 2.022 122.712 120.570 0.201 0.000 2.499 625 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 625 I C -0.633 175.569 176.117 0.142 0.000 1.048 625 I CA -0.596 60.806 61.300 0.171 0.000 1.062 625 I CB 2.161 40.276 38.000 0.192 0.000 1.238 625 I HN 0.261 nan 8.210 nan 0.000 0.426 626 L N 7.881 129.174 121.223 0.116 0.000 2.457 626 L HA 0.385 4.725 4.340 -0.000 0.000 0.252 626 L C -2.357 174.587 176.870 0.123 0.000 1.132 626 L CA -1.633 53.272 54.840 0.107 0.000 0.938 626 L CB 1.158 43.263 42.059 0.076 0.000 1.246 626 L HN 0.257 nan 8.230 nan 0.000 0.476 627 P HA 0.394 nan 4.420 nan 0.000 0.272 627 P C 0.198 177.620 177.300 0.204 0.000 1.223 627 P CA 0.401 63.625 63.100 0.208 0.000 0.784 627 P CB 2.049 33.913 31.700 0.274 0.000 0.923 628 G N 0.307 109.178 108.800 0.118 0.000 2.334 628 G HA2 0.078 4.038 3.960 -0.000 0.000 0.249 628 G HA3 0.078 4.038 3.960 -0.000 0.000 0.249 628 G C -0.938 173.849 174.900 -0.187 0.000 1.327 628 G CA -0.235 44.828 45.100 -0.061 0.000 0.979 628 G HN 0.597 nan 8.290 nan 0.000 0.471 629 S N 0.493 116.101 115.700 -0.152 0.000 2.510 629 S HA 0.467 4.937 4.470 -0.000 0.000 0.279 629 S C 1.805 176.376 174.600 -0.048 0.000 1.284 629 S CA 0.960 59.085 58.200 -0.124 0.000 1.059 629 S CB 0.707 63.852 63.200 -0.092 0.000 0.901 629 S HN 1.970 nan 8.310 nan 0.000 0.491 630 G N 3.610 112.391 108.800 -0.033 0.000 2.446 630 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 630 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 630 G C 1.733 176.651 174.900 0.030 0.000 1.168 630 G CA 1.067 46.182 45.100 0.025 0.000 0.771 630 G HN 0.986 nan 8.290 nan 0.000 0.551 631 S N 0.540 116.244 115.700 0.006 0.000 2.356 631 S HA -0.064 4.406 4.470 -0.000 0.000 0.223 631 S C 2.344 176.946 174.600 0.004 0.000 1.032 631 S CA 1.278 59.478 58.200 0.001 0.000 1.005 631 S CB -0.509 62.681 63.200 -0.016 0.000 0.867 631 S HN 0.313 nan 8.310 nan 0.000 0.449 632 L N 1.200 122.422 121.223 -0.000 0.000 1.976 632 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 632 L C 2.544 179.428 176.870 0.024 0.000 1.071 632 L CA 1.619 56.464 54.840 0.008 0.000 0.746 632 L CB -0.398 41.663 42.059 0.003 0.000 0.890 632 L HN 0.248 nan 8.230 nan 0.000 0.432 633 V N -0.028 119.904 119.914 0.030 0.000 2.323 633 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 633 V C 2.639 178.766 176.094 0.055 0.000 1.041 633 V CA 1.709 64.036 62.300 0.045 0.000 1.025 633 V CB -1.384 30.468 31.823 0.049 0.000 0.656 633 V HN 0.652 nan 8.190 nan 0.000 0.451 634 G N -0.699 108.137 108.800 0.060 0.000 2.440 634 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 634 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 634 G C 1.534 176.461 174.900 0.045 0.000 1.154 634 G CA 1.226 46.369 45.100 0.071 0.000 0.767 634 G HN 0.495 nan 8.290 nan 0.000 0.552 635 Q N 0.197 120.015 119.800 0.030 0.000 2.050 635 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 635 Q C 2.569 178.591 176.000 0.037 0.000 0.980 635 Q CA 1.757 57.573 55.803 0.022 0.000 0.840 635 Q CB -0.300 28.445 28.738 0.011 0.000 0.898 635 Q HN 0.345 nan 8.270 nan 0.000 0.424 636 R N -0.142 120.387 120.500 0.048 0.000 2.075 636 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 636 R C 2.151 178.517 176.300 0.110 0.000 1.126 636 R CA 1.514 57.657 56.100 0.071 0.000 0.963 636 R CB -0.790 29.556 30.300 0.077 0.000 0.858 636 R HN 0.440 nan 8.270 nan 0.000 0.435 637 L N 0.359 121.636 121.223 0.090 0.000 2.042 637 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 637 L C 2.355 179.278 176.870 0.088 0.000 1.076 637 L CA 1.927 56.818 54.840 0.085 0.000 0.749 637 L CB -0.634 41.462 42.059 0.061 0.000 0.893 637 L HN 0.388 nan 8.230 nan 0.000 0.432 638 S N -1.732 114.007 115.700 0.065 0.000 2.453 638 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 638 S C 1.415 176.045 174.600 0.050 0.000 1.005 638 S CA 0.985 59.213 58.200 0.046 0.000 0.949 638 S CB -0.214 62.996 63.200 0.017 0.000 0.774 638 S HN 0.361 nan 8.310 nan 0.000 0.510 639 D N 0.387 120.822 120.400 0.058 0.000 2.305 639 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 639 D C 0.490 176.820 176.300 0.051 0.000 0.974 639 D CA 0.432 54.455 54.000 0.039 0.000 0.871 639 D CB -0.406 40.406 40.800 0.019 0.000 0.947 639 D HN 0.476 nan 8.370 nan 0.000 0.516 640 H N 2.019 121.094 119.070 0.008 0.000 2.886 640 H HA 0.021 4.576 4.556 -0.000 0.000 0.329 640 H C -1.508 173.824 175.328 0.007 0.000 1.044 640 H CA -1.056 54.997 56.048 0.008 0.000 1.456 640 H CB 1.699 31.467 29.762 0.010 0.000 1.464 640 H HN -0.073 nan 8.280 nan 0.000 0.573 641 P HA -0.067 nan 4.420 nan 0.000 0.226 641 P C 0.349 177.757 177.300 0.181 0.000 1.153 641 P CA 0.824 63.972 63.100 0.080 0.000 0.777 641 P CB 0.604 32.294 31.700 -0.015 0.000 0.794 642 D N -0.689 119.952 120.400 0.401 0.000 2.360 642 D HA 0.068 4.707 4.640 -0.000 0.000 0.210 642 D C 0.487 176.819 176.300 0.054 0.000 1.047 642 D CA 0.179 54.293 54.000 0.190 0.000 0.854 642 D CB 0.673 41.574 40.800 0.169 0.000 0.936 642 D HN 0.048 nan 8.370 nan 0.000 0.514 643 V N 1.831 121.784 119.914 0.064 0.000 2.546 643 V HA 0.176 4.295 4.120 -0.000 0.000 0.284 643 V C 1.295 177.398 176.094 0.013 0.000 1.050 643 V CA -0.198 62.099 62.300 -0.005 0.000 0.981 643 V CB 2.137 33.961 31.823 0.001 0.000 0.990 643 V HN -0.062 nan 8.190 nan 0.000 0.474 644 R N 2.453 122.943 120.500 -0.016 0.000 2.404 644 R HA 0.327 4.667 4.340 -0.000 0.000 0.237 644 R C 0.283 176.578 176.300 -0.008 0.000 0.907 644 R CA -0.015 56.077 56.100 -0.013 0.000 1.063 644 R CB 0.492 30.769 30.300 -0.039 0.000 1.134 644 R HN 0.523 nan 8.270 nan 0.000 0.529 645 K N 1.044 121.445 120.400 0.002 0.000 2.557 645 K HA 0.285 4.605 4.320 -0.000 0.000 0.257 645 K C -1.573 175.049 176.600 0.036 0.000 0.933 645 K CA -0.453 55.837 56.287 0.005 0.000 0.820 645 K CB 1.832 34.324 32.500 -0.014 0.000 1.330 645 K HN -0.167 nan 8.250 nan 0.000 0.432 646 I N 2.213 122.807 120.570 0.041 0.000 2.433 646 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 646 I C 0.540 176.709 176.117 0.086 0.000 1.001 646 I CA -0.577 60.769 61.300 0.077 0.000 1.119 646 I CB 1.523 39.570 38.000 0.078 0.000 1.289 646 I HN 0.716 nan 8.210 nan 0.000 0.438 647 G N 5.760 114.635 108.800 0.126 0.000 2.422 647 G HA2 0.562 4.522 3.960 -0.000 0.000 0.317 647 G HA3 0.562 4.522 3.960 -0.000 0.000 0.317 647 G C -1.554 173.452 174.900 0.178 0.000 1.210 647 G CA -0.281 44.897 45.100 0.129 0.000 0.930 647 G HN 0.376 nan 8.290 nan 0.000 0.468 648 F N 2.358 122.308 119.950 0.001 0.000 2.529 648 F HA 0.695 5.222 4.527 -0.000 0.000 0.320 648 F C -0.380 175.401 175.800 -0.033 0.000 1.118 648 F CA -0.519 57.472 58.000 -0.016 0.000 0.915 648 F CB 2.501 41.486 39.000 -0.026 0.000 1.161 648 F HN 0.355 nan 8.300 nan 0.000 0.445 649 T N 4.615 118.665 114.554 -0.842 0.000 2.841 649 T HA 0.811 5.161 4.350 -0.000 0.000 0.285 649 T C -0.169 173.829 174.700 -1.170 0.000 0.991 649 T CA -0.275 61.392 62.100 -0.722 0.000 0.966 649 T CB 1.302 69.964 68.868 -0.343 0.000 0.962 649 T HN 1.102 nan 8.240 nan 0.000 0.438 650 G N 1.788 110.087 108.800 -0.834 0.000 2.399 650 G HA2 0.452 4.412 3.960 -0.000 0.000 0.256 650 G HA3 0.452 4.412 3.960 -0.000 0.000 0.256 650 G C -0.594 174.256 174.900 -0.082 0.000 1.236 650 G CA -0.221 44.565 45.100 -0.523 0.000 0.914 650 G HN 0.944 nan 8.290 nan 0.000 0.482 651 S N -0.509 115.252 115.700 0.102 0.000 2.592 651 S HA 0.462 4.931 4.470 -0.000 0.000 0.271 651 S C 1.426 176.142 174.600 0.193 0.000 1.326 651 S CA 1.057 59.315 58.200 0.097 0.000 1.024 651 S CB 1.274 64.528 63.200 0.091 0.000 0.921 651 S HN 0.884 nan 8.310 nan 0.000 0.527 652 T N 1.691 116.334 114.554 0.147 0.000 2.684 652 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 652 T C 1.619 176.385 174.700 0.110 0.000 1.036 652 T CA 1.484 63.676 62.100 0.153 0.000 1.148 652 T CB -0.405 68.588 68.868 0.208 0.000 0.863 652 T HN 0.664 nan 8.240 nan 0.000 0.436 653 E N 0.659 120.933 120.200 0.124 0.000 2.106 653 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 653 E C 2.527 179.229 176.600 0.171 0.000 0.984 653 E CA 0.595 57.085 56.400 0.150 0.000 0.806 653 E CB -0.494 29.292 29.700 0.144 0.000 0.750 653 E HN 0.327 nan 8.360 nan 0.000 0.458 654 V N 0.785 120.756 119.914 0.094 0.000 2.307 654 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 654 V C 2.426 178.326 176.094 -0.322 0.000 1.045 654 V CA 1.934 64.225 62.300 -0.015 0.000 1.024 654 V CB -1.091 30.795 31.823 0.106 0.000 0.651 654 V HN 0.312 nan 8.190 nan 0.000 0.449 655 G N -0.125 108.455 108.800 -0.366 0.000 2.440 655 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 655 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 655 G C 1.659 176.372 174.900 -0.312 0.000 1.154 655 G CA 0.954 45.713 45.100 -0.567 0.000 0.767 655 G HN 0.479 nan 8.290 nan 0.000 0.552 656 K N -0.494 119.804 120.400 -0.170 0.000 2.057 656 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 656 K C 2.224 178.641 176.600 -0.306 0.000 1.049 656 K CA 1.383 57.542 56.287 -0.213 0.000 0.931 656 K CB -0.213 32.149 32.500 -0.230 0.000 0.714 656 K HN 0.452 nan 8.250 nan 0.000 0.440 657 H N -0.017 118.975 119.070 -0.130 0.000 2.535 657 H HA 0.078 4.634 4.556 -0.000 0.000 0.273 657 H C 1.803 177.047 175.328 -0.140 0.000 0.983 657 H CA 0.390 56.374 56.048 -0.108 0.000 1.238 657 H CB 0.246 29.959 29.762 -0.081 0.000 1.412 657 H HN 0.041 nan 8.280 nan 0.000 0.562 658 I N 0.365 120.836 120.570 -0.164 0.000 2.142 658 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 658 I C 2.363 178.412 176.117 -0.114 0.000 1.078 658 I CA 1.438 62.618 61.300 -0.201 0.000 1.343 658 I CB -0.755 36.978 38.000 -0.444 0.000 1.046 658 I HN 0.393 nan 8.210 nan 0.000 0.405 659 M N 0.681 120.209 119.600 -0.120 0.000 2.149 659 M HA -0.274 4.206 4.480 -0.000 0.000 0.261 659 M C 2.343 178.624 176.300 -0.033 0.000 1.064 659 M CA 1.841 57.118 55.300 -0.037 0.000 1.102 659 M CB -0.175 32.427 32.600 0.004 0.000 1.369 659 M HN 0.088 nan 8.290 nan 0.000 0.408 660 K N -0.511 119.850 120.400 -0.065 0.000 2.057 660 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 660 K C 1.685 178.276 176.600 -0.014 0.000 1.049 660 K CA 1.973 58.232 56.287 -0.046 0.000 0.931 660 K CB -0.075 32.382 32.500 -0.071 0.000 0.714 660 K HN 0.324 nan 8.250 nan 0.000 0.440 661 S N 0.490 116.186 115.700 -0.007 0.000 2.383 661 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 661 S C 2.131 176.734 174.600 0.004 0.000 1.026 661 S CA 1.138 59.340 58.200 0.004 0.000 0.981 661 S CB -0.386 62.818 63.200 0.006 0.000 0.818 661 S HN 0.440 nan 8.310 nan 0.000 0.472 662 C N 1.874 121.175 119.300 0.001 0.000 2.413 662 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 662 C C 3.058 178.052 174.990 0.007 0.000 1.248 662 C CA 0.612 59.636 59.018 0.010 0.000 1.742 662 C CB -1.540 26.209 27.740 0.015 0.000 2.017 662 C HN 0.683 nan 8.230 nan 0.000 0.481 663 A N 0.185 123.005 122.820 0.001 0.000 1.877 663 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 663 A C 2.051 179.633 177.584 -0.003 0.000 1.186 663 A CA 1.429 53.464 52.037 -0.003 0.000 0.620 663 A CB -0.576 18.419 19.000 -0.008 0.000 0.822 663 A HN 0.618 nan 8.150 nan 0.000 0.443 664 L N 0.382 121.604 121.223 -0.001 0.000 2.418 664 L HA -0.060 4.280 4.340 -0.000 0.000 0.218 664 L C 2.645 179.515 176.870 -0.000 0.000 1.125 664 L CA 0.883 55.723 54.840 -0.001 0.000 0.835 664 L CB -0.332 41.728 42.059 0.001 0.000 0.953 664 L HN 0.629 nan 8.230 nan 0.000 0.454 665 S N 1.051 116.753 115.700 0.003 0.000 2.291 665 S HA -0.025 4.445 4.470 -0.000 0.000 0.185 665 S C 1.157 175.760 174.600 0.005 0.000 0.996 665 S CA 0.653 58.855 58.200 0.004 0.000 0.997 665 S CB -0.300 62.906 63.200 0.011 0.000 0.899 665 S HN 0.482 nan 8.310 nan 0.000 0.493 666 N N 0.903 119.610 118.700 0.010 0.000 2.377 666 N HA 0.129 4.869 4.740 -0.000 0.000 0.259 666 N C 0.298 175.812 175.510 0.007 0.000 1.332 666 N CA 0.174 53.230 53.050 0.010 0.000 0.877 666 N CB -0.132 38.367 38.487 0.019 0.000 1.299 666 N HN 1.106 nan 8.380 nan 0.000 0.501 667 V N -1.579 118.337 119.914 0.003 0.000 5.043 667 V HA -0.372 3.748 4.120 -0.000 0.000 0.267 667 V C 0.273 176.367 176.094 0.000 0.000 0.597 667 V CA 1.180 63.479 62.300 -0.001 0.000 0.703 667 V CB -2.825 28.993 31.823 -0.008 0.000 0.558 667 V HN 0.673 nan 8.190 nan 0.000 1.038 668 K N -0.107 120.298 120.400 0.008 0.000 2.380 668 K HA 0.400 4.720 4.320 -0.000 0.000 0.267 668 K C 0.259 176.862 176.600 0.005 0.000 0.990 668 K CA -0.422 55.870 56.287 0.008 0.000 0.946 668 K CB 0.602 33.113 32.500 0.018 0.000 0.937 668 K HN 0.598 nan 8.250 nan 0.000 0.491 669 K N 0.677 121.075 120.400 -0.004 0.000 2.319 669 K HA 0.213 4.533 4.320 -0.000 0.000 0.265 669 K C -0.600 176.011 176.600 0.018 0.000 1.000 669 K CA -0.469 55.813 56.287 -0.009 0.000 0.943 669 K CB 1.228 33.706 32.500 -0.037 0.000 0.950 669 K HN 0.393 nan 8.250 nan 0.000 0.485 670 V N 0.922 120.874 119.914 0.062 0.000 2.971 670 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 670 V C -1.508 174.728 176.094 0.236 0.000 1.130 670 V CA -0.402 61.972 62.300 0.124 0.000 0.964 670 V CB 2.483 34.391 31.823 0.142 0.000 1.029 670 V HN 0.822 nan 8.190 nan 0.000 0.427 671 S N 6.124 121.916 115.700 0.154 0.000 2.542 671 S HA 0.832 5.302 4.470 -0.000 0.000 0.293 671 S C -1.158 173.441 174.600 -0.001 0.000 1.089 671 S CA -0.629 57.659 58.200 0.147 0.000 0.961 671 S CB 1.705 64.943 63.200 0.063 0.000 1.062 671 S HN 0.678 nan 8.310 nan 0.000 0.483 672 L N 1.911 122.983 121.223 -0.252 0.000 2.436 672 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 672 L C -0.616 176.161 176.870 -0.154 0.000 0.974 672 L CA -0.432 54.285 54.840 -0.204 0.000 0.826 672 L CB 1.956 43.729 42.059 -0.477 0.000 1.291 672 L HN 0.552 nan 8.230 nan 0.000 0.406 673 E N 4.202 124.387 120.200 -0.025 0.000 2.255 673 E HA 0.354 4.704 4.350 -0.000 0.000 0.256 673 E C -1.007 175.575 176.600 -0.030 0.000 0.887 673 E CA -0.338 56.050 56.400 -0.020 0.000 0.782 673 E CB 1.833 31.564 29.700 0.051 0.000 1.214 673 E HN 0.637 nan 8.360 nan 0.000 0.417 674 L N 3.559 124.767 121.223 -0.026 0.000 3.202 674 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 674 L C 0.859 177.646 176.870 -0.139 0.000 1.268 674 L CA 0.008 54.843 54.840 -0.009 0.000 1.034 674 L CB 0.333 42.443 42.059 0.085 0.000 1.407 674 L HN 0.790 nan 8.230 nan 0.000 0.581 675 G N 0.185 108.875 108.800 -0.184 0.000 2.725 675 G HA2 0.084 4.044 3.960 -0.000 0.000 0.220 675 G HA3 0.084 4.044 3.960 -0.000 0.000 0.220 675 G C -0.271 174.304 174.900 -0.540 0.000 1.357 675 G CA -0.466 44.454 45.100 -0.299 0.000 0.866 675 G HN 0.569 nan 8.290 nan 0.000 0.548 676 G N -1.482 106.931 108.800 -0.646 0.000 2.623 676 G HA2 0.706 4.666 3.960 -0.000 0.000 0.290 676 G HA3 0.706 4.666 3.960 -0.000 0.000 0.290 676 G C -1.265 173.436 174.900 -0.331 0.000 1.437 676 G CA 0.279 45.068 45.100 -0.519 0.000 0.798 676 G HN 1.102 nan 8.290 nan 0.000 0.488 677 K N 0.767 121.188 120.400 0.035 0.000 2.842 677 K HA 0.511 4.831 4.320 -0.000 0.000 0.176 677 K C -0.265 176.414 176.600 0.132 0.000 1.080 677 K CA -0.426 55.952 56.287 0.151 0.000 0.954 677 K CB 0.284 32.981 32.500 0.330 0.000 1.203 677 K HN 0.341 nan 8.250 nan 0.000 0.611 678 S N 4.580 120.334 115.700 0.091 0.000 2.474 678 S HA 0.336 4.806 4.470 -0.000 0.000 0.276 678 S C -2.400 172.275 174.600 0.125 0.000 1.227 678 S CA -0.974 57.294 58.200 0.114 0.000 1.050 678 S CB 0.665 63.957 63.200 0.154 0.000 0.939 678 S HN 0.438 nan 8.310 nan 0.000 0.490 679 P HA 0.344 nan 4.420 nan 0.000 0.288 679 P C -1.117 176.263 177.300 0.133 0.000 1.267 679 P CA -0.752 62.460 63.100 0.188 0.000 0.815 679 P CB 0.943 32.798 31.700 0.259 0.000 0.989 680 L N 4.729 125.987 121.223 0.059 0.000 2.343 680 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 680 L C -0.877 175.935 176.870 -0.097 0.000 0.996 680 L CA -0.682 54.106 54.840 -0.086 0.000 0.831 680 L CB 0.610 42.488 42.059 -0.302 0.000 1.232 680 L HN 0.230 nan 8.230 nan 0.000 0.413 681 I N 6.522 127.008 120.570 -0.140 0.000 2.321 681 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 681 I C -0.426 175.551 176.117 -0.234 0.000 0.998 681 I CA -0.249 60.929 61.300 -0.203 0.000 1.227 681 I CB 1.150 38.940 38.000 -0.349 0.000 1.368 681 I HN 0.496 nan 8.210 nan 0.000 0.466 682 I N 6.636 127.105 120.570 -0.170 0.000 2.382 682 I HA 0.331 4.501 4.170 -0.000 0.000 0.285 682 I C -0.536 175.587 176.117 0.009 0.000 1.007 682 I CA -0.410 60.856 61.300 -0.057 0.000 1.142 682 I CB 0.855 38.743 38.000 -0.186 0.000 1.289 682 I HN 0.336 nan 8.210 nan 0.000 0.453 683 F N 3.320 123.421 119.950 0.251 0.000 2.371 683 F HA 0.364 4.891 4.527 -0.000 0.000 0.329 683 F C 1.525 177.401 175.800 0.127 0.000 1.107 683 F CA -0.137 58.006 58.000 0.239 0.000 1.137 683 F CB 1.473 40.613 39.000 0.232 0.000 1.214 683 F HN 0.528 nan 8.300 nan 0.000 0.536 684 A N 0.917 123.896 122.820 0.265 0.000 2.024 684 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 684 A C 1.503 179.184 177.584 0.162 0.000 1.164 684 A CA 1.791 53.918 52.037 0.151 0.000 0.643 684 A CB -0.921 18.133 19.000 0.090 0.000 0.806 684 A HN 0.776 nan 8.150 nan 0.000 0.451 685 D N -0.494 120.025 120.400 0.197 0.000 2.325 685 D HA 0.067 4.707 4.640 -0.000 0.000 0.234 685 D C 0.812 177.201 176.300 0.149 0.000 1.122 685 D CA 0.211 54.295 54.000 0.139 0.000 0.850 685 D CB -1.703 39.155 40.800 0.096 0.000 0.921 685 D HN 0.527 nan 8.370 nan 0.000 0.513 686 C N -0.665 118.754 119.300 0.198 0.000 2.563 686 C HA 0.430 4.890 4.460 -0.000 0.000 0.358 686 C C 0.676 175.739 174.990 0.122 0.000 1.336 686 C CA -1.219 57.910 59.018 0.184 0.000 2.454 686 C CB 0.836 28.737 27.740 0.268 0.000 2.448 686 C HN 0.245 nan 8.230 nan 0.000 0.670 687 D N 0.903 121.351 120.400 0.080 0.000 2.344 687 D HA 0.080 4.720 4.640 -0.000 0.000 0.253 687 D C 0.662 177.002 176.300 0.066 0.000 1.255 687 D CA -0.131 53.898 54.000 0.050 0.000 0.894 687 D CB 0.560 41.364 40.800 0.008 0.000 1.067 687 D HN 0.652 nan 8.370 nan 0.000 0.492 688 L N 5.608 126.886 121.223 0.092 0.000 2.027 688 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 688 L C 1.660 178.603 176.870 0.120 0.000 1.074 688 L CA 1.504 56.427 54.840 0.139 0.000 0.745 688 L CB -0.582 41.558 42.059 0.136 0.000 0.898 688 L HN 0.367 nan 8.230 nan 0.000 0.433 689 N N -0.051 118.688 118.700 0.065 0.000 2.166 689 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 689 N C 1.763 177.287 175.510 0.023 0.000 1.019 689 N CA 1.278 54.350 53.050 0.038 0.000 0.856 689 N CB -0.160 38.338 38.487 0.020 0.000 0.993 689 N HN 0.434 nan 8.380 nan 0.000 0.426 690 K N 0.727 121.125 120.400 -0.003 0.000 2.057 690 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 690 K C 2.043 178.577 176.600 -0.111 0.000 1.050 690 K CA 1.067 57.316 56.287 -0.064 0.000 0.935 690 K CB -0.103 32.334 32.500 -0.104 0.000 0.715 690 K HN 0.110 nan 8.250 nan 0.000 0.439 691 A N 1.094 123.886 122.820 -0.047 0.000 1.940 691 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 691 A C 2.353 180.179 177.584 0.403 0.000 1.176 691 A CA 1.421 53.525 52.037 0.112 0.000 0.631 691 A CB -0.611 18.620 19.000 0.385 0.000 0.814 691 A HN 0.069 nan 8.150 nan 0.000 0.446 692 V N -0.082 119.994 119.914 0.269 0.000 2.307 692 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 692 V C 2.756 178.905 176.094 0.092 0.000 1.045 692 V CA 1.994 64.354 62.300 0.101 0.000 1.024 692 V CB -0.740 31.034 31.823 -0.081 0.000 0.651 692 V HN 0.542 nan 8.190 nan 0.000 0.449 693 Q N -0.642 119.197 119.800 0.064 0.000 2.050 693 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 693 Q C 2.176 178.234 176.000 0.096 0.000 0.980 693 Q CA 1.877 57.717 55.803 0.061 0.000 0.840 693 Q CB -0.386 28.368 28.738 0.028 0.000 0.898 693 Q HN 0.588 nan 8.270 nan 0.000 0.424 694 M N -0.640 119.009 119.600 0.081 0.000 2.288 694 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 694 M C 2.116 178.592 176.300 0.293 0.000 1.072 694 M CA 1.244 56.628 55.300 0.140 0.000 1.132 694 M CB -0.346 32.248 32.600 -0.010 0.000 1.386 694 M HN 0.241 nan 8.290 nan 0.000 0.432 695 G N 0.430 109.474 108.800 0.406 0.000 2.418 695 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 695 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 695 G C 1.534 176.506 174.900 0.119 0.000 1.158 695 G CA 0.564 45.862 45.100 0.330 0.000 0.771 695 G HN 0.217 nan 8.290 nan 0.000 0.545 696 M N 1.177 120.868 119.600 0.153 0.000 2.065 696 M HA -0.101 4.379 4.480 -0.000 0.000 0.259 696 M C 2.818 179.219 176.300 0.168 0.000 1.069 696 M CA 1.707 57.123 55.300 0.194 0.000 1.110 696 M CB -1.297 31.456 32.600 0.254 0.000 1.328 696 M HN 0.372 nan 8.290 nan 0.000 0.405 697 S N 0.660 116.462 115.700 0.170 0.000 2.370 697 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 697 S C 2.106 176.766 174.600 0.100 0.000 1.033 697 S CA 2.236 60.551 58.200 0.193 0.000 1.011 697 S CB -0.342 62.950 63.200 0.154 0.000 0.852 697 S HN 0.644 nan 8.310 nan 0.000 0.457 698 S N 0.182 115.847 115.700 -0.058 0.000 2.400 698 S HA -0.061 4.409 4.470 -0.000 0.000 0.232 698 S C 1.707 176.150 174.600 -0.262 0.000 1.025 698 S CA 1.479 59.481 58.200 -0.329 0.000 0.993 698 S CB -0.586 62.065 63.200 -0.915 0.000 0.808 698 S HN 0.395 nan 8.310 nan 0.000 0.478 699 V N -0.423 119.310 119.914 -0.302 0.000 2.581 699 V HA 0.246 4.366 4.120 -0.000 0.000 0.240 699 V C 1.811 177.738 176.094 -0.278 0.000 1.054 699 V CA 0.909 62.954 62.300 -0.426 0.000 1.076 699 V CB -0.651 30.676 31.823 -0.827 0.000 0.748 699 V HN 0.469 nan 8.190 nan 0.000 0.474 700 F N -0.881 119.132 119.950 0.104 0.000 2.754 700 F HA 0.303 4.830 4.527 -0.000 0.000 0.297 700 F C 0.914 176.818 175.800 0.174 0.000 1.122 700 F CA -1.162 56.914 58.000 0.126 0.000 1.400 700 F CB -0.563 38.489 39.000 0.087 0.000 1.117 700 F HN 0.033 nan 8.300 nan 0.000 0.587 701 F N 2.281 122.340 119.950 0.182 0.000 2.608 701 F HA 0.033 4.559 4.527 -0.000 0.000 0.380 701 F C 1.246 177.116 175.800 0.117 0.000 1.083 701 F CA -0.160 57.934 58.000 0.157 0.000 1.266 701 F CB 0.018 39.098 39.000 0.134 0.000 1.076 701 F HN 0.146 nan 8.300 nan 0.000 0.574 702 N N 4.059 122.460 118.700 -0.499 0.000 2.725 702 N HA -0.301 4.439 4.740 -0.000 0.000 0.251 702 N C 0.210 175.630 175.510 -0.150 0.000 1.031 702 N CA 1.219 54.051 53.050 -0.364 0.000 0.720 702 N CB -0.552 37.691 38.487 -0.406 0.000 0.930 702 N HN 0.737 nan 8.380 nan 0.000 0.543 703 K N -2.354 118.037 120.400 -0.014 0.000 2.975 703 K HA -0.255 4.065 4.320 -0.000 0.000 0.257 703 K C 0.950 177.628 176.600 0.131 0.000 1.005 703 K CA 1.928 58.286 56.287 0.119 0.000 0.738 703 K CB -2.397 30.055 32.500 -0.080 0.000 1.236 703 K HN 1.432 nan 8.250 nan 0.000 0.483 704 G N -0.322 108.528 108.800 0.083 0.000 2.184 704 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 704 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 704 G C -0.065 174.658 174.900 -0.295 0.000 0.975 704 G CA 0.675 45.759 45.100 -0.026 0.000 0.642 704 G HN 0.609 nan 8.290 nan 0.000 0.536 705 E N 0.840 120.828 120.200 -0.354 0.000 1.892 705 E HA 0.315 4.665 4.350 -0.000 0.000 0.271 705 E C 0.078 176.159 176.600 -0.865 0.000 1.146 705 E CA -0.182 55.766 56.400 -0.754 0.000 1.096 705 E CB -0.037 29.538 29.700 -0.208 0.000 1.155 705 E HN 0.498 nan 8.360 nan 0.000 0.458 706 N N 1.588 119.691 118.700 -0.995 0.000 2.542 706 N HA 0.034 4.774 4.740 -0.000 0.000 0.288 706 N C 0.698 176.081 175.510 -0.210 0.000 1.115 706 N CA -0.560 52.336 53.050 -0.255 0.000 0.924 706 N CB 0.845 39.373 38.487 0.070 0.000 1.526 706 N HN 0.370 nan 8.380 nan 0.000 0.515 707 C N 2.620 121.983 119.300 0.105 0.000 2.419 707 C HA 0.030 4.490 4.460 -0.000 0.000 0.283 707 C C 1.951 177.047 174.990 0.177 0.000 1.373 707 C CA -0.039 59.130 59.018 0.252 0.000 1.781 707 C CB -1.757 26.154 27.740 0.286 0.000 1.886 707 C HN 0.778 nan 8.230 nan 0.000 0.520 708 I N -0.282 120.429 120.570 0.235 0.000 3.875 708 I HA 0.480 4.650 4.170 -0.000 0.000 0.329 708 I C 1.175 177.477 176.117 0.309 0.000 1.295 708 I CA -0.243 61.198 61.300 0.235 0.000 1.129 708 I CB -0.673 37.500 38.000 0.290 0.000 1.008 708 I HN 0.147 nan 8.210 nan 0.000 0.413 709 A N 2.078 125.008 122.820 0.184 0.000 2.561 709 A HA 0.466 4.786 4.320 -0.000 0.000 0.234 709 A C 0.876 178.503 177.584 0.073 0.000 1.055 709 A CA 0.384 52.489 52.037 0.113 0.000 0.756 709 A CB -0.055 18.925 19.000 -0.032 0.000 0.986 709 A HN 0.654 nan 8.150 nan 0.000 0.505 710 A N 2.307 125.059 122.820 -0.114 0.000 2.484 710 A HA 0.466 4.786 4.320 -0.000 0.000 0.268 710 A C 1.329 178.847 177.584 -0.110 0.000 1.114 710 A CA 0.237 52.174 52.037 -0.166 0.000 0.780 710 A CB -0.324 18.390 19.000 -0.476 0.000 1.061 710 A HN 1.605 nan 8.150 nan 0.000 0.505 711 G N 2.376 111.157 108.800 -0.031 0.000 2.838 711 G HA2 0.237 4.197 3.960 -0.000 0.000 0.210 711 G HA3 0.237 4.197 3.960 -0.000 0.000 0.210 711 G C 0.673 175.550 174.900 -0.038 0.000 1.153 711 G CA -0.123 44.968 45.100 -0.015 0.000 0.778 711 G HN 0.688 nan 8.290 nan 0.000 0.539 712 R N -0.657 119.795 120.500 -0.080 0.000 2.604 712 R HA 0.493 4.833 4.340 -0.000 0.000 0.281 712 R C -1.945 174.208 176.300 -0.244 0.000 1.020 712 R CA -0.777 55.195 56.100 -0.213 0.000 0.899 712 R CB 2.038 32.139 30.300 -0.332 0.000 1.205 712 R HN -0.027 nan 8.270 nan 0.000 0.450 713 L N 3.360 124.407 121.223 -0.293 0.000 2.305 713 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 713 L C -0.975 175.708 176.870 -0.311 0.000 1.013 713 L CA -0.087 54.613 54.840 -0.233 0.000 0.819 713 L CB 0.912 42.880 42.059 -0.151 0.000 1.227 713 L HN 0.454 nan 8.230 nan 0.000 0.417 714 F N 3.354 123.253 119.950 -0.085 0.000 2.404 714 F HA 0.580 5.107 4.527 -0.000 0.000 0.354 714 F C 0.051 175.920 175.800 0.115 0.000 1.122 714 F CA -0.783 57.237 58.000 0.033 0.000 1.080 714 F CB 1.388 40.334 39.000 -0.090 0.000 1.131 714 F HN 0.030 nan 8.300 nan 0.000 0.471 715 V N 2.791 122.862 119.914 0.262 0.000 2.540 715 V HA 0.253 4.373 4.120 -0.000 0.000 0.302 715 V C -0.048 175.875 176.094 -0.284 0.000 1.035 715 V CA -1.216 61.069 62.300 -0.024 0.000 0.873 715 V CB 1.636 33.326 31.823 -0.222 0.000 0.992 715 V HN 0.680 nan 8.190 nan 0.000 0.428 716 E N 2.001 121.808 120.200 -0.655 0.000 2.414 716 E HA -0.014 4.336 4.350 -0.000 0.000 0.263 716 E C 1.061 177.393 176.600 -0.447 0.000 1.000 716 E CA 0.054 55.786 56.400 -1.114 0.000 0.914 716 E CB 0.868 30.142 29.700 -0.710 0.000 0.948 716 E HN 0.766 nan 8.360 nan 0.000 0.444 717 E N 2.420 122.379 120.200 -0.401 0.000 2.086 717 E HA -0.301 4.049 4.350 -0.000 0.000 0.205 717 E C 1.645 178.210 176.600 -0.059 0.000 1.027 717 E CA 2.502 58.803 56.400 -0.166 0.000 0.830 717 E CB -0.286 29.335 29.700 -0.131 0.000 0.751 717 E HN 0.528 nan 8.360 nan 0.000 0.456 718 S N -0.153 115.509 115.700 -0.063 0.000 2.442 718 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 718 S C 1.978 176.596 174.600 0.031 0.000 1.007 718 S CA 1.166 59.363 58.200 -0.005 0.000 0.965 718 S CB -0.749 62.451 63.200 0.000 0.000 0.773 718 S HN 0.577 nan 8.310 nan 0.000 0.504 719 I N -2.701 117.888 120.570 0.032 0.000 4.082 719 I HA 0.330 4.500 4.170 -0.000 0.000 0.337 719 I C 2.133 178.327 176.117 0.128 0.000 1.352 719 I CA -0.290 61.057 61.300 0.079 0.000 1.097 719 I CB -0.467 37.582 38.000 0.081 0.000 1.048 719 I HN 0.130 nan 8.210 nan 0.000 0.393 720 H N 3.108 122.189 119.070 0.017 0.000 2.267 720 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 720 H C 1.397 176.807 175.328 0.136 0.000 1.080 720 H CA 2.670 58.753 56.048 0.059 0.000 1.278 720 H CB 0.045 29.809 29.762 0.002 0.000 1.365 720 H HN 0.363 nan 8.280 nan 0.000 0.489 721 N N 0.823 119.670 118.700 0.245 0.000 2.120 721 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 721 N C 2.176 177.729 175.510 0.071 0.000 1.024 721 N CA 1.158 54.306 53.050 0.163 0.000 0.852 721 N CB -0.617 37.969 38.487 0.165 0.000 1.003 721 N HN 0.571 nan 8.380 nan 0.000 0.424 722 Q N -0.462 119.390 119.800 0.087 0.000 2.084 722 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 722 Q C 1.917 177.956 176.000 0.065 0.000 0.978 722 Q CA 1.037 56.880 55.803 0.067 0.000 0.844 722 Q CB -0.197 28.587 28.738 0.077 0.000 0.898 722 Q HN 0.373 nan 8.270 nan 0.000 0.426 723 F N 0.150 120.075 119.950 -0.042 0.000 2.095 723 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 723 F C 1.886 177.640 175.800 -0.076 0.000 1.104 723 F CA 1.565 59.536 58.000 -0.049 0.000 1.232 723 F CB -0.277 38.688 39.000 -0.059 0.000 0.987 723 F HN -0.088 nan 8.300 nan 0.000 0.475 724 V N 0.550 120.421 119.914 -0.071 0.000 2.343 724 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 724 V C 2.300 178.308 176.094 -0.143 0.000 1.051 724 V CA 2.312 64.525 62.300 -0.143 0.000 1.036 724 V CB -0.961 30.794 31.823 -0.113 0.000 0.654 724 V HN 0.421 nan 8.190 nan 0.000 0.451 725 Q N -0.153 119.594 119.800 -0.088 0.000 2.061 725 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 725 Q C 2.371 178.309 176.000 -0.104 0.000 0.984 725 Q CA 1.849 57.611 55.803 -0.069 0.000 0.846 725 Q CB -0.250 28.470 28.738 -0.030 0.000 0.902 725 Q HN 0.604 nan 8.270 nan 0.000 0.421 726 K N -0.091 120.224 120.400 -0.141 0.000 2.057 726 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 726 K C 2.121 178.600 176.600 -0.203 0.000 1.050 726 K CA 1.182 57.376 56.287 -0.154 0.000 0.935 726 K CB -0.107 32.303 32.500 -0.150 0.000 0.715 726 K HN 0.014 nan 8.250 nan 0.000 0.439 727 V N 1.129 120.846 119.914 -0.329 0.000 2.287 727 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 727 V C 2.265 178.279 176.094 -0.134 0.000 1.053 727 V CA 1.627 63.764 62.300 -0.272 0.000 1.027 727 V CB -0.329 31.273 31.823 -0.369 0.000 0.646 727 V HN 0.098 nan 8.190 nan 0.000 0.447 728 V N -0.208 119.634 119.914 -0.121 0.000 2.332 728 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 728 V C 2.390 178.431 176.094 -0.089 0.000 1.055 728 V CA 2.192 64.439 62.300 -0.089 0.000 1.038 728 V CB -0.717 31.063 31.823 -0.073 0.000 0.651 728 V HN 0.641 nan 8.190 nan 0.000 0.450 729 E N -0.386 119.763 120.200 -0.086 0.000 2.085 729 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 729 E C 2.321 178.875 176.600 -0.076 0.000 0.994 729 E CA 1.316 57.672 56.400 -0.073 0.000 0.801 729 E CB -0.131 29.531 29.700 -0.063 0.000 0.743 729 E HN 0.560 nan 8.360 nan 0.000 0.453 730 E N 0.415 120.567 120.200 -0.081 0.000 2.072 730 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 730 E C 2.347 178.886 176.600 -0.101 0.000 0.982 730 E CA 0.532 56.889 56.400 -0.071 0.000 0.803 730 E CB -0.301 29.368 29.700 -0.051 0.000 0.755 730 E HN 0.111 nan 8.360 nan 0.000 0.453 731 V N 1.666 121.502 119.914 -0.130 0.000 2.332 731 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 731 V C 2.126 178.101 176.094 -0.199 0.000 1.055 731 V CA 1.896 64.060 62.300 -0.227 0.000 1.038 731 V CB -0.468 31.220 31.823 -0.225 0.000 0.651 731 V HN 0.266 nan 8.190 nan 0.000 0.450 732 E N -0.259 119.858 120.200 -0.139 0.000 2.204 732 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 732 E C 2.073 178.612 176.600 -0.102 0.000 0.990 732 E CA 0.976 57.306 56.400 -0.116 0.000 0.821 732 E CB -0.103 29.543 29.700 -0.090 0.000 0.750 732 E HN 0.586 nan 8.360 nan 0.000 0.477 733 K N -0.025 120.318 120.400 -0.094 0.000 2.459 733 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 733 K C 0.357 176.913 176.600 -0.073 0.000 1.030 733 K CA 0.131 56.375 56.287 -0.071 0.000 1.026 733 K CB 0.125 32.594 32.500 -0.053 0.000 0.809 733 K HN 0.114 nan 8.250 nan 0.000 0.504 734 M N 1.796 121.331 119.600 -0.109 0.000 2.217 734 M HA 0.028 4.507 4.480 -0.000 0.000 0.352 734 M C 0.039 176.300 176.300 -0.064 0.000 1.376 734 M CA -0.045 55.194 55.300 -0.102 0.000 1.107 734 M CB 0.502 32.980 32.600 -0.202 0.000 1.723 734 M HN -0.282 nan 8.290 nan 0.000 0.461 735 K N 4.976 125.365 120.400 -0.018 0.000 2.267 735 K HA 0.421 4.741 4.320 -0.000 0.000 0.282 735 K C -1.175 175.453 176.600 0.047 0.000 1.078 735 K CA 0.037 56.323 56.287 -0.002 0.000 0.903 735 K CB 0.148 32.648 32.500 -0.000 0.000 1.111 735 K HN 0.576 nan 8.250 nan 0.000 0.475 736 I N 3.972 124.565 120.570 0.039 0.000 2.395 736 I HA 0.531 4.701 4.170 -0.000 0.000 0.289 736 I C 0.795 176.913 176.117 0.002 0.000 1.023 736 I CA -0.072 61.293 61.300 0.109 0.000 1.350 736 I CB 1.305 39.365 38.000 0.099 0.000 1.409 736 I HN 0.815 nan 8.210 nan 0.000 0.507 737 G N 4.926 113.782 108.800 0.094 0.000 2.340 737 G HA2 0.031 3.991 3.960 -0.000 0.000 0.299 737 G HA3 0.031 3.991 3.960 -0.000 0.000 0.299 737 G C -1.465 173.568 174.900 0.222 0.000 1.291 737 G CA -0.791 44.314 45.100 0.008 0.000 0.841 737 G HN 0.497 nan 8.290 nan 0.000 0.500 738 N N 1.375 120.150 118.700 0.125 0.000 2.411 738 N HA 0.116 4.856 4.740 -0.000 0.000 0.261 738 N C -0.900 174.674 175.510 0.107 0.000 1.248 738 N CA -1.056 52.087 53.050 0.156 0.000 0.885 738 N CB 1.692 40.216 38.487 0.061 0.000 1.062 738 N HN 0.119 nan 8.380 nan 0.000 0.471 739 P HA -0.113 nan 4.420 nan 0.000 0.222 739 P C 1.255 178.595 177.300 0.066 0.000 1.147 739 P CA 1.033 64.163 63.100 0.051 0.000 0.790 739 P CB 0.326 32.029 31.700 0.005 0.000 0.780 740 L N -1.082 120.163 121.223 0.036 0.000 2.492 740 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 740 L C 1.159 178.020 176.870 -0.016 0.000 1.132 740 L CA 0.421 55.255 54.840 -0.011 0.000 0.850 740 L CB -0.488 41.532 42.059 -0.065 0.000 0.966 740 L HN -0.088 nan 8.230 nan 0.000 0.454 741 E N 0.668 120.875 120.200 0.012 0.000 2.289 741 E HA 0.074 4.424 4.350 -0.000 0.000 0.278 741 E C 0.670 177.289 176.600 0.031 0.000 1.032 741 E CA -0.232 56.173 56.400 0.008 0.000 0.854 741 E CB 1.168 30.871 29.700 0.004 0.000 1.046 741 E HN 0.001 nan 8.360 nan 0.000 0.409 742 R N 1.829 122.346 120.500 0.028 0.000 2.148 742 R HA -0.113 4.227 4.340 -0.000 0.000 0.227 742 R C 0.971 177.297 176.300 0.043 0.000 1.103 742 R CA 1.007 57.137 56.100 0.050 0.000 0.983 742 R CB -0.232 30.093 30.300 0.043 0.000 0.874 742 R HN 0.538 nan 8.270 nan 0.000 0.451 743 D N -1.201 119.215 120.400 0.027 0.000 2.340 743 D HA -0.019 4.621 4.640 -0.000 0.000 0.220 743 D C -0.141 176.176 176.300 0.027 0.000 1.039 743 D CA -0.015 53.999 54.000 0.023 0.000 0.866 743 D CB -0.356 40.450 40.800 0.009 0.000 0.913 743 D HN -0.225 nan 8.370 nan 0.000 0.523 744 T N 1.591 116.166 114.554 0.036 0.000 2.888 744 T HA 0.077 4.427 4.350 -0.000 0.000 0.301 744 T C 1.186 175.919 174.700 0.055 0.000 1.001 744 T CA -0.111 62.018 62.100 0.049 0.000 1.147 744 T CB 0.416 69.322 68.868 0.063 0.000 0.931 744 T HN 0.400 nan 8.240 nan 0.000 0.541 745 N N 1.857 120.597 118.700 0.067 0.000 2.159 745 N HA -0.005 4.735 4.740 -0.000 0.000 0.217 745 N C -0.250 175.333 175.510 0.121 0.000 1.223 745 N CA -0.331 52.762 53.050 0.071 0.000 0.896 745 N CB 0.553 39.075 38.487 0.058 0.000 1.064 745 N HN 0.571 nan 8.380 nan 0.000 0.518 746 H N 0.656 119.742 119.070 0.027 0.000 2.970 746 H HA 0.529 5.084 4.556 -0.000 0.000 0.315 746 H C -0.088 175.312 175.328 0.120 0.000 0.992 746 H CA -0.376 55.700 56.048 0.045 0.000 1.363 746 H CB 1.232 31.006 29.762 0.021 0.000 1.532 746 H HN 0.206 nan 8.280 nan 0.000 0.514 747 G N 3.986 112.631 108.800 -0.258 0.000 2.543 747 G HA2 0.370 4.330 3.960 -0.000 0.000 0.290 747 G HA3 0.370 4.330 3.960 -0.000 0.000 0.290 747 G C -2.500 172.099 174.900 -0.502 0.000 1.310 747 G CA -1.674 43.303 45.100 -0.205 0.000 1.025 747 G HN 0.522 nan 8.290 nan 0.000 0.502 748 P HA 0.159 nan 4.420 nan 0.000 0.276 748 P C -0.600 176.432 177.300 -0.448 0.000 1.244 748 P CA -0.435 61.994 63.100 -1.119 0.000 0.801 748 P CB 0.894 31.738 31.700 -1.426 0.000 1.006 749 Q N 1.168 120.826 119.800 -0.237 0.000 2.492 749 Q HA 0.015 4.355 4.340 -0.000 0.000 0.238 749 Q C 1.350 177.321 176.000 -0.048 0.000 1.045 749 Q CA 0.040 55.809 55.803 -0.056 0.000 0.934 749 Q CB -0.052 28.689 28.738 0.007 0.000 1.276 749 Q HN 0.525 nan 8.270 nan 0.000 0.521 750 N N 0.685 119.369 118.700 -0.027 0.000 2.120 750 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 750 N C -0.045 175.445 175.510 -0.032 0.000 1.024 750 N CA 1.157 54.192 53.050 -0.026 0.000 0.852 750 N CB 0.409 38.904 38.487 0.012 0.000 1.003 750 N HN 0.704 nan 8.380 nan 0.000 0.424 751 H N -2.828 116.075 119.070 -0.280 0.000 3.014 751 H HA 0.158 4.714 4.556 -0.000 0.000 0.337 751 H C 0.300 175.240 175.328 -0.647 0.000 1.320 751 H CA -0.572 55.225 56.048 -0.419 0.000 1.128 751 H CB 0.959 30.455 29.762 -0.444 0.000 1.862 751 H HN -0.099 nan 8.280 nan 0.000 0.536 752 E N 1.161 120.732 120.200 -1.047 0.000 2.058 752 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 752 E C 1.999 178.308 176.600 -0.485 0.000 0.997 752 E CA 1.814 57.531 56.400 -1.139 0.000 0.801 752 E CB -0.128 28.927 29.700 -1.075 0.000 0.746 752 E HN 0.631 nan 8.360 nan 0.000 0.450 753 A N 0.186 122.845 122.820 -0.269 0.000 1.933 753 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 753 A C 1.976 179.449 177.584 -0.185 0.000 1.175 753 A CA 1.962 53.922 52.037 -0.129 0.000 0.628 753 A CB -0.865 18.144 19.000 0.014 0.000 0.814 753 A HN 0.464 nan 8.150 nan 0.000 0.444 754 H N -0.308 118.401 119.070 -0.602 0.000 2.326 754 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 754 H C 1.879 177.009 175.328 -0.331 0.000 1.081 754 H CA 1.525 57.249 56.048 -0.539 0.000 1.334 754 H CB -0.261 28.930 29.762 -0.952 0.000 1.385 754 H HN 0.257 nan 8.280 nan 0.000 0.504 755 L N 0.957 121.926 121.223 -0.423 0.000 2.021 755 L HA -0.234 4.105 4.340 -0.000 0.000 0.215 755 L C 2.078 178.836 176.870 -0.188 0.000 1.074 755 L CA 2.001 56.674 54.840 -0.279 0.000 0.760 755 L CB -0.707 41.311 42.059 -0.067 0.000 0.889 755 L HN 0.380 nan 8.230 nan 0.000 0.433 756 R N -0.404 120.013 120.500 -0.139 0.000 2.091 756 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 756 R C 2.215 178.489 176.300 -0.043 0.000 1.136 756 R CA 1.274 57.343 56.100 -0.050 0.000 0.959 756 R CB -0.174 30.103 30.300 -0.039 0.000 0.856 756 R HN 0.397 nan 8.270 nan 0.000 0.437 757 K N 0.797 121.145 120.400 -0.087 0.000 2.097 757 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 757 K C 2.169 178.741 176.600 -0.047 0.000 1.049 757 K CA 1.039 57.313 56.287 -0.022 0.000 0.933 757 K CB -0.237 32.280 32.500 0.027 0.000 0.717 757 K HN 0.247 nan 8.250 nan 0.000 0.442 758 L N 0.661 121.709 121.223 -0.291 0.000 2.056 758 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 758 L C 2.457 179.255 176.870 -0.121 0.000 1.078 758 L CA 0.713 55.276 54.840 -0.461 0.000 0.749 758 L CB -0.547 40.821 42.059 -1.152 0.000 0.901 758 L HN -0.109 nan 8.230 nan 0.000 0.433 759 V N 0.033 119.979 119.914 0.052 0.000 2.295 759 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 759 V C 2.351 178.578 176.094 0.221 0.000 1.049 759 V CA 1.923 64.395 62.300 0.287 0.000 1.024 759 V CB -0.501 31.465 31.823 0.239 0.000 0.648 759 V HN 0.467 nan 8.190 nan 0.000 0.447 760 E N -1.066 119.223 120.200 0.148 0.000 2.110 760 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 760 E C 2.095 178.790 176.600 0.159 0.000 0.988 760 E CA 1.639 58.111 56.400 0.120 0.000 0.804 760 E CB -0.285 29.462 29.700 0.078 0.000 0.745 760 E HN 0.737 nan 8.360 nan 0.000 0.458 761 Y N 0.663 121.021 120.300 0.097 0.000 2.128 761 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 761 Y C 2.215 178.234 175.900 0.199 0.000 1.154 761 Y CA 1.452 59.651 58.100 0.165 0.000 1.149 761 Y CB -0.234 38.322 38.460 0.160 0.000 0.976 761 Y HN 0.072 nan 8.280 nan 0.000 0.505 762 C N 0.072 119.670 119.300 0.497 0.000 2.450 762 C HA -0.124 4.336 4.460 -0.000 0.000 0.279 762 C C 2.545 177.756 174.990 0.369 0.000 1.335 762 C CA 0.842 60.203 59.018 0.570 0.000 1.749 762 C CB -1.055 27.063 27.740 0.631 0.000 1.963 762 C HN 0.607 nan 8.230 nan 0.000 0.501 763 Q N 0.545 120.483 119.800 0.230 0.000 2.096 763 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 763 Q C 2.392 178.428 176.000 0.060 0.000 0.982 763 Q CA 1.604 57.486 55.803 0.132 0.000 0.850 763 Q CB -0.246 28.544 28.738 0.086 0.000 0.901 763 Q HN 0.636 nan 8.270 nan 0.000 0.422 764 R N 0.145 120.632 120.500 -0.023 0.000 2.092 764 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 764 R C 2.272 178.487 176.300 -0.141 0.000 1.119 764 R CA 1.378 57.389 56.100 -0.149 0.000 0.970 764 R CB -0.474 29.603 30.300 -0.372 0.000 0.864 764 R HN 0.318 nan 8.270 nan 0.000 0.440 765 G N -0.088 108.616 108.800 -0.160 0.000 2.440 765 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 765 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 765 G C 1.350 176.193 174.900 -0.094 0.000 1.154 765 G CA 1.033 45.916 45.100 -0.363 0.000 0.767 765 G HN 0.235 nan 8.290 nan 0.000 0.552 766 V N 0.751 120.763 119.914 0.163 0.000 2.358 766 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 766 V C 2.659 178.803 176.094 0.084 0.000 1.047 766 V CA 2.171 64.590 62.300 0.200 0.000 1.035 766 V CB -0.375 31.578 31.823 0.215 0.000 0.658 766 V HN 0.448 nan 8.190 nan 0.000 0.452 767 K N 0.875 121.299 120.400 0.040 0.000 2.044 767 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 767 K C 2.002 178.606 176.600 0.008 0.000 1.049 767 K CA 2.204 58.499 56.287 0.013 0.000 0.927 767 K CB -0.160 32.329 32.500 -0.018 0.000 0.713 767 K HN 0.774 nan 8.250 nan 0.000 0.443 768 E N -1.369 118.822 120.200 -0.015 0.000 2.502 768 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 768 E C 0.792 177.404 176.600 0.020 0.000 1.062 768 E CA 0.559 56.958 56.400 -0.001 0.000 0.867 768 E CB 0.414 30.096 29.700 -0.029 0.000 0.888 768 E HN 0.484 nan 8.360 nan 0.000 0.510 769 G N 0.545 109.361 108.800 0.026 0.000 2.184 769 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.206 769 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.206 769 G C 0.362 175.297 174.900 0.058 0.000 0.995 769 G CA -0.226 44.904 45.100 0.051 0.000 0.651 769 G HN 0.623 nan 8.290 nan 0.000 0.511 770 A N 0.226 123.069 122.820 0.038 0.000 2.425 770 A HA 0.642 4.962 4.320 -0.000 0.000 0.242 770 A C 0.750 178.491 177.584 0.262 0.000 1.077 770 A CA 1.120 53.220 52.037 0.105 0.000 0.781 770 A CB 0.306 19.277 19.000 -0.048 0.000 1.020 770 A HN 0.763 nan 8.150 nan 0.000 0.494 771 T N 2.567 117.284 114.554 0.271 0.000 2.723 771 T HA 0.323 4.673 4.350 -0.000 0.000 0.297 771 T C -0.095 174.743 174.700 0.230 0.000 0.925 771 T CA 0.009 62.240 62.100 0.217 0.000 1.030 771 T CB 0.037 68.993 68.868 0.146 0.000 0.905 771 T HN 0.471 nan 8.240 nan 0.000 0.502 772 L N 6.650 127.934 121.223 0.102 0.000 2.342 772 L HA 0.245 4.585 4.340 -0.000 0.000 0.285 772 L C 1.001 177.790 176.870 -0.134 0.000 1.095 772 L CA 0.396 55.107 54.840 -0.215 0.000 0.843 772 L CB 0.156 42.072 42.059 -0.238 0.000 1.201 772 L HN 0.495 nan 8.230 nan 0.000 0.445 773 V N 3.715 123.547 119.914 -0.137 0.000 2.446 773 V HA -0.033 4.087 4.120 -0.000 0.000 0.244 773 V C 0.774 176.809 176.094 -0.098 0.000 1.039 773 V CA 1.181 63.438 62.300 -0.071 0.000 1.045 773 V CB -0.187 31.620 31.823 -0.027 0.000 0.681 773 V HN 0.966 nan 8.190 nan 0.000 0.459 774 C N -2.693 116.521 119.300 -0.143 0.000 3.311 774 C HA 0.843 5.303 4.460 -0.000 0.000 0.325 774 C C 0.575 175.456 174.990 -0.181 0.000 1.352 774 C CA -0.480 58.453 59.018 -0.141 0.000 1.308 774 C CB 0.974 28.645 27.740 -0.116 0.000 1.619 774 C HN 1.186 nan 8.230 nan 0.000 0.469 775 G N 0.728 109.419 108.800 -0.182 0.000 2.539 775 G HA2 0.371 4.331 3.960 -0.000 0.000 0.256 775 G HA3 0.371 4.331 3.960 -0.000 0.000 0.256 775 G C 1.111 175.866 174.900 -0.241 0.000 1.233 775 G CA 1.912 46.876 45.100 -0.227 0.000 0.936 775 G HN 3.238 nan 8.290 nan 0.000 0.571 776 G N -1.292 107.340 108.800 -0.280 0.000 2.176 776 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.232 776 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.232 776 G C 0.185 174.971 174.900 -0.190 0.000 0.986 776 G CA 1.304 46.347 45.100 -0.095 0.000 0.643 776 G HN 2.394 nan 8.290 nan 0.000 0.522 777 N N -0.221 118.116 118.700 -0.606 0.000 2.321 777 N HA 0.463 5.203 4.740 -0.000 0.000 0.290 777 N C -0.434 174.760 175.510 -0.526 0.000 1.212 777 N CA -0.746 52.085 53.050 -0.365 0.000 0.767 777 N CB 1.278 39.659 38.487 -0.177 0.000 1.494 777 N HN 0.325 nan 8.380 nan 0.000 0.479 778 Q N 0.844 120.604 119.800 -0.067 0.000 2.311 778 Q HA 0.142 4.482 4.340 -0.000 0.000 0.272 778 Q C -0.587 175.411 176.000 -0.003 0.000 1.012 778 Q CA -0.436 55.412 55.803 0.075 0.000 0.891 778 Q CB 0.680 29.529 28.738 0.184 0.000 1.201 778 Q HN 0.441 nan 8.270 nan 0.000 0.391 779 V N 7.097 127.035 119.914 0.039 0.000 2.529 779 V HA 0.101 4.221 4.120 -0.000 0.000 0.292 779 V C -2.001 174.092 176.094 -0.002 0.000 1.028 779 V CA -1.211 61.088 62.300 -0.002 0.000 1.074 779 V CB 0.612 32.447 31.823 0.021 0.000 0.958 779 V HN 0.838 nan 8.190 nan 0.000 0.481 780 P HA 0.275 nan 4.420 nan 0.000 0.266 780 P C -0.429 176.828 177.300 -0.071 0.000 1.419 780 P CA 0.060 63.137 63.100 -0.038 0.000 1.112 780 P CB -0.079 31.595 31.700 -0.043 0.000 1.438 781 R N 1.936 122.398 120.500 -0.063 0.000 2.753 781 R HA 0.597 4.937 4.340 -0.000 0.000 0.272 781 R C -3.252 173.014 176.300 -0.057 0.000 1.034 781 R CA -1.907 54.129 56.100 -0.108 0.000 0.869 781 R CB -0.637 29.516 30.300 -0.245 0.000 1.264 781 R HN -0.088 nan 8.270 nan 0.000 0.481 782 P HA 0.304 nan 4.420 nan 0.000 0.269 782 P C 0.209 177.480 177.300 -0.049 0.000 1.217 782 P CA 1.406 64.465 63.100 -0.069 0.000 0.783 782 P CB 0.490 32.147 31.700 -0.072 0.000 0.898 783 G N 0.293 108.919 108.800 -0.291 0.000 2.615 783 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 783 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 783 G C -0.801 173.717 174.900 -0.637 0.000 1.339 783 G CA -0.627 44.093 45.100 -0.633 0.000 0.884 783 G HN 0.332 nan 8.290 nan 0.000 0.559 784 F N 0.357 120.328 119.950 0.035 0.000 2.627 784 F HA 0.559 5.086 4.527 -0.000 0.000 0.329 784 F C 0.262 176.030 175.800 -0.054 0.000 1.378 784 F CA -1.059 56.938 58.000 -0.005 0.000 1.134 784 F CB 0.137 39.092 39.000 -0.076 0.000 1.229 784 F HN 0.296 nan 8.300 nan 0.000 0.537 785 F N 0.799 120.827 119.950 0.129 0.000 2.384 785 F HA 0.429 4.956 4.527 -0.000 0.000 0.338 785 F C -0.149 175.789 175.800 0.230 0.000 1.103 785 F CA -0.679 57.399 58.000 0.129 0.000 1.157 785 F CB 0.943 39.973 39.000 0.051 0.000 1.167 785 F HN 0.035 nan 8.300 nan 0.000 0.529 786 F N 2.575 122.688 119.950 0.272 0.000 2.529 786 F HA 0.372 4.899 4.527 -0.000 0.000 0.320 786 F C -0.307 175.641 175.800 0.247 0.000 1.118 786 F CA -1.023 57.103 58.000 0.211 0.000 0.915 786 F CB 1.354 40.437 39.000 0.139 0.000 1.161 786 F HN 0.355 nan 8.300 nan 0.000 0.445 787 Q N 7.219 126.791 119.800 -0.380 0.000 2.297 787 Q HA 0.305 4.645 4.340 -0.000 0.000 0.267 787 Q C -2.474 173.390 176.000 -0.226 0.000 1.006 787 Q CA -1.732 53.904 55.803 -0.277 0.000 0.896 787 Q CB 0.880 29.407 28.738 -0.352 0.000 1.186 787 Q HN 0.242 nan 8.270 nan 0.000 0.392 788 P HA -0.040 nan 4.420 nan 0.000 0.261 788 P C -1.161 176.084 177.300 -0.093 0.000 1.173 788 P CA 0.471 63.402 63.100 -0.281 0.000 0.760 788 P CB 0.658 31.869 31.700 -0.815 0.000 0.783 789 T N 2.703 117.372 114.554 0.193 0.000 2.841 789 T HA 0.492 4.842 4.350 -0.000 0.000 0.283 789 T C -0.528 174.278 174.700 0.177 0.000 1.000 789 T CA -0.452 61.720 62.100 0.119 0.000 0.977 789 T CB 1.129 70.124 68.868 0.213 0.000 0.979 789 T HN -0.042 nan 8.240 nan 0.000 0.446 790 V N 3.617 123.536 119.914 0.007 0.000 2.483 790 V HA 0.533 4.653 4.120 -0.000 0.000 0.297 790 V C -1.149 174.898 176.094 -0.078 0.000 1.027 790 V CA -0.851 61.480 62.300 0.051 0.000 0.855 790 V CB 1.170 33.030 31.823 0.062 0.000 0.995 790 V HN 0.785 nan 8.190 nan 0.000 0.424 791 F N 3.010 123.026 119.950 0.110 0.000 2.443 791 F HA 0.744 5.271 4.527 -0.000 0.000 0.335 791 F C 0.821 176.673 175.800 0.086 0.000 1.104 791 F CA -0.215 57.842 58.000 0.094 0.000 1.013 791 F CB 2.312 41.371 39.000 0.098 0.000 1.136 791 F HN 0.615 nan 8.300 nan 0.000 0.470 792 T N -2.128 112.611 114.554 0.308 0.000 2.773 792 T HA 0.377 4.727 4.350 -0.000 0.000 0.278 792 T C -0.659 174.159 174.700 0.196 0.000 1.011 792 T CA -0.876 61.371 62.100 0.247 0.000 1.014 792 T CB 1.503 70.522 68.868 0.252 0.000 1.293 792 T HN 0.535 nan 8.240 nan 0.000 0.554 793 D N -0.481 120.005 120.400 0.144 0.000 2.751 793 D HA -0.115 4.524 4.640 -0.000 0.000 0.233 793 D C -0.313 176.011 176.300 0.040 0.000 1.149 793 D CA 0.382 54.426 54.000 0.074 0.000 0.682 793 D CB -1.797 39.050 40.800 0.078 0.000 1.068 793 D HN 0.502 nan 8.370 nan 0.000 0.429 794 V N 0.829 120.755 119.914 0.019 0.000 2.455 794 V HA 0.105 4.225 4.120 -0.000 0.000 0.273 794 V C 0.891 176.939 176.094 -0.078 0.000 1.045 794 V CA -0.055 62.209 62.300 -0.060 0.000 0.976 794 V CB 1.634 33.407 31.823 -0.084 0.000 0.993 794 V HN -0.010 nan 8.190 nan 0.000 0.475 795 E N 2.898 123.015 120.200 -0.138 0.000 2.222 795 E HA 0.274 4.623 4.350 -0.000 0.000 0.272 795 E C 0.273 176.762 176.600 -0.184 0.000 0.982 795 E CA -0.663 55.664 56.400 -0.121 0.000 0.842 795 E CB 1.446 31.086 29.700 -0.100 0.000 1.144 795 E HN 0.556 nan 8.360 nan 0.000 0.397 796 D N 0.439 120.823 120.400 -0.026 0.000 2.221 796 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 796 D C 1.571 177.862 176.300 -0.014 0.000 0.982 796 D CA 1.505 55.515 54.000 0.017 0.000 0.857 796 D CB -0.249 40.612 40.800 0.102 0.000 0.934 796 D HN 0.600 nan 8.370 nan 0.000 0.475 797 H N -1.226 117.857 119.070 0.021 0.000 2.547 797 H HA 0.174 4.730 4.556 -0.000 0.000 0.272 797 H C 0.828 176.163 175.328 0.011 0.000 0.989 797 H CA -0.073 55.984 56.048 0.015 0.000 1.214 797 H CB -0.353 29.418 29.762 0.015 0.000 1.389 797 H HN 0.011 nan 8.280 nan 0.000 0.577 798 M N 0.711 120.047 119.600 -0.439 0.000 2.248 798 M HA -0.011 4.469 4.480 -0.000 0.000 0.337 798 M C 0.906 177.152 176.300 -0.090 0.000 1.121 798 M CA -0.168 54.970 55.300 -0.269 0.000 1.155 798 M CB 0.518 32.913 32.600 -0.341 0.000 1.514 798 M HN 0.276 nan 8.290 nan 0.000 0.452 799 Y N 3.528 123.729 120.300 -0.165 0.000 2.114 799 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 799 Y C 1.830 177.603 175.900 -0.211 0.000 1.165 799 Y CA 2.504 60.507 58.100 -0.161 0.000 1.148 799 Y CB -0.146 38.201 38.460 -0.189 0.000 0.972 799 Y HN 0.724 nan 8.280 nan 0.000 0.504 800 I N -1.361 119.082 120.570 -0.212 0.000 3.001 800 I HA 0.056 4.226 4.170 -0.000 0.000 0.268 800 I C 1.992 178.026 176.117 -0.138 0.000 1.267 800 I CA 1.297 62.417 61.300 -0.300 0.000 1.472 800 I CB -0.554 37.195 38.000 -0.418 0.000 1.089 800 I HN 0.201 nan 8.210 nan 0.000 0.468 801 A N 1.264 123.994 122.820 -0.151 0.000 2.169 801 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 801 A C 2.207 179.761 177.584 -0.050 0.000 1.153 801 A CA 0.626 52.604 52.037 -0.099 0.000 0.756 801 A CB -0.157 18.777 19.000 -0.110 0.000 0.813 801 A HN 0.500 nan 8.150 nan 0.000 0.471 802 K N -0.753 119.590 120.400 -0.094 0.000 2.367 802 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 802 K C 0.416 176.995 176.600 -0.035 0.000 1.132 802 K CA 0.166 56.414 56.287 -0.065 0.000 0.941 802 K CB 0.372 32.813 32.500 -0.098 0.000 1.052 802 K HN 0.345 nan 8.250 nan 0.000 0.507 803 E N 2.341 122.434 120.200 -0.178 0.000 2.266 803 E HA 0.034 4.384 4.350 -0.000 0.000 0.277 803 E C -1.099 175.594 176.600 0.156 0.000 1.018 803 E CA -0.350 55.992 56.400 -0.097 0.000 0.840 803 E CB 1.109 30.445 29.700 -0.606 0.000 1.082 803 E HN 0.022 nan 8.360 nan 0.000 0.395 804 E N 2.457 122.768 120.200 0.185 0.000 2.257 804 E HA 0.043 4.392 4.350 -0.000 0.000 0.278 804 E C 0.211 176.855 176.600 0.074 0.000 1.049 804 E CA 0.162 56.628 56.400 0.110 0.000 0.876 804 E CB 0.679 30.380 29.700 0.002 0.000 1.035 804 E HN 0.676 nan 8.360 nan 0.000 0.419 805 S N 4.560 120.183 115.700 -0.128 0.000 2.406 805 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 805 S C 0.930 175.542 174.600 0.020 0.000 1.030 805 S CA 0.275 58.184 58.200 -0.485 0.000 0.958 805 S CB -0.257 62.358 63.200 -0.975 0.000 0.811 805 S HN 0.797 nan 8.310 nan 0.000 0.489 806 F N 1.396 121.293 119.950 -0.089 0.000 3.084 806 F HA -0.060 4.467 4.527 -0.000 0.000 0.286 806 F C 0.533 176.421 175.800 0.146 0.000 0.855 806 F CA 0.552 58.566 58.000 0.024 0.000 1.091 806 F CB -1.163 37.861 39.000 0.040 0.000 1.177 806 F HN 0.601 nan 8.300 nan 0.000 0.542 807 G N -0.711 108.108 108.800 0.032 0.000 2.766 807 G HA2 0.665 4.625 3.960 -0.000 0.000 0.288 807 G HA3 0.665 4.625 3.960 -0.000 0.000 0.288 807 G C -3.020 171.912 174.900 0.054 0.000 1.408 807 G CA -0.783 44.326 45.100 0.014 0.000 0.852 807 G HN -0.134 nan 8.290 nan 0.000 0.487 808 P HA 0.332 nan 4.420 nan 0.000 0.225 808 P C -0.761 176.803 177.300 0.439 0.000 1.813 808 P CA 0.060 63.411 63.100 0.419 0.000 1.013 808 P CB -0.375 31.692 31.700 0.611 0.000 1.961 809 I N 2.099 122.788 120.570 0.198 0.000 2.448 809 I HA 0.362 4.532 4.170 -0.000 0.000 0.281 809 I C 0.368 176.550 176.117 0.108 0.000 1.027 809 I CA -0.814 60.633 61.300 0.245 0.000 1.111 809 I CB 2.006 40.169 38.000 0.272 0.000 1.236 809 I HN 0.036 nan 8.210 nan 0.000 0.452 810 M N 7.456 127.108 119.600 0.087 0.000 2.146 810 M HA 0.508 4.988 4.480 -0.000 0.000 0.357 810 M C -1.226 175.160 176.300 0.144 0.000 1.261 810 M CA 0.024 55.322 55.300 -0.003 0.000 1.106 810 M CB 0.678 33.251 32.600 -0.046 0.000 1.612 810 M HN 0.497 nan 8.290 nan 0.000 0.470 811 I N 7.328 127.948 120.570 0.082 0.000 2.437 811 I HA 0.353 4.523 4.170 -0.000 0.000 0.279 811 I C -0.975 175.136 176.117 -0.009 0.000 1.028 811 I CA -0.288 61.074 61.300 0.102 0.000 1.142 811 I CB 1.052 39.093 38.000 0.069 0.000 1.266 811 I HN 0.652 nan 8.210 nan 0.000 0.461 812 I N 4.751 125.354 120.570 0.056 0.000 2.354 812 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 812 I C -0.046 176.089 176.117 0.029 0.000 0.989 812 I CA -0.171 61.150 61.300 0.034 0.000 1.188 812 I CB 1.739 39.827 38.000 0.147 0.000 1.342 812 I HN 0.424 nan 8.210 nan 0.000 0.457 813 S N 5.301 120.953 115.700 -0.080 0.000 2.566 813 S HA 0.604 5.074 4.470 -0.000 0.000 0.298 813 S C -0.319 174.356 174.600 0.124 0.000 1.083 813 S CA -0.887 57.297 58.200 -0.027 0.000 0.978 813 S CB 1.962 65.061 63.200 -0.167 0.000 1.073 813 S HN 0.486 nan 8.310 nan 0.000 0.491 814 R N 0.767 121.320 120.500 0.087 0.000 2.528 814 R HA 0.646 4.986 4.340 -0.000 0.000 0.271 814 R C -0.828 175.622 176.300 0.249 0.000 1.056 814 R CA -0.438 55.698 56.100 0.061 0.000 1.117 814 R CB 0.569 30.773 30.300 -0.161 0.000 1.085 814 R HN 0.648 nan 8.270 nan 0.000 0.530 815 F N -1.310 118.669 119.950 0.048 0.000 2.588 815 F HA 0.711 5.237 4.527 -0.000 0.000 0.310 815 F C -0.721 175.091 175.800 0.019 0.000 1.082 815 F CA -1.621 56.400 58.000 0.035 0.000 0.929 815 F CB 1.025 40.033 39.000 0.013 0.000 1.254 815 F HN 0.549 nan 8.300 nan 0.000 0.455 816 A N 1.864 124.763 122.820 0.132 0.000 2.462 816 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 816 A C -0.213 177.385 177.584 0.024 0.000 1.076 816 A CA -0.408 51.652 52.037 0.038 0.000 0.773 816 A CB -0.230 18.819 19.000 0.081 0.000 1.010 816 A HN 0.753 nan 8.150 nan 0.000 0.493 817 D N 1.147 121.528 120.400 -0.031 0.000 2.533 817 D HA 0.308 4.948 4.640 -0.000 0.000 0.236 817 D C 1.389 177.748 176.300 0.100 0.000 1.137 817 D CA 2.034 56.038 54.000 0.008 0.000 0.867 817 D CB 0.552 41.354 40.800 0.003 0.000 1.170 817 D HN 1.113 nan 8.370 nan 0.000 0.474 818 G N 2.509 111.412 108.800 0.172 0.000 2.205 818 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.261 818 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.261 818 G C 0.178 175.206 174.900 0.212 0.000 0.980 818 G CA -0.026 45.177 45.100 0.170 0.000 0.632 818 G HN 0.549 nan 8.290 nan 0.000 0.533 819 D N -0.095 120.479 120.400 0.289 0.000 2.350 819 D HA 0.525 5.165 4.640 -0.000 0.000 0.249 819 D C 1.219 177.716 176.300 0.329 0.000 1.119 819 D CA 0.430 54.590 54.000 0.267 0.000 0.886 819 D CB 1.820 42.780 40.800 0.266 0.000 1.195 819 D HN 0.103 nan 8.370 nan 0.000 0.437 820 V N 2.043 122.078 119.914 0.202 0.000 3.279 820 V HA -0.060 4.060 4.120 -0.000 0.000 0.213 820 V C 1.468 177.628 176.094 0.111 0.000 1.335 820 V CA 0.029 62.457 62.300 0.214 0.000 1.317 820 V CB -0.041 31.910 31.823 0.214 0.000 1.209 820 V HN 0.352 nan 8.190 nan 0.000 0.525 821 D N 1.377 121.849 120.400 0.119 0.000 2.144 821 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 821 D C 2.095 178.393 176.300 -0.003 0.000 0.984 821 D CA 1.672 55.723 54.000 0.086 0.000 0.834 821 D CB -0.101 40.757 40.800 0.097 0.000 0.955 821 D HN 0.422 nan 8.370 nan 0.000 0.465 822 A N 0.542 123.360 122.820 -0.004 0.000 1.877 822 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 822 A C 2.411 179.912 177.584 -0.138 0.000 1.186 822 A CA 1.311 53.328 52.037 -0.034 0.000 0.620 822 A CB -0.833 18.180 19.000 0.021 0.000 0.822 822 A HN 0.194 nan 8.150 nan 0.000 0.443 823 V N -0.121 119.645 119.914 -0.248 0.000 2.548 823 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 823 V C 2.366 178.114 176.094 -0.577 0.000 1.055 823 V CA 1.815 63.775 62.300 -0.565 0.000 1.065 823 V CB -0.424 30.744 31.823 -1.091 0.000 0.681 823 V HN 0.570 nan 8.190 nan 0.000 0.462 824 L N -0.275 120.744 121.223 -0.339 0.000 2.046 824 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 824 L C 2.699 179.436 176.870 -0.222 0.000 1.077 824 L CA 2.010 56.694 54.840 -0.260 0.000 0.747 824 L CB -0.670 41.306 42.059 -0.139 0.000 0.896 824 L HN 0.311 nan 8.230 nan 0.000 0.432 825 S N -0.404 115.197 115.700 -0.164 0.000 2.359 825 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 825 S C 2.019 176.543 174.600 -0.127 0.000 1.035 825 S CA 1.379 59.511 58.200 -0.112 0.000 1.018 825 S CB -0.247 62.912 63.200 -0.068 0.000 0.876 825 S HN 0.372 nan 8.310 nan 0.000 0.448 826 R N 1.166 121.548 120.500 -0.196 0.000 2.075 826 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 826 R C 2.581 178.780 176.300 -0.168 0.000 1.126 826 R CA 1.236 57.241 56.100 -0.158 0.000 0.963 826 R CB -0.497 29.694 30.300 -0.181 0.000 0.858 826 R HN 0.399 nan 8.270 nan 0.000 0.435 827 A N 1.431 123.984 122.820 -0.446 0.000 1.972 827 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 827 A C 1.558 179.108 177.584 -0.056 0.000 1.169 827 A CA 1.337 53.215 52.037 -0.265 0.000 0.635 827 A CB -0.246 18.510 19.000 -0.406 0.000 0.810 827 A HN 0.220 nan 8.150 nan 0.000 0.446 828 N N -0.105 118.544 118.700 -0.085 0.000 2.398 828 N HA 0.145 4.885 4.740 -0.000 0.000 0.188 828 N C 1.357 176.862 175.510 -0.008 0.000 1.122 828 N CA 0.814 53.844 53.050 -0.033 0.000 0.866 828 N CB -0.072 38.385 38.487 -0.050 0.000 0.970 828 N HN 0.448 nan 8.380 nan 0.000 0.462 829 A N 0.077 122.896 122.820 -0.001 0.000 2.216 829 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 829 A C 1.374 178.958 177.584 0.001 0.000 1.160 829 A CA 0.625 52.665 52.037 0.004 0.000 0.725 829 A CB -0.337 18.674 19.000 0.017 0.000 0.784 829 A HN 0.192 nan 8.150 nan 0.000 0.472 830 T N -1.341 113.222 114.554 0.014 0.000 2.899 830 T HA 0.230 4.580 4.350 -0.000 0.000 0.284 830 T C 0.800 175.464 174.700 -0.060 0.000 1.004 830 T CA -0.386 61.708 62.100 -0.011 0.000 1.043 830 T CB 0.658 69.571 68.868 0.074 0.000 1.013 830 T HN 0.234 nan 8.240 nan 0.000 0.518 831 E N 1.969 122.052 120.200 -0.196 0.000 2.481 831 E HA 0.103 4.453 4.350 -0.000 0.000 0.195 831 E C -0.011 176.478 176.600 -0.184 0.000 1.047 831 E CA 0.137 56.408 56.400 -0.215 0.000 0.867 831 E CB 0.009 29.538 29.700 -0.285 0.000 0.858 831 E HN 0.529 nan 8.360 nan 0.000 0.513 832 F N 0.204 120.168 119.950 0.023 0.000 2.375 832 F HA 0.464 4.991 4.527 -0.000 0.000 0.313 832 F C 1.534 177.345 175.800 0.018 0.000 1.176 832 F CA -0.365 57.646 58.000 0.018 0.000 1.142 832 F CB 1.038 40.046 39.000 0.014 0.000 1.275 832 F HN -0.133 nan 8.300 nan 0.000 0.544 833 G N 0.772 109.706 108.800 0.223 0.000 5.374 833 G HA2 0.244 4.204 3.960 -0.000 0.000 0.198 833 G HA3 0.244 4.204 3.960 -0.000 0.000 0.198 833 G C -0.031 174.789 174.900 -0.132 0.000 0.812 833 G CA -0.183 44.958 45.100 0.068 0.000 0.614 833 G HN 0.546 nan 8.290 nan 0.000 0.357 834 L N 0.496 121.641 121.223 -0.130 0.000 2.130 834 L HA 0.820 5.160 4.340 -0.000 0.000 0.200 834 L C 1.173 177.822 176.870 -0.368 0.000 1.075 834 L CA 2.018 56.694 54.840 -0.273 0.000 0.768 834 L CB 0.037 41.972 42.059 -0.207 0.000 0.933 834 L HN 0.411 nan 8.230 nan 0.000 0.451 835 A N -2.076 120.610 122.820 -0.223 0.000 2.552 835 A HA 0.847 5.167 4.320 -0.000 0.000 0.288 835 A C -0.896 176.640 177.584 -0.080 0.000 1.193 835 A CA 0.200 52.099 52.037 -0.231 0.000 0.713 835 A CB 1.126 20.043 19.000 -0.138 0.000 1.305 835 A HN 0.361 nan 8.150 nan 0.000 0.424 836 S N -2.007 113.662 115.700 -0.051 0.000 2.645 836 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 836 S C -0.480 174.219 174.600 0.164 0.000 1.110 836 S CA -0.119 58.130 58.200 0.083 0.000 0.823 836 S CB 0.684 63.874 63.200 -0.017 0.000 1.091 836 S HN 2.504 nan 8.310 nan 0.000 0.466 837 G N -0.873 108.066 108.800 0.232 0.000 2.677 837 G HA2 0.727 4.687 3.960 -0.000 0.000 0.291 837 G HA3 0.727 4.687 3.960 -0.000 0.000 0.291 837 G C -1.922 173.026 174.900 0.081 0.000 1.435 837 G CA -0.280 44.974 45.100 0.258 0.000 0.826 837 G HN 1.670 nan 8.290 nan 0.000 0.491 838 V N 0.495 120.485 119.914 0.126 0.000 2.733 838 V HA 0.776 4.896 4.120 -0.000 0.000 0.306 838 V C -1.772 174.545 176.094 0.372 0.000 1.084 838 V CA -0.995 61.399 62.300 0.157 0.000 0.905 838 V CB 1.538 33.505 31.823 0.240 0.000 1.010 838 V HN 0.570 nan 8.190 nan 0.000 0.424 839 F N 4.462 124.568 119.950 0.261 0.000 2.402 839 F HA 0.854 5.381 4.527 0.000 0.000 0.355 839 F C 0.380 176.363 175.800 0.305 0.000 1.123 839 F CA -0.664 57.475 58.000 0.232 0.000 1.021 839 F CB 1.618 40.724 39.000 0.177 0.000 1.160 839 F HN 0.592 nan 8.300 nan 0.000 0.451 840 T N 2.824 117.620 114.554 0.403 0.000 3.087 840 T HA 0.300 4.650 4.350 -0.000 0.000 0.351 840 T C 0.467 175.256 174.700 0.149 0.000 1.520 840 T CA -0.610 61.649 62.100 0.266 0.000 1.111 840 T CB 1.149 70.107 68.868 0.150 0.000 1.353 840 T HN 0.704 nan 8.240 nan 0.000 0.481 841 R N 1.109 121.671 120.500 0.103 0.000 2.299 841 R HA 0.110 4.450 4.340 -0.000 0.000 0.197 841 R C -0.045 176.275 176.300 0.033 0.000 0.971 841 R CA -0.006 56.132 56.100 0.063 0.000 1.030 841 R CB 0.152 30.485 30.300 0.054 0.000 0.932 841 R HN 0.480 nan 8.270 nan 0.000 0.477 842 D N 1.264 121.669 120.400 0.009 0.000 2.339 842 D HA 0.001 4.641 4.640 -0.000 0.000 0.241 842 D C 0.950 177.239 176.300 -0.020 0.000 1.183 842 D CA -0.073 53.912 54.000 -0.025 0.000 0.859 842 D CB 0.760 41.514 40.800 -0.078 0.000 1.067 842 D HN 0.004 nan 8.370 nan 0.000 0.484 843 I N 4.162 124.730 120.570 -0.003 0.000 2.208 843 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 843 I C 1.261 177.380 176.117 0.003 0.000 1.097 843 I CA 1.088 62.393 61.300 0.008 0.000 1.363 843 I CB 0.161 38.168 38.000 0.011 0.000 1.051 843 I HN 0.309 nan 8.210 nan 0.000 0.413 844 N N 1.155 119.846 118.700 -0.015 0.000 2.120 844 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 844 N C 1.755 177.259 175.510 -0.010 0.000 1.024 844 N CA 1.236 54.276 53.050 -0.016 0.000 0.852 844 N CB -0.283 38.177 38.487 -0.045 0.000 1.003 844 N HN 0.357 nan 8.380 nan 0.000 0.424 845 K N 0.572 120.930 120.400 -0.070 0.000 2.026 845 K HA 0.007 4.327 4.320 -0.000 0.000 0.208 845 K C 1.992 178.581 176.600 -0.017 0.000 1.048 845 K CA 1.117 57.337 56.287 -0.112 0.000 0.929 845 K CB -0.181 32.097 32.500 -0.370 0.000 0.713 845 K HN 0.138 nan 8.250 nan 0.000 0.439 846 A N 1.550 124.368 122.820 -0.003 0.000 1.883 846 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 846 A C 2.144 179.768 177.584 0.065 0.000 1.186 846 A CA 1.445 53.516 52.037 0.057 0.000 0.624 846 A CB -0.709 18.331 19.000 0.066 0.000 0.822 846 A HN 0.187 nan 8.150 nan 0.000 0.444 847 L N -2.484 118.776 121.223 0.062 0.000 2.056 847 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 847 L C 2.616 179.534 176.870 0.081 0.000 1.078 847 L CA 1.667 56.543 54.840 0.060 0.000 0.749 847 L CB -0.675 41.417 42.059 0.054 0.000 0.901 847 L HN 0.580 nan 8.230 nan 0.000 0.433 848 Y N 0.497 120.786 120.300 -0.019 0.000 2.145 848 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 848 Y C 2.427 178.321 175.900 -0.010 0.000 1.145 848 Y CA 1.643 59.731 58.100 -0.019 0.000 1.148 848 Y CB -0.329 38.112 38.460 -0.032 0.000 0.981 848 Y HN -0.178 nan 8.280 nan 0.000 0.507 849 V N 0.217 120.157 119.914 0.044 0.000 2.407 849 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 849 V C 2.635 178.685 176.094 -0.075 0.000 1.055 849 V CA 2.146 64.430 62.300 -0.027 0.000 1.049 849 V CB -1.161 30.736 31.823 0.124 0.000 0.662 849 V HN 0.665 nan 8.190 nan 0.000 0.455 850 S N -0.350 115.331 115.700 -0.032 0.000 2.402 850 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 850 S C 1.655 176.210 174.600 -0.075 0.000 1.021 850 S CA 1.496 59.670 58.200 -0.042 0.000 0.974 850 S CB -0.478 62.713 63.200 -0.015 0.000 0.800 850 S HN 0.564 nan 8.310 nan 0.000 0.484 851 D N 1.730 122.066 120.400 -0.106 0.000 2.117 851 D HA -0.011 4.629 4.640 -0.000 0.000 0.197 851 D C 1.960 178.163 176.300 -0.162 0.000 0.987 851 D CA 1.077 55.002 54.000 -0.125 0.000 0.829 851 D CB -0.113 40.595 40.800 -0.153 0.000 0.961 851 D HN 0.344 nan 8.370 nan 0.000 0.460 852 K N 0.051 120.293 120.400 -0.262 0.000 2.305 852 K HA 0.107 4.427 4.320 -0.000 0.000 0.199 852 K C 0.762 177.274 176.600 -0.146 0.000 1.047 852 K CA -0.091 56.040 56.287 -0.260 0.000 0.976 852 K CB 0.093 32.330 32.500 -0.438 0.000 0.765 852 K HN 0.213 nan 8.250 nan 0.000 0.474 853 L N 2.797 123.953 121.223 -0.111 0.000 2.462 853 L HA 0.002 4.341 4.340 -0.000 0.000 0.272 853 L C 0.635 177.500 176.870 -0.009 0.000 1.166 853 L CA 0.003 54.803 54.840 -0.067 0.000 0.880 853 L CB 0.460 42.480 42.059 -0.066 0.000 1.142 853 L HN -0.082 nan 8.230 nan 0.000 0.473 854 Q N 4.331 124.144 119.800 0.021 0.000 3.150 854 Q HA 0.463 4.803 4.340 -0.000 0.000 0.297 854 Q C -0.479 175.618 176.000 0.161 0.000 1.382 854 Q CA -0.097 55.782 55.803 0.127 0.000 1.059 854 Q CB 0.955 29.745 28.738 0.086 0.000 1.559 854 Q HN 0.626 nan 8.270 nan 0.000 0.548 855 A N -1.112 121.733 122.820 0.041 0.000 2.549 855 A HA 0.690 5.010 4.320 -0.000 0.000 0.297 855 A C 0.973 178.056 177.584 -0.835 0.000 1.061 855 A CA -0.261 51.587 52.037 -0.316 0.000 0.690 855 A CB 1.179 20.046 19.000 -0.221 0.000 1.287 855 A HN 0.381 nan 8.150 nan 0.000 0.402 856 G N 0.072 108.083 108.800 -1.315 0.000 2.471 856 G HA2 0.294 4.254 3.960 -0.000 0.000 0.219 856 G HA3 0.294 4.254 3.960 -0.000 0.000 0.219 856 G C 0.495 174.977 174.900 -0.696 0.000 1.125 856 G CA 1.625 45.907 45.100 -1.365 0.000 0.775 856 G HN 0.815 nan 8.290 nan 0.000 0.548 857 T N -0.415 113.761 114.554 -0.630 0.000 2.886 857 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 857 T C -1.132 173.197 174.700 -0.619 0.000 1.012 857 T CA -0.411 61.308 62.100 -0.634 0.000 0.982 857 T CB 2.802 71.187 68.868 -0.805 0.000 1.018 857 T HN -0.114 nan 8.240 nan 0.000 0.451 858 V N 3.787 123.362 119.914 -0.565 0.000 2.444 858 V HA 0.541 4.661 4.120 -0.000 0.000 0.294 858 V C -1.063 174.762 176.094 -0.448 0.000 1.022 858 V CA -0.891 61.164 62.300 -0.409 0.000 0.850 858 V CB 1.000 32.710 31.823 -0.189 0.000 0.992 858 V HN 0.770 nan 8.190 nan 0.000 0.426 859 F N 4.780 124.665 119.950 -0.109 0.000 2.404 859 F HA 0.623 5.150 4.527 -0.000 0.000 0.339 859 F C 0.312 176.158 175.800 0.077 0.000 1.105 859 F CA -0.856 57.109 58.000 -0.058 0.000 1.087 859 F CB 1.297 40.202 39.000 -0.158 0.000 1.143 859 F HN 0.238 nan 8.300 nan 0.000 0.491 860 I N 3.906 124.652 120.570 0.294 0.000 2.411 860 I HA 0.234 4.404 4.170 -0.000 0.000 0.284 860 I C -0.373 175.916 176.117 0.287 0.000 1.012 860 I CA -0.666 60.794 61.300 0.268 0.000 1.119 860 I CB 1.039 39.135 38.000 0.160 0.000 1.261 860 I HN 0.595 nan 8.210 nan 0.000 0.448 861 N N 2.206 121.150 118.700 0.407 0.000 2.741 861 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 861 N C -0.153 175.404 175.510 0.077 0.000 1.115 861 N CA 1.400 54.570 53.050 0.200 0.000 0.724 861 N CB -0.819 37.727 38.487 0.098 0.000 1.090 861 N HN 0.799 nan 8.380 nan 0.000 0.558 862 T N -1.921 112.797 114.554 0.273 0.000 2.693 862 T HA 0.641 4.991 4.350 -0.000 0.000 0.304 862 T C -2.234 172.636 174.700 0.283 0.000 1.471 862 T CA -0.504 61.691 62.100 0.159 0.000 0.993 862 T CB 1.404 70.305 68.868 0.054 0.000 1.554 862 T HN 0.115 nan 8.240 nan 0.000 0.496 863 Y N 0.783 120.960 120.300 -0.205 0.000 2.592 863 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 863 Y C 0.249 175.635 175.900 -0.857 0.000 1.136 863 Y CA -0.474 57.246 58.100 -0.634 0.000 1.042 863 Y CB 1.501 39.868 38.460 -0.154 0.000 1.325 863 Y HN 0.835 nan 8.280 nan 0.000 0.457 864 N N 1.124 119.011 118.700 -1.355 0.000 2.753 864 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 864 N C -0.604 174.585 175.510 -0.535 0.000 1.097 864 N CA 1.136 53.770 53.050 -0.693 0.000 0.786 864 N CB -0.683 37.530 38.487 -0.456 0.000 1.137 864 N HN 0.394 nan 8.380 nan 0.000 0.566 865 K N 2.017 122.036 120.400 -0.635 0.000 2.307 865 K HA 0.172 4.492 4.320 -0.000 0.000 0.240 865 K C 0.016 176.690 176.600 0.124 0.000 1.214 865 K CA -0.148 56.049 56.287 -0.149 0.000 1.149 865 K CB -0.413 32.047 32.500 -0.067 0.000 1.668 865 K HN 0.274 nan 8.250 nan 0.000 0.314 866 T N -0.884 113.711 114.554 0.068 0.000 2.874 866 T HA 0.411 4.761 4.350 -0.000 0.000 0.281 866 T C -0.394 174.289 174.700 -0.029 0.000 0.994 866 T CA -0.824 61.329 62.100 0.089 0.000 1.015 866 T CB 1.330 70.258 68.868 0.102 0.000 1.028 866 T HN 0.419 nan 8.240 nan 0.000 0.523 867 D N 0.108 120.440 120.400 -0.112 0.000 2.837 867 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 867 D C 1.310 177.410 176.300 -0.332 0.000 1.236 867 D CA -0.639 53.256 54.000 -0.175 0.000 0.838 867 D CB 2.548 43.268 40.800 -0.134 0.000 1.647 867 D HN 0.472 nan 8.370 nan 0.000 0.486 868 V N 1.421 121.091 119.914 -0.407 0.000 2.867 868 V HA -0.030 4.090 4.120 -0.000 0.000 0.260 868 V C 1.671 177.162 176.094 -1.005 0.000 1.099 868 V CA 1.961 63.878 62.300 -0.638 0.000 1.122 868 V CB -0.883 30.616 31.823 -0.540 0.000 0.708 868 V HN 0.525 nan 8.190 nan 0.000 0.490 869 A N -0.016 122.298 122.820 -0.844 0.000 2.218 869 A HA 0.725 5.045 4.320 -0.000 0.000 0.209 869 A C 1.383 178.808 177.584 -0.265 0.000 1.168 869 A CA 0.590 52.215 52.037 -0.688 0.000 0.804 869 A CB -0.339 18.462 19.000 -0.331 0.000 0.834 869 A HN 1.043 nan 8.150 nan 0.000 0.482 870 A N 1.650 124.323 122.820 -0.246 0.000 2.258 870 A HA 0.646 4.966 4.320 -0.000 0.000 0.316 870 A C -2.799 174.719 177.584 -0.111 0.000 1.279 870 A CA -1.891 50.069 52.037 -0.128 0.000 0.876 870 A CB 0.428 19.369 19.000 -0.099 0.000 1.170 870 A HN 0.162 nan 8.150 nan 0.000 0.520 871 P HA 0.224 nan 4.420 nan 0.000 0.269 871 P C -0.932 176.369 177.300 0.002 0.000 1.209 871 P CA 0.243 63.331 63.100 -0.020 0.000 0.776 871 P CB 0.403 32.106 31.700 0.006 0.000 0.876 872 F N 1.998 121.853 119.950 -0.158 0.000 2.612 872 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 872 F C -0.355 175.398 175.800 -0.078 0.000 1.167 872 F CA 0.159 58.069 58.000 -0.150 0.000 0.970 872 F CB 1.521 40.389 39.000 -0.222 0.000 1.234 872 F HN 0.561 nan 8.300 nan 0.000 0.453 873 G N 2.686 111.323 108.800 -0.271 0.000 2.523 873 G HA2 0.487 4.447 3.960 -0.000 0.000 0.291 873 G HA3 0.487 4.447 3.960 -0.000 0.000 0.291 873 G C -1.505 173.224 174.900 -0.284 0.000 1.450 873 G CA -0.288 44.729 45.100 -0.138 0.000 0.790 873 G HN 0.926 nan 8.290 nan 0.000 0.496 874 G N -1.294 107.413 108.800 -0.154 0.000 2.509 874 G HA2 0.732 4.692 3.960 -0.000 0.000 0.328 874 G HA3 0.732 4.692 3.960 -0.000 0.000 0.328 874 G C -1.111 173.835 174.900 0.077 0.000 1.194 874 G CA -0.648 44.338 45.100 -0.190 0.000 0.967 874 G HN 0.365 nan 8.290 nan 0.000 0.488 875 F N -0.347 119.601 119.950 -0.003 0.000 2.572 875 F HA 0.616 5.143 4.527 -0.000 0.000 0.342 875 F C 1.173 177.005 175.800 0.054 0.000 1.064 875 F CA -1.248 56.768 58.000 0.027 0.000 1.008 875 F CB 1.250 40.250 39.000 -0.000 0.000 1.303 875 F HN 0.632 nan 8.300 nan 0.000 0.492 876 K N -0.329 120.232 120.400 0.269 0.000 1.867 876 K HA -0.304 4.016 4.320 -0.000 0.000 0.140 876 K C 0.813 177.505 176.600 0.154 0.000 1.408 876 K CA 1.644 58.027 56.287 0.160 0.000 0.461 876 K CB -0.820 31.757 32.500 0.129 0.000 0.594 876 K HN 0.694 nan 8.250 nan 0.000 0.888 877 Q N 0.641 120.515 119.800 0.123 0.000 2.415 877 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 877 Q C 1.230 177.384 176.000 0.256 0.000 0.946 877 Q CA 0.375 56.255 55.803 0.129 0.000 0.951 877 Q CB 0.258 29.001 28.738 0.009 0.000 1.026 877 Q HN 0.326 nan 8.270 nan 0.000 0.510 878 S N -0.038 115.823 115.700 0.268 0.000 2.522 878 S HA 0.114 4.584 4.470 -0.000 0.000 0.227 878 S C 0.891 175.511 174.600 0.034 0.000 0.986 878 S CA 0.532 58.832 58.200 0.167 0.000 0.929 878 S CB 0.249 63.502 63.200 0.089 0.000 0.769 878 S HN 0.688 nan 8.310 nan 0.000 0.529 879 G N 1.116 109.923 108.800 0.012 0.000 2.384 879 G HA2 0.069 4.029 3.960 -0.000 0.000 0.200 879 G HA3 0.069 4.029 3.960 -0.000 0.000 0.200 879 G C -1.044 173.810 174.900 -0.077 0.000 1.205 879 G CA -0.436 44.524 45.100 -0.234 0.000 1.116 879 G HN 0.683 nan 8.290 nan 0.000 0.547 880 F N -2.119 117.883 119.950 0.088 0.000 2.741 880 F HA 0.787 5.314 4.527 -0.000 0.000 0.311 880 F C 0.438 176.272 175.800 0.057 0.000 1.149 880 F CA -0.260 57.787 58.000 0.079 0.000 0.930 880 F CB 1.030 40.061 39.000 0.052 0.000 1.312 880 F HN 2.520 nan 8.300 nan 0.000 0.450 881 G N 1.630 110.626 108.800 0.326 0.000 2.692 881 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 881 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 881 G C -1.866 173.110 174.900 0.127 0.000 1.243 881 G CA -1.149 44.066 45.100 0.191 0.000 0.782 881 G HN 0.687 nan 8.290 nan 0.000 0.625 882 K N 1.123 121.581 120.400 0.095 0.000 2.207 882 K HA 0.581 4.901 4.320 -0.000 0.000 0.255 882 K C -0.477 176.188 176.600 0.108 0.000 0.941 882 K CA -0.845 55.502 56.287 0.100 0.000 0.825 882 K CB 1.873 34.417 32.500 0.073 0.000 1.119 882 K HN 0.593 nan 8.250 nan 0.000 0.430 883 D N 2.099 122.583 120.400 0.140 0.000 2.217 883 D HA 0.528 5.168 4.640 -0.000 0.000 0.248 883 D C 0.515 176.779 176.300 -0.059 0.000 1.008 883 D CA -0.391 53.649 54.000 0.067 0.000 0.914 883 D CB 1.062 41.932 40.800 0.117 0.000 1.182 883 D HN 0.359 nan 8.370 nan 0.000 0.451 884 L N -0.323 120.872 121.223 -0.047 0.000 0.584 884 L HA -0.122 4.217 4.340 -0.000 0.000 0.356 884 L C 0.672 177.605 176.870 0.105 0.000 0.992 884 L CA 0.430 55.237 54.840 -0.054 0.000 1.223 884 L CB -1.224 40.533 42.059 -0.503 0.000 0.009 884 L HN 0.872 nan 8.230 nan 0.000 0.091 885 G N 0.360 109.173 108.800 0.021 0.000 2.860 885 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.553 885 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.553 885 G C 0.377 175.459 174.900 0.303 0.000 1.439 885 G CA 0.756 45.934 45.100 0.131 0.000 0.879 885 G HN 1.164 nan 8.290 nan 0.000 0.545 886 E N -0.037 120.286 120.200 0.205 0.000 2.130 886 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 886 E C 2.873 179.387 176.600 -0.142 0.000 0.998 886 E CA 2.072 58.333 56.400 -0.231 0.000 0.806 886 E CB -0.365 29.198 29.700 -0.229 0.000 0.738 886 E HN 1.123 nan 8.360 nan 0.000 0.459 887 A N 1.074 123.886 122.820 -0.013 0.000 1.978 887 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 887 A C 2.368 179.964 177.584 0.020 0.000 1.170 887 A CA 1.822 53.856 52.037 -0.004 0.000 0.636 887 A CB -0.735 18.278 19.000 0.022 0.000 0.810 887 A HN 0.431 nan 8.150 nan 0.000 0.448 888 A N -0.287 122.585 122.820 0.087 0.000 1.972 888 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 888 A C 2.088 179.717 177.584 0.076 0.000 1.169 888 A CA 1.425 53.519 52.037 0.095 0.000 0.635 888 A CB -0.565 18.522 19.000 0.145 0.000 0.810 888 A HN 0.501 nan 8.150 nan 0.000 0.446 889 L N -0.139 121.103 121.223 0.031 0.000 2.131 889 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 889 L C 2.071 178.956 176.870 0.024 0.000 1.092 889 L CA 1.053 55.900 54.840 0.012 0.000 0.759 889 L CB -0.649 41.339 42.059 -0.118 0.000 0.903 889 L HN 0.358 nan 8.230 nan 0.000 0.435 890 N N -0.150 118.535 118.700 -0.026 0.000 2.289 890 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 890 N C 1.657 177.131 175.510 -0.060 0.000 1.016 890 N CA 0.928 53.956 53.050 -0.037 0.000 0.872 890 N CB -0.165 38.296 38.487 -0.043 0.000 0.973 890 N HN 0.344 nan 8.380 nan 0.000 0.433 891 E N -0.301 119.831 120.200 -0.112 0.000 2.268 891 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 891 E C 0.501 176.840 176.600 -0.435 0.000 0.995 891 E CA 0.767 56.992 56.400 -0.293 0.000 0.836 891 E CB -0.126 29.309 29.700 -0.441 0.000 0.763 891 E HN 0.549 nan 8.360 nan 0.000 0.491 892 Y N -0.624 119.659 120.300 -0.028 0.000 2.612 892 Y HA 0.320 4.870 4.550 -0.000 0.000 0.250 892 Y C 0.516 176.410 175.900 -0.010 0.000 1.175 892 Y CA -0.132 57.953 58.100 -0.025 0.000 1.205 892 Y CB 0.682 39.117 38.460 -0.041 0.000 1.201 892 Y HN -0.167 nan 8.280 nan 0.000 0.532 893 L N 0.884 122.156 121.223 0.082 0.000 2.323 893 L HA 0.654 4.994 4.340 -0.000 0.000 0.265 893 L C -0.314 176.573 176.870 0.029 0.000 1.012 893 L CA -1.201 53.676 54.840 0.062 0.000 0.820 893 L CB 2.359 44.444 42.059 0.044 0.000 1.334 893 L HN -0.024 nan 8.230 nan 0.000 0.427 894 R N 0.994 121.516 120.500 0.037 0.000 2.854 894 R HA 0.776 5.116 4.340 -0.000 0.000 0.271 894 R C -1.435 174.880 176.300 0.025 0.000 0.996 894 R CA -0.811 55.302 56.100 0.023 0.000 0.961 894 R CB 1.862 32.179 30.300 0.028 0.000 1.182 894 R HN 0.466 nan 8.270 nan 0.000 0.479 895 I N 1.612 122.191 120.570 0.015 0.000 2.362 895 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 895 I C -0.354 175.773 176.117 0.016 0.000 0.994 895 I CA -0.768 60.541 61.300 0.016 0.000 1.158 895 I CB 1.899 39.904 38.000 0.008 0.000 1.315 895 I HN 0.574 nan 8.210 nan 0.000 0.451 896 K N 5.241 125.654 120.400 0.021 0.000 2.213 896 K HA 0.462 4.781 4.320 -0.000 0.000 0.270 896 K C -0.785 175.825 176.600 0.017 0.000 1.002 896 K CA -0.331 55.966 56.287 0.017 0.000 0.868 896 K CB 1.256 33.767 32.500 0.019 0.000 1.093 896 K HN 0.503 nan 8.250 nan 0.000 0.454 897 T N 3.168 117.729 114.554 0.011 0.000 2.767 897 T HA 0.283 4.633 4.350 -0.000 0.000 0.288 897 T C -0.723 173.978 174.700 0.003 0.000 0.963 897 T CA -0.560 61.550 62.100 0.017 0.000 1.019 897 T CB 1.142 70.019 68.868 0.014 0.000 0.923 897 T HN 0.303 nan 8.240 nan 0.000 0.468 898 V N 3.974 123.900 119.914 0.019 0.000 2.409 898 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 898 V C 0.094 176.195 176.094 0.013 0.000 1.020 898 V CA -0.686 61.589 62.300 -0.040 0.000 0.848 898 V CB 1.874 33.668 31.823 -0.047 0.000 0.990 898 V HN 0.944 nan 8.190 nan 0.000 0.430 899 T N 5.791 120.307 114.554 -0.063 0.000 2.847 899 T HA 0.645 4.995 4.350 -0.000 0.000 0.291 899 T C -0.750 173.962 174.700 0.021 0.000 0.998 899 T CA -0.143 61.998 62.100 0.067 0.000 0.967 899 T CB 0.525 69.424 68.868 0.052 0.000 0.954 899 T HN 0.267 nan 8.240 nan 0.000 0.441 900 F N 1.811 121.808 119.950 0.078 0.000 2.425 900 F HA 0.534 5.061 4.527 -0.000 0.000 0.331 900 F C 0.802 176.695 175.800 0.154 0.000 1.085 900 F CA -1.150 56.917 58.000 0.112 0.000 1.028 900 F CB 1.218 40.299 39.000 0.135 0.000 1.177 900 F HN 0.419 nan 8.300 nan 0.000 0.487 901 E N 2.575 122.971 120.200 0.326 0.000 2.199 901 E HA 0.465 4.814 4.350 -0.000 0.000 0.269 901 E C -1.663 175.122 176.600 0.309 0.000 0.899 901 E CA -0.534 56.000 56.400 0.223 0.000 0.772 901 E CB 1.673 31.429 29.700 0.094 0.000 1.155 901 E HN 0.622 nan 8.360 nan 0.000 0.408 902 Y N 0.000 120.344 120.300 0.074 0.000 2.660 902 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 902 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 902 Y CB 0.000 38.483 38.460 0.039 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758