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_A 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 0.000 176.053 176.094 -0.069 0.000 1.182 405 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 405 V CB 0.000 31.828 31.823 0.008 0.000 1.184 406 I N 2.915 123.377 120.570 -0.180 0.000 2.396 406 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 406 I C 0.537 176.246 176.117 -0.680 0.000 0.999 406 I CA -0.159 60.883 61.300 -0.430 0.000 1.310 406 I CB 1.211 38.853 38.000 -0.596 0.000 1.404 406 I HN 0.675 nan 8.210 nan 0.000 0.496 407 N N 5.221 123.614 118.700 -0.511 0.000 2.497 407 N HA 0.274 5.013 4.740 -0.000 0.000 0.268 407 N C -1.453 173.800 175.510 -0.429 0.000 1.171 407 N CA -0.074 52.779 53.050 -0.327 0.000 0.948 407 N CB 0.524 38.950 38.487 -0.103 0.000 1.069 407 N HN 0.338 nan 8.380 nan 0.000 0.460 408 Y N 0.118 120.466 120.300 0.080 0.000 2.524 408 Y HA 0.401 4.951 4.550 -0.000 0.000 0.344 408 Y C -0.042 175.929 175.900 0.117 0.000 1.012 408 Y CA -1.115 57.029 58.100 0.075 0.000 1.068 408 Y CB 1.068 39.523 38.460 -0.009 0.000 1.249 408 Y HN 0.120 nan 8.280 nan 0.000 0.468 409 V N 2.281 122.354 119.914 0.265 0.000 2.432 409 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 409 V C -0.064 176.074 176.094 0.074 0.000 1.046 409 V CA -0.622 61.726 62.300 0.081 0.000 0.945 409 V CB 0.938 32.757 31.823 -0.007 0.000 0.992 409 V HN 0.742 nan 8.190 nan 0.000 0.471 410 E N 5.285 125.507 120.200 0.037 0.000 2.204 410 E HA 0.574 4.923 4.350 -0.000 0.000 0.276 410 E C -0.646 175.943 176.600 -0.017 0.000 0.974 410 E CA -0.795 55.605 56.400 -0.000 0.000 0.815 410 E CB 1.288 30.987 29.700 -0.002 0.000 1.119 410 E HN 0.633 nan 8.360 nan 0.000 0.393 411 K N 2.708 123.091 120.400 -0.028 0.000 2.588 411 K HA 0.450 4.770 4.320 -0.000 0.000 0.250 411 K C -1.840 174.738 176.600 -0.037 0.000 0.972 411 K CA -0.623 55.645 56.287 -0.030 0.000 0.821 411 K CB 1.660 34.144 32.500 -0.026 0.000 1.249 411 K HN 0.505 nan 8.250 nan 0.000 0.442 412 A N 3.433 126.231 122.820 -0.037 0.000 2.310 412 A HA 0.582 4.902 4.320 -0.000 0.000 0.300 412 A C -0.924 176.632 177.584 -0.046 0.000 1.269 412 A CA -0.400 51.612 52.037 -0.042 0.000 0.909 412 A CB 0.722 19.699 19.000 -0.038 0.000 1.144 412 A HN 0.494 nan 8.150 nan 0.000 0.540 413 V N 3.160 123.041 119.914 -0.055 0.000 3.098 413 V HA 0.503 4.623 4.120 -0.000 0.000 0.294 413 V C -0.076 175.961 176.094 -0.095 0.000 1.351 413 V CA -0.128 62.132 62.300 -0.067 0.000 0.999 413 V CB 1.960 33.749 31.823 -0.058 0.000 1.104 413 V HN 1.252 nan 8.190 nan 0.000 0.438 414 N N 3.401 122.028 118.700 -0.122 0.000 2.727 414 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 414 N C 0.397 175.812 175.510 -0.159 0.000 1.048 414 N CA 1.615 54.552 53.050 -0.189 0.000 0.714 414 N CB -1.114 37.191 38.487 -0.304 0.000 0.959 414 N HN 0.952 nan 8.380 nan 0.000 0.544 415 K N -3.310 117.027 120.400 -0.105 0.000 3.281 415 K HA -0.253 4.067 4.320 -0.000 0.000 0.295 415 K C -0.280 176.280 176.600 -0.066 0.000 1.233 415 K CA 1.557 57.797 56.287 -0.078 0.000 0.866 415 K CB -1.778 30.677 32.500 -0.075 0.000 1.265 415 K HN 0.508 nan 8.250 nan 0.000 0.482 416 L N -5.011 116.171 121.223 -0.068 0.000 2.389 416 L HA 0.664 5.004 4.340 -0.000 0.000 0.249 416 L C -0.311 176.528 176.870 -0.053 0.000 1.083 416 L CA -0.806 54.001 54.840 -0.055 0.000 0.876 416 L CB 1.374 43.405 42.059 -0.046 0.000 1.489 416 L HN -0.148 nan 8.230 nan 0.000 0.412 417 T N 1.964 116.487 114.554 -0.052 0.000 2.788 417 T HA 0.634 4.984 4.350 -0.000 0.000 0.296 417 T C -0.147 174.515 174.700 -0.063 0.000 1.009 417 T CA -0.256 61.809 62.100 -0.057 0.000 0.949 417 T CB 0.338 69.169 68.868 -0.062 0.000 0.946 417 T HN 0.446 nan 8.240 nan 0.000 0.453 418 L N 3.733 124.924 121.223 -0.054 0.000 2.380 418 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 418 L C 0.493 177.309 176.870 -0.090 0.000 1.138 418 L CA -0.454 54.356 54.840 -0.050 0.000 0.832 418 L CB 0.476 42.521 42.059 -0.023 0.000 1.124 418 L HN 0.399 nan 8.230 nan 0.000 0.454 419 Q N 5.285 124.997 119.800 -0.147 0.000 2.401 419 Q HA 0.453 4.793 4.340 -0.000 0.000 0.260 419 Q C -0.952 174.988 176.000 -0.101 0.000 1.034 419 Q CA -0.085 55.546 55.803 -0.287 0.000 0.737 419 Q CB 2.304 30.569 28.738 -0.789 0.000 1.227 419 Q HN 0.630 nan 8.270 nan 0.000 0.488 420 M N 4.045 123.697 119.600 0.086 0.000 2.066 420 M HA 0.369 4.848 4.480 -0.000 0.000 0.340 420 M C -2.354 174.060 176.300 0.190 0.000 1.053 420 M CA -1.741 53.635 55.300 0.125 0.000 0.983 420 M CB 1.509 34.158 32.600 0.082 0.000 1.520 420 M HN 0.039 nan 8.290 nan 0.000 0.428 421 P HA 0.007 nan 4.420 nan 0.000 0.269 421 P C -0.812 176.431 177.300 -0.095 0.000 1.215 421 P CA 0.191 63.092 63.100 -0.331 0.000 0.780 421 P CB 0.214 31.331 31.700 -0.971 0.000 0.898 422 Y N -1.830 118.383 120.300 -0.146 0.000 2.728 422 Y HA 0.447 4.996 4.550 -0.000 0.000 0.256 422 Y C 0.191 176.106 175.900 0.025 0.000 1.112 422 Y CA -0.460 57.612 58.100 -0.047 0.000 1.240 422 Y CB -0.249 38.171 38.460 -0.068 0.000 1.337 422 Y HN 0.186 nan 8.280 nan 0.000 0.559 423 Q N 1.284 120.926 119.800 -0.263 0.000 2.194 423 Q HA 0.557 4.897 4.340 -0.000 0.000 0.245 423 Q C -0.438 175.690 176.000 0.213 0.000 0.993 423 Q CA -1.175 54.600 55.803 -0.047 0.000 0.930 423 Q CB 2.080 30.730 28.738 -0.147 0.000 1.238 423 Q HN 0.247 nan 8.270 nan 0.000 0.486 424 L N 0.940 122.261 121.223 0.163 0.000 2.483 424 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 424 L C -0.365 176.597 176.870 0.153 0.000 1.220 424 L CA 0.234 55.167 54.840 0.155 0.000 0.833 424 L CB -0.032 42.076 42.059 0.082 0.000 1.102 424 L HN 0.485 nan 8.230 nan 0.000 0.490 425 F N 3.800 123.670 119.950 -0.134 0.000 2.434 425 F HA 0.599 5.126 4.527 -0.000 0.000 0.355 425 F C -0.511 175.137 175.800 -0.253 0.000 1.115 425 F CA -0.525 57.232 58.000 -0.406 0.000 1.010 425 F CB 0.677 39.345 39.000 -0.553 0.000 1.234 425 F HN 0.136 nan 8.300 nan 0.000 0.439 426 I N 4.958 125.168 120.570 -0.600 0.000 2.534 426 I HA 0.392 4.562 4.170 -0.000 0.000 0.288 426 I C 0.616 176.401 176.117 -0.553 0.000 1.077 426 I CA -1.001 60.032 61.300 -0.445 0.000 1.051 426 I CB 2.039 39.909 38.000 -0.218 0.000 1.234 426 I HN 0.780 nan 8.210 nan 0.000 0.425 427 G N 4.135 112.645 108.800 -0.484 0.000 2.341 427 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.292 427 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.292 427 G C 0.968 175.583 174.900 -0.475 0.000 1.021 427 G CA 0.770 45.641 45.100 -0.381 0.000 0.905 427 G HN 1.653 nan 8.290 nan 0.000 0.508 428 G N -1.362 106.935 108.800 -0.838 0.000 2.157 428 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.248 428 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.248 428 G C 0.095 174.658 174.900 -0.562 0.000 0.979 428 G CA 1.218 45.916 45.100 -0.670 0.000 0.650 428 G HN 2.051 nan 8.290 nan 0.000 0.529 429 E N -0.673 119.092 120.200 -0.724 0.000 2.317 429 E HA 0.702 5.052 4.350 -0.000 0.000 0.270 429 E C -1.047 175.338 176.600 -0.360 0.000 0.885 429 E CA -1.429 54.764 56.400 -0.344 0.000 0.760 429 E CB 1.291 30.887 29.700 -0.174 0.000 1.227 429 E HN 0.046 nan 8.360 nan 0.000 0.434 430 F N 1.574 121.538 119.950 0.023 0.000 2.420 430 F HA 0.354 4.880 4.527 -0.000 0.000 0.352 430 F C 0.179 175.932 175.800 -0.078 0.000 1.108 430 F CA -0.329 57.678 58.000 0.011 0.000 1.162 430 F CB 1.653 40.619 39.000 -0.057 0.000 1.118 430 F HN 0.379 nan 8.300 nan 0.000 0.510 431 V N -0.097 119.864 119.914 0.079 0.000 2.971 431 V HA 0.534 4.654 4.120 -0.000 0.000 0.309 431 V C -0.711 175.399 176.094 0.027 0.000 1.130 431 V CA -1.190 61.122 62.300 0.019 0.000 0.964 431 V CB 1.745 33.555 31.823 -0.021 0.000 1.029 431 V HN 0.442 nan 8.190 nan 0.000 0.427 432 D N 2.119 122.534 120.400 0.024 0.000 2.378 432 D HA 0.544 5.183 4.640 -0.000 0.000 0.238 432 D C 0.653 176.982 176.300 0.048 0.000 1.180 432 D CA 0.847 54.876 54.000 0.047 0.000 0.895 432 D CB 1.541 42.373 40.800 0.053 0.000 1.192 432 D HN 1.150 nan 8.370 nan 0.000 0.438 433 A N 1.046 123.906 122.820 0.067 0.000 2.327 433 A HA 0.116 4.436 4.320 -0.000 0.000 0.255 433 A C 0.517 178.131 177.584 0.049 0.000 1.099 433 A CA -0.370 51.705 52.037 0.062 0.000 0.801 433 A CB 0.065 19.116 19.000 0.084 0.000 1.062 433 A HN 0.609 nan 8.150 nan 0.000 0.496 434 E N -0.295 119.930 120.200 0.042 0.000 2.529 434 E HA 0.267 4.617 4.350 -0.000 0.000 0.259 434 E C 1.232 177.855 176.600 0.038 0.000 0.966 434 E CA 1.124 57.545 56.400 0.034 0.000 0.937 434 E CB -0.111 29.607 29.700 0.030 0.000 0.923 434 E HN 1.488 nan 8.360 nan 0.000 0.468 435 G N 3.348 112.168 108.800 0.033 0.000 2.168 435 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.263 435 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.263 435 G C 0.524 175.448 174.900 0.041 0.000 0.977 435 G CA 0.448 45.568 45.100 0.034 0.000 0.659 435 G HN 0.881 nan 8.290 nan 0.000 0.533 436 S N -1.062 114.667 115.700 0.048 0.000 3.533 436 S HA -0.214 4.255 4.470 -0.000 0.000 0.347 436 S C 0.838 175.479 174.600 0.069 0.000 1.101 436 S CA 1.928 60.164 58.200 0.061 0.000 1.009 436 S CB -0.705 62.528 63.200 0.055 0.000 0.916 436 S HN 1.035 nan 8.310 nan 0.000 0.496 437 K N 1.690 122.133 120.400 0.072 0.000 2.382 437 K HA 0.355 4.675 4.320 -0.000 0.000 0.275 437 K C 0.844 177.513 176.600 0.115 0.000 1.009 437 K CA 0.624 56.961 56.287 0.083 0.000 0.970 437 K CB 0.474 33.021 32.500 0.079 0.000 0.934 437 K HN 0.519 nan 8.250 nan 0.000 0.479 438 T N -0.888 113.739 114.554 0.122 0.000 2.812 438 T HA 0.578 4.928 4.350 -0.000 0.000 0.294 438 T C -1.181 173.644 174.700 0.210 0.000 1.159 438 T CA -0.984 61.200 62.100 0.140 0.000 1.008 438 T CB 0.921 69.823 68.868 0.057 0.000 1.289 438 T HN 0.636 nan 8.240 nan 0.000 0.514 439 Y N -1.063 119.259 120.300 0.036 0.000 2.615 439 Y HA 0.765 5.315 4.550 -0.000 0.000 0.341 439 Y C -1.154 174.756 175.900 0.016 0.000 1.089 439 Y CA -1.424 56.688 58.100 0.020 0.000 1.049 439 Y CB 0.977 39.446 38.460 0.014 0.000 1.296 439 Y HN 0.551 nan 8.280 nan 0.000 0.470 440 N N 1.087 119.809 118.700 0.038 0.000 2.455 440 N HA 0.251 4.990 4.740 -0.000 0.000 0.280 440 N C -0.923 174.567 175.510 -0.033 0.000 1.055 440 N CA -0.307 52.706 53.050 -0.063 0.000 0.961 440 N CB 1.801 40.295 38.487 0.012 0.000 1.121 440 N HN 0.771 nan 8.380 nan 0.000 0.476 441 T N 2.440 116.918 114.554 -0.127 0.000 2.837 441 T HA 0.495 4.845 4.350 -0.000 0.000 0.285 441 T C -0.261 174.448 174.700 0.015 0.000 0.984 441 T CA -0.651 61.436 62.100 -0.021 0.000 1.049 441 T CB 0.204 69.041 68.868 -0.053 0.000 0.947 441 T HN 0.175 nan 8.240 nan 0.000 0.472 442 I N 4.948 125.553 120.570 0.059 0.000 2.441 442 I HA 0.347 4.517 4.170 -0.000 0.000 0.295 442 I C 0.413 176.587 176.117 0.096 0.000 0.994 442 I CA -1.136 60.218 61.300 0.090 0.000 1.144 442 I CB 1.432 39.523 38.000 0.151 0.000 1.314 442 I HN 0.622 nan 8.210 nan 0.000 0.445 443 N N 8.873 127.612 118.700 0.065 0.000 2.405 443 N HA 0.168 4.908 4.740 -0.000 0.000 0.260 443 N C -1.739 173.783 175.510 0.019 0.000 1.152 443 N CA -1.615 51.453 53.050 0.031 0.000 0.948 443 N CB 1.342 39.826 38.487 -0.005 0.000 1.111 443 N HN 0.310 nan 8.380 nan 0.000 0.485 444 P HA -0.008 nan 4.420 nan 0.000 0.237 444 P C 0.732 177.850 177.300 -0.303 0.000 1.178 444 P CA 0.712 63.806 63.100 -0.009 0.000 0.766 444 P CB 0.331 32.082 31.700 0.086 0.000 0.876 445 T N 0.549 114.997 114.554 -0.177 0.000 2.904 445 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 445 T C 0.960 175.634 174.700 -0.044 0.000 1.059 445 T CA 1.844 63.909 62.100 -0.058 0.000 1.137 445 T CB -0.315 68.569 68.868 0.027 0.000 0.879 445 T HN 0.355 nan 8.240 nan 0.000 0.467 446 D N -1.522 118.784 120.400 -0.156 0.000 2.516 446 D HA 0.246 4.885 4.640 -0.000 0.000 0.241 446 D C 1.268 177.442 176.300 -0.211 0.000 1.246 446 D CA 0.512 54.421 54.000 -0.152 0.000 0.808 446 D CB -0.499 40.259 40.800 -0.070 0.000 1.147 446 D HN 0.293 nan 8.370 nan 0.000 0.527 447 G N 0.800 109.417 108.800 -0.305 0.000 2.184 447 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.264 447 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.264 447 G C 0.488 175.405 174.900 0.030 0.000 0.975 447 G CA 0.652 45.680 45.100 -0.120 0.000 0.642 447 G HN 0.993 nan 8.290 nan 0.000 0.536 448 S N -0.851 114.843 115.700 -0.009 0.000 2.593 448 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 448 S C 0.423 175.035 174.600 0.020 0.000 1.334 448 S CA -0.194 58.009 58.200 0.005 0.000 1.015 448 S CB 2.203 65.395 63.200 -0.014 0.000 0.912 448 S HN 0.997 nan 8.310 nan 0.000 0.541 449 V N 3.441 123.361 119.914 0.010 0.000 2.455 449 V HA 0.139 4.259 4.120 -0.000 0.000 0.273 449 V C 1.257 177.338 176.094 -0.021 0.000 1.045 449 V CA -0.195 62.104 62.300 -0.002 0.000 0.976 449 V CB 0.009 31.825 31.823 -0.012 0.000 0.993 449 V HN 0.910 nan 8.190 nan 0.000 0.475 450 I N 4.163 124.719 120.570 -0.023 0.000 2.193 450 I HA -0.030 4.140 4.170 -0.000 0.000 0.240 450 I C 1.012 177.093 176.117 -0.061 0.000 1.084 450 I CA 1.367 62.647 61.300 -0.033 0.000 1.365 450 I CB 0.033 38.021 38.000 -0.020 0.000 1.064 450 I HN 0.865 nan 8.210 nan 0.000 0.410 451 C N -2.176 117.073 119.300 -0.086 0.000 3.216 451 C HA 0.505 4.965 4.460 -0.000 0.000 0.346 451 C C -1.277 173.610 174.990 -0.171 0.000 1.384 451 C CA -1.341 57.594 59.018 -0.139 0.000 1.208 451 C CB 0.878 28.521 27.740 -0.162 0.000 1.483 451 C HN 0.167 nan 8.230 nan 0.000 0.453 452 Q N 0.631 120.303 119.800 -0.214 0.000 2.261 452 Q HA 0.740 5.080 4.340 -0.000 0.000 0.252 452 Q C -0.395 175.491 176.000 -0.190 0.000 0.915 452 Q CA -0.183 55.494 55.803 -0.210 0.000 0.915 452 Q CB 1.514 30.159 28.738 -0.156 0.000 1.204 452 Q HN 0.657 nan 8.270 nan 0.000 0.421 453 V N 1.561 121.302 119.914 -0.287 0.000 2.680 453 V HA 0.393 4.512 4.120 -0.000 0.000 0.309 453 V C -0.308 175.755 176.094 -0.051 0.000 1.052 453 V CA -0.958 61.233 62.300 -0.182 0.000 0.908 453 V CB 2.281 33.832 31.823 -0.454 0.000 1.001 453 V HN 0.813 nan 8.190 nan 0.000 0.431 454 S N 3.628 119.410 115.700 0.137 0.000 2.558 454 S HA 0.219 4.689 4.470 -0.000 0.000 0.288 454 S C -0.269 174.488 174.600 0.261 0.000 1.318 454 S CA -0.028 58.277 58.200 0.176 0.000 1.056 454 S CB 0.259 63.549 63.200 0.149 0.000 0.853 454 S HN 0.533 nan 8.310 nan 0.000 0.505 455 L N 3.954 125.326 121.223 0.248 0.000 2.297 455 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 455 L C 0.254 177.206 176.870 0.136 0.000 1.040 455 L CA -0.263 54.725 54.840 0.247 0.000 0.867 455 L CB 0.072 42.267 42.059 0.227 0.000 1.244 455 L HN 0.724 nan 8.230 nan 0.000 0.433 456 A N 4.418 127.310 122.820 0.120 0.000 2.546 456 A HA 0.366 4.685 4.320 -0.000 0.000 0.243 456 A C 0.110 177.729 177.584 0.057 0.000 1.063 456 A CA 0.006 52.092 52.037 0.082 0.000 0.757 456 A CB 0.012 19.058 19.000 0.078 0.000 0.991 456 A HN 0.721 nan 8.150 nan 0.000 0.503 457 Q N 1.366 121.196 119.800 0.050 0.000 2.252 457 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 457 Q C 1.500 177.522 176.000 0.037 0.000 1.020 457 Q CA -0.787 55.038 55.803 0.038 0.000 0.913 457 Q CB 1.018 29.778 28.738 0.036 0.000 1.286 457 Q HN 0.433 nan 8.270 nan 0.000 0.480 458 V N 0.973 120.907 119.914 0.032 0.000 2.332 458 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 458 V C 2.245 178.365 176.094 0.042 0.000 1.055 458 V CA 2.582 64.904 62.300 0.037 0.000 1.038 458 V CB -0.904 30.936 31.823 0.028 0.000 0.651 458 V HN 0.894 nan 8.190 nan 0.000 0.450 459 S N -0.329 115.391 115.700 0.033 0.000 2.399 459 S HA -0.233 4.237 4.470 -0.000 0.000 0.231 459 S C 1.604 176.223 174.600 0.031 0.000 1.022 459 S CA 1.561 59.780 58.200 0.032 0.000 0.983 459 S CB -0.480 62.734 63.200 0.023 0.000 0.803 459 S HN 0.643 nan 8.310 nan 0.000 0.480 460 D N 1.551 121.969 120.400 0.031 0.000 2.123 460 D HA 0.001 4.641 4.640 -0.000 0.000 0.200 460 D C 2.196 178.510 176.300 0.024 0.000 0.976 460 D CA 1.037 55.051 54.000 0.024 0.000 0.831 460 D CB -0.414 40.406 40.800 0.032 0.000 0.974 460 D HN 0.359 nan 8.370 nan 0.000 0.469 461 V N 2.034 121.972 119.914 0.039 0.000 2.287 461 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 461 V C 1.948 178.070 176.094 0.046 0.000 1.053 461 V CA 1.782 64.108 62.300 0.043 0.000 1.027 461 V CB -0.458 31.406 31.823 0.067 0.000 0.646 461 V HN 0.038 nan 8.190 nan 0.000 0.447 462 D N 0.013 120.467 120.400 0.089 0.000 2.117 462 D HA -0.149 4.490 4.640 -0.000 0.000 0.197 462 D C 2.248 178.580 176.300 0.054 0.000 0.987 462 D CA 1.204 55.283 54.000 0.133 0.000 0.829 462 D CB -0.237 40.645 40.800 0.136 0.000 0.961 462 D HN 0.432 nan 8.370 nan 0.000 0.460 463 K N 0.545 120.958 120.400 0.021 0.000 2.057 463 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 463 K C 2.126 178.700 176.600 -0.044 0.000 1.049 463 K CA 1.161 57.441 56.287 -0.012 0.000 0.931 463 K CB -0.064 32.423 32.500 -0.021 0.000 0.714 463 K HN 0.033 nan 8.250 nan 0.000 0.440 464 A N 0.921 123.712 122.820 -0.048 0.000 1.873 464 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 464 A C 2.362 179.891 177.584 -0.092 0.000 1.186 464 A CA 1.358 53.351 52.037 -0.073 0.000 0.616 464 A CB -0.630 18.340 19.000 -0.049 0.000 0.823 464 A HN 0.066 nan 8.150 nan 0.000 0.442 465 V N -0.018 119.820 119.914 -0.126 0.000 2.343 465 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 465 V C 3.060 179.073 176.094 -0.134 0.000 1.051 465 V CA 1.930 64.098 62.300 -0.220 0.000 1.036 465 V CB -1.294 30.182 31.823 -0.578 0.000 0.654 465 V HN 0.612 nan 8.190 nan 0.000 0.451 466 A N 0.025 122.803 122.820 -0.070 0.000 1.908 466 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 466 A C 2.420 179.988 177.584 -0.027 0.000 1.181 466 A CA 2.208 54.233 52.037 -0.019 0.000 0.627 466 A CB -0.759 18.246 19.000 0.008 0.000 0.818 466 A HN 0.581 nan 8.150 nan 0.000 0.445 467 A N -0.244 122.543 122.820 -0.054 0.000 1.898 467 A HA 0.195 4.514 4.320 -0.000 0.000 0.216 467 A C 2.506 180.060 177.584 -0.051 0.000 1.181 467 A CA 2.007 54.003 52.037 -0.068 0.000 0.620 467 A CB -0.993 17.936 19.000 -0.119 0.000 0.819 467 A HN 1.052 nan 8.150 nan 0.000 0.442 468 A N -0.231 122.556 122.820 -0.055 0.000 1.933 468 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 468 A C 2.133 179.742 177.584 0.041 0.000 1.175 468 A CA 1.978 53.997 52.037 -0.029 0.000 0.628 468 A CB -0.436 18.529 19.000 -0.058 0.000 0.814 468 A HN 0.561 nan 8.150 nan 0.000 0.444 469 K N -0.361 120.056 120.400 0.028 0.000 2.026 469 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 469 K C 2.064 178.743 176.600 0.132 0.000 1.048 469 K CA 1.787 58.130 56.287 0.093 0.000 0.929 469 K CB -0.146 32.387 32.500 0.055 0.000 0.713 469 K HN 0.391 nan 8.250 nan 0.000 0.439 470 E N 0.638 120.880 120.200 0.070 0.000 2.077 470 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 470 E C 1.630 178.273 176.600 0.071 0.000 0.989 470 E CA 1.663 58.097 56.400 0.057 0.000 0.800 470 E CB -0.307 29.405 29.700 0.020 0.000 0.746 470 E HN 0.388 nan 8.360 nan 0.000 0.452 471 A N -0.236 122.628 122.820 0.073 0.000 1.933 471 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 471 A C 2.198 179.894 177.584 0.186 0.000 1.175 471 A CA 1.503 53.593 52.037 0.089 0.000 0.628 471 A CB -0.911 18.107 19.000 0.029 0.000 0.814 471 A HN 0.471 nan 8.150 nan 0.000 0.444 472 F N 0.635 120.632 119.950 0.078 0.000 2.128 472 F HA -0.026 4.501 4.527 -0.000 0.000 0.295 472 F C 2.189 178.048 175.800 0.099 0.000 1.100 472 F CA 1.935 60.012 58.000 0.129 0.000 1.260 472 F CB -0.191 38.872 39.000 0.104 0.000 1.009 472 F HN 0.329 nan 8.300 nan 0.000 0.476 473 E N -0.520 119.714 120.200 0.056 0.000 2.112 473 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 473 E C 1.123 177.680 176.600 -0.071 0.000 0.979 473 E CA 1.054 57.421 56.400 -0.055 0.000 0.814 473 E CB -0.013 29.733 29.700 0.077 0.000 0.762 473 E HN 0.423 nan 8.360 nan 0.000 0.460 474 N N -0.444 118.247 118.700 -0.015 0.000 2.211 474 N HA 0.063 4.803 4.740 -0.000 0.000 0.216 474 N C 0.506 176.018 175.510 0.003 0.000 1.240 474 N CA 0.247 53.291 53.050 -0.010 0.000 0.895 474 N CB 1.101 39.591 38.487 0.005 0.000 1.102 474 N HN -0.023 nan 8.380 nan 0.000 0.498 475 G N 0.807 109.624 108.800 0.028 0.000 2.580 475 G HA2 0.289 4.249 3.960 -0.000 0.000 0.278 475 G HA3 0.289 4.249 3.960 -0.000 0.000 0.278 475 G C 0.994 175.939 174.900 0.075 0.000 1.212 475 G CA -0.445 44.687 45.100 0.054 0.000 0.939 475 G HN 0.042 nan 8.290 nan 0.000 0.513 476 L N -0.322 120.960 121.223 0.098 0.000 2.127 476 L HA -0.040 4.299 4.340 -0.000 0.000 0.211 476 L C 2.218 179.187 176.870 0.166 0.000 1.089 476 L CA 1.493 56.398 54.840 0.107 0.000 0.757 476 L CB -0.486 41.641 42.059 0.113 0.000 0.899 476 L HN 0.767 nan 8.230 nan 0.000 0.434 477 W N -0.083 121.218 121.300 0.002 0.000 2.374 477 W HA -0.130 4.530 4.660 -0.000 0.000 0.288 477 W C 1.718 178.233 176.519 -0.007 0.000 1.218 477 W CA 1.115 58.473 57.345 0.021 0.000 1.245 477 W CB -0.140 29.356 29.460 0.059 0.000 1.126 477 W HN 0.378 nan 8.180 nan 0.000 0.545 478 G N 0.078 108.916 108.800 0.062 0.000 2.985 478 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.209 478 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.209 478 G C 1.386 176.200 174.900 -0.143 0.000 1.165 478 G CA 0.182 45.192 45.100 -0.150 0.000 0.776 478 G HN 0.211 nan 8.290 nan 0.000 0.541 479 K N -0.302 120.048 120.400 -0.084 0.000 2.365 479 K HA 0.261 4.581 4.320 -0.000 0.000 0.195 479 K C 1.138 177.694 176.600 -0.072 0.000 1.079 479 K CA -0.230 56.015 56.287 -0.069 0.000 0.979 479 K CB 0.401 32.881 32.500 -0.034 0.000 0.929 479 K HN 0.465 nan 8.250 nan 0.000 0.523 480 I N 0.405 120.923 120.570 -0.088 0.000 3.004 480 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 480 I C -0.197 175.852 176.117 -0.114 0.000 1.144 480 I CA -0.798 60.451 61.300 -0.086 0.000 1.353 480 I CB 0.339 38.291 38.000 -0.081 0.000 1.417 480 I HN -0.083 nan 8.210 nan 0.000 0.602 481 N N 2.586 121.239 118.700 -0.078 0.000 2.416 481 N HA 0.075 4.814 4.740 -0.000 0.000 0.246 481 N C 0.985 176.436 175.510 -0.099 0.000 1.260 481 N CA 0.490 53.499 53.050 -0.069 0.000 0.897 481 N CB 1.193 39.658 38.487 -0.036 0.000 1.110 481 N HN 0.852 nan 8.380 nan 0.000 0.439 482 A N 2.616 125.387 122.820 -0.081 0.000 1.917 482 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 482 A C 2.169 179.724 177.584 -0.048 0.000 1.182 482 A CA 1.684 53.673 52.037 -0.080 0.000 0.633 482 A CB -0.425 18.556 19.000 -0.031 0.000 0.819 482 A HN 0.775 nan 8.150 nan 0.000 0.448 483 R N -0.473 120.019 120.500 -0.015 0.000 2.105 483 R HA -0.169 4.170 4.340 -0.000 0.000 0.239 483 R C 1.228 177.545 176.300 0.030 0.000 1.135 483 R CA 1.907 58.020 56.100 0.021 0.000 0.967 483 R CB -0.249 30.065 30.300 0.022 0.000 0.861 483 R HN 0.501 nan 8.270 nan 0.000 0.442 484 D N -0.466 119.931 120.400 -0.005 0.000 2.194 484 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 484 D C 1.780 178.072 176.300 -0.013 0.000 0.964 484 D CA 0.609 54.613 54.000 0.007 0.000 0.846 484 D CB -0.220 40.578 40.800 -0.005 0.000 0.962 484 D HN 0.257 nan 8.370 nan 0.000 0.490 485 R N 0.951 121.375 120.500 -0.126 0.000 2.083 485 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 485 R C 2.239 178.523 176.300 -0.026 0.000 1.137 485 R CA 1.758 57.712 56.100 -0.244 0.000 0.951 485 R CB -0.561 29.429 30.300 -0.517 0.000 0.851 485 R HN 0.162 nan 8.270 nan 0.000 0.434 486 G N 1.120 109.921 108.800 0.001 0.000 2.446 486 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 486 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 486 G C 1.450 176.442 174.900 0.154 0.000 1.168 486 G CA 0.413 45.528 45.100 0.026 0.000 0.771 486 G HN 0.236 nan 8.290 nan 0.000 0.551 487 R N 0.027 120.668 120.500 0.235 0.000 2.091 487 R HA 0.034 4.374 4.340 -0.000 0.000 0.238 487 R C 2.685 179.139 176.300 0.256 0.000 1.136 487 R CA 0.769 57.049 56.100 0.299 0.000 0.959 487 R CB -0.910 29.491 30.300 0.168 0.000 0.856 487 R HN 0.415 nan 8.270 nan 0.000 0.437 488 L N 0.398 121.745 121.223 0.207 0.000 2.093 488 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 488 L C 2.450 179.457 176.870 0.228 0.000 1.085 488 L CA 0.955 55.930 54.840 0.224 0.000 0.755 488 L CB -0.375 41.871 42.059 0.312 0.000 0.904 488 L HN 0.126 nan 8.230 nan 0.000 0.435 489 L N -1.909 119.459 121.223 0.242 0.000 2.093 489 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 489 L C 2.488 179.478 176.870 0.200 0.000 1.085 489 L CA 1.303 56.290 54.840 0.245 0.000 0.755 489 L CB -0.595 41.634 42.059 0.283 0.000 0.904 489 L HN 0.178 nan 8.230 nan 0.000 0.435 490 Y N -0.143 120.270 120.300 0.189 0.000 2.145 490 Y HA -0.292 4.258 4.550 -0.000 0.000 0.286 490 Y C 2.971 178.937 175.900 0.109 0.000 1.145 490 Y CA 1.260 59.448 58.100 0.146 0.000 1.148 490 Y CB -0.175 38.346 38.460 0.102 0.000 0.981 490 Y HN 0.062 nan 8.280 nan 0.000 0.507 491 R N 0.308 120.967 120.500 0.264 0.000 2.091 491 R HA -0.223 4.116 4.340 -0.000 0.000 0.238 491 R C 2.195 178.549 176.300 0.090 0.000 1.136 491 R CA 1.615 57.806 56.100 0.151 0.000 0.959 491 R CB -0.578 29.794 30.300 0.121 0.000 0.856 491 R HN 0.334 nan 8.270 nan 0.000 0.437 492 L N 0.829 122.084 121.223 0.054 0.000 2.012 492 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 492 L C 2.284 179.116 176.870 -0.063 0.000 1.073 492 L CA 2.232 57.024 54.840 -0.081 0.000 0.748 492 L CB -0.822 41.115 42.059 -0.203 0.000 0.891 492 L HN 0.258 nan 8.230 nan 0.000 0.431 493 A N -0.870 121.984 122.820 0.057 0.000 1.908 493 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 493 A C 2.003 179.668 177.584 0.136 0.000 1.181 493 A CA 1.946 54.072 52.037 0.149 0.000 0.627 493 A CB -0.874 18.297 19.000 0.284 0.000 0.818 493 A HN 0.544 nan 8.150 nan 0.000 0.445 494 D N -0.291 120.189 120.400 0.133 0.000 2.117 494 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 494 D C 2.084 178.447 176.300 0.105 0.000 0.987 494 D CA 1.472 55.540 54.000 0.113 0.000 0.829 494 D CB -0.492 40.368 40.800 0.101 0.000 0.961 494 D HN 0.224 nan 8.370 nan 0.000 0.460 495 V N 0.941 120.906 119.914 0.086 0.000 2.343 495 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 495 V C 2.515 178.707 176.094 0.164 0.000 1.051 495 V CA 1.424 63.791 62.300 0.112 0.000 1.036 495 V CB -0.454 31.376 31.823 0.011 0.000 0.654 495 V HN 0.199 nan 8.190 nan 0.000 0.451 496 M N -0.364 119.286 119.600 0.082 0.000 2.108 496 M HA -0.248 4.232 4.480 -0.000 0.000 0.261 496 M C 2.275 178.673 176.300 0.164 0.000 1.066 496 M CA 2.199 57.569 55.300 0.117 0.000 1.107 496 M CB -0.536 32.131 32.600 0.111 0.000 1.356 496 M HN 0.390 nan 8.290 nan 0.000 0.406 497 E N 0.455 120.741 120.200 0.143 0.000 2.077 497 E HA -0.244 4.105 4.350 -0.000 0.000 0.193 497 E C 1.939 178.602 176.600 0.105 0.000 0.989 497 E CA 1.323 57.796 56.400 0.122 0.000 0.800 497 E CB 0.037 29.801 29.700 0.108 0.000 0.746 497 E HN 0.547 nan 8.360 nan 0.000 0.452 498 Q N -0.897 118.971 119.800 0.113 0.000 2.291 498 Q HA -0.154 4.185 4.340 -0.000 0.000 0.206 498 Q C 0.730 176.684 176.000 -0.076 0.000 0.976 498 Q CA 1.259 57.079 55.803 0.029 0.000 0.875 498 Q CB 0.036 28.793 28.738 0.032 0.000 0.927 498 Q HN 0.414 nan 8.270 nan 0.000 0.450 499 H N -0.748 118.344 119.070 0.037 0.000 2.486 499 H HA 0.055 4.610 4.556 -0.000 0.000 0.284 499 H C 1.314 176.677 175.328 0.058 0.000 1.103 499 H CA -0.091 55.980 56.048 0.037 0.000 1.089 499 H CB 0.325 30.104 29.762 0.027 0.000 1.603 499 H HN 0.308 nan 8.280 nan 0.000 0.557 500 Q N 0.408 120.293 119.800 0.141 0.000 2.084 500 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 500 Q C 0.848 176.925 176.000 0.128 0.000 0.978 500 Q CA 1.732 57.610 55.803 0.124 0.000 0.844 500 Q CB 0.046 28.841 28.738 0.094 0.000 0.898 500 Q HN 0.340 nan 8.270 nan 0.000 0.426 501 E N 1.445 121.727 120.200 0.138 0.000 2.072 501 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 501 E C 1.843 178.573 176.600 0.217 0.000 0.985 501 E CA 1.418 57.953 56.400 0.224 0.000 0.801 501 E CB -0.085 29.725 29.700 0.184 0.000 0.750 501 E HN 0.569 nan 8.360 nan 0.000 0.452 502 E N 0.569 120.852 120.200 0.139 0.000 2.058 502 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 502 E C 1.946 178.626 176.600 0.133 0.000 0.997 502 E CA 1.016 57.487 56.400 0.119 0.000 0.801 502 E CB -0.098 29.673 29.700 0.118 0.000 0.746 502 E HN 0.199 nan 8.360 nan 0.000 0.450 503 L N 0.278 121.589 121.223 0.148 0.000 2.046 503 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 503 L C 2.652 179.595 176.870 0.121 0.000 1.077 503 L CA 1.155 56.073 54.840 0.131 0.000 0.747 503 L CB -0.449 41.694 42.059 0.139 0.000 0.896 503 L HN 0.235 nan 8.230 nan 0.000 0.432 504 A N -0.740 122.160 122.820 0.132 0.000 1.969 504 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 504 A C 2.344 180.061 177.584 0.222 0.000 1.169 504 A CA 2.096 54.189 52.037 0.093 0.000 0.635 504 A CB -0.744 18.204 19.000 -0.085 0.000 0.810 504 A HN 0.383 nan 8.150 nan 0.000 0.445 505 T N 0.357 115.084 114.554 0.289 0.000 2.777 505 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 505 T C 1.776 176.531 174.700 0.091 0.000 1.040 505 T CA 1.408 63.617 62.100 0.182 0.000 1.141 505 T CB -0.383 68.524 68.868 0.065 0.000 0.868 505 T HN 0.437 nan 8.240 nan 0.000 0.444 506 I N 0.882 121.501 120.570 0.082 0.000 2.208 506 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 506 I C 2.693 178.840 176.117 0.051 0.000 1.097 506 I CA 1.292 62.627 61.300 0.059 0.000 1.363 506 I CB -0.303 37.737 38.000 0.067 0.000 1.051 506 I HN 0.194 nan 8.210 nan 0.000 0.413 507 E N 1.065 121.295 120.200 0.049 0.000 2.106 507 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 507 E C 2.164 178.745 176.600 -0.031 0.000 0.984 507 E CA 1.373 57.779 56.400 0.010 0.000 0.806 507 E CB -0.100 29.583 29.700 -0.029 0.000 0.750 507 E HN 0.443 nan 8.360 nan 0.000 0.458 508 A N 0.245 123.060 122.820 -0.008 0.000 1.877 508 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 508 A C 2.204 179.783 177.584 -0.008 0.000 1.186 508 A CA 1.289 53.321 52.037 -0.009 0.000 0.620 508 A CB -0.685 18.354 19.000 0.064 0.000 0.822 508 A HN 0.303 nan 8.150 nan 0.000 0.443 509 L N -0.988 120.240 121.223 0.008 0.000 2.056 509 L HA -0.159 4.180 4.340 -0.000 0.000 0.207 509 L C 2.301 179.176 176.870 0.010 0.000 1.078 509 L CA 1.755 56.597 54.840 0.003 0.000 0.749 509 L CB -0.418 41.645 42.059 0.006 0.000 0.901 509 L HN 0.352 nan 8.230 nan 0.000 0.433 510 D N -0.757 119.657 120.400 0.023 0.000 2.240 510 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 510 D C 1.711 178.040 176.300 0.048 0.000 0.963 510 D CA 1.055 55.078 54.000 0.040 0.000 0.863 510 D CB 0.381 41.214 40.800 0.054 0.000 0.973 510 D HN 0.207 nan 8.370 nan 0.000 0.501 511 A N -1.315 121.525 122.820 0.035 0.000 2.419 511 A HA 0.551 4.871 4.320 -0.000 0.000 0.233 511 A C 1.634 179.216 177.584 -0.003 0.000 1.217 511 A CA 0.722 52.790 52.037 0.050 0.000 0.944 511 A CB 0.234 19.284 19.000 0.084 0.000 1.025 511 A HN 0.263 nan 8.150 nan 0.000 0.524 512 G N -0.855 107.917 108.800 -0.047 0.000 2.148 512 G HA2 0.070 4.030 3.960 -0.000 0.000 0.254 512 G HA3 0.070 4.030 3.960 -0.000 0.000 0.254 512 G C 0.489 175.311 174.900 -0.131 0.000 0.981 512 G CA 0.331 45.366 45.100 -0.108 0.000 0.670 512 G HN 1.673 nan 8.290 nan 0.000 0.528 513 A N 0.110 122.841 122.820 -0.148 0.000 2.524 513 A HA 0.572 4.892 4.320 -0.000 0.000 0.250 513 A C 1.015 178.502 177.584 -0.162 0.000 1.078 513 A CA 0.400 52.290 52.037 -0.245 0.000 0.761 513 A CB 0.572 19.226 19.000 -0.577 0.000 1.012 513 A HN 1.279 nan 8.150 nan 0.000 0.500 514 V N 4.396 124.233 119.914 -0.129 0.000 2.557 514 V HA -0.150 3.970 4.120 -0.000 0.000 0.301 514 V C 1.369 177.447 176.094 -0.027 0.000 1.026 514 V CA 0.828 63.101 62.300 -0.044 0.000 1.137 514 V CB -0.503 31.299 31.823 -0.035 0.000 0.917 514 V HN 0.990 nan 8.190 nan 0.000 0.484 515 Y N 4.880 125.142 120.300 -0.063 0.000 2.128 515 Y HA -0.304 4.245 4.550 -0.000 0.000 0.284 515 Y C 2.599 178.486 175.900 -0.021 0.000 1.154 515 Y CA 2.489 60.560 58.100 -0.049 0.000 1.149 515 Y CB -0.361 38.083 38.460 -0.027 0.000 0.976 515 Y HN 0.847 nan 8.280 nan 0.000 0.505 516 T N -1.046 113.474 114.554 -0.056 0.000 2.759 516 T HA -0.280 4.069 4.350 -0.000 0.000 0.269 516 T C 1.975 176.607 174.700 -0.114 0.000 1.042 516 T CA 1.648 63.681 62.100 -0.112 0.000 1.140 516 T CB -1.034 67.851 68.868 0.029 0.000 0.864 516 T HN 0.506 nan 8.240 nan 0.000 0.455 517 L N 0.788 121.970 121.223 -0.068 0.000 2.072 517 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 517 L C 2.985 179.865 176.870 0.018 0.000 1.079 517 L CA 1.338 56.174 54.840 -0.006 0.000 0.752 517 L CB -0.737 41.294 42.059 -0.047 0.000 0.906 517 L HN 0.359 nan 8.230 nan 0.000 0.436 518 A N -0.244 122.490 122.820 -0.144 0.000 1.940 518 A HA -0.240 4.079 4.320 -0.000 0.000 0.219 518 A C 2.156 179.681 177.584 -0.098 0.000 1.176 518 A CA 1.912 53.837 52.037 -0.186 0.000 0.631 518 A CB -0.834 17.966 19.000 -0.334 0.000 0.814 518 A HN 0.461 nan 8.150 nan 0.000 0.446 519 L N -0.187 120.870 121.223 -0.276 0.000 2.017 519 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 519 L C 2.364 179.203 176.870 -0.051 0.000 1.073 519 L CA 2.621 57.322 54.840 -0.232 0.000 0.745 519 L CB -0.447 41.360 42.059 -0.420 0.000 0.894 519 L HN 0.487 nan 8.230 nan 0.000 0.432 520 K N -2.210 118.182 120.400 -0.014 0.000 2.076 520 K HA -0.085 4.234 4.320 -0.000 0.000 0.204 520 K C 1.557 178.220 176.600 0.106 0.000 1.051 520 K CA 1.692 58.012 56.287 0.054 0.000 0.949 520 K CB 0.041 32.582 32.500 0.069 0.000 0.726 520 K HN 0.351 nan 8.250 nan 0.000 0.443 521 T N -0.623 114.030 114.554 0.166 0.000 3.252 521 T HA 0.039 4.388 4.350 -0.000 0.000 0.233 521 T C 1.429 176.228 174.700 0.165 0.000 0.975 521 T CA 0.590 62.806 62.100 0.192 0.000 1.318 521 T CB -0.516 68.548 68.868 0.326 0.000 1.014 521 T HN 0.227 nan 8.240 nan 0.000 0.418 522 H N 0.763 119.887 119.070 0.091 0.000 2.319 522 H HA -0.037 4.518 4.556 -0.000 0.000 0.297 522 H C 2.159 177.520 175.328 0.055 0.000 1.097 522 H CA 1.639 57.734 56.048 0.078 0.000 1.285 522 H CB -0.649 29.169 29.762 0.094 0.000 1.368 522 H HN 0.104 nan 8.280 nan 0.000 0.495 523 V N -0.732 119.299 119.914 0.194 0.000 2.492 523 V HA 0.025 4.144 4.120 -0.000 0.000 0.241 523 V C 2.644 178.821 176.094 0.137 0.000 1.041 523 V CA 1.321 63.708 62.300 0.145 0.000 1.057 523 V CB -0.924 30.962 31.823 0.106 0.000 0.711 523 V HN 0.603 nan 8.190 nan 0.000 0.468 524 G N -0.288 108.580 108.800 0.113 0.000 2.491 524 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.218 524 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.218 524 G C 1.671 176.646 174.900 0.124 0.000 1.180 524 G CA 1.459 46.623 45.100 0.106 0.000 0.774 524 G HN 0.393 nan 8.290 nan 0.000 0.562 525 M N 0.684 120.356 119.600 0.120 0.000 2.229 525 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 525 M C 2.687 179.101 176.300 0.189 0.000 1.063 525 M CA 1.344 56.724 55.300 0.134 0.000 1.114 525 M CB -0.005 32.671 32.600 0.127 0.000 1.387 525 M HN 0.246 nan 8.290 nan 0.000 0.420 526 S N 0.947 116.762 115.700 0.193 0.000 2.368 526 S HA -0.127 4.342 4.470 -0.000 0.000 0.225 526 S C 1.662 176.485 174.600 0.371 0.000 1.030 526 S CA 1.376 59.736 58.200 0.267 0.000 0.999 526 S CB -0.423 62.918 63.200 0.235 0.000 0.844 526 S HN 0.496 nan 8.310 nan 0.000 0.459 527 I N 1.557 122.302 120.570 0.292 0.000 2.202 527 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 527 I C 2.702 178.989 176.117 0.284 0.000 1.091 527 I CA 1.155 62.634 61.300 0.297 0.000 1.368 527 I CB -0.405 37.719 38.000 0.207 0.000 1.058 527 I HN 0.312 nan 8.210 nan 0.000 0.410 528 Q N 0.061 119.985 119.800 0.208 0.000 2.135 528 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 528 Q C 2.237 178.347 176.000 0.182 0.000 0.981 528 Q CA 2.159 58.061 55.803 0.165 0.000 0.856 528 Q CB -0.311 28.482 28.738 0.092 0.000 0.902 528 Q HN 0.527 nan 8.270 nan 0.000 0.425 529 T N 0.564 115.235 114.554 0.195 0.000 2.674 529 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 529 T C 1.452 176.280 174.700 0.213 0.000 1.039 529 T CA 1.230 63.434 62.100 0.172 0.000 1.150 529 T CB -0.392 68.568 68.868 0.153 0.000 0.864 529 T HN 0.188 nan 8.240 nan 0.000 0.427 530 F N 1.388 121.503 119.950 0.275 0.000 2.134 530 F HA -0.036 4.490 4.527 -0.000 0.000 0.299 530 F C 2.671 178.562 175.800 0.151 0.000 1.097 530 F CA 1.113 59.257 58.000 0.240 0.000 1.264 530 F CB -0.253 38.877 39.000 0.217 0.000 1.001 530 F HN -0.026 nan 8.300 nan 0.000 0.479 531 R N -1.235 119.457 120.500 0.320 0.000 2.075 531 R HA -0.208 4.132 4.340 -0.000 0.000 0.232 531 R C 2.102 178.460 176.300 0.097 0.000 1.126 531 R CA 1.680 57.915 56.100 0.225 0.000 0.963 531 R CB -0.837 29.645 30.300 0.304 0.000 0.858 531 R HN 0.326 nan 8.270 nan 0.000 0.435 532 Y N 0.606 120.890 120.300 -0.026 0.000 2.089 532 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 532 Y C 1.802 177.567 175.900 -0.225 0.000 1.139 532 Y CA 1.622 59.606 58.100 -0.193 0.000 1.123 532 Y CB -0.377 37.889 38.460 -0.324 0.000 0.980 532 Y HN -0.118 nan 8.280 nan 0.000 0.493 533 F N -0.019 119.964 119.950 0.055 0.000 2.293 533 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 533 F C 2.555 178.311 175.800 -0.074 0.000 1.086 533 F CA 0.973 58.992 58.000 0.032 0.000 1.375 533 F CB -1.142 37.899 39.000 0.067 0.000 1.045 533 F HN 0.172 nan 8.300 nan 0.000 0.516 534 A N 0.369 123.145 122.820 -0.073 0.000 1.917 534 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 534 A C 2.588 179.920 177.584 -0.419 0.000 1.182 534 A CA 1.907 53.696 52.037 -0.413 0.000 0.633 534 A CB -1.587 16.718 19.000 -1.159 0.000 0.819 534 A HN 0.400 nan 8.150 nan 0.000 0.448 535 G N -2.427 106.146 108.800 -0.378 0.000 2.471 535 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.219 535 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.219 535 G C 1.336 176.078 174.900 -0.262 0.000 1.125 535 G CA 0.703 45.670 45.100 -0.221 0.000 0.775 535 G HN 0.692 nan 8.290 nan 0.000 0.548 536 W N -0.049 121.128 121.300 -0.206 0.000 2.467 536 W HA 0.012 4.672 4.660 -0.000 0.000 0.275 536 W C 2.577 179.070 176.519 -0.044 0.000 1.239 536 W CA -0.006 57.263 57.345 -0.127 0.000 1.266 536 W CB -0.140 29.271 29.460 -0.082 0.000 1.112 536 W HN 0.151 nan 8.180 nan 0.000 0.576 537 C N 0.749 120.157 119.300 0.181 0.000 2.393 537 C HA -0.249 4.211 4.460 -0.000 0.000 0.276 537 C C 1.958 177.007 174.990 0.098 0.000 1.215 537 C CA 1.868 60.956 59.018 0.115 0.000 1.743 537 C CB -1.282 26.481 27.740 0.038 0.000 2.044 537 C HN 0.464 nan 8.230 nan 0.000 0.464 538 D N -0.234 120.214 120.400 0.080 0.000 2.336 538 D HA 0.011 4.650 4.640 -0.000 0.000 0.228 538 D C 0.981 177.332 176.300 0.085 0.000 1.120 538 D CA 0.361 54.399 54.000 0.063 0.000 0.839 538 D CB -0.595 40.227 40.800 0.038 0.000 0.932 538 D HN 0.470 nan 8.370 nan 0.000 0.509 539 K N -0.127 120.368 120.400 0.159 0.000 2.438 539 K HA 0.297 4.617 4.320 -0.000 0.000 0.206 539 K C 0.220 177.025 176.600 0.343 0.000 1.081 539 K CA -0.331 56.089 56.287 0.221 0.000 1.053 539 K CB 1.229 33.811 32.500 0.136 0.000 0.908 539 K HN 0.112 nan 8.250 nan 0.000 0.556 540 I N 2.705 123.424 120.570 0.249 0.000 2.436 540 I HA 0.015 4.185 4.170 -0.000 0.000 0.289 540 I C -0.181 175.990 176.117 0.091 0.000 1.083 540 I CA 0.312 61.692 61.300 0.133 0.000 1.372 540 I CB 0.519 38.568 38.000 0.081 0.000 1.408 540 I HN 0.039 nan 8.210 nan 0.000 0.516 541 Q N 4.269 124.113 119.800 0.074 0.000 2.375 541 Q HA 0.518 4.858 4.340 -0.000 0.000 0.271 541 Q C 0.180 176.204 176.000 0.040 0.000 1.074 541 Q CA -0.706 55.133 55.803 0.060 0.000 0.808 541 Q CB 2.619 31.401 28.738 0.072 0.000 1.327 541 Q HN 0.766 nan 8.270 nan 0.000 0.441 542 G N 0.591 109.413 108.800 0.037 0.000 2.531 542 G HA2 0.734 4.694 3.960 -0.000 0.000 0.253 542 G HA3 0.734 4.694 3.960 -0.000 0.000 0.253 542 G C -1.014 173.906 174.900 0.033 0.000 1.439 542 G CA -0.121 44.998 45.100 0.032 0.000 1.056 542 G HN 0.631 nan 8.290 nan 0.000 0.555 543 A N -1.382 121.458 122.820 0.034 0.000 2.479 543 A HA 0.822 5.141 4.320 -0.000 0.000 0.296 543 A C -0.164 177.443 177.584 0.038 0.000 1.121 543 A CA -0.064 51.992 52.037 0.032 0.000 0.743 543 A CB 1.532 20.549 19.000 0.028 0.000 1.323 543 A HN 1.413 nan 8.150 nan 0.000 0.415 544 T N -0.774 113.800 114.554 0.034 0.000 2.807 544 T HA 0.746 5.096 4.350 -0.000 0.000 0.279 544 T C -0.632 174.089 174.700 0.035 0.000 0.993 544 T CA -0.309 61.813 62.100 0.038 0.000 0.970 544 T CB 0.578 69.462 68.868 0.026 0.000 0.950 544 T HN 0.464 nan 8.240 nan 0.000 0.441 545 I N 4.244 124.840 120.570 0.043 0.000 2.466 545 I HA 0.373 4.542 4.170 -0.000 0.000 0.289 545 I C -2.159 173.981 176.117 0.039 0.000 1.026 545 I CA -2.773 58.549 61.300 0.037 0.000 1.078 545 I CB 2.969 40.992 38.000 0.037 0.000 1.249 545 I HN 0.495 nan 8.210 nan 0.000 0.429 546 P HA 0.129 nan 4.420 nan 0.000 0.225 546 P C -0.209 177.105 177.300 0.024 0.000 1.813 546 P CA -0.202 62.914 63.100 0.027 0.000 1.013 546 P CB -0.460 31.252 31.700 0.019 0.000 1.961 547 I N -1.062 119.526 120.570 0.031 0.000 3.004 547 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 547 I C 0.197 176.324 176.117 0.016 0.000 1.144 547 I CA -0.470 60.845 61.300 0.025 0.000 1.353 547 I CB -0.450 37.571 38.000 0.035 0.000 1.417 547 I HN -0.075 nan 8.210 nan 0.000 0.602 548 N N 3.251 121.957 118.700 0.009 0.000 2.454 548 N HA 0.045 4.784 4.740 -0.000 0.000 0.254 548 N C -0.178 175.330 175.510 -0.004 0.000 1.228 548 N CA -0.022 53.029 53.050 0.001 0.000 0.900 548 N CB 0.319 38.805 38.487 -0.001 0.000 1.089 548 N HN 0.477 nan 8.380 nan 0.000 0.449 549 Q N 0.564 120.354 119.800 -0.016 0.000 2.241 549 Q HA 0.386 4.726 4.340 -0.000 0.000 0.254 549 Q C -0.418 175.561 176.000 -0.036 0.000 0.917 549 Q CA -0.565 55.218 55.803 -0.034 0.000 0.919 549 Q CB 1.378 30.085 28.738 -0.051 0.000 1.237 549 Q HN 0.598 nan 8.270 nan 0.000 0.434 550 A N 4.289 127.083 122.820 -0.042 0.000 3.063 550 A HA 0.102 4.422 4.320 -0.000 0.000 0.263 550 A C 0.200 177.756 177.584 -0.047 0.000 1.736 550 A CA -0.363 51.653 52.037 -0.035 0.000 1.408 550 A CB -0.258 18.726 19.000 -0.027 0.000 1.108 550 A HN 0.344 nan 8.150 nan 0.000 0.621 551 R N 1.561 122.035 120.500 -0.044 0.000 2.640 551 R HA 0.088 4.427 4.340 -0.000 0.000 0.270 551 R C -1.447 174.832 176.300 -0.035 0.000 1.024 551 R CA -1.446 54.627 56.100 -0.045 0.000 1.085 551 R CB -0.064 30.215 30.300 -0.036 0.000 0.963 551 R HN 0.456 nan 8.270 nan 0.000 0.426 552 P HA 0.018 nan 4.420 nan 0.000 0.245 552 P C -0.456 176.804 177.300 -0.066 0.000 1.212 552 P CA 0.279 63.353 63.100 -0.043 0.000 0.774 552 P CB 0.445 32.127 31.700 -0.030 0.000 0.999 553 N N 0.983 119.635 118.700 -0.080 0.000 2.448 553 N HA 0.296 5.036 4.740 -0.000 0.000 0.274 553 N C 0.353 175.738 175.510 -0.208 0.000 1.239 553 N CA -0.378 52.594 53.050 -0.130 0.000 0.982 553 N CB 1.144 39.573 38.487 -0.096 0.000 1.199 553 N HN -0.009 nan 8.380 nan 0.000 0.576 554 R N -0.042 120.219 120.500 -0.397 0.000 2.854 554 R HA 0.464 4.804 4.340 -0.000 0.000 0.271 554 R C -0.842 175.160 176.300 -0.496 0.000 0.996 554 R CA -0.681 55.084 56.100 -0.559 0.000 0.961 554 R CB 1.250 30.924 30.300 -1.044 0.000 1.182 554 R HN 0.592 nan 8.270 nan 0.000 0.479 555 N N 0.344 118.911 118.700 -0.222 0.000 2.229 555 N HA 0.444 5.184 4.740 -0.000 0.000 0.298 555 N C -1.868 173.778 175.510 0.226 0.000 1.114 555 N CA -0.736 52.348 53.050 0.056 0.000 0.776 555 N CB 2.073 40.594 38.487 0.056 0.000 1.501 555 N HN 0.192 nan 8.380 nan 0.000 0.474 556 L N 0.845 122.283 121.223 0.359 0.000 2.381 556 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 556 L C -1.187 175.857 176.870 0.291 0.000 0.988 556 L CA 0.002 54.994 54.840 0.253 0.000 0.824 556 L CB 1.874 43.968 42.059 0.058 0.000 1.263 556 L HN 0.524 nan 8.230 nan 0.000 0.410 557 T N 6.351 121.018 114.554 0.188 0.000 2.812 557 T HA 0.748 5.098 4.350 -0.000 0.000 0.282 557 T C -0.828 173.955 174.700 0.139 0.000 0.990 557 T CA -0.329 61.876 62.100 0.175 0.000 0.960 557 T CB 1.186 70.119 68.868 0.109 0.000 0.948 557 T HN 0.636 nan 8.240 nan 0.000 0.438 558 L N 0.809 122.126 121.223 0.157 0.000 2.327 558 L HA 1.016 5.356 4.340 -0.000 0.000 0.258 558 L C -0.069 176.852 176.870 0.086 0.000 1.024 558 L CA -0.906 54.002 54.840 0.113 0.000 0.825 558 L CB 1.460 43.598 42.059 0.131 0.000 1.386 558 L HN 0.602 nan 8.230 nan 0.000 0.417 559 T N -1.432 113.159 114.554 0.062 0.000 2.887 559 T HA 0.736 5.086 4.350 -0.000 0.000 0.288 559 T C -0.609 174.118 174.700 0.045 0.000 1.021 559 T CA -0.727 61.400 62.100 0.046 0.000 1.000 559 T CB 1.706 70.593 68.868 0.032 0.000 1.034 559 T HN 0.805 nan 8.240 nan 0.000 0.467 560 K N 2.130 122.553 120.400 0.039 0.000 2.413 560 K HA 0.370 4.690 4.320 -0.000 0.000 0.257 560 K C -0.875 175.745 176.600 0.033 0.000 0.946 560 K CA -0.648 55.662 56.287 0.038 0.000 0.823 560 K CB 1.319 33.842 32.500 0.039 0.000 1.109 560 K HN 0.720 nan 8.250 nan 0.000 0.427 561 K N 3.280 123.700 120.400 0.033 0.000 2.312 561 K HA 0.192 4.512 4.320 -0.000 0.000 0.287 561 K C -0.329 176.297 176.600 0.044 0.000 1.062 561 K CA -0.051 56.256 56.287 0.032 0.000 0.934 561 K CB 0.876 33.391 32.500 0.025 0.000 1.027 561 K HN 0.529 nan 8.250 nan 0.000 0.478 562 E N 3.211 123.445 120.200 0.056 0.000 2.336 562 E HA 0.329 4.678 4.350 -0.000 0.000 0.267 562 E C -2.570 174.098 176.600 0.112 0.000 0.906 562 E CA -2.456 53.993 56.400 0.083 0.000 0.781 562 E CB 1.859 31.610 29.700 0.086 0.000 1.261 562 E HN 0.275 nan 8.360 nan 0.000 0.436 563 P HA -0.071 nan 4.420 nan 0.000 0.272 563 P C 0.853 178.236 177.300 0.138 0.000 1.223 563 P CA -0.126 63.093 63.100 0.199 0.000 0.784 563 P CB 0.578 32.513 31.700 0.392 0.000 0.923 564 V N -0.593 119.352 119.914 0.051 0.000 2.591 564 V HA 0.271 4.391 4.120 -0.000 0.000 0.249 564 V C 1.048 177.042 176.094 -0.166 0.000 1.053 564 V CA 1.588 63.879 62.300 -0.016 0.000 1.068 564 V CB -1.596 30.224 31.823 -0.005 0.000 0.689 564 V HN 0.860 nan 8.190 nan 0.000 0.462 565 G N -0.350 108.172 108.800 -0.464 0.000 2.358 565 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.198 565 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.198 565 G C -0.565 173.918 174.900 -0.695 0.000 1.220 565 G CA -0.376 44.051 45.100 -1.121 0.000 1.187 565 G HN 0.757 nan 8.290 nan 0.000 0.544 566 V N 0.837 120.484 119.914 -0.445 0.000 2.521 566 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 566 V C 0.729 176.753 176.094 -0.116 0.000 1.034 566 V CA 0.039 62.208 62.300 -0.219 0.000 1.045 566 V CB 0.199 31.936 31.823 -0.144 0.000 0.974 566 V HN 0.860 nan 8.190 nan 0.000 0.480 567 C N 4.032 123.300 119.300 -0.053 0.000 2.435 567 C HA 0.844 5.304 4.460 -0.000 0.000 0.333 567 C C 0.810 175.819 174.990 0.031 0.000 1.202 567 C CA -0.753 58.283 59.018 0.031 0.000 1.830 567 C CB 1.160 28.988 27.740 0.145 0.000 2.326 567 C HN 1.033 nan 8.230 nan 0.000 0.507 568 G N 1.775 110.607 108.800 0.054 0.000 2.416 568 G HA2 0.713 4.673 3.960 -0.000 0.000 0.324 568 G HA3 0.713 4.673 3.960 -0.000 0.000 0.324 568 G C -0.887 174.071 174.900 0.098 0.000 1.194 568 G CA -0.372 44.764 45.100 0.058 0.000 0.922 568 G HN 0.931 nan 8.290 nan 0.000 0.467 569 I N -0.082 120.543 120.570 0.092 0.000 2.545 569 I HA 0.766 4.936 4.170 -0.000 0.000 0.292 569 I C -1.166 175.000 176.117 0.081 0.000 1.040 569 I CA -1.260 60.101 61.300 0.101 0.000 1.068 569 I CB 2.519 40.575 38.000 0.094 0.000 1.251 569 I HN 0.155 nan 8.210 nan 0.000 0.424 570 V N 6.754 126.718 119.914 0.084 0.000 2.409 570 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 570 V C -0.043 175.998 176.094 -0.089 0.000 1.020 570 V CA -0.477 61.856 62.300 0.056 0.000 0.848 570 V CB 1.528 33.486 31.823 0.225 0.000 0.990 570 V HN 0.498 nan 8.190 nan 0.000 0.430 571 I N 7.500 128.023 120.570 -0.078 0.000 2.404 571 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 571 I C -2.019 174.016 176.117 -0.137 0.000 0.992 571 I CA -2.648 58.580 61.300 -0.120 0.000 1.149 571 I CB 1.788 39.748 38.000 -0.068 0.000 1.315 571 I HN 0.404 nan 8.210 nan 0.000 0.446 572 P HA 0.160 nan 4.420 nan 0.000 0.279 572 P C 0.418 177.648 177.300 -0.117 0.000 1.282 572 P CA -0.226 62.716 63.100 -0.263 0.000 0.788 572 P CB 0.871 32.324 31.700 -0.412 0.000 1.139 573 W N 0.624 121.900 121.300 -0.041 0.000 3.211 573 W HA 0.033 4.693 4.660 -0.000 0.000 0.292 573 W C 0.930 177.451 176.519 0.002 0.000 1.268 573 W CA 0.178 57.518 57.345 -0.009 0.000 1.702 573 W CB -1.606 27.852 29.460 -0.003 0.000 1.092 573 W HN 0.237 nan 8.180 nan 0.000 0.643 574 N N 2.256 120.863 118.700 -0.155 0.000 2.106 574 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 574 N C -0.267 175.025 175.510 -0.363 0.000 1.029 574 N CA 1.228 54.131 53.050 -0.245 0.000 0.848 574 N CB -1.265 36.986 38.487 -0.392 0.000 1.007 574 N HN 0.206 nan 8.380 nan 0.000 0.423 575 Y N -0.414 119.792 120.300 -0.156 0.000 2.705 575 Y HA 0.440 4.989 4.550 -0.000 0.000 0.355 575 Y C -1.852 173.955 175.900 -0.154 0.000 1.039 575 Y CA -2.124 55.840 58.100 -0.227 0.000 1.233 575 Y CB 2.085 40.215 38.460 -0.551 0.000 1.103 575 Y HN -0.025 nan 8.280 nan 0.000 0.624 576 P HA -0.229 nan 4.420 nan 0.000 0.213 576 P C 1.802 179.101 177.300 -0.001 0.000 1.170 576 P CA 1.156 64.293 63.100 0.060 0.000 0.902 576 P CB 0.481 32.248 31.700 0.112 0.000 0.789 577 L N -1.865 119.383 121.223 0.042 0.000 2.109 577 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 577 L C 2.392 179.208 176.870 -0.089 0.000 1.086 577 L CA 1.718 56.552 54.840 -0.010 0.000 0.760 577 L CB -1.047 41.053 42.059 0.069 0.000 0.910 577 L HN -0.121 nan 8.230 nan 0.000 0.437 578 M N -1.724 117.797 119.600 -0.131 0.000 2.099 578 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 578 M C 2.031 177.961 176.300 -0.616 0.000 1.067 578 M CA 1.619 56.723 55.300 -0.327 0.000 1.124 578 M CB 0.005 32.322 32.600 -0.472 0.000 1.353 578 M HN 0.251 nan 8.290 nan 0.000 0.410 579 M N -0.054 119.184 119.600 -0.604 0.000 2.159 579 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 579 M C 2.230 178.370 176.300 -0.267 0.000 1.063 579 M CA 1.454 56.411 55.300 -0.571 0.000 1.110 579 M CB -1.515 30.839 32.600 -0.410 0.000 1.374 579 M HN 0.427 nan 8.290 nan 0.000 0.411 580 L N -0.106 120.991 121.223 -0.209 0.000 2.012 580 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 580 L C 2.442 179.208 176.870 -0.174 0.000 1.073 580 L CA 1.476 56.209 54.840 -0.178 0.000 0.748 580 L CB -0.233 41.692 42.059 -0.224 0.000 0.891 580 L HN 0.207 nan 8.230 nan 0.000 0.431 581 S N -0.887 114.725 115.700 -0.146 0.000 2.368 581 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 581 S C 1.438 175.978 174.600 -0.100 0.000 1.029 581 S CA 1.343 59.499 58.200 -0.073 0.000 0.988 581 S CB -0.491 62.789 63.200 0.133 0.000 0.838 581 S HN 0.539 nan 8.310 nan 0.000 0.462 582 W N 2.294 123.455 121.300 -0.230 0.000 2.315 582 W HA -0.102 4.558 4.660 -0.000 0.000 0.323 582 W C 2.279 178.644 176.519 -0.257 0.000 1.233 582 W CA 0.817 58.042 57.345 -0.200 0.000 1.267 582 W CB -0.903 28.445 29.460 -0.188 0.000 1.160 582 W HN 0.321 nan 8.180 nan 0.000 0.474 583 K N -1.379 119.045 120.400 0.040 0.000 2.076 583 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 583 K C 1.908 178.360 176.600 -0.246 0.000 1.051 583 K CA 1.783 58.045 56.287 -0.042 0.000 0.949 583 K CB -0.799 31.736 32.500 0.058 0.000 0.726 583 K HN 0.021 nan 8.250 nan 0.000 0.443 584 T N 1.411 115.848 114.554 -0.196 0.000 2.777 584 T HA -0.101 4.248 4.350 -0.000 0.000 0.266 584 T C 2.058 176.616 174.700 -0.236 0.000 1.040 584 T CA 1.309 63.321 62.100 -0.146 0.000 1.141 584 T CB -0.196 68.694 68.868 0.036 0.000 0.868 584 T HN 0.305 nan 8.240 nan 0.000 0.444 585 A N 1.509 124.014 122.820 -0.525 0.000 1.877 585 A HA 0.171 4.490 4.320 -0.000 0.000 0.216 585 A C 2.643 179.886 177.584 -0.568 0.000 1.186 585 A CA 1.809 53.461 52.037 -0.642 0.000 0.620 585 A CB -1.122 17.301 19.000 -0.962 0.000 0.822 585 A HN 0.497 nan 8.150 nan 0.000 0.443 586 A N -1.093 121.138 122.820 -0.981 0.000 1.902 586 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 586 A C 2.411 179.548 177.584 -0.746 0.000 1.181 586 A CA 1.670 53.022 52.037 -1.142 0.000 0.623 586 A CB -1.451 16.903 19.000 -1.077 0.000 0.818 586 A HN 0.811 nan 8.150 nan 0.000 0.443 587 C N -0.306 118.375 119.300 -1.032 0.000 2.413 587 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 587 C C 2.628 177.448 174.990 -0.283 0.000 1.228 587 C CA 1.356 59.737 59.018 -1.060 0.000 1.731 587 C CB -1.522 25.664 27.740 -0.924 0.000 2.042 587 C HN 0.585 nan 8.230 nan 0.000 0.468 588 L N 1.033 122.206 121.223 -0.083 0.000 2.093 588 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 588 L C 3.039 180.106 176.870 0.328 0.000 1.085 588 L CA 1.548 56.557 54.840 0.283 0.000 0.755 588 L CB -0.906 41.367 42.059 0.356 0.000 0.904 588 L HN 0.466 nan 8.230 nan 0.000 0.435 589 A N 0.248 123.147 122.820 0.131 0.000 1.978 589 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 589 A C 2.385 180.021 177.584 0.087 0.000 1.170 589 A CA 1.681 53.794 52.037 0.128 0.000 0.636 589 A CB -0.535 18.563 19.000 0.163 0.000 0.810 589 A HN 0.406 nan 8.150 nan 0.000 0.448 590 A N -2.022 120.831 122.820 0.055 0.000 2.206 590 A HA 0.396 4.715 4.320 -0.000 0.000 0.211 590 A C 1.783 179.435 177.584 0.114 0.000 1.158 590 A CA 1.280 53.362 52.037 0.075 0.000 0.761 590 A CB -0.822 18.230 19.000 0.087 0.000 0.801 590 A HN 1.897 nan 8.150 nan 0.000 0.473 591 G N -0.923 107.972 108.800 0.160 0.000 2.144 591 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 591 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 591 G C -0.037 175.167 174.900 0.506 0.000 0.988 591 G CA 0.039 45.250 45.100 0.185 0.000 0.659 591 G HN 0.498 nan 8.290 nan 0.000 0.522 592 N N 0.641 119.590 118.700 0.416 0.000 2.379 592 N HA 0.570 5.310 4.740 -0.000 0.000 0.260 592 N C 0.622 176.328 175.510 0.326 0.000 1.254 592 N CA 0.823 54.033 53.050 0.267 0.000 0.958 592 N CB 0.935 39.465 38.487 0.072 0.000 1.208 592 N HN 0.564 nan 8.380 nan 0.000 0.532 593 T N -3.278 111.336 114.554 0.100 0.000 2.942 593 T HA 0.673 5.022 4.350 -0.000 0.000 0.289 593 T C -0.374 174.301 174.700 -0.042 0.000 1.044 593 T CA -0.782 61.317 62.100 -0.002 0.000 1.023 593 T CB 1.577 70.460 68.868 0.026 0.000 1.123 593 T HN 0.237 nan 8.240 nan 0.000 0.512 594 V N 0.559 120.443 119.914 -0.050 0.000 3.012 594 V HA 0.684 4.804 4.120 -0.000 0.000 0.307 594 V C -1.544 174.545 176.094 -0.009 0.000 1.166 594 V CA -0.724 61.564 62.300 -0.020 0.000 0.974 594 V CB 2.332 34.152 31.823 -0.004 0.000 1.040 594 V HN 0.985 nan 8.190 nan 0.000 0.428 595 V N 7.078 126.993 119.914 0.001 0.000 2.409 595 V HA 0.564 4.683 4.120 -0.000 0.000 0.291 595 V C -0.254 175.866 176.094 0.043 0.000 1.020 595 V CA -0.393 61.915 62.300 0.014 0.000 0.848 595 V CB 1.518 33.332 31.823 -0.015 0.000 0.990 595 V HN 0.676 nan 8.190 nan 0.000 0.430 596 I N 4.553 125.162 120.570 0.065 0.000 2.377 596 I HA 0.495 4.665 4.170 -0.000 0.000 0.293 596 I C -0.158 176.004 176.117 0.075 0.000 0.987 596 I CA -0.778 60.564 61.300 0.070 0.000 1.185 596 I CB 1.839 39.889 38.000 0.082 0.000 1.341 596 I HN 0.405 nan 8.210 nan 0.000 0.455 597 K N 9.459 129.900 120.400 0.068 0.000 2.414 597 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 597 K C -2.646 173.991 176.600 0.063 0.000 1.037 597 K CA -2.389 53.942 56.287 0.073 0.000 0.980 597 K CB 0.820 33.367 32.500 0.079 0.000 1.280 597 K HN 0.108 nan 8.250 nan 0.000 0.451 598 P HA 0.152 nan 4.420 nan 0.000 0.276 598 P C -0.640 176.708 177.300 0.080 0.000 1.244 598 P CA -0.546 62.596 63.100 0.070 0.000 0.801 598 P CB 0.845 32.601 31.700 0.094 0.000 1.006 599 A N 1.747 124.620 122.820 0.088 0.000 2.531 599 A HA -0.075 4.245 4.320 -0.000 0.000 0.236 599 A C 1.746 179.378 177.584 0.080 0.000 1.062 599 A CA 0.158 52.261 52.037 0.111 0.000 0.760 599 A CB -0.561 18.578 19.000 0.230 0.000 0.995 599 A HN 0.702 nan 8.150 nan 0.000 0.501 600 Q N 1.431 121.232 119.800 0.000 0.000 2.096 600 Q HA -0.185 4.154 4.340 -0.000 0.000 0.204 600 Q C 1.586 177.606 176.000 0.032 0.000 0.982 600 Q CA 2.563 58.316 55.803 -0.082 0.000 0.850 600 Q CB -0.344 28.219 28.738 -0.292 0.000 0.901 600 Q HN 0.982 nan 8.270 nan 0.000 0.422 601 V N -1.992 117.873 119.914 -0.082 0.000 3.141 601 V HA 0.023 4.143 4.120 -0.000 0.000 0.265 601 V C 0.927 177.035 176.094 0.024 0.000 1.126 601 V CA 1.163 63.393 62.300 -0.117 0.000 1.141 601 V CB -0.429 31.078 31.823 -0.528 0.000 0.743 601 V HN 0.431 nan 8.190 nan 0.000 0.492 602 T N -2.251 112.360 114.554 0.096 0.000 3.542 602 T HA 0.469 4.819 4.350 -0.000 0.000 0.276 602 T C -1.638 173.141 174.700 0.132 0.000 1.412 602 T CA -0.687 61.487 62.100 0.123 0.000 1.664 602 T CB 1.303 70.266 68.868 0.159 0.000 0.863 602 T HN 0.355 nan 8.240 nan 0.000 0.661 603 P HA 0.199 nan 4.420 nan 0.000 0.230 603 P C 1.524 178.898 177.300 0.122 0.000 1.168 603 P CA -0.021 63.169 63.100 0.150 0.000 0.793 603 P CB 0.352 32.164 31.700 0.186 0.000 0.851 604 L N 0.314 121.597 121.223 0.100 0.000 2.056 604 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 604 L C 2.713 179.642 176.870 0.099 0.000 1.078 604 L CA 2.328 57.222 54.840 0.091 0.000 0.749 604 L CB -1.795 40.305 42.059 0.068 0.000 0.901 604 L HN 0.087 nan 8.230 nan 0.000 0.433 605 T N -2.346 112.268 114.554 0.100 0.000 2.867 605 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 605 T C 1.974 176.757 174.700 0.137 0.000 1.057 605 T CA 0.846 63.012 62.100 0.110 0.000 1.136 605 T CB -0.337 68.594 68.868 0.105 0.000 0.874 605 T HN 0.298 nan 8.240 nan 0.000 0.466 606 A N 1.941 124.835 122.820 0.123 0.000 1.908 606 A HA 0.114 4.433 4.320 -0.000 0.000 0.218 606 A C 2.429 180.134 177.584 0.201 0.000 1.181 606 A CA 1.415 53.541 52.037 0.148 0.000 0.627 606 A CB -0.908 18.160 19.000 0.113 0.000 0.818 606 A HN 0.552 nan 8.150 nan 0.000 0.445 607 L N -1.207 120.116 121.223 0.168 0.000 2.156 607 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 607 L C 2.556 179.509 176.870 0.137 0.000 1.095 607 L CA 1.593 56.546 54.840 0.189 0.000 0.770 607 L CB -0.379 41.794 42.059 0.189 0.000 0.914 607 L HN 0.306 nan 8.230 nan 0.000 0.439 608 K N 0.679 121.139 120.400 0.100 0.000 2.057 608 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 608 K C 1.997 178.607 176.600 0.016 0.000 1.050 608 K CA 1.412 57.728 56.287 0.048 0.000 0.935 608 K CB -0.567 31.966 32.500 0.055 0.000 0.715 608 K HN 0.099 nan 8.250 nan 0.000 0.439 609 F N 0.983 120.892 119.950 -0.067 0.000 2.087 609 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 609 F C 1.847 177.524 175.800 -0.205 0.000 1.100 609 F CA 2.057 59.988 58.000 -0.115 0.000 1.226 609 F CB -0.826 38.138 39.000 -0.059 0.000 0.983 609 F HN 0.094 nan 8.300 nan 0.000 0.479 610 A N -0.000 122.642 122.820 -0.297 0.000 1.892 610 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 610 A C 2.286 179.357 177.584 -0.855 0.000 1.188 610 A CA 2.073 53.607 52.037 -0.840 0.000 0.631 610 A CB -1.253 17.092 19.000 -1.092 0.000 0.822 610 A HN 0.635 nan 8.150 nan 0.000 0.447 611 E N -0.183 119.835 120.200 -0.302 0.000 2.118 611 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 611 E C 1.913 178.378 176.600 -0.225 0.000 0.992 611 E CA 1.167 57.514 56.400 -0.088 0.000 0.804 611 E CB -0.222 29.511 29.700 0.054 0.000 0.741 611 E HN 0.670 nan 8.360 nan 0.000 0.458 612 L N 0.723 121.734 121.223 -0.353 0.000 2.191 612 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 612 L C 2.866 179.491 176.870 -0.409 0.000 1.103 612 L CA 1.566 56.167 54.840 -0.398 0.000 0.769 612 L CB -0.918 40.885 42.059 -0.427 0.000 0.908 612 L HN 0.343 nan 8.230 nan 0.000 0.438 613 T N -2.093 112.129 114.554 -0.553 0.000 2.867 613 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 613 T C 1.833 176.416 174.700 -0.195 0.000 1.057 613 T CA 0.782 62.623 62.100 -0.432 0.000 1.136 613 T CB -0.368 68.214 68.868 -0.477 0.000 0.874 613 T HN 0.245 nan 8.240 nan 0.000 0.466 614 L N 0.401 121.546 121.223 -0.130 0.000 2.027 614 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 614 L C 3.032 179.887 176.870 -0.025 0.000 1.074 614 L CA 1.518 56.349 54.840 -0.015 0.000 0.745 614 L CB -0.493 41.602 42.059 0.060 0.000 0.898 614 L HN 0.229 nan 8.230 nan 0.000 0.433 615 K N 0.272 120.639 120.400 -0.055 0.000 2.147 615 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 615 K C 1.987 178.575 176.600 -0.020 0.000 1.049 615 K CA 1.381 57.652 56.287 -0.027 0.000 0.936 615 K CB -0.206 32.269 32.500 -0.042 0.000 0.722 615 K HN 0.292 nan 8.250 nan 0.000 0.446 616 A N 0.396 123.182 122.820 -0.056 0.000 2.208 616 A HA 0.184 4.504 4.320 -0.000 0.000 0.209 616 A C 1.355 178.944 177.584 0.009 0.000 1.161 616 A CA 0.759 52.780 52.037 -0.028 0.000 0.782 616 A CB -0.200 18.756 19.000 -0.072 0.000 0.816 616 A HN 0.394 nan 8.150 nan 0.000 0.477 617 G N -0.327 108.476 108.800 0.004 0.000 2.160 617 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 617 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 617 G C -0.037 174.891 174.900 0.047 0.000 1.022 617 G CA 0.083 45.202 45.100 0.032 0.000 0.741 617 G HN 0.314 nan 8.290 nan 0.000 0.508 618 I N 1.016 121.586 120.570 0.001 0.000 2.598 618 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 618 I C -1.403 174.690 176.117 -0.040 0.000 1.140 618 I CA -2.543 58.737 61.300 -0.033 0.000 1.420 618 I CB -0.044 37.858 38.000 -0.162 0.000 1.387 618 I HN -0.073 nan 8.210 nan 0.000 0.553 619 P HA 0.024 nan 4.420 nan 0.000 0.266 619 P C -0.421 176.834 177.300 -0.074 0.000 1.193 619 P CA -0.088 63.015 63.100 0.005 0.000 0.770 619 P CB 0.408 32.164 31.700 0.093 0.000 0.836 620 K N 1.888 122.249 120.400 -0.064 0.000 2.451 620 K HA 0.284 4.604 4.320 -0.000 0.000 0.280 620 K C 1.351 177.865 176.600 -0.142 0.000 1.020 620 K CA 0.879 57.093 56.287 -0.123 0.000 1.008 620 K CB -0.330 32.096 32.500 -0.124 0.000 0.917 620 K HN 0.809 nan 8.250 nan 0.000 0.478 621 G N 1.036 109.714 108.800 -0.204 0.000 2.217 621 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.246 621 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.246 621 G C 0.876 175.683 174.900 -0.155 0.000 0.990 621 G CA 0.197 45.192 45.100 -0.175 0.000 0.627 621 G HN 0.410 nan 8.290 nan 0.000 0.522 622 V N -0.063 119.722 119.914 -0.215 0.000 2.427 622 V HA 0.094 4.214 4.120 -0.000 0.000 0.248 622 V C 1.450 177.402 176.094 -0.237 0.000 1.051 622 V CA 1.920 64.009 62.300 -0.351 0.000 1.048 622 V CB 0.180 31.547 31.823 -0.760 0.000 0.666 622 V HN 0.357 nan 8.190 nan 0.000 0.456 623 V N 1.678 121.515 119.914 -0.127 0.000 2.487 623 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 623 V C -0.690 175.469 176.094 0.108 0.000 1.028 623 V CA -0.735 61.582 62.300 0.028 0.000 0.860 623 V CB 1.735 33.615 31.823 0.096 0.000 0.991 623 V HN 0.449 nan 8.190 nan 0.000 0.427 624 N N 5.388 124.145 118.700 0.095 0.000 2.249 624 N HA 0.649 5.388 4.740 -0.000 0.000 0.296 624 N C -1.398 174.202 175.510 0.150 0.000 1.051 624 N CA -0.498 52.601 53.050 0.081 0.000 0.815 624 N CB 3.107 41.564 38.487 -0.049 0.000 1.487 624 N HN 0.446 nan 8.380 nan 0.000 0.475 625 I N 2.028 122.718 120.570 0.200 0.000 2.498 625 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 625 I C -0.611 175.592 176.117 0.143 0.000 1.032 625 I CA -0.620 60.785 61.300 0.174 0.000 1.073 625 I CB 2.199 40.319 38.000 0.201 0.000 1.251 625 I HN 0.277 nan 8.210 nan 0.000 0.426 626 L N 7.637 128.930 121.223 0.118 0.000 2.457 626 L HA 0.363 4.703 4.340 -0.000 0.000 0.252 626 L C -2.348 174.597 176.870 0.125 0.000 1.132 626 L CA -1.615 53.291 54.840 0.108 0.000 0.938 626 L CB 1.294 43.398 42.059 0.076 0.000 1.246 626 L HN 0.260 nan 8.230 nan 0.000 0.476 627 P HA 0.346 nan 4.420 nan 0.000 0.269 627 P C 0.237 177.656 177.300 0.198 0.000 1.215 627 P CA 0.451 63.676 63.100 0.208 0.000 0.780 627 P CB 1.896 33.764 31.700 0.280 0.000 0.898 628 G N 0.310 109.179 108.800 0.116 0.000 2.334 628 G HA2 0.074 4.034 3.960 -0.000 0.000 0.249 628 G HA3 0.074 4.034 3.960 -0.000 0.000 0.249 628 G C -0.897 173.894 174.900 -0.183 0.000 1.327 628 G CA -0.190 44.875 45.100 -0.058 0.000 0.979 628 G HN 0.603 nan 8.290 nan 0.000 0.471 629 S N 0.548 116.160 115.700 -0.147 0.000 2.510 629 S HA 0.466 4.935 4.470 -0.000 0.000 0.279 629 S C 1.787 176.361 174.600 -0.043 0.000 1.284 629 S CA 0.965 59.094 58.200 -0.118 0.000 1.059 629 S CB 0.724 63.871 63.200 -0.089 0.000 0.901 629 S HN 1.963 nan 8.310 nan 0.000 0.491 630 G N 3.601 112.384 108.800 -0.029 0.000 2.418 630 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 630 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 630 G C 1.763 176.683 174.900 0.033 0.000 1.158 630 G CA 1.022 46.139 45.100 0.028 0.000 0.771 630 G HN 0.999 nan 8.290 nan 0.000 0.545 631 S N 0.594 116.299 115.700 0.008 0.000 2.353 631 S HA -0.096 4.374 4.470 -0.000 0.000 0.222 631 S C 2.365 176.967 174.600 0.004 0.000 1.035 631 S CA 1.360 59.561 58.200 0.001 0.000 1.025 631 S CB -0.569 62.621 63.200 -0.017 0.000 0.902 631 S HN 0.306 nan 8.310 nan 0.000 0.440 632 L N 1.088 122.311 121.223 -0.000 0.000 1.976 632 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 632 L C 2.568 179.453 176.870 0.024 0.000 1.071 632 L CA 1.752 56.596 54.840 0.008 0.000 0.746 632 L CB -0.386 41.675 42.059 0.003 0.000 0.890 632 L HN 0.277 nan 8.230 nan 0.000 0.432 633 V N -0.178 119.754 119.914 0.030 0.000 2.323 633 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 633 V C 2.622 178.749 176.094 0.056 0.000 1.041 633 V CA 1.643 63.971 62.300 0.046 0.000 1.025 633 V CB -1.297 30.556 31.823 0.050 0.000 0.656 633 V HN 0.641 nan 8.190 nan 0.000 0.451 634 G N -0.664 108.173 108.800 0.062 0.000 2.418 634 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 634 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 634 G C 1.533 176.459 174.900 0.045 0.000 1.158 634 G CA 1.188 46.332 45.100 0.073 0.000 0.771 634 G HN 0.493 nan 8.290 nan 0.000 0.545 635 Q N 0.266 120.084 119.800 0.030 0.000 2.050 635 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 635 Q C 2.566 178.587 176.000 0.035 0.000 0.980 635 Q CA 1.731 57.546 55.803 0.021 0.000 0.840 635 Q CB -0.310 28.434 28.738 0.010 0.000 0.898 635 Q HN 0.338 nan 8.270 nan 0.000 0.424 636 R N -0.159 120.369 120.500 0.047 0.000 2.081 636 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 636 R C 2.119 178.484 176.300 0.109 0.000 1.131 636 R CA 1.504 57.646 56.100 0.070 0.000 0.960 636 R CB -0.733 29.612 30.300 0.075 0.000 0.856 636 R HN 0.442 nan 8.270 nan 0.000 0.436 637 L N 0.248 121.524 121.223 0.088 0.000 2.046 637 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 637 L C 2.380 179.302 176.870 0.086 0.000 1.077 637 L CA 1.831 56.721 54.840 0.084 0.000 0.747 637 L CB -0.634 41.461 42.059 0.060 0.000 0.896 637 L HN 0.378 nan 8.230 nan 0.000 0.432 638 S N -1.505 114.232 115.700 0.062 0.000 2.423 638 S HA -0.146 4.323 4.470 -0.000 0.000 0.231 638 S C 1.409 176.038 174.600 0.047 0.000 1.014 638 S CA 1.128 59.354 58.200 0.043 0.000 0.965 638 S CB -0.264 62.944 63.200 0.012 0.000 0.785 638 S HN 0.369 nan 8.310 nan 0.000 0.495 639 D N 0.296 120.730 120.400 0.056 0.000 2.333 639 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 639 D C 0.475 176.805 176.300 0.050 0.000 0.984 639 D CA 0.417 54.440 54.000 0.038 0.000 0.873 639 D CB -0.395 40.415 40.800 0.016 0.000 0.935 639 D HN 0.482 nan 8.370 nan 0.000 0.521 640 H N 2.028 121.102 119.070 0.006 0.000 2.803 640 H HA 0.031 4.587 4.556 -0.000 0.000 0.330 640 H C -1.517 173.814 175.328 0.005 0.000 1.057 640 H CA -1.169 54.883 56.048 0.006 0.000 1.458 640 H CB 1.732 31.499 29.762 0.008 0.000 1.470 640 H HN -0.087 nan 8.280 nan 0.000 0.560 641 P HA -0.072 nan 4.420 nan 0.000 0.226 641 P C 0.354 177.762 177.300 0.180 0.000 1.153 641 P CA 0.847 63.997 63.100 0.082 0.000 0.777 641 P CB 0.622 32.313 31.700 -0.015 0.000 0.794 642 D N -0.748 119.890 120.400 0.396 0.000 2.360 642 D HA 0.061 4.701 4.640 -0.000 0.000 0.210 642 D C 0.539 176.869 176.300 0.051 0.000 1.047 642 D CA 0.181 54.290 54.000 0.182 0.000 0.854 642 D CB 0.587 41.483 40.800 0.160 0.000 0.936 642 D HN 0.039 nan 8.370 nan 0.000 0.514 643 V N 1.897 121.848 119.914 0.062 0.000 2.583 643 V HA 0.146 4.266 4.120 -0.000 0.000 0.287 643 V C 1.334 177.434 176.094 0.011 0.000 1.051 643 V CA -0.073 62.222 62.300 -0.008 0.000 1.010 643 V CB 2.020 33.843 31.823 -0.002 0.000 0.988 643 V HN -0.050 nan 8.190 nan 0.000 0.478 644 R N 2.467 122.955 120.500 -0.020 0.000 2.404 644 R HA 0.329 4.669 4.340 -0.000 0.000 0.237 644 R C 0.282 176.573 176.300 -0.014 0.000 0.907 644 R CA 0.002 56.091 56.100 -0.018 0.000 1.063 644 R CB 0.483 30.756 30.300 -0.045 0.000 1.134 644 R HN 0.540 nan 8.270 nan 0.000 0.529 645 K N 1.003 121.400 120.400 -0.005 0.000 2.557 645 K HA 0.280 4.599 4.320 -0.000 0.000 0.257 645 K C -1.583 175.033 176.600 0.027 0.000 0.933 645 K CA -0.450 55.835 56.287 -0.003 0.000 0.820 645 K CB 1.808 34.292 32.500 -0.026 0.000 1.330 645 K HN -0.168 nan 8.250 nan 0.000 0.432 646 I N 2.141 122.731 120.570 0.033 0.000 2.474 646 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 646 I C 0.532 176.695 176.117 0.078 0.000 1.005 646 I CA -0.571 60.772 61.300 0.071 0.000 1.113 646 I CB 1.542 39.586 38.000 0.073 0.000 1.289 646 I HN 0.719 nan 8.210 nan 0.000 0.436 647 G N 5.644 114.517 108.800 0.121 0.000 2.422 647 G HA2 0.569 4.529 3.960 -0.000 0.000 0.317 647 G HA3 0.569 4.529 3.960 -0.000 0.000 0.317 647 G C -1.586 173.422 174.900 0.181 0.000 1.210 647 G CA -0.286 44.890 45.100 0.127 0.000 0.930 647 G HN 0.370 nan 8.290 nan 0.000 0.468 648 F N 2.342 122.292 119.950 -0.000 0.000 2.529 648 F HA 0.699 5.226 4.527 -0.000 0.000 0.320 648 F C -0.388 175.394 175.800 -0.029 0.000 1.118 648 F CA -0.519 57.473 58.000 -0.014 0.000 0.915 648 F CB 2.505 41.489 39.000 -0.026 0.000 1.161 648 F HN 0.354 nan 8.300 nan 0.000 0.445 649 T N 4.628 118.696 114.554 -0.809 0.000 2.841 649 T HA 0.813 5.163 4.350 -0.000 0.000 0.285 649 T C -0.183 173.820 174.700 -1.162 0.000 0.991 649 T CA -0.268 61.406 62.100 -0.711 0.000 0.966 649 T CB 1.283 69.951 68.868 -0.334 0.000 0.962 649 T HN 1.112 nan 8.240 nan 0.000 0.438 650 G N 1.751 110.034 108.800 -0.860 0.000 2.399 650 G HA2 0.444 4.404 3.960 -0.000 0.000 0.256 650 G HA3 0.444 4.404 3.960 -0.000 0.000 0.256 650 G C -0.627 174.213 174.900 -0.100 0.000 1.236 650 G CA -0.251 44.515 45.100 -0.557 0.000 0.914 650 G HN 0.940 nan 8.290 nan 0.000 0.482 651 S N -0.548 115.208 115.700 0.094 0.000 2.592 651 S HA 0.463 4.933 4.470 -0.000 0.000 0.271 651 S C 1.456 176.170 174.600 0.191 0.000 1.326 651 S CA 1.054 59.307 58.200 0.087 0.000 1.024 651 S CB 1.267 64.515 63.200 0.080 0.000 0.921 651 S HN 0.915 nan 8.310 nan 0.000 0.527 652 T N 1.846 116.485 114.554 0.142 0.000 2.684 652 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 652 T C 1.638 176.407 174.700 0.116 0.000 1.036 652 T CA 1.565 63.759 62.100 0.155 0.000 1.148 652 T CB -0.425 68.570 68.868 0.213 0.000 0.863 652 T HN 0.674 nan 8.240 nan 0.000 0.436 653 E N 0.626 120.903 120.200 0.128 0.000 2.072 653 E HA -0.052 4.297 4.350 -0.000 0.000 0.191 653 E C 2.542 179.250 176.600 0.181 0.000 0.985 653 E CA 0.634 57.128 56.400 0.156 0.000 0.801 653 E CB -0.529 29.259 29.700 0.146 0.000 0.750 653 E HN 0.326 nan 8.360 nan 0.000 0.452 654 V N 0.840 120.816 119.914 0.103 0.000 2.343 654 V HA -0.194 3.925 4.120 -0.000 0.000 0.247 654 V C 2.426 178.338 176.094 -0.303 0.000 1.051 654 V CA 1.963 64.261 62.300 -0.003 0.000 1.036 654 V CB -1.111 30.777 31.823 0.107 0.000 0.654 654 V HN 0.317 nan 8.190 nan 0.000 0.451 655 G N -0.157 108.434 108.800 -0.349 0.000 2.446 655 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.217 655 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.217 655 G C 1.651 176.363 174.900 -0.313 0.000 1.168 655 G CA 0.966 45.722 45.100 -0.573 0.000 0.771 655 G HN 0.476 nan 8.290 nan 0.000 0.551 656 K N -0.450 119.853 120.400 -0.162 0.000 2.063 656 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 656 K C 2.242 178.663 176.600 -0.298 0.000 1.048 656 K CA 1.498 57.664 56.287 -0.202 0.000 0.928 656 K CB -0.242 32.132 32.500 -0.211 0.000 0.713 656 K HN 0.461 nan 8.250 nan 0.000 0.442 657 H N -0.065 118.926 119.070 -0.132 0.000 2.502 657 H HA 0.059 4.615 4.556 -0.000 0.000 0.283 657 H C 1.826 177.069 175.328 -0.143 0.000 1.015 657 H CA 0.509 56.490 56.048 -0.111 0.000 1.298 657 H CB 0.229 29.941 29.762 -0.085 0.000 1.411 657 H HN 0.047 nan 8.280 nan 0.000 0.556 658 I N 0.346 120.815 120.570 -0.168 0.000 2.202 658 I HA -0.272 3.897 4.170 -0.000 0.000 0.242 658 I C 2.360 178.407 176.117 -0.117 0.000 1.091 658 I CA 1.406 62.584 61.300 -0.204 0.000 1.368 658 I CB -0.748 36.981 38.000 -0.452 0.000 1.058 658 I HN 0.398 nan 8.210 nan 0.000 0.410 659 M N 0.676 120.203 119.600 -0.122 0.000 2.117 659 M HA -0.262 4.218 4.480 -0.000 0.000 0.262 659 M C 2.348 178.627 176.300 -0.034 0.000 1.065 659 M CA 1.801 57.077 55.300 -0.040 0.000 1.114 659 M CB -0.178 32.423 32.600 0.002 0.000 1.361 659 M HN 0.071 nan 8.290 nan 0.000 0.408 660 K N -0.378 119.982 120.400 -0.068 0.000 2.063 660 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 660 K C 1.685 178.275 176.600 -0.018 0.000 1.048 660 K CA 2.052 58.309 56.287 -0.050 0.000 0.928 660 K CB -0.113 32.340 32.500 -0.078 0.000 0.713 660 K HN 0.342 nan 8.250 nan 0.000 0.442 661 S N 0.483 116.176 115.700 -0.011 0.000 2.402 661 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 661 S C 2.141 176.742 174.600 0.002 0.000 1.021 661 S CA 1.159 59.360 58.200 0.001 0.000 0.974 661 S CB -0.382 62.820 63.200 0.004 0.000 0.800 661 S HN 0.440 nan 8.310 nan 0.000 0.484 662 C N 1.843 121.142 119.300 -0.002 0.000 2.429 662 C HA -0.020 4.439 4.460 -0.000 0.000 0.277 662 C C 3.065 178.058 174.990 0.005 0.000 1.262 662 C CA 0.539 59.561 59.018 0.008 0.000 1.733 662 C CB -1.538 26.210 27.740 0.013 0.000 2.010 662 C HN 0.683 nan 8.230 nan 0.000 0.483 663 A N 0.346 123.166 122.820 -0.001 0.000 1.877 663 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 663 A C 2.048 179.630 177.584 -0.004 0.000 1.186 663 A CA 1.474 53.508 52.037 -0.005 0.000 0.620 663 A CB -0.603 18.391 19.000 -0.010 0.000 0.822 663 A HN 0.620 nan 8.150 nan 0.000 0.443 664 L N 0.386 121.607 121.223 -0.003 0.000 2.395 664 L HA -0.066 4.274 4.340 -0.000 0.000 0.218 664 L C 2.652 179.521 176.870 -0.002 0.000 1.130 664 L CA 0.895 55.733 54.840 -0.003 0.000 0.826 664 L CB -0.339 41.719 42.059 -0.001 0.000 0.941 664 L HN 0.625 nan 8.230 nan 0.000 0.451 665 S N 1.020 116.720 115.700 0.001 0.000 2.289 665 S HA -0.019 4.451 4.470 -0.000 0.000 0.193 665 S C 1.157 175.758 174.600 0.003 0.000 1.002 665 S CA 0.637 58.838 58.200 0.002 0.000 0.951 665 S CB -0.296 62.909 63.200 0.009 0.000 0.920 665 S HN 0.483 nan 8.310 nan 0.000 0.502 666 N N 0.885 119.591 118.700 0.009 0.000 2.377 666 N HA 0.133 4.873 4.740 -0.000 0.000 0.259 666 N C 0.281 175.794 175.510 0.006 0.000 1.332 666 N CA 0.174 53.230 53.050 0.009 0.000 0.877 666 N CB -0.117 38.381 38.487 0.018 0.000 1.299 666 N HN 1.111 nan 8.380 nan 0.000 0.501 667 V N -1.559 118.356 119.914 0.002 0.000 5.043 667 V HA -0.368 3.752 4.120 -0.000 0.000 0.267 667 V C 0.252 176.345 176.094 -0.001 0.000 0.597 667 V CA 1.154 63.453 62.300 -0.003 0.000 0.703 667 V CB -2.833 28.984 31.823 -0.009 0.000 0.558 667 V HN 0.674 nan 8.190 nan 0.000 1.038 668 K N -0.086 120.318 120.400 0.006 0.000 2.380 668 K HA 0.408 4.728 4.320 -0.000 0.000 0.267 668 K C 0.252 176.853 176.600 0.003 0.000 0.990 668 K CA -0.426 55.865 56.287 0.006 0.000 0.946 668 K CB 0.615 33.125 32.500 0.015 0.000 0.937 668 K HN 0.602 nan 8.250 nan 0.000 0.491 669 K N 0.718 121.114 120.400 -0.007 0.000 2.319 669 K HA 0.212 4.532 4.320 -0.000 0.000 0.265 669 K C -0.625 175.984 176.600 0.015 0.000 1.000 669 K CA -0.474 55.806 56.287 -0.011 0.000 0.943 669 K CB 1.247 33.723 32.500 -0.041 0.000 0.950 669 K HN 0.393 nan 8.250 nan 0.000 0.485 670 V N 1.052 121.003 119.914 0.062 0.000 2.888 670 V HA 0.413 4.533 4.120 -0.000 0.000 0.309 670 V C -1.486 174.753 176.094 0.241 0.000 1.114 670 V CA -0.401 61.973 62.300 0.123 0.000 0.940 670 V CB 2.439 34.345 31.823 0.139 0.000 1.021 670 V HN 0.825 nan 8.190 nan 0.000 0.426 671 S N 6.346 122.135 115.700 0.148 0.000 2.536 671 S HA 0.836 5.306 4.470 -0.000 0.000 0.298 671 S C -1.105 173.485 174.600 -0.017 0.000 1.083 671 S CA -0.643 57.636 58.200 0.133 0.000 0.995 671 S CB 1.710 64.946 63.200 0.061 0.000 1.058 671 S HN 0.677 nan 8.310 nan 0.000 0.488 672 L N 1.870 122.930 121.223 -0.271 0.000 2.436 672 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 672 L C -0.558 176.225 176.870 -0.145 0.000 0.974 672 L CA -0.413 54.305 54.840 -0.203 0.000 0.826 672 L CB 1.940 43.719 42.059 -0.466 0.000 1.291 672 L HN 0.561 nan 8.230 nan 0.000 0.406 673 E N 4.264 124.453 120.200 -0.018 0.000 2.220 673 E HA 0.344 4.694 4.350 -0.000 0.000 0.256 673 E C -0.912 175.669 176.600 -0.033 0.000 0.881 673 E CA -0.333 56.059 56.400 -0.014 0.000 0.766 673 E CB 1.712 31.448 29.700 0.060 0.000 1.187 673 E HN 0.641 nan 8.360 nan 0.000 0.419 674 L N 3.617 124.822 121.223 -0.029 0.000 3.110 674 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 674 L C 0.876 177.646 176.870 -0.167 0.000 1.257 674 L CA 0.015 54.843 54.840 -0.020 0.000 1.038 674 L CB 0.236 42.340 42.059 0.076 0.000 1.395 674 L HN 0.786 nan 8.230 nan 0.000 0.566 675 G N 0.176 108.852 108.800 -0.206 0.000 2.741 675 G HA2 0.064 4.024 3.960 -0.000 0.000 0.222 675 G HA3 0.064 4.024 3.960 -0.000 0.000 0.222 675 G C -0.245 174.327 174.900 -0.546 0.000 1.364 675 G CA -0.465 44.441 45.100 -0.325 0.000 0.866 675 G HN 0.570 nan 8.290 nan 0.000 0.555 676 G N -1.561 106.878 108.800 -0.601 0.000 2.649 676 G HA2 0.727 4.687 3.960 -0.000 0.000 0.290 676 G HA3 0.727 4.687 3.960 -0.000 0.000 0.290 676 G C -1.212 173.529 174.900 -0.266 0.000 1.426 676 G CA 0.313 45.117 45.100 -0.494 0.000 0.794 676 G HN 1.171 nan 8.290 nan 0.000 0.483 677 K N 0.670 121.112 120.400 0.071 0.000 2.842 677 K HA 0.509 4.829 4.320 -0.000 0.000 0.176 677 K C -0.363 176.325 176.600 0.147 0.000 1.080 677 K CA -0.346 56.039 56.287 0.164 0.000 0.954 677 K CB 0.353 33.038 32.500 0.308 0.000 1.203 677 K HN 0.354 nan 8.250 nan 0.000 0.611 678 S N 4.474 120.242 115.700 0.114 0.000 2.499 678 S HA 0.338 4.808 4.470 -0.000 0.000 0.275 678 S C -2.398 172.286 174.600 0.141 0.000 1.257 678 S CA -0.957 57.323 58.200 0.134 0.000 1.050 678 S CB 0.661 63.968 63.200 0.180 0.000 0.937 678 S HN 0.441 nan 8.310 nan 0.000 0.490 679 P HA 0.376 nan 4.420 nan 0.000 0.288 679 P C -1.142 176.240 177.300 0.137 0.000 1.267 679 P CA -0.773 62.440 63.100 0.190 0.000 0.815 679 P CB 0.961 32.812 31.700 0.253 0.000 0.989 680 L N 4.533 125.792 121.223 0.060 0.000 2.343 680 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 680 L C -0.951 175.851 176.870 -0.113 0.000 0.996 680 L CA -0.689 54.099 54.840 -0.086 0.000 0.831 680 L CB 0.732 42.612 42.059 -0.298 0.000 1.232 680 L HN 0.232 nan 8.230 nan 0.000 0.413 681 I N 6.505 126.973 120.570 -0.170 0.000 2.321 681 I HA 0.393 4.562 4.170 -0.000 0.000 0.291 681 I C -0.466 175.473 176.117 -0.296 0.000 0.998 681 I CA -0.316 60.835 61.300 -0.248 0.000 1.227 681 I CB 1.261 39.020 38.000 -0.402 0.000 1.368 681 I HN 0.501 nan 8.210 nan 0.000 0.466 682 I N 6.593 127.031 120.570 -0.219 0.000 2.354 682 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 682 I C -0.512 175.600 176.117 -0.009 0.000 1.007 682 I CA -0.412 60.827 61.300 -0.101 0.000 1.167 682 I CB 0.794 38.666 38.000 -0.212 0.000 1.320 682 I HN 0.334 nan 8.210 nan 0.000 0.458 683 F N 3.287 123.385 119.950 0.247 0.000 2.371 683 F HA 0.352 4.879 4.527 -0.000 0.000 0.329 683 F C 1.541 177.419 175.800 0.129 0.000 1.107 683 F CA -0.134 58.008 58.000 0.237 0.000 1.137 683 F CB 1.340 40.477 39.000 0.229 0.000 1.214 683 F HN 0.521 nan 8.300 nan 0.000 0.536 684 A N 0.819 123.804 122.820 0.275 0.000 2.070 684 A HA -0.171 4.148 4.320 -0.000 0.000 0.220 684 A C 1.497 179.178 177.584 0.162 0.000 1.159 684 A CA 1.664 53.793 52.037 0.155 0.000 0.656 684 A CB -0.912 18.143 19.000 0.091 0.000 0.800 684 A HN 0.768 nan 8.150 nan 0.000 0.453 685 D N -0.463 120.055 120.400 0.196 0.000 2.319 685 D HA 0.056 4.695 4.640 -0.000 0.000 0.230 685 D C 0.835 177.225 176.300 0.150 0.000 1.094 685 D CA 0.232 54.316 54.000 0.139 0.000 0.856 685 D CB -1.710 39.146 40.800 0.094 0.000 0.915 685 D HN 0.517 nan 8.370 nan 0.000 0.517 686 C N -0.510 118.910 119.300 0.200 0.000 2.553 686 C HA 0.447 4.907 4.460 -0.000 0.000 0.345 686 C C 0.646 175.712 174.990 0.126 0.000 1.369 686 C CA -1.189 57.942 59.018 0.189 0.000 2.447 686 C CB 0.852 28.758 27.740 0.276 0.000 2.358 686 C HN 0.235 nan 8.230 nan 0.000 0.676 687 D N 0.903 121.354 120.400 0.085 0.000 2.344 687 D HA 0.106 4.746 4.640 -0.000 0.000 0.253 687 D C 0.643 176.987 176.300 0.073 0.000 1.255 687 D CA -0.224 53.809 54.000 0.056 0.000 0.894 687 D CB 0.537 41.346 40.800 0.015 0.000 1.067 687 D HN 0.644 nan 8.370 nan 0.000 0.492 688 L N 5.467 126.749 121.223 0.098 0.000 2.027 688 L HA -0.114 4.225 4.340 -0.000 0.000 0.206 688 L C 1.640 178.583 176.870 0.121 0.000 1.074 688 L CA 1.527 56.454 54.840 0.144 0.000 0.745 688 L CB -0.593 41.551 42.059 0.141 0.000 0.898 688 L HN 0.375 nan 8.230 nan 0.000 0.433 689 N N -0.000 118.738 118.700 0.065 0.000 2.166 689 N HA -0.235 4.505 4.740 -0.000 0.000 0.186 689 N C 1.837 177.360 175.510 0.022 0.000 1.019 689 N CA 1.402 54.473 53.050 0.035 0.000 0.856 689 N CB -0.243 38.255 38.487 0.018 0.000 0.993 689 N HN 0.436 nan 8.380 nan 0.000 0.426 690 K N 0.851 121.253 120.400 0.002 0.000 2.097 690 K HA 0.006 4.325 4.320 -0.000 0.000 0.205 690 K C 1.890 178.437 176.600 -0.088 0.000 1.050 690 K CA 1.112 57.367 56.287 -0.054 0.000 0.938 690 K CB -0.038 32.408 32.500 -0.090 0.000 0.718 690 K HN 0.080 nan 8.250 nan 0.000 0.442 691 A N 0.624 123.439 122.820 -0.009 0.000 1.933 691 A HA -0.100 4.219 4.320 -0.000 0.000 0.218 691 A C 2.193 180.016 177.584 0.397 0.000 1.175 691 A CA 1.505 53.641 52.037 0.165 0.000 0.628 691 A CB -0.533 18.716 19.000 0.416 0.000 0.814 691 A HN 0.174 nan 8.150 nan 0.000 0.444 692 V N -0.084 119.975 119.914 0.242 0.000 2.307 692 V HA -0.246 3.873 4.120 -0.000 0.000 0.245 692 V C 2.777 178.901 176.094 0.049 0.000 1.045 692 V CA 2.013 64.339 62.300 0.045 0.000 1.024 692 V CB -0.695 31.054 31.823 -0.123 0.000 0.651 692 V HN 0.537 nan 8.190 nan 0.000 0.449 693 Q N -0.658 119.168 119.800 0.043 0.000 2.020 693 Q HA -0.146 4.193 4.340 -0.000 0.000 0.202 693 Q C 2.211 178.253 176.000 0.071 0.000 0.982 693 Q CA 1.882 57.711 55.803 0.044 0.000 0.838 693 Q CB -0.419 28.331 28.738 0.020 0.000 0.899 693 Q HN 0.581 nan 8.270 nan 0.000 0.423 694 M N -0.529 119.104 119.600 0.056 0.000 2.175 694 M HA -0.058 4.421 4.480 -0.000 0.000 0.264 694 M C 2.136 178.581 176.300 0.242 0.000 1.063 694 M CA 1.425 56.786 55.300 0.102 0.000 1.119 694 M CB -0.483 32.078 32.600 -0.067 0.000 1.377 694 M HN 0.260 nan 8.290 nan 0.000 0.415 695 G N 0.200 109.213 108.800 0.355 0.000 2.402 695 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.216 695 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.216 695 G C 1.544 176.450 174.900 0.010 0.000 1.162 695 G CA 0.536 45.801 45.100 0.276 0.000 0.777 695 G HN 0.309 nan 8.290 nan 0.000 0.539 696 M N 0.653 120.260 119.600 0.012 0.000 2.086 696 M HA -0.079 4.401 4.480 -0.000 0.000 0.261 696 M C 2.857 179.110 176.300 -0.079 0.000 1.067 696 M CA 1.595 56.835 55.300 -0.099 0.000 1.116 696 M CB -0.258 32.422 32.600 0.133 0.000 1.348 696 M HN 0.342 nan 8.290 nan 0.000 0.407 697 S N 0.156 115.897 115.700 0.069 0.000 2.399 697 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 697 S C 1.975 176.612 174.600 0.062 0.000 1.022 697 S CA 1.761 60.047 58.200 0.144 0.000 0.983 697 S CB -0.343 62.950 63.200 0.155 0.000 0.803 697 S HN 0.628 nan 8.310 nan 0.000 0.480 698 S N 0.226 115.865 115.700 -0.101 0.000 2.419 698 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 698 S C 1.663 176.099 174.600 -0.273 0.000 1.019 698 S CA 1.396 59.380 58.200 -0.360 0.000 0.982 698 S CB -0.502 62.151 63.200 -0.912 0.000 0.789 698 S HN 0.386 nan 8.310 nan 0.000 0.490 699 V N -0.402 119.333 119.914 -0.298 0.000 2.690 699 V HA 0.238 4.358 4.120 -0.000 0.000 0.240 699 V C 1.853 177.899 176.094 -0.081 0.000 1.078 699 V CA 0.812 62.924 62.300 -0.312 0.000 1.102 699 V CB -0.686 30.745 31.823 -0.654 0.000 0.800 699 V HN 0.441 nan 8.190 nan 0.000 0.479 700 F N -0.681 119.333 119.950 0.106 0.000 2.743 700 F HA 0.298 4.825 4.527 -0.000 0.000 0.297 700 F C 0.949 176.855 175.800 0.175 0.000 1.131 700 F CA -1.330 56.746 58.000 0.127 0.000 1.426 700 F CB -0.778 38.273 39.000 0.085 0.000 1.116 700 F HN 0.044 nan 8.300 nan 0.000 0.583 701 F N 2.284 122.353 119.950 0.199 0.000 2.629 701 F HA 0.017 4.544 4.527 -0.000 0.000 0.377 701 F C 1.258 177.136 175.800 0.130 0.000 1.101 701 F CA -0.100 58.001 58.000 0.167 0.000 1.301 701 F CB 0.018 39.104 39.000 0.143 0.000 1.062 701 F HN 0.142 nan 8.300 nan 0.000 0.583 702 N N 4.101 122.475 118.700 -0.543 0.000 2.714 702 N HA -0.304 4.436 4.740 -0.000 0.000 0.252 702 N C 0.214 175.629 175.510 -0.159 0.000 1.014 702 N CA 1.239 54.066 53.050 -0.372 0.000 0.735 702 N CB -0.537 37.718 38.487 -0.386 0.000 0.924 702 N HN 0.731 nan 8.380 nan 0.000 0.540 703 K N -2.211 118.172 120.400 -0.027 0.000 2.975 703 K HA -0.255 4.065 4.320 -0.000 0.000 0.257 703 K C 0.945 177.614 176.600 0.116 0.000 1.005 703 K CA 1.928 58.270 56.287 0.092 0.000 0.738 703 K CB -2.404 30.024 32.500 -0.120 0.000 1.236 703 K HN 1.420 nan 8.250 nan 0.000 0.483 704 G N -0.331 108.528 108.800 0.099 0.000 2.189 704 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.267 704 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.267 704 G C -0.086 174.644 174.900 -0.282 0.000 0.975 704 G CA 0.729 45.836 45.100 0.012 0.000 0.644 704 G HN 0.630 nan 8.290 nan 0.000 0.537 705 E N 0.825 120.792 120.200 -0.388 0.000 1.856 705 E HA 0.347 4.697 4.350 -0.000 0.000 0.263 705 E C 0.076 176.108 176.600 -0.946 0.000 1.137 705 E CA -0.165 55.714 56.400 -0.869 0.000 1.007 705 E CB -0.008 29.471 29.700 -0.367 0.000 1.117 705 E HN 0.492 nan 8.360 nan 0.000 0.438 706 N N 1.952 120.036 118.700 -1.026 0.000 2.697 706 N HA 0.015 4.754 4.740 -0.000 0.000 0.271 706 N C 0.597 176.052 175.510 -0.091 0.000 1.149 706 N CA -0.513 52.395 53.050 -0.237 0.000 0.939 706 N CB 0.698 39.230 38.487 0.076 0.000 1.534 706 N HN 0.416 nan 8.380 nan 0.000 0.556 707 C N 2.527 121.941 119.300 0.190 0.000 2.419 707 C HA 0.044 4.503 4.460 -0.000 0.000 0.283 707 C C 1.920 177.052 174.990 0.237 0.000 1.373 707 C CA -0.010 59.200 59.018 0.319 0.000 1.781 707 C CB -1.765 26.148 27.740 0.289 0.000 1.886 707 C HN 0.759 nan 8.230 nan 0.000 0.520 708 I N -0.372 120.371 120.570 0.288 0.000 3.904 708 I HA 0.493 4.663 4.170 -0.000 0.000 0.333 708 I C 1.157 177.487 176.117 0.356 0.000 1.361 708 I CA -0.274 61.196 61.300 0.283 0.000 1.116 708 I CB -0.678 37.522 38.000 0.333 0.000 1.028 708 I HN 0.141 nan 8.210 nan 0.000 0.398 709 A N 2.076 125.040 122.820 0.241 0.000 2.587 709 A HA 0.451 4.771 4.320 -0.000 0.000 0.233 709 A C 0.907 178.561 177.584 0.117 0.000 1.049 709 A CA 0.404 52.539 52.037 0.163 0.000 0.754 709 A CB -0.063 18.961 19.000 0.040 0.000 0.977 709 A HN 0.668 nan 8.150 nan 0.000 0.509 710 A N 2.343 125.108 122.820 -0.092 0.000 2.484 710 A HA 0.458 4.777 4.320 -0.000 0.000 0.268 710 A C 1.349 178.886 177.584 -0.078 0.000 1.114 710 A CA 0.262 52.210 52.037 -0.149 0.000 0.780 710 A CB -0.355 18.364 19.000 -0.468 0.000 1.061 710 A HN 1.615 nan 8.150 nan 0.000 0.505 711 G N 2.408 111.207 108.800 -0.001 0.000 2.838 711 G HA2 0.225 4.185 3.960 -0.000 0.000 0.210 711 G HA3 0.225 4.185 3.960 -0.000 0.000 0.210 711 G C 0.695 175.586 174.900 -0.015 0.000 1.153 711 G CA -0.111 44.999 45.100 0.015 0.000 0.778 711 G HN 0.686 nan 8.290 nan 0.000 0.539 712 R N -0.684 119.778 120.500 -0.064 0.000 2.604 712 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 712 R C -1.946 174.207 176.300 -0.246 0.000 1.020 712 R CA -0.787 55.191 56.100 -0.202 0.000 0.899 712 R CB 2.072 32.185 30.300 -0.311 0.000 1.205 712 R HN -0.025 nan 8.270 nan 0.000 0.450 713 L N 3.286 124.327 121.223 -0.304 0.000 2.305 713 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 713 L C -0.995 175.669 176.870 -0.342 0.000 1.013 713 L CA -0.081 54.605 54.840 -0.257 0.000 0.819 713 L CB 0.935 42.884 42.059 -0.183 0.000 1.227 713 L HN 0.457 nan 8.230 nan 0.000 0.417 714 F N 3.450 123.340 119.950 -0.100 0.000 2.385 714 F HA 0.579 5.106 4.527 -0.000 0.000 0.360 714 F C 0.046 175.910 175.800 0.107 0.000 1.122 714 F CA -0.759 57.252 58.000 0.019 0.000 1.090 714 F CB 1.392 40.320 39.000 -0.120 0.000 1.150 714 F HN 0.028 nan 8.300 nan 0.000 0.472 715 V N 2.883 122.958 119.914 0.268 0.000 2.487 715 V HA 0.236 4.356 4.120 -0.000 0.000 0.298 715 V C -0.066 175.883 176.094 -0.241 0.000 1.028 715 V CA -1.217 61.075 62.300 -0.013 0.000 0.860 715 V CB 1.653 33.330 31.823 -0.244 0.000 0.991 715 V HN 0.678 nan 8.190 nan 0.000 0.427 716 E N 3.050 122.886 120.200 -0.607 0.000 2.452 716 E HA -0.008 4.342 4.350 -0.000 0.000 0.261 716 E C 1.004 177.354 176.600 -0.417 0.000 0.987 716 E CA -0.080 55.695 56.400 -1.043 0.000 0.926 716 E CB 0.627 29.930 29.700 -0.661 0.000 0.934 716 E HN 0.650 nan 8.360 nan 0.000 0.452 717 E N 1.928 121.897 120.200 -0.384 0.000 2.086 717 E HA -0.281 4.068 4.350 -0.000 0.000 0.205 717 E C 1.883 178.450 176.600 -0.055 0.000 1.027 717 E CA 2.086 58.390 56.400 -0.159 0.000 0.830 717 E CB -0.381 29.240 29.700 -0.132 0.000 0.751 717 E HN 0.653 nan 8.360 nan 0.000 0.456 718 S N 0.123 115.788 115.700 -0.058 0.000 2.447 718 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 718 S C 2.043 176.664 174.600 0.034 0.000 1.006 718 S CA 1.243 59.441 58.200 -0.002 0.000 0.957 718 S CB -0.589 62.611 63.200 0.001 0.000 0.773 718 S HN 0.447 nan 8.310 nan 0.000 0.507 719 I N -2.643 117.948 120.570 0.035 0.000 4.018 719 I HA 0.315 4.485 4.170 -0.000 0.000 0.337 719 I C 2.187 178.383 176.117 0.132 0.000 1.327 719 I CA -0.219 61.130 61.300 0.082 0.000 1.100 719 I CB -0.519 37.532 38.000 0.085 0.000 1.025 719 I HN 0.133 nan 8.210 nan 0.000 0.396 720 H N 3.150 122.230 119.070 0.017 0.000 2.289 720 H HA -0.180 4.376 4.556 -0.000 0.000 0.296 720 H C 1.394 176.802 175.328 0.134 0.000 1.091 720 H CA 2.634 58.715 56.048 0.055 0.000 1.274 720 H CB 0.037 29.799 29.762 0.000 0.000 1.364 720 H HN 0.365 nan 8.280 nan 0.000 0.490 721 N N 0.787 119.652 118.700 0.276 0.000 2.188 721 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 721 N C 2.168 177.733 175.510 0.091 0.000 1.018 721 N CA 0.991 54.157 53.050 0.193 0.000 0.858 721 N CB -0.556 38.037 38.487 0.178 0.000 0.989 721 N HN 0.569 nan 8.380 nan 0.000 0.426 722 Q N -0.476 119.384 119.800 0.099 0.000 2.119 722 Q HA -0.091 4.248 4.340 -0.000 0.000 0.201 722 Q C 1.873 177.915 176.000 0.071 0.000 0.972 722 Q CA 0.884 56.731 55.803 0.074 0.000 0.847 722 Q CB -0.149 28.637 28.738 0.081 0.000 0.903 722 Q HN 0.349 nan 8.270 nan 0.000 0.433 723 F N 0.134 120.062 119.950 -0.037 0.000 2.069 723 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 723 F C 1.899 177.652 175.800 -0.077 0.000 1.113 723 F CA 1.581 59.551 58.000 -0.051 0.000 1.214 723 F CB -0.278 38.680 39.000 -0.070 0.000 0.978 723 F HN -0.101 nan 8.300 nan 0.000 0.474 724 V N 0.488 120.375 119.914 -0.044 0.000 2.343 724 V HA -0.342 3.777 4.120 -0.000 0.000 0.247 724 V C 2.287 178.304 176.094 -0.128 0.000 1.051 724 V CA 2.304 64.533 62.300 -0.120 0.000 1.036 724 V CB -0.951 30.818 31.823 -0.089 0.000 0.654 724 V HN 0.418 nan 8.190 nan 0.000 0.451 725 Q N -0.161 119.595 119.800 -0.075 0.000 2.061 725 Q HA -0.253 4.086 4.340 -0.000 0.000 0.204 725 Q C 2.359 178.302 176.000 -0.094 0.000 0.984 725 Q CA 1.806 57.573 55.803 -0.059 0.000 0.846 725 Q CB -0.240 28.485 28.738 -0.022 0.000 0.902 725 Q HN 0.605 nan 8.270 nan 0.000 0.421 726 K N -0.118 120.202 120.400 -0.133 0.000 2.057 726 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 726 K C 2.110 178.594 176.600 -0.192 0.000 1.050 726 K CA 1.180 57.378 56.287 -0.147 0.000 0.935 726 K CB -0.076 32.334 32.500 -0.150 0.000 0.715 726 K HN 0.013 nan 8.250 nan 0.000 0.439 727 V N 1.106 120.833 119.914 -0.312 0.000 2.287 727 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 727 V C 2.269 178.298 176.094 -0.109 0.000 1.053 727 V CA 1.605 63.755 62.300 -0.250 0.000 1.027 727 V CB -0.362 31.255 31.823 -0.344 0.000 0.646 727 V HN 0.094 nan 8.190 nan 0.000 0.447 728 V N -0.172 119.681 119.914 -0.102 0.000 2.332 728 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 728 V C 2.418 178.469 176.094 -0.071 0.000 1.055 728 V CA 2.266 64.522 62.300 -0.072 0.000 1.038 728 V CB -0.710 31.075 31.823 -0.062 0.000 0.651 728 V HN 0.633 nan 8.190 nan 0.000 0.450 729 E N -0.423 119.735 120.200 -0.070 0.000 2.085 729 E HA -0.226 4.123 4.350 -0.000 0.000 0.194 729 E C 2.299 178.865 176.600 -0.057 0.000 0.994 729 E CA 1.352 57.717 56.400 -0.059 0.000 0.801 729 E CB -0.114 29.555 29.700 -0.053 0.000 0.743 729 E HN 0.576 nan 8.360 nan 0.000 0.453 730 E N 0.294 120.459 120.200 -0.057 0.000 2.112 730 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 730 E C 2.320 178.890 176.600 -0.050 0.000 0.979 730 E CA 0.432 56.808 56.400 -0.041 0.000 0.814 730 E CB -0.153 29.532 29.700 -0.026 0.000 0.762 730 E HN 0.117 nan 8.360 nan 0.000 0.460 731 V N 1.721 121.595 119.914 -0.066 0.000 2.392 731 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 731 V C 2.038 178.044 176.094 -0.147 0.000 1.059 731 V CA 1.815 64.031 62.300 -0.139 0.000 1.051 731 V CB -0.451 31.279 31.823 -0.155 0.000 0.658 731 V HN 0.256 nan 8.190 nan 0.000 0.455 732 E N -0.289 119.846 120.200 -0.107 0.000 2.268 732 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 732 E C 1.982 178.532 176.600 -0.083 0.000 0.995 732 E CA 0.789 57.131 56.400 -0.097 0.000 0.836 732 E CB -0.059 29.595 29.700 -0.077 0.000 0.763 732 E HN 0.594 nan 8.360 nan 0.000 0.491 733 K N -0.054 120.303 120.400 -0.071 0.000 2.426 733 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 733 K C 0.349 176.917 176.600 -0.053 0.000 1.028 733 K CA 0.040 56.296 56.287 -0.052 0.000 1.047 733 K CB 0.213 32.692 32.500 -0.035 0.000 0.821 733 K HN 0.098 nan 8.250 nan 0.000 0.513 734 M N 1.612 121.164 119.600 -0.080 0.000 2.228 734 M HA 0.053 4.533 4.480 -0.000 0.000 0.351 734 M C -0.246 176.021 176.300 -0.055 0.000 1.233 734 M CA 0.577 55.832 55.300 -0.076 0.000 1.129 734 M CB 0.489 32.995 32.600 -0.156 0.000 1.604 734 M HN -0.188 nan 8.290 nan 0.000 0.457 735 K N 4.313 124.705 120.400 -0.014 0.000 2.268 735 K HA 0.488 4.808 4.320 -0.000 0.000 0.276 735 K C -0.957 175.663 176.600 0.033 0.000 1.080 735 K CA -0.119 56.164 56.287 -0.007 0.000 0.910 735 K CB 0.658 33.157 32.500 -0.003 0.000 1.163 735 K HN 0.577 nan 8.250 nan 0.000 0.465 736 I N 2.551 123.129 120.570 0.014 0.000 2.342 736 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 736 I C 0.771 176.841 176.117 -0.077 0.000 1.010 736 I CA -0.056 61.285 61.300 0.069 0.000 1.308 736 I CB 1.356 39.397 38.000 0.069 0.000 1.400 736 I HN 0.792 nan 8.210 nan 0.000 0.488 737 G N 5.105 113.905 108.800 0.000 0.000 2.335 737 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.291 737 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.291 737 G C -1.342 173.648 174.900 0.150 0.000 1.261 737 G CA -0.813 44.197 45.100 -0.151 0.000 0.871 737 G HN 0.486 nan 8.290 nan 0.000 0.491 738 N N 1.827 120.572 118.700 0.074 0.000 2.411 738 N HA 0.122 4.862 4.740 -0.000 0.000 0.265 738 N C -0.914 174.659 175.510 0.105 0.000 1.266 738 N CA -0.942 52.187 53.050 0.131 0.000 0.889 738 N CB 1.548 40.059 38.487 0.039 0.000 1.069 738 N HN 0.126 nan 8.380 nan 0.000 0.476 739 P HA -0.093 nan 4.420 nan 0.000 0.228 739 P C 1.172 178.514 177.300 0.071 0.000 1.151 739 P CA 0.923 64.060 63.100 0.063 0.000 0.770 739 P CB 0.321 32.030 31.700 0.015 0.000 0.786 740 L N -1.009 120.237 121.223 0.038 0.000 2.492 740 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 740 L C 1.175 178.038 176.870 -0.013 0.000 1.132 740 L CA 0.388 55.223 54.840 -0.009 0.000 0.850 740 L CB -0.425 41.593 42.059 -0.069 0.000 0.966 740 L HN -0.083 nan 8.230 nan 0.000 0.454 741 E N 0.591 120.799 120.200 0.014 0.000 2.259 741 E HA 0.101 4.451 4.350 -0.000 0.000 0.281 741 E C 0.546 177.166 176.600 0.033 0.000 1.027 741 E CA -0.353 56.052 56.400 0.008 0.000 0.838 741 E CB 1.335 31.035 29.700 0.001 0.000 1.066 741 E HN -0.000 nan 8.360 nan 0.000 0.401 742 R N 1.922 122.441 120.500 0.031 0.000 2.152 742 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 742 R C 1.105 177.430 176.300 0.043 0.000 1.117 742 R CA 1.212 57.343 56.100 0.052 0.000 0.981 742 R CB -0.438 29.889 30.300 0.046 0.000 0.870 742 R HN 0.576 nan 8.270 nan 0.000 0.451 743 D N -1.298 119.118 120.400 0.026 0.000 2.317 743 D HA -0.041 4.599 4.640 -0.000 0.000 0.211 743 D C 0.034 176.349 176.300 0.026 0.000 0.966 743 D CA 0.197 54.210 54.000 0.021 0.000 0.876 743 D CB -0.409 40.394 40.800 0.006 0.000 0.927 743 D HN -0.180 nan 8.370 nan 0.000 0.519 744 T N 1.205 115.779 114.554 0.034 0.000 2.902 744 T HA 0.068 4.417 4.350 -0.000 0.000 0.301 744 T C 1.004 175.738 174.700 0.056 0.000 1.012 744 T CA 0.018 62.146 62.100 0.046 0.000 1.151 744 T CB 0.306 69.209 68.868 0.059 0.000 0.946 744 T HN 0.462 nan 8.240 nan 0.000 0.542 745 N N 1.697 120.438 118.700 0.069 0.000 2.160 745 N HA 0.009 4.749 4.740 -0.000 0.000 0.226 745 N C -0.376 175.211 175.510 0.129 0.000 1.256 745 N CA -0.402 52.694 53.050 0.077 0.000 0.890 745 N CB 0.542 39.069 38.487 0.067 0.000 1.116 745 N HN 0.575 nan 8.380 nan 0.000 0.517 746 H N 0.567 119.653 119.070 0.028 0.000 3.013 746 H HA 0.516 5.072 4.556 -0.000 0.000 0.326 746 H C -0.113 175.290 175.328 0.125 0.000 0.973 746 H CA -0.340 55.732 56.048 0.040 0.000 1.369 746 H CB 1.315 31.081 29.762 0.008 0.000 1.598 746 H HN 0.219 nan 8.280 nan 0.000 0.518 747 G N 4.071 112.720 108.800 -0.252 0.000 2.557 747 G HA2 0.364 4.324 3.960 -0.000 0.000 0.292 747 G HA3 0.364 4.324 3.960 -0.000 0.000 0.292 747 G C -2.500 172.098 174.900 -0.503 0.000 1.237 747 G CA -1.609 43.372 45.100 -0.199 0.000 0.978 747 G HN 0.530 nan 8.290 nan 0.000 0.498 748 P HA 0.154 nan 4.420 nan 0.000 0.276 748 P C -0.569 176.456 177.300 -0.459 0.000 1.244 748 P CA -0.454 61.953 63.100 -1.156 0.000 0.801 748 P CB 0.883 31.724 31.700 -1.433 0.000 1.006 749 Q N 1.149 120.802 119.800 -0.244 0.000 2.492 749 Q HA 0.011 4.351 4.340 -0.000 0.000 0.238 749 Q C 1.321 177.296 176.000 -0.043 0.000 1.045 749 Q CA 0.061 55.827 55.803 -0.061 0.000 0.934 749 Q CB -0.054 28.680 28.738 -0.005 0.000 1.276 749 Q HN 0.526 nan 8.270 nan 0.000 0.521 750 N N 0.695 119.385 118.700 -0.017 0.000 2.188 750 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 750 N C -0.078 175.442 175.510 0.016 0.000 1.018 750 N CA 1.048 54.100 53.050 0.003 0.000 0.858 750 N CB 0.429 38.953 38.487 0.061 0.000 0.989 750 N HN 0.694 nan 8.380 nan 0.000 0.426 751 H N -2.843 116.098 119.070 -0.214 0.000 3.014 751 H HA 0.156 4.712 4.556 -0.000 0.000 0.337 751 H C 0.263 175.260 175.328 -0.551 0.000 1.320 751 H CA -0.585 55.267 56.048 -0.327 0.000 1.128 751 H CB 0.922 30.453 29.762 -0.387 0.000 1.862 751 H HN -0.108 nan 8.280 nan 0.000 0.536 752 E N 0.994 120.648 120.200 -0.910 0.000 2.077 752 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 752 E C 1.974 178.280 176.600 -0.489 0.000 0.989 752 E CA 1.555 57.277 56.400 -1.130 0.000 0.800 752 E CB -0.108 28.874 29.700 -1.197 0.000 0.746 752 E HN 0.624 nan 8.360 nan 0.000 0.452 753 A N 0.288 122.947 122.820 -0.267 0.000 1.940 753 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 753 A C 1.966 179.449 177.584 -0.168 0.000 1.176 753 A CA 1.958 53.919 52.037 -0.128 0.000 0.631 753 A CB -0.856 18.150 19.000 0.011 0.000 0.814 753 A HN 0.447 nan 8.150 nan 0.000 0.446 754 H N -0.558 118.183 119.070 -0.548 0.000 2.357 754 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 754 H C 1.775 176.912 175.328 -0.318 0.000 1.082 754 H CA 1.608 57.362 56.048 -0.491 0.000 1.342 754 H CB -0.336 28.913 29.762 -0.856 0.000 1.389 754 H HN 0.322 nan 8.280 nan 0.000 0.511 755 L N 0.767 121.757 121.223 -0.389 0.000 2.013 755 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 755 L C 2.296 179.034 176.870 -0.221 0.000 1.073 755 L CA 1.793 56.460 54.840 -0.288 0.000 0.753 755 L CB -0.500 41.505 42.059 -0.090 0.000 0.890 755 L HN 0.174 nan 8.230 nan 0.000 0.432 756 R N -0.498 119.907 120.500 -0.158 0.000 2.083 756 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 756 R C 2.242 178.499 176.300 -0.072 0.000 1.137 756 R CA 1.487 57.544 56.100 -0.072 0.000 0.951 756 R CB -0.479 29.788 30.300 -0.055 0.000 0.851 756 R HN 0.302 nan 8.270 nan 0.000 0.434 757 K N 0.949 121.287 120.400 -0.103 0.000 2.063 757 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 757 K C 2.164 178.716 176.600 -0.080 0.000 1.048 757 K CA 1.239 57.501 56.287 -0.041 0.000 0.928 757 K CB -0.349 32.163 32.500 0.021 0.000 0.713 757 K HN 0.259 nan 8.250 nan 0.000 0.442 758 L N 0.465 121.483 121.223 -0.342 0.000 2.056 758 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 758 L C 2.461 179.190 176.870 -0.235 0.000 1.078 758 L CA 0.662 55.188 54.840 -0.524 0.000 0.749 758 L CB -0.581 40.727 42.059 -1.252 0.000 0.901 758 L HN -0.121 nan 8.230 nan 0.000 0.433 759 V N 0.054 119.921 119.914 -0.078 0.000 2.287 759 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 759 V C 2.383 178.591 176.094 0.190 0.000 1.053 759 V CA 1.942 64.372 62.300 0.216 0.000 1.027 759 V CB -0.485 31.460 31.823 0.202 0.000 0.646 759 V HN 0.458 nan 8.190 nan 0.000 0.447 760 E N -1.118 119.156 120.200 0.122 0.000 2.077 760 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 760 E C 2.102 178.794 176.600 0.152 0.000 0.989 760 E CA 1.625 58.090 56.400 0.109 0.000 0.800 760 E CB -0.285 29.457 29.700 0.070 0.000 0.746 760 E HN 0.731 nan 8.360 nan 0.000 0.452 761 Y N 0.703 121.053 120.300 0.083 0.000 2.128 761 Y HA -0.325 4.225 4.550 -0.000 0.000 0.284 761 Y C 2.219 178.240 175.900 0.201 0.000 1.154 761 Y CA 1.489 59.684 58.100 0.160 0.000 1.149 761 Y CB -0.289 38.261 38.460 0.148 0.000 0.976 761 Y HN 0.084 nan 8.280 nan 0.000 0.505 762 C N 0.003 119.601 119.300 0.496 0.000 2.450 762 C HA -0.140 4.320 4.460 -0.000 0.000 0.279 762 C C 2.571 177.796 174.990 0.391 0.000 1.335 762 C CA 0.966 60.340 59.018 0.593 0.000 1.749 762 C CB -1.099 27.020 27.740 0.632 0.000 1.963 762 C HN 0.611 nan 8.230 nan 0.000 0.501 763 Q N 0.473 120.416 119.800 0.239 0.000 2.061 763 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 763 Q C 2.397 178.432 176.000 0.059 0.000 0.984 763 Q CA 1.718 57.603 55.803 0.137 0.000 0.846 763 Q CB -0.232 28.561 28.738 0.092 0.000 0.902 763 Q HN 0.616 nan 8.270 nan 0.000 0.421 764 R N 0.069 120.554 120.500 -0.024 0.000 2.081 764 R HA -0.122 4.217 4.340 -0.000 0.000 0.235 764 R C 2.255 178.469 176.300 -0.145 0.000 1.131 764 R CA 1.531 57.540 56.100 -0.151 0.000 0.960 764 R CB -0.584 29.498 30.300 -0.363 0.000 0.856 764 R HN 0.335 nan 8.270 nan 0.000 0.436 765 G N -0.178 108.519 108.800 -0.173 0.000 2.476 765 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 765 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 765 G C 1.370 176.197 174.900 -0.120 0.000 1.164 765 G CA 1.108 45.981 45.100 -0.378 0.000 0.768 765 G HN 0.246 nan 8.290 nan 0.000 0.560 766 V N 0.748 120.751 119.914 0.148 0.000 2.307 766 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 766 V C 2.668 178.809 176.094 0.080 0.000 1.045 766 V CA 2.200 64.617 62.300 0.195 0.000 1.024 766 V CB -0.398 31.555 31.823 0.216 0.000 0.651 766 V HN 0.431 nan 8.190 nan 0.000 0.449 767 K N 0.709 121.131 120.400 0.037 0.000 2.063 767 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 767 K C 2.032 178.633 176.600 0.002 0.000 1.048 767 K CA 2.045 58.339 56.287 0.011 0.000 0.928 767 K CB -0.128 32.363 32.500 -0.016 0.000 0.713 767 K HN 0.774 nan 8.250 nan 0.000 0.442 768 E N -1.314 118.872 120.200 -0.023 0.000 2.502 768 E HA 0.025 4.374 4.350 -0.000 0.000 0.194 768 E C 0.791 177.395 176.600 0.007 0.000 1.062 768 E CA 0.625 57.017 56.400 -0.013 0.000 0.867 768 E CB 0.381 30.055 29.700 -0.044 0.000 0.888 768 E HN 0.450 nan 8.360 nan 0.000 0.510 769 G N 0.489 109.298 108.800 0.015 0.000 2.184 769 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.206 769 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.206 769 G C 0.355 175.284 174.900 0.049 0.000 0.995 769 G CA -0.205 44.920 45.100 0.041 0.000 0.651 769 G HN 0.624 nan 8.290 nan 0.000 0.511 770 A N 0.229 123.062 122.820 0.021 0.000 2.386 770 A HA 0.655 4.975 4.320 -0.000 0.000 0.248 770 A C 0.707 178.446 177.584 0.259 0.000 1.082 770 A CA 1.076 53.163 52.037 0.083 0.000 0.789 770 A CB 0.336 19.272 19.000 -0.106 0.000 1.025 770 A HN 0.735 nan 8.150 nan 0.000 0.490 771 T N 2.505 117.231 114.554 0.286 0.000 2.723 771 T HA 0.321 4.670 4.350 -0.000 0.000 0.297 771 T C -0.085 174.773 174.700 0.264 0.000 0.925 771 T CA -0.000 62.242 62.100 0.237 0.000 1.030 771 T CB 0.050 69.013 68.868 0.158 0.000 0.905 771 T HN 0.468 nan 8.240 nan 0.000 0.502 772 L N 6.683 127.982 121.223 0.127 0.000 2.433 772 L HA 0.221 4.561 4.340 -0.000 0.000 0.284 772 L C 1.043 177.832 176.870 -0.135 0.000 1.120 772 L CA 0.437 55.144 54.840 -0.223 0.000 0.879 772 L CB 0.060 41.987 42.059 -0.220 0.000 1.232 772 L HN 0.500 nan 8.230 nan 0.000 0.454 773 V N 3.723 123.554 119.914 -0.138 0.000 2.407 773 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 773 V C 0.798 176.833 176.094 -0.099 0.000 1.041 773 V CA 1.211 63.470 62.300 -0.069 0.000 1.040 773 V CB -0.143 31.668 31.823 -0.021 0.000 0.671 773 V HN 0.964 nan 8.190 nan 0.000 0.455 774 C N -2.603 116.609 119.300 -0.148 0.000 3.288 774 C HA 0.848 5.308 4.460 -0.000 0.000 0.318 774 C C 0.585 175.454 174.990 -0.202 0.000 1.356 774 C CA -0.443 58.485 59.018 -0.150 0.000 1.359 774 C CB 0.982 28.650 27.740 -0.120 0.000 1.688 774 C HN 1.188 nan 8.230 nan 0.000 0.467 775 G N 0.792 109.466 108.800 -0.210 0.000 2.539 775 G HA2 0.364 4.324 3.960 -0.000 0.000 0.256 775 G HA3 0.364 4.324 3.960 -0.000 0.000 0.256 775 G C 1.121 175.855 174.900 -0.276 0.000 1.233 775 G CA 1.953 46.888 45.100 -0.275 0.000 0.936 775 G HN 3.222 nan 8.290 nan 0.000 0.571 776 G N -1.802 106.794 108.800 -0.338 0.000 2.194 776 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.236 776 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.236 776 G C 0.176 174.989 174.900 -0.146 0.000 0.987 776 G CA 1.176 46.204 45.100 -0.120 0.000 0.635 776 G HN 1.561 nan 8.290 nan 0.000 0.520 777 N N 0.008 118.430 118.700 -0.464 0.000 2.380 777 N HA 0.408 5.148 4.740 -0.000 0.000 0.290 777 N C -0.366 174.931 175.510 -0.355 0.000 1.236 777 N CA -0.655 52.256 53.050 -0.232 0.000 0.780 777 N CB 1.282 39.697 38.487 -0.119 0.000 1.438 777 N HN 0.393 nan 8.380 nan 0.000 0.491 778 Q N 0.806 120.623 119.800 0.028 0.000 2.330 778 Q HA 0.126 4.466 4.340 -0.000 0.000 0.279 778 Q C -0.688 175.322 176.000 0.017 0.000 1.024 778 Q CA -0.208 55.667 55.803 0.119 0.000 0.900 778 Q CB 0.629 29.484 28.738 0.195 0.000 1.221 778 Q HN 0.304 nan 8.270 nan 0.000 0.396 779 V N 7.298 127.244 119.914 0.052 0.000 2.521 779 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 779 V C -1.796 174.305 176.094 0.011 0.000 1.034 779 V CA -1.132 61.170 62.300 0.004 0.000 1.045 779 V CB 0.821 32.654 31.823 0.017 0.000 0.974 779 V HN 0.848 nan 8.190 nan 0.000 0.480 780 P HA 0.216 nan 4.420 nan 0.000 0.230 780 P C -0.465 176.803 177.300 -0.054 0.000 1.791 780 P CA -0.124 62.962 63.100 -0.023 0.000 1.020 780 P CB -0.155 31.527 31.700 -0.030 0.000 1.977 781 R N 0.718 121.183 120.500 -0.057 0.000 2.781 781 R HA 0.787 5.127 4.340 -0.000 0.000 0.269 781 R C -3.041 173.233 176.300 -0.042 0.000 1.025 781 R CA -2.401 53.638 56.100 -0.101 0.000 0.914 781 R CB -0.679 29.477 30.300 -0.239 0.000 1.236 781 R HN -0.161 nan 8.270 nan 0.000 0.465 782 P HA 0.209 nan 4.420 nan 0.000 0.267 782 P C 0.116 177.418 177.300 0.002 0.000 1.201 782 P CA 1.377 64.450 63.100 -0.044 0.000 0.775 782 P CB 0.443 32.110 31.700 -0.056 0.000 0.854 783 G N 0.667 109.328 108.800 -0.232 0.000 2.615 783 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 783 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 783 G C -0.854 173.724 174.900 -0.536 0.000 1.339 783 G CA -0.700 44.054 45.100 -0.576 0.000 0.884 783 G HN 0.320 nan 8.290 nan 0.000 0.559 784 F N 0.476 120.414 119.950 -0.019 0.000 2.530 784 F HA 0.576 5.103 4.527 -0.000 0.000 0.318 784 F C 0.237 175.980 175.800 -0.096 0.000 1.356 784 F CA -1.105 56.871 58.000 -0.040 0.000 1.135 784 F CB 0.114 39.057 39.000 -0.095 0.000 1.315 784 F HN 0.291 nan 8.300 nan 0.000 0.549 785 F N 0.925 120.956 119.950 0.135 0.000 2.394 785 F HA 0.459 4.986 4.527 -0.000 0.000 0.340 785 F C -0.174 175.758 175.800 0.220 0.000 1.105 785 F CA -0.808 57.265 58.000 0.122 0.000 1.124 785 F CB 1.075 40.102 39.000 0.045 0.000 1.145 785 F HN 0.054 nan 8.300 nan 0.000 0.505 786 F N 2.413 122.514 119.950 0.250 0.000 2.540 786 F HA 0.402 4.929 4.527 -0.000 0.000 0.317 786 F C -0.370 175.548 175.800 0.197 0.000 1.104 786 F CA -0.880 57.228 58.000 0.180 0.000 0.913 786 F CB 1.367 40.429 39.000 0.105 0.000 1.170 786 F HN 0.429 nan 8.300 nan 0.000 0.450 787 Q N 6.261 125.710 119.800 -0.586 0.000 2.311 787 Q HA 0.190 4.530 4.340 -0.000 0.000 0.272 787 Q C -2.286 173.473 176.000 -0.402 0.000 1.012 787 Q CA -1.541 53.990 55.803 -0.454 0.000 0.891 787 Q CB 0.313 28.750 28.738 -0.503 0.000 1.201 787 Q HN 0.303 nan 8.270 nan 0.000 0.391 788 P HA -0.067 nan 4.420 nan 0.000 0.262 788 P C -1.036 176.079 177.300 -0.309 0.000 1.182 788 P CA 0.511 63.255 63.100 -0.593 0.000 0.761 788 P CB 0.655 31.676 31.700 -1.132 0.000 0.795 789 T N 2.589 117.141 114.554 -0.003 0.000 2.876 789 T HA 0.500 4.850 4.350 -0.000 0.000 0.289 789 T C -0.620 174.167 174.700 0.145 0.000 1.014 789 T CA -0.448 61.669 62.100 0.028 0.000 0.986 789 T CB 1.190 70.132 68.868 0.123 0.000 1.021 789 T HN -0.045 nan 8.240 nan 0.000 0.458 790 V N 3.447 123.352 119.914 -0.015 0.000 2.483 790 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 790 V C -1.205 174.839 176.094 -0.084 0.000 1.027 790 V CA -0.842 61.486 62.300 0.046 0.000 0.855 790 V CB 1.282 33.141 31.823 0.060 0.000 0.995 790 V HN 0.788 nan 8.190 nan 0.000 0.424 791 F N 2.857 122.877 119.950 0.118 0.000 2.469 791 F HA 0.745 5.272 4.527 -0.000 0.000 0.332 791 F C 0.800 176.655 175.800 0.093 0.000 1.103 791 F CA -0.252 57.809 58.000 0.101 0.000 0.979 791 F CB 2.360 41.424 39.000 0.106 0.000 1.137 791 F HN 0.616 nan 8.300 nan 0.000 0.463 792 T N -2.144 112.600 114.554 0.317 0.000 2.883 792 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 792 T C -0.636 174.185 174.700 0.203 0.000 1.041 792 T CA -0.840 61.414 62.100 0.258 0.000 1.007 792 T CB 1.510 70.540 68.868 0.270 0.000 1.220 792 T HN 0.545 nan 8.240 nan 0.000 0.552 793 D N -0.613 119.875 120.400 0.147 0.000 2.772 793 D HA -0.116 4.524 4.640 -0.000 0.000 0.233 793 D C -0.330 175.996 176.300 0.043 0.000 1.143 793 D CA 0.371 54.417 54.000 0.077 0.000 0.700 793 D CB -1.804 39.044 40.800 0.080 0.000 1.076 793 D HN 0.492 nan 8.370 nan 0.000 0.430 794 V N 0.815 120.744 119.914 0.025 0.000 2.461 794 V HA 0.132 4.252 4.120 -0.000 0.000 0.275 794 V C 0.851 176.906 176.094 -0.066 0.000 1.047 794 V CA -0.038 62.231 62.300 -0.052 0.000 0.955 794 V CB 1.733 33.511 31.823 -0.075 0.000 0.988 794 V HN -0.016 nan 8.190 nan 0.000 0.471 795 E N 2.807 122.932 120.200 -0.125 0.000 2.212 795 E HA 0.297 4.647 4.350 -0.000 0.000 0.270 795 E C 0.185 176.687 176.600 -0.163 0.000 0.956 795 E CA -0.706 55.634 56.400 -0.100 0.000 0.825 795 E CB 1.499 31.159 29.700 -0.068 0.000 1.167 795 E HN 0.548 nan 8.360 nan 0.000 0.400 796 D N 0.376 120.771 120.400 -0.008 0.000 2.182 796 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 796 D C 1.579 177.879 176.300 0.000 0.000 0.986 796 D CA 1.533 55.552 54.000 0.032 0.000 0.847 796 D CB -0.234 40.633 40.800 0.112 0.000 0.942 796 D HN 0.603 nan 8.370 nan 0.000 0.467 797 H N -1.399 117.686 119.070 0.024 0.000 2.547 797 H HA 0.195 4.751 4.556 -0.000 0.000 0.272 797 H C 0.829 176.166 175.328 0.015 0.000 0.989 797 H CA -0.122 55.937 56.048 0.018 0.000 1.214 797 H CB -0.318 29.454 29.762 0.017 0.000 1.389 797 H HN 0.005 nan 8.280 nan 0.000 0.577 798 M N 0.807 120.126 119.600 -0.469 0.000 2.248 798 M HA -0.027 4.453 4.480 -0.000 0.000 0.337 798 M C 0.938 177.179 176.300 -0.097 0.000 1.121 798 M CA -0.090 55.033 55.300 -0.295 0.000 1.155 798 M CB 0.494 32.886 32.600 -0.346 0.000 1.514 798 M HN 0.307 nan 8.290 nan 0.000 0.452 799 Y N 3.628 123.827 120.300 -0.169 0.000 2.114 799 Y HA -0.269 4.281 4.550 -0.000 0.000 0.282 799 Y C 1.842 177.625 175.900 -0.196 0.000 1.165 799 Y CA 2.457 60.464 58.100 -0.155 0.000 1.148 799 Y CB -0.139 38.211 38.460 -0.184 0.000 0.972 799 Y HN 0.724 nan 8.280 nan 0.000 0.504 800 I N -1.216 119.230 120.570 -0.208 0.000 2.916 800 I HA 0.019 4.188 4.170 -0.000 0.000 0.267 800 I C 2.029 178.071 176.117 -0.126 0.000 1.263 800 I CA 1.366 62.495 61.300 -0.284 0.000 1.471 800 I CB -0.611 37.157 38.000 -0.386 0.000 1.089 800 I HN 0.213 nan 8.210 nan 0.000 0.468 801 A N 1.279 124.014 122.820 -0.141 0.000 2.169 801 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 801 A C 2.170 179.728 177.584 -0.043 0.000 1.153 801 A CA 0.713 52.696 52.037 -0.090 0.000 0.756 801 A CB -0.183 18.756 19.000 -0.100 0.000 0.813 801 A HN 0.527 nan 8.150 nan 0.000 0.471 802 K N -0.887 119.461 120.400 -0.086 0.000 2.424 802 K HA 0.145 4.465 4.320 -0.000 0.000 0.198 802 K C 0.320 176.902 176.600 -0.030 0.000 1.190 802 K CA 0.138 56.394 56.287 -0.053 0.000 0.935 802 K CB 0.485 32.939 32.500 -0.077 0.000 1.087 802 K HN 0.332 nan 8.250 nan 0.000 0.524 803 E N 2.427 122.526 120.200 -0.168 0.000 2.216 803 E HA 0.046 4.395 4.350 -0.000 0.000 0.279 803 E C -1.139 175.542 176.600 0.135 0.000 0.997 803 E CA -0.409 55.927 56.400 -0.106 0.000 0.817 803 E CB 1.131 30.469 29.700 -0.604 0.000 1.096 803 E HN 0.026 nan 8.360 nan 0.000 0.393 804 E N 2.741 123.034 120.200 0.155 0.000 2.257 804 E HA 0.022 4.372 4.350 -0.000 0.000 0.278 804 E C 0.247 176.892 176.600 0.076 0.000 1.049 804 E CA 0.201 56.663 56.400 0.104 0.000 0.876 804 E CB 0.613 30.317 29.700 0.008 0.000 1.035 804 E HN 0.679 nan 8.360 nan 0.000 0.419 805 S N 4.655 120.297 115.700 -0.097 0.000 2.406 805 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 805 S C 0.911 175.547 174.600 0.060 0.000 1.030 805 S CA 0.233 58.179 58.200 -0.424 0.000 0.958 805 S CB -0.217 62.428 63.200 -0.925 0.000 0.811 805 S HN 0.787 nan 8.310 nan 0.000 0.489 806 F N 1.394 121.308 119.950 -0.060 0.000 3.057 806 F HA -0.046 4.481 4.527 -0.000 0.000 0.287 806 F C 0.541 176.450 175.800 0.181 0.000 0.834 806 F CA 0.530 58.559 58.000 0.048 0.000 1.147 806 F CB -1.209 37.819 39.000 0.047 0.000 1.245 806 F HN 0.587 nan 8.300 nan 0.000 0.509 807 G N -0.716 108.125 108.800 0.068 0.000 2.798 807 G HA2 0.676 4.635 3.960 -0.000 0.000 0.286 807 G HA3 0.676 4.635 3.960 -0.000 0.000 0.286 807 G C -2.980 171.993 174.900 0.121 0.000 1.389 807 G CA -0.879 44.245 45.100 0.040 0.000 0.894 807 G HN -0.134 nan 8.290 nan 0.000 0.488 808 P HA 0.324 nan 4.420 nan 0.000 0.225 808 P C -0.746 176.876 177.300 0.537 0.000 1.813 808 P CA 0.057 63.446 63.100 0.482 0.000 1.013 808 P CB -0.362 31.620 31.700 0.470 0.000 1.961 809 I N 1.984 122.770 120.570 0.360 0.000 2.448 809 I HA 0.358 4.528 4.170 -0.000 0.000 0.281 809 I C 0.346 176.608 176.117 0.243 0.000 1.027 809 I CA -0.796 60.718 61.300 0.357 0.000 1.111 809 I CB 2.006 40.202 38.000 0.326 0.000 1.236 809 I HN 0.027 nan 8.210 nan 0.000 0.452 810 M N 7.508 127.245 119.600 0.228 0.000 2.120 810 M HA 0.503 4.983 4.480 -0.000 0.000 0.354 810 M C -1.202 175.207 176.300 0.182 0.000 1.287 810 M CA 0.006 55.351 55.300 0.074 0.000 1.103 810 M CB 0.630 33.224 32.600 -0.011 0.000 1.623 810 M HN 0.493 nan 8.290 nan 0.000 0.471 811 I N 7.424 128.060 120.570 0.111 0.000 2.464 811 I HA 0.340 4.510 4.170 -0.000 0.000 0.277 811 I C -0.936 175.179 176.117 -0.002 0.000 1.040 811 I CA -0.320 61.053 61.300 0.123 0.000 1.153 811 I CB 0.910 38.966 38.000 0.092 0.000 1.274 811 I HN 0.657 nan 8.210 nan 0.000 0.469 812 I N 4.652 125.256 120.570 0.058 0.000 2.354 812 I HA 0.392 4.561 4.170 -0.000 0.000 0.292 812 I C 0.071 176.201 176.117 0.021 0.000 0.989 812 I CA -0.112 61.200 61.300 0.021 0.000 1.188 812 I CB 1.630 39.701 38.000 0.118 0.000 1.342 812 I HN 0.423 nan 8.210 nan 0.000 0.457 813 S N 5.384 121.028 115.700 -0.093 0.000 2.568 813 S HA 0.602 5.071 4.470 -0.000 0.000 0.302 813 S C -0.296 174.385 174.600 0.135 0.000 1.082 813 S CA -0.881 57.305 58.200 -0.024 0.000 1.009 813 S CB 1.863 64.966 63.200 -0.162 0.000 1.069 813 S HN 0.483 nan 8.310 nan 0.000 0.500 814 R N 0.800 121.369 120.500 0.114 0.000 2.532 814 R HA 0.633 4.973 4.340 -0.000 0.000 0.272 814 R C -0.794 175.665 176.300 0.265 0.000 1.032 814 R CA -0.434 55.722 56.100 0.094 0.000 1.089 814 R CB 0.571 30.798 30.300 -0.121 0.000 1.098 814 R HN 0.641 nan 8.270 nan 0.000 0.526 815 F N -1.159 118.829 119.950 0.063 0.000 2.599 815 F HA 0.734 5.261 4.527 -0.000 0.000 0.311 815 F C -0.683 175.136 175.800 0.032 0.000 1.076 815 F CA -1.660 56.370 58.000 0.050 0.000 0.937 815 F CB 1.016 40.034 39.000 0.030 0.000 1.282 815 F HN 0.541 nan 8.300 nan 0.000 0.460 816 A N 1.718 124.617 122.820 0.130 0.000 2.462 816 A HA 0.251 4.571 4.320 -0.000 0.000 0.243 816 A C -0.199 177.391 177.584 0.010 0.000 1.076 816 A CA -0.440 51.616 52.037 0.033 0.000 0.773 816 A CB -0.232 18.816 19.000 0.080 0.000 1.010 816 A HN 0.760 nan 8.150 nan 0.000 0.493 817 D N 1.114 121.489 120.400 -0.042 0.000 2.533 817 D HA 0.289 4.929 4.640 -0.000 0.000 0.236 817 D C 1.422 177.777 176.300 0.091 0.000 1.137 817 D CA 2.116 56.115 54.000 -0.002 0.000 0.867 817 D CB 0.561 41.359 40.800 -0.003 0.000 1.170 817 D HN 1.096 nan 8.370 nan 0.000 0.474 818 G N 2.717 111.614 108.800 0.161 0.000 2.234 818 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.260 818 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.260 818 G C 0.253 175.277 174.900 0.207 0.000 0.987 818 G CA 0.042 45.238 45.100 0.161 0.000 0.625 818 G HN 0.553 nan 8.290 nan 0.000 0.532 819 D N -0.035 120.531 120.400 0.278 0.000 2.424 819 D HA 0.485 5.125 4.640 -0.000 0.000 0.244 819 D C 1.263 177.769 176.300 0.343 0.000 1.134 819 D CA 0.572 54.734 54.000 0.271 0.000 0.881 819 D CB 1.751 42.721 40.800 0.283 0.000 1.191 819 D HN 0.126 nan 8.370 nan 0.000 0.445 820 V N 2.020 122.059 119.914 0.208 0.000 3.177 820 V HA -0.059 4.060 4.120 -0.000 0.000 0.219 820 V C 1.450 177.615 176.094 0.118 0.000 1.344 820 V CA 0.041 62.472 62.300 0.218 0.000 1.324 820 V CB -0.021 31.921 31.823 0.198 0.000 1.165 820 V HN 0.347 nan 8.190 nan 0.000 0.510 821 D N 1.376 121.846 120.400 0.117 0.000 2.178 821 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 821 D C 2.089 178.390 176.300 0.002 0.000 0.980 821 D CA 1.626 55.678 54.000 0.086 0.000 0.842 821 D CB -0.084 40.774 40.800 0.096 0.000 0.948 821 D HN 0.424 nan 8.370 nan 0.000 0.472 822 A N 0.545 123.366 122.820 0.002 0.000 1.873 822 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 822 A C 2.407 179.916 177.584 -0.125 0.000 1.186 822 A CA 1.278 53.301 52.037 -0.024 0.000 0.616 822 A CB -0.857 18.161 19.000 0.030 0.000 0.823 822 A HN 0.186 nan 8.150 nan 0.000 0.442 823 V N -0.036 119.742 119.914 -0.227 0.000 2.427 823 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 823 V C 2.399 178.152 176.094 -0.570 0.000 1.051 823 V CA 1.911 63.884 62.300 -0.545 0.000 1.048 823 V CB -0.452 30.740 31.823 -1.052 0.000 0.666 823 V HN 0.572 nan 8.190 nan 0.000 0.456 824 L N -0.224 120.796 121.223 -0.338 0.000 2.012 824 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 824 L C 2.703 179.442 176.870 -0.218 0.000 1.073 824 L CA 2.082 56.769 54.840 -0.254 0.000 0.748 824 L CB -0.690 41.291 42.059 -0.129 0.000 0.891 824 L HN 0.318 nan 8.230 nan 0.000 0.431 825 S N -0.498 115.106 115.700 -0.160 0.000 2.370 825 S HA -0.209 4.260 4.470 -0.000 0.000 0.226 825 S C 2.020 176.545 174.600 -0.124 0.000 1.033 825 S CA 1.391 59.526 58.200 -0.109 0.000 1.011 825 S CB -0.234 62.927 63.200 -0.065 0.000 0.852 825 S HN 0.373 nan 8.310 nan 0.000 0.457 826 R N 1.097 121.480 120.500 -0.195 0.000 2.075 826 R HA 0.051 4.390 4.340 -0.000 0.000 0.232 826 R C 2.588 178.790 176.300 -0.163 0.000 1.126 826 R CA 1.194 57.203 56.100 -0.152 0.000 0.963 826 R CB -0.488 29.707 30.300 -0.176 0.000 0.858 826 R HN 0.393 nan 8.270 nan 0.000 0.435 827 A N 1.491 124.045 122.820 -0.445 0.000 1.933 827 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 827 A C 1.579 179.130 177.584 -0.056 0.000 1.175 827 A CA 1.396 53.276 52.037 -0.261 0.000 0.628 827 A CB -0.283 18.473 19.000 -0.407 0.000 0.814 827 A HN 0.225 nan 8.150 nan 0.000 0.444 828 N N -0.077 118.574 118.700 -0.082 0.000 2.398 828 N HA 0.130 4.869 4.740 -0.000 0.000 0.188 828 N C 1.405 176.911 175.510 -0.007 0.000 1.122 828 N CA 0.830 53.862 53.050 -0.031 0.000 0.866 828 N CB -0.134 38.325 38.487 -0.048 0.000 0.970 828 N HN 0.455 nan 8.380 nan 0.000 0.462 829 A N 0.101 122.921 122.820 -0.000 0.000 2.216 829 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 829 A C 1.392 178.977 177.584 0.002 0.000 1.160 829 A CA 0.706 52.746 52.037 0.006 0.000 0.725 829 A CB -0.362 18.650 19.000 0.021 0.000 0.784 829 A HN 0.195 nan 8.150 nan 0.000 0.472 830 T N -1.279 113.284 114.554 0.016 0.000 2.913 830 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 830 T C 0.813 175.475 174.700 -0.063 0.000 1.008 830 T CA -0.393 61.700 62.100 -0.011 0.000 1.067 830 T CB 0.658 69.572 68.868 0.077 0.000 0.996 830 T HN 0.237 nan 8.240 nan 0.000 0.513 831 E N 2.058 122.136 120.200 -0.204 0.000 2.481 831 E HA 0.099 4.448 4.350 -0.000 0.000 0.195 831 E C -0.011 176.479 176.600 -0.184 0.000 1.047 831 E CA 0.143 56.412 56.400 -0.219 0.000 0.867 831 E CB 0.009 29.536 29.700 -0.288 0.000 0.858 831 E HN 0.525 nan 8.360 nan 0.000 0.513 832 F N 0.210 120.176 119.950 0.027 0.000 2.375 832 F HA 0.466 4.993 4.527 -0.000 0.000 0.313 832 F C 1.515 177.329 175.800 0.023 0.000 1.176 832 F CA -0.412 57.601 58.000 0.023 0.000 1.142 832 F CB 1.046 40.058 39.000 0.019 0.000 1.275 832 F HN -0.134 nan 8.300 nan 0.000 0.544 833 G N 0.853 109.790 108.800 0.229 0.000 5.374 833 G HA2 0.253 4.213 3.960 -0.000 0.000 0.198 833 G HA3 0.253 4.213 3.960 -0.000 0.000 0.198 833 G C -0.083 174.750 174.900 -0.113 0.000 0.812 833 G CA -0.196 44.950 45.100 0.077 0.000 0.614 833 G HN 0.554 nan 8.290 nan 0.000 0.357 834 L N 0.514 121.669 121.223 -0.113 0.000 2.121 834 L HA 0.828 5.168 4.340 -0.000 0.000 0.200 834 L C 1.170 177.830 176.870 -0.350 0.000 1.077 834 L CA 2.019 56.709 54.840 -0.249 0.000 0.766 834 L CB 0.037 41.989 42.059 -0.177 0.000 0.931 834 L HN 0.428 nan 8.230 nan 0.000 0.452 835 A N -2.007 120.690 122.820 -0.205 0.000 2.552 835 A HA 0.844 5.163 4.320 -0.000 0.000 0.288 835 A C -0.911 176.632 177.584 -0.068 0.000 1.193 835 A CA 0.188 52.094 52.037 -0.218 0.000 0.713 835 A CB 1.160 20.088 19.000 -0.119 0.000 1.305 835 A HN 0.364 nan 8.150 nan 0.000 0.424 836 S N -1.878 113.792 115.700 -0.050 0.000 2.627 836 S HA 0.806 5.276 4.470 -0.000 0.000 0.268 836 S C -0.489 174.208 174.600 0.161 0.000 1.130 836 S CA -0.124 58.124 58.200 0.080 0.000 0.819 836 S CB 0.790 63.979 63.200 -0.019 0.000 1.100 836 S HN 2.478 nan 8.310 nan 0.000 0.465 837 G N -0.814 108.126 108.800 0.233 0.000 2.698 837 G HA2 0.714 4.674 3.960 -0.000 0.000 0.293 837 G HA3 0.714 4.674 3.960 -0.000 0.000 0.293 837 G C -1.950 173.001 174.900 0.085 0.000 1.437 837 G CA -0.329 44.931 45.100 0.266 0.000 0.852 837 G HN 1.616 nan 8.290 nan 0.000 0.499 838 V N 0.682 120.676 119.914 0.134 0.000 2.733 838 V HA 0.777 4.897 4.120 -0.000 0.000 0.306 838 V C -1.736 174.581 176.094 0.372 0.000 1.084 838 V CA -1.002 61.384 62.300 0.143 0.000 0.905 838 V CB 1.578 33.538 31.823 0.228 0.000 1.010 838 V HN 0.567 nan 8.190 nan 0.000 0.424 839 F N 4.396 124.489 119.950 0.239 0.000 2.402 839 F HA 0.849 5.376 4.527 -0.000 0.000 0.355 839 F C 0.387 176.368 175.800 0.302 0.000 1.123 839 F CA -0.715 57.418 58.000 0.221 0.000 1.021 839 F CB 1.592 40.692 39.000 0.167 0.000 1.160 839 F HN 0.569 nan 8.300 nan 0.000 0.451 840 T N 2.711 117.512 114.554 0.412 0.000 2.977 840 T HA 0.307 4.657 4.350 -0.000 0.000 0.345 840 T C 0.474 175.270 174.700 0.161 0.000 1.562 840 T CA -0.610 61.660 62.100 0.284 0.000 1.090 840 T CB 1.206 70.189 68.868 0.193 0.000 1.383 840 T HN 0.706 nan 8.240 nan 0.000 0.484 841 R N 1.086 121.653 120.500 0.111 0.000 2.297 841 R HA 0.110 4.450 4.340 -0.000 0.000 0.197 841 R C 0.033 176.356 176.300 0.040 0.000 0.943 841 R CA -0.037 56.104 56.100 0.069 0.000 1.038 841 R CB 0.180 30.514 30.300 0.057 0.000 0.957 841 R HN 0.492 nan 8.270 nan 0.000 0.484 842 D N 1.360 121.771 120.400 0.018 0.000 2.339 842 D HA -0.003 4.636 4.640 -0.000 0.000 0.241 842 D C 0.980 177.273 176.300 -0.012 0.000 1.183 842 D CA -0.055 53.934 54.000 -0.018 0.000 0.859 842 D CB 0.844 41.601 40.800 -0.072 0.000 1.067 842 D HN 0.018 nan 8.370 nan 0.000 0.484 843 I N 4.358 124.929 120.570 0.002 0.000 2.208 843 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 843 I C 1.331 177.453 176.117 0.008 0.000 1.097 843 I CA 1.064 62.372 61.300 0.013 0.000 1.363 843 I CB 0.179 38.187 38.000 0.014 0.000 1.051 843 I HN 0.322 nan 8.210 nan 0.000 0.413 844 N N 1.065 119.758 118.700 -0.011 0.000 2.142 844 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 844 N C 1.762 177.269 175.510 -0.004 0.000 1.023 844 N CA 1.182 54.225 53.050 -0.012 0.000 0.852 844 N CB -0.333 38.129 38.487 -0.041 0.000 0.998 844 N HN 0.402 nan 8.380 nan 0.000 0.424 845 K N 0.776 121.138 120.400 -0.063 0.000 2.026 845 K HA 0.020 4.339 4.320 -0.000 0.000 0.208 845 K C 2.028 178.631 176.600 0.005 0.000 1.048 845 K CA 1.119 57.343 56.287 -0.104 0.000 0.929 845 K CB -0.124 32.163 32.500 -0.355 0.000 0.713 845 K HN 0.115 nan 8.250 nan 0.000 0.439 846 A N 1.406 124.236 122.820 0.017 0.000 1.883 846 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 846 A C 2.117 179.747 177.584 0.076 0.000 1.186 846 A CA 1.409 53.491 52.037 0.074 0.000 0.624 846 A CB -0.680 18.367 19.000 0.079 0.000 0.822 846 A HN 0.198 nan 8.150 nan 0.000 0.444 847 L N -2.461 118.804 121.223 0.070 0.000 2.056 847 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 847 L C 2.607 179.525 176.870 0.081 0.000 1.078 847 L CA 1.660 56.539 54.840 0.064 0.000 0.749 847 L CB -0.662 41.431 42.059 0.057 0.000 0.901 847 L HN 0.575 nan 8.230 nan 0.000 0.433 848 Y N 0.456 120.748 120.300 -0.014 0.000 2.145 848 Y HA -0.238 4.311 4.550 -0.000 0.000 0.286 848 Y C 2.442 178.340 175.900 -0.004 0.000 1.145 848 Y CA 1.659 59.751 58.100 -0.014 0.000 1.148 848 Y CB -0.343 38.101 38.460 -0.028 0.000 0.981 848 Y HN -0.182 nan 8.280 nan 0.000 0.507 849 V N 0.282 120.223 119.914 0.045 0.000 2.332 849 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 849 V C 2.651 178.702 176.094 -0.071 0.000 1.055 849 V CA 2.268 64.558 62.300 -0.017 0.000 1.038 849 V CB -1.251 30.654 31.823 0.137 0.000 0.651 849 V HN 0.672 nan 8.190 nan 0.000 0.450 850 S N -0.333 115.349 115.700 -0.030 0.000 2.382 850 S HA -0.244 4.226 4.470 -0.000 0.000 0.228 850 S C 1.671 176.225 174.600 -0.076 0.000 1.027 850 S CA 1.589 59.764 58.200 -0.042 0.000 0.991 850 S CB -0.530 62.661 63.200 -0.015 0.000 0.823 850 S HN 0.570 nan 8.310 nan 0.000 0.469 851 D N 1.684 122.018 120.400 -0.110 0.000 2.117 851 D HA -0.012 4.627 4.640 -0.000 0.000 0.197 851 D C 1.966 178.168 176.300 -0.163 0.000 0.987 851 D CA 1.096 55.018 54.000 -0.130 0.000 0.829 851 D CB -0.109 40.593 40.800 -0.163 0.000 0.961 851 D HN 0.352 nan 8.370 nan 0.000 0.460 852 K N -0.014 120.231 120.400 -0.258 0.000 2.361 852 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 852 K C 0.710 177.225 176.600 -0.141 0.000 1.039 852 K CA -0.102 56.034 56.287 -0.252 0.000 1.001 852 K CB 0.192 32.440 32.500 -0.420 0.000 0.795 852 K HN 0.211 nan 8.250 nan 0.000 0.495 853 L N 2.911 124.069 121.223 -0.108 0.000 2.410 853 L HA 0.007 4.347 4.340 -0.000 0.000 0.273 853 L C 0.621 177.486 176.870 -0.008 0.000 1.144 853 L CA -0.020 54.781 54.840 -0.065 0.000 0.863 853 L CB 0.469 42.488 42.059 -0.065 0.000 1.140 853 L HN -0.085 nan 8.230 nan 0.000 0.463 854 Q N 4.376 124.189 119.800 0.021 0.000 3.150 854 Q HA 0.446 4.786 4.340 -0.000 0.000 0.297 854 Q C -0.410 175.685 176.000 0.158 0.000 1.382 854 Q CA -0.084 55.793 55.803 0.124 0.000 1.059 854 Q CB 0.827 29.616 28.738 0.085 0.000 1.559 854 Q HN 0.627 nan 8.270 nan 0.000 0.548 855 A N -1.122 121.724 122.820 0.043 0.000 2.549 855 A HA 0.687 5.007 4.320 -0.000 0.000 0.297 855 A C 0.984 178.066 177.584 -0.838 0.000 1.061 855 A CA -0.251 51.603 52.037 -0.305 0.000 0.690 855 A CB 1.139 20.009 19.000 -0.217 0.000 1.287 855 A HN 0.374 nan 8.150 nan 0.000 0.402 856 G N 0.026 108.040 108.800 -1.309 0.000 2.448 856 G HA2 0.283 4.242 3.960 -0.000 0.000 0.219 856 G HA3 0.283 4.242 3.960 -0.000 0.000 0.219 856 G C 0.506 174.975 174.900 -0.720 0.000 1.127 856 G CA 1.682 45.953 45.100 -1.382 0.000 0.766 856 G HN 0.838 nan 8.290 nan 0.000 0.552 857 T N -0.465 113.703 114.554 -0.643 0.000 2.886 857 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 857 T C -1.140 173.178 174.700 -0.636 0.000 1.012 857 T CA -0.423 61.289 62.100 -0.648 0.000 0.982 857 T CB 2.810 71.185 68.868 -0.823 0.000 1.018 857 T HN -0.107 nan 8.240 nan 0.000 0.451 858 V N 3.799 123.367 119.914 -0.578 0.000 2.444 858 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 858 V C -1.042 174.773 176.094 -0.466 0.000 1.022 858 V CA -0.896 61.154 62.300 -0.415 0.000 0.850 858 V CB 0.951 32.657 31.823 -0.194 0.000 0.992 858 V HN 0.773 nan 8.190 nan 0.000 0.426 859 F N 4.860 124.744 119.950 -0.110 0.000 2.404 859 F HA 0.617 5.144 4.527 -0.000 0.000 0.339 859 F C 0.308 176.156 175.800 0.079 0.000 1.105 859 F CA -0.802 57.165 58.000 -0.056 0.000 1.087 859 F CB 1.196 40.105 39.000 -0.150 0.000 1.143 859 F HN 0.237 nan 8.300 nan 0.000 0.491 860 I N 3.889 124.633 120.570 0.289 0.000 2.382 860 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 860 I C -0.308 175.974 176.117 0.275 0.000 1.002 860 I CA -0.674 60.785 61.300 0.265 0.000 1.135 860 I CB 1.060 39.156 38.000 0.161 0.000 1.288 860 I HN 0.589 nan 8.210 nan 0.000 0.448 861 N N 2.262 121.193 118.700 0.385 0.000 2.714 861 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 861 N C -0.157 175.382 175.510 0.048 0.000 1.117 861 N CA 1.416 54.573 53.050 0.180 0.000 0.719 861 N CB -0.789 37.750 38.487 0.087 0.000 1.081 861 N HN 0.804 nan 8.380 nan 0.000 0.557 862 T N -1.944 112.755 114.554 0.242 0.000 2.711 862 T HA 0.640 4.990 4.350 -0.000 0.000 0.302 862 T C -2.216 172.642 174.700 0.263 0.000 1.373 862 T CA -0.513 61.666 62.100 0.132 0.000 1.000 862 T CB 1.418 70.310 68.868 0.040 0.000 1.483 862 T HN 0.113 nan 8.240 nan 0.000 0.499 863 Y N 0.790 120.965 120.300 -0.209 0.000 2.592 863 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 863 Y C 0.230 175.621 175.900 -0.848 0.000 1.136 863 Y CA -0.477 57.246 58.100 -0.629 0.000 1.042 863 Y CB 1.511 39.872 38.460 -0.165 0.000 1.325 863 Y HN 0.836 nan 8.280 nan 0.000 0.457 864 N N 1.247 119.130 118.700 -1.361 0.000 2.782 864 N HA -0.212 4.527 4.740 -0.000 0.000 0.251 864 N C -0.638 174.556 175.510 -0.528 0.000 1.101 864 N CA 1.133 53.775 53.050 -0.681 0.000 0.764 864 N CB -0.697 37.527 38.487 -0.439 0.000 1.122 864 N HN 0.407 nan 8.380 nan 0.000 0.561 865 K N 1.927 121.959 120.400 -0.613 0.000 2.333 865 K HA 0.184 4.504 4.320 -0.000 0.000 0.241 865 K C -0.017 176.652 176.600 0.115 0.000 1.193 865 K CA -0.191 56.008 56.287 -0.147 0.000 1.142 865 K CB -0.374 32.084 32.500 -0.069 0.000 1.731 865 K HN 0.258 nan 8.250 nan 0.000 0.344 866 T N -0.854 113.741 114.554 0.069 0.000 2.849 866 T HA 0.388 4.738 4.350 -0.000 0.000 0.284 866 T C -0.383 174.305 174.700 -0.020 0.000 1.004 866 T CA -0.803 61.354 62.100 0.096 0.000 1.021 866 T CB 1.271 70.212 68.868 0.122 0.000 1.013 866 T HN 0.430 nan 8.240 nan 0.000 0.527 867 D N 0.173 120.513 120.400 -0.100 0.000 2.837 867 D HA 0.149 4.789 4.640 -0.000 0.000 0.220 867 D C 1.334 177.442 176.300 -0.321 0.000 1.236 867 D CA -0.651 53.250 54.000 -0.165 0.000 0.838 867 D CB 2.556 43.279 40.800 -0.128 0.000 1.647 867 D HN 0.465 nan 8.370 nan 0.000 0.486 868 V N 1.475 121.155 119.914 -0.390 0.000 2.688 868 V HA -0.050 4.070 4.120 -0.000 0.000 0.256 868 V C 1.691 177.195 176.094 -0.983 0.000 1.084 868 V CA 1.977 63.905 62.300 -0.620 0.000 1.103 868 V CB -0.911 30.596 31.823 -0.527 0.000 0.688 868 V HN 0.527 nan 8.190 nan 0.000 0.480 869 A N -0.017 122.306 122.820 -0.828 0.000 2.218 869 A HA 0.722 5.042 4.320 -0.000 0.000 0.209 869 A C 1.373 178.797 177.584 -0.266 0.000 1.168 869 A CA 0.589 52.214 52.037 -0.688 0.000 0.804 869 A CB -0.364 18.427 19.000 -0.349 0.000 0.834 869 A HN 1.046 nan 8.150 nan 0.000 0.482 870 A N 1.614 124.286 122.820 -0.246 0.000 2.258 870 A HA 0.648 4.968 4.320 -0.000 0.000 0.316 870 A C -2.807 174.710 177.584 -0.111 0.000 1.279 870 A CA -1.897 50.062 52.037 -0.129 0.000 0.876 870 A CB 0.428 19.369 19.000 -0.099 0.000 1.170 870 A HN 0.158 nan 8.150 nan 0.000 0.520 871 P HA 0.229 nan 4.420 nan 0.000 0.269 871 P C -0.924 176.376 177.300 -0.000 0.000 1.209 871 P CA 0.249 63.337 63.100 -0.021 0.000 0.776 871 P CB 0.375 32.078 31.700 0.005 0.000 0.876 872 F N 2.011 121.867 119.950 -0.157 0.000 2.612 872 F HA 0.648 5.175 4.527 -0.000 0.000 0.332 872 F C -0.351 175.404 175.800 -0.074 0.000 1.167 872 F CA 0.140 58.051 58.000 -0.148 0.000 0.970 872 F CB 1.547 40.412 39.000 -0.225 0.000 1.234 872 F HN 0.564 nan 8.300 nan 0.000 0.453 873 G N 2.745 111.389 108.800 -0.260 0.000 2.489 873 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 873 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 873 G C -1.460 173.275 174.900 -0.275 0.000 1.487 873 G CA -0.287 44.739 45.100 -0.124 0.000 0.795 873 G HN 0.928 nan 8.290 nan 0.000 0.513 874 G N -1.262 107.452 108.800 -0.143 0.000 2.491 874 G HA2 0.717 4.677 3.960 -0.000 0.000 0.327 874 G HA3 0.717 4.677 3.960 -0.000 0.000 0.327 874 G C -1.072 173.884 174.900 0.092 0.000 1.189 874 G CA -0.610 44.388 45.100 -0.171 0.000 0.956 874 G HN 0.361 nan 8.290 nan 0.000 0.491 875 F N -0.364 119.587 119.950 0.001 0.000 2.572 875 F HA 0.599 5.126 4.527 -0.000 0.000 0.342 875 F C 1.163 176.998 175.800 0.058 0.000 1.064 875 F CA -1.267 56.751 58.000 0.030 0.000 1.008 875 F CB 1.323 40.324 39.000 0.001 0.000 1.303 875 F HN 0.645 nan 8.300 nan 0.000 0.492 876 K N -0.289 120.273 120.400 0.271 0.000 1.867 876 K HA -0.308 4.012 4.320 -0.000 0.000 0.140 876 K C 0.819 177.516 176.600 0.162 0.000 1.408 876 K CA 1.622 58.007 56.287 0.163 0.000 0.461 876 K CB -0.814 31.764 32.500 0.130 0.000 0.594 876 K HN 0.675 nan 8.250 nan 0.000 0.888 877 Q N 0.632 120.513 119.800 0.136 0.000 2.444 877 Q HA 0.070 4.410 4.340 -0.000 0.000 0.206 877 Q C 1.270 177.438 176.000 0.280 0.000 0.948 877 Q CA 0.422 56.314 55.803 0.148 0.000 0.946 877 Q CB 0.233 28.989 28.738 0.030 0.000 1.027 877 Q HN 0.333 nan 8.270 nan 0.000 0.513 878 S N -0.081 115.788 115.700 0.281 0.000 2.522 878 S HA 0.118 4.588 4.470 -0.000 0.000 0.227 878 S C 0.861 175.488 174.600 0.044 0.000 0.986 878 S CA 0.523 58.825 58.200 0.170 0.000 0.929 878 S CB 0.257 63.511 63.200 0.089 0.000 0.769 878 S HN 0.682 nan 8.310 nan 0.000 0.529 879 G N 1.092 109.911 108.800 0.031 0.000 2.378 879 G HA2 0.068 4.028 3.960 -0.000 0.000 0.198 879 G HA3 0.068 4.028 3.960 -0.000 0.000 0.198 879 G C -1.031 173.841 174.900 -0.046 0.000 1.223 879 G CA -0.448 44.537 45.100 -0.192 0.000 1.088 879 G HN 0.659 nan 8.290 nan 0.000 0.530 880 F N -2.123 117.883 119.950 0.093 0.000 2.741 880 F HA 0.814 5.340 4.527 -0.000 0.000 0.311 880 F C 0.459 176.297 175.800 0.062 0.000 1.149 880 F CA -0.303 57.746 58.000 0.083 0.000 0.930 880 F CB 1.093 40.126 39.000 0.055 0.000 1.312 880 F HN 2.516 nan 8.300 nan 0.000 0.450 881 G N 1.597 110.598 108.800 0.335 0.000 2.692 881 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 881 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 881 G C -1.854 173.126 174.900 0.134 0.000 1.243 881 G CA -1.164 44.056 45.100 0.199 0.000 0.782 881 G HN 0.689 nan 8.290 nan 0.000 0.625 882 K N 1.136 121.596 120.400 0.101 0.000 2.207 882 K HA 0.592 4.912 4.320 -0.000 0.000 0.255 882 K C -0.543 176.124 176.600 0.111 0.000 0.941 882 K CA -0.845 55.505 56.287 0.104 0.000 0.825 882 K CB 1.914 34.459 32.500 0.076 0.000 1.119 882 K HN 0.585 nan 8.250 nan 0.000 0.430 883 D N 1.989 122.472 120.400 0.139 0.000 2.217 883 D HA 0.540 5.180 4.640 -0.000 0.000 0.248 883 D C 0.506 176.771 176.300 -0.057 0.000 1.008 883 D CA -0.410 53.629 54.000 0.065 0.000 0.914 883 D CB 1.067 41.927 40.800 0.100 0.000 1.182 883 D HN 0.372 nan 8.370 nan 0.000 0.451 884 L N -0.354 120.846 121.223 -0.039 0.000 0.584 884 L HA -0.111 4.229 4.340 -0.000 0.000 0.356 884 L C 0.717 177.650 176.870 0.105 0.000 0.992 884 L CA 0.422 55.243 54.840 -0.032 0.000 1.223 884 L CB -1.296 40.471 42.059 -0.486 0.000 0.009 884 L HN 0.859 nan 8.230 nan 0.000 0.091 885 G N 0.204 109.014 108.800 0.017 0.000 2.888 885 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.441 885 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.441 885 G C 0.400 175.473 174.900 0.288 0.000 1.461 885 G CA 0.794 45.969 45.100 0.125 0.000 0.897 885 G HN 1.186 nan 8.290 nan 0.000 0.547 886 E N -0.028 120.293 120.200 0.202 0.000 2.097 886 E HA -0.134 4.215 4.350 -0.000 0.000 0.196 886 E C 2.878 179.398 176.600 -0.133 0.000 1.000 886 E CA 2.087 58.361 56.400 -0.210 0.000 0.804 886 E CB -0.372 29.204 29.700 -0.207 0.000 0.740 886 E HN 1.118 nan 8.360 nan 0.000 0.454 887 A N 1.119 123.933 122.820 -0.011 0.000 1.978 887 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 887 A C 2.386 179.984 177.584 0.024 0.000 1.170 887 A CA 1.845 53.880 52.037 -0.003 0.000 0.636 887 A CB -0.773 18.240 19.000 0.022 0.000 0.810 887 A HN 0.437 nan 8.150 nan 0.000 0.448 888 A N -0.200 122.676 122.820 0.092 0.000 1.978 888 A HA -0.079 4.240 4.320 -0.000 0.000 0.220 888 A C 2.095 179.731 177.584 0.087 0.000 1.170 888 A CA 1.507 53.607 52.037 0.104 0.000 0.636 888 A CB -0.608 18.484 19.000 0.153 0.000 0.810 888 A HN 0.511 nan 8.150 nan 0.000 0.448 889 L N -0.115 121.134 121.223 0.043 0.000 2.127 889 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 889 L C 2.043 178.927 176.870 0.023 0.000 1.089 889 L CA 1.142 55.991 54.840 0.014 0.000 0.757 889 L CB -0.672 41.314 42.059 -0.121 0.000 0.899 889 L HN 0.380 nan 8.230 nan 0.000 0.434 890 N N -0.216 118.469 118.700 -0.024 0.000 2.309 890 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 890 N C 1.630 177.104 175.510 -0.059 0.000 1.018 890 N CA 0.864 53.892 53.050 -0.037 0.000 0.876 890 N CB -0.150 38.311 38.487 -0.044 0.000 0.972 890 N HN 0.367 nan 8.380 nan 0.000 0.434 891 E N -0.202 119.935 120.200 -0.106 0.000 2.268 891 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 891 E C 0.512 176.854 176.600 -0.430 0.000 0.995 891 E CA 0.761 56.992 56.400 -0.282 0.000 0.836 891 E CB -0.120 29.330 29.700 -0.417 0.000 0.763 891 E HN 0.539 nan 8.360 nan 0.000 0.491 892 Y N -0.558 119.721 120.300 -0.035 0.000 2.557 892 Y HA 0.317 4.867 4.550 -0.000 0.000 0.247 892 Y C 0.557 176.445 175.900 -0.020 0.000 1.164 892 Y CA -0.111 57.968 58.100 -0.034 0.000 1.218 892 Y CB 0.703 39.131 38.460 -0.054 0.000 1.210 892 Y HN -0.165 nan 8.280 nan 0.000 0.529 893 L N 1.001 122.269 121.223 0.075 0.000 2.323 893 L HA 0.635 4.975 4.340 -0.000 0.000 0.265 893 L C -0.304 176.580 176.870 0.024 0.000 1.012 893 L CA -1.175 53.699 54.840 0.055 0.000 0.820 893 L CB 2.344 44.423 42.059 0.034 0.000 1.334 893 L HN -0.022 nan 8.230 nan 0.000 0.427 894 R N 1.293 121.813 120.500 0.032 0.000 2.854 894 R HA 0.767 5.107 4.340 -0.000 0.000 0.271 894 R C -1.428 174.885 176.300 0.020 0.000 0.996 894 R CA -0.795 55.316 56.100 0.019 0.000 0.961 894 R CB 1.868 32.183 30.300 0.025 0.000 1.182 894 R HN 0.476 nan 8.270 nan 0.000 0.479 895 I N 1.743 122.320 120.570 0.011 0.000 2.362 895 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 895 I C -0.320 175.805 176.117 0.013 0.000 0.994 895 I CA -0.734 60.573 61.300 0.012 0.000 1.158 895 I CB 1.871 39.874 38.000 0.005 0.000 1.315 895 I HN 0.573 nan 8.210 nan 0.000 0.451 896 K N 5.367 125.778 120.400 0.018 0.000 2.240 896 K HA 0.440 4.760 4.320 -0.000 0.000 0.271 896 K C -0.765 175.844 176.600 0.014 0.000 1.018 896 K CA -0.334 55.962 56.287 0.014 0.000 0.874 896 K CB 1.163 33.673 32.500 0.016 0.000 1.098 896 K HN 0.503 nan 8.250 nan 0.000 0.458 897 T N 3.256 117.814 114.554 0.008 0.000 2.771 897 T HA 0.268 4.617 4.350 -0.000 0.000 0.291 897 T C -0.674 174.026 174.700 -0.001 0.000 0.954 897 T CA -0.544 61.564 62.100 0.013 0.000 1.045 897 T CB 1.096 69.970 68.868 0.011 0.000 0.917 897 T HN 0.305 nan 8.240 nan 0.000 0.484 898 V N 4.021 123.943 119.914 0.014 0.000 2.409 898 V HA 0.496 4.615 4.120 -0.000 0.000 0.291 898 V C 0.120 176.215 176.094 0.002 0.000 1.020 898 V CA -0.698 61.574 62.300 -0.046 0.000 0.848 898 V CB 1.847 33.638 31.823 -0.054 0.000 0.990 898 V HN 0.936 nan 8.190 nan 0.000 0.430 899 T N 5.765 120.274 114.554 -0.075 0.000 2.840 899 T HA 0.653 5.003 4.350 -0.000 0.000 0.287 899 T C -0.764 173.938 174.700 0.003 0.000 0.991 899 T CA -0.146 61.987 62.100 0.055 0.000 0.964 899 T CB 0.547 69.443 68.868 0.047 0.000 0.954 899 T HN 0.271 nan 8.240 nan 0.000 0.438 900 F N 1.825 121.822 119.950 0.079 0.000 2.425 900 F HA 0.549 5.076 4.527 -0.000 0.000 0.331 900 F C 0.775 176.670 175.800 0.157 0.000 1.085 900 F CA -1.205 56.864 58.000 0.114 0.000 1.028 900 F CB 1.221 40.303 39.000 0.137 0.000 1.177 900 F HN 0.428 nan 8.300 nan 0.000 0.487 901 E N 2.538 122.934 120.200 0.325 0.000 2.199 901 E HA 0.490 4.839 4.350 -0.000 0.000 0.269 901 E C -1.680 175.104 176.600 0.307 0.000 0.899 901 E CA -0.541 55.992 56.400 0.222 0.000 0.772 901 E CB 1.723 31.477 29.700 0.090 0.000 1.155 901 E HN 0.621 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 0.038 0.000 1.050 902 Y HN 0.000 nan 8.280 nan 0.000 0.758