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 2d24_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 501 A HA 0.000 nan 4.320 nan 0.000 0.244 501 A C 0.000 177.579 177.584 -0.008 0.000 1.274 501 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 501 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 502 E N -0.692 119.502 120.200 -0.010 0.000 2.744 502 E HA 0.115 4.465 4.350 -0.000 0.000 0.210 502 E C 0.555 177.145 176.600 -0.016 0.000 0.950 502 E CA 0.929 57.319 56.400 -0.017 0.000 1.282 502 E CB 0.479 30.171 29.700 -0.014 0.000 1.123 502 E HN 0.659 nan 8.360 nan 0.000 0.544 503 S N -0.567 115.130 115.700 -0.005 0.000 2.540 503 S HA 0.092 4.562 4.470 -0.000 0.000 0.218 503 S C 0.730 175.354 174.600 0.039 0.000 0.977 503 S CA 0.163 58.372 58.200 0.015 0.000 0.918 503 S CB 0.400 63.608 63.200 0.014 0.000 0.806 503 S HN 0.195 nan 8.310 nan 0.000 0.496 504 T N -1.206 113.350 114.554 0.003 0.000 2.916 504 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 504 T C 0.911 175.551 174.700 -0.099 0.000 1.055 504 T CA -0.966 61.133 62.100 -0.002 0.000 1.009 504 T CB 1.186 70.040 68.868 -0.025 0.000 1.118 504 T HN 0.011 nan 8.240 nan 0.000 0.497 505 L N 1.291 122.392 121.223 -0.204 0.000 2.012 505 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 505 L C 2.990 179.788 176.870 -0.119 0.000 1.073 505 L CA 1.903 56.514 54.840 -0.382 0.000 0.748 505 L CB -1.093 40.532 42.059 -0.724 0.000 0.891 505 L HN 0.983 nan 8.230 nan 0.000 0.431 506 G N -0.431 108.368 108.800 -0.001 0.000 2.418 506 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 506 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 506 G C 1.772 176.722 174.900 0.083 0.000 1.158 506 G CA 0.847 46.029 45.100 0.137 0.000 0.771 506 G HN 0.471 nan 8.290 nan 0.000 0.545 507 A N 1.082 123.917 122.820 0.024 0.000 1.898 507 A HA 0.308 4.628 4.320 -0.000 0.000 0.216 507 A C 2.807 180.397 177.584 0.011 0.000 1.181 507 A CA 2.185 54.232 52.037 0.017 0.000 0.620 507 A CB -0.737 18.262 19.000 -0.001 0.000 0.819 507 A HN 0.756 nan 8.150 nan 0.000 0.442 508 A N -0.066 122.745 122.820 -0.015 0.000 1.877 508 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 508 A C 2.508 180.098 177.584 0.009 0.000 1.186 508 A CA 2.041 54.063 52.037 -0.025 0.000 0.620 508 A CB -1.042 17.909 19.000 -0.081 0.000 0.822 508 A HN 1.060 nan 8.150 nan 0.000 0.443 509 A N -0.111 122.738 122.820 0.047 0.000 1.933 509 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 509 A C 2.427 180.054 177.584 0.072 0.000 1.175 509 A CA 1.979 54.074 52.037 0.096 0.000 0.628 509 A CB -0.947 18.180 19.000 0.212 0.000 0.814 509 A HN 1.126 nan 8.150 nan 0.000 0.444 510 A N -0.820 122.045 122.820 0.075 0.000 2.125 510 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 510 A C 1.946 179.553 177.584 0.038 0.000 1.156 510 A CA 1.400 53.475 52.037 0.063 0.000 0.671 510 A CB -0.494 18.542 19.000 0.061 0.000 0.794 510 A HN 0.677 nan 8.150 nan 0.000 0.459 511 Q N -0.122 119.695 119.800 0.027 0.000 2.500 511 Q HA -0.062 4.278 4.340 -0.000 0.000 0.213 511 Q C 1.326 177.334 176.000 0.014 0.000 0.974 511 Q CA 1.188 57.000 55.803 0.016 0.000 0.918 511 Q CB -0.058 28.684 28.738 0.007 0.000 0.980 511 Q HN 0.792 nan 8.270 nan 0.000 0.505 512 S N -2.528 113.183 115.700 0.019 0.000 2.749 512 S HA 0.361 4.831 4.470 -0.000 0.000 0.246 512 S C 0.977 175.586 174.600 0.015 0.000 1.023 512 S CA 0.051 58.258 58.200 0.013 0.000 1.012 512 S CB 1.011 64.215 63.200 0.008 0.000 0.942 512 S HN 0.368 nan 8.310 nan 0.000 0.531 513 G N 1.554 110.370 108.800 0.026 0.000 2.153 513 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 513 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 513 G C 0.053 174.978 174.900 0.041 0.000 0.994 513 G CA 0.209 45.330 45.100 0.035 0.000 0.698 513 G HN 0.640 nan 8.290 nan 0.000 0.521 514 R N -1.188 119.332 120.500 0.032 0.000 2.875 514 R HA 0.728 5.068 4.340 -0.000 0.000 0.251 514 R C 0.005 176.351 176.300 0.077 0.000 1.123 514 R CA -0.730 55.364 56.100 -0.010 0.000 1.064 514 R CB 0.913 31.162 30.300 -0.084 0.000 1.205 514 R HN 0.457 nan 8.270 nan 0.000 0.503 515 Y N -1.432 118.922 120.300 0.090 0.000 2.587 515 Y HA 0.697 5.247 4.550 -0.000 0.000 0.337 515 Y C -1.196 174.808 175.900 0.173 0.000 1.065 515 Y CA -1.755 56.418 58.100 0.121 0.000 1.126 515 Y CB 1.085 39.591 38.460 0.077 0.000 1.279 515 Y HN 0.430 nan 8.280 nan 0.000 0.489 516 F N 1.517 121.711 119.950 0.407 0.000 2.612 516 F HA 0.762 5.289 4.527 -0.000 0.000 0.332 516 F C -0.042 176.082 175.800 0.541 0.000 1.167 516 F CA -0.760 57.471 58.000 0.385 0.000 0.970 516 F CB 1.433 40.585 39.000 0.254 0.000 1.234 516 F HN 0.950 nan 8.300 nan 0.000 0.453 517 G N 2.012 111.033 108.800 0.368 0.000 2.932 517 G HA2 0.635 4.595 3.960 -0.000 0.000 0.283 517 G HA3 0.635 4.595 3.960 -0.000 0.000 0.283 517 G C -1.295 173.479 174.900 -0.210 0.000 1.336 517 G CA -0.676 44.550 45.100 0.208 0.000 1.056 517 G HN 0.614 nan 8.290 nan 0.000 0.522 518 T N -2.038 112.218 114.554 -0.498 0.000 2.787 518 T HA 0.629 4.979 4.350 -0.000 0.000 0.297 518 T C -1.022 173.415 174.700 -0.439 0.000 1.221 518 T CA 0.155 61.843 62.100 -0.687 0.000 1.006 518 T CB 1.385 69.390 68.868 -1.438 0.000 1.328 518 T HN 1.224 nan 8.240 nan 0.000 0.509 519 A N 2.790 125.309 122.820 -0.502 0.000 2.274 519 A HA 0.707 5.027 4.320 -0.000 0.000 0.309 519 A C -0.440 176.863 177.584 -0.467 0.000 1.226 519 A CA -0.576 51.059 52.037 -0.669 0.000 0.853 519 A CB 0.052 18.179 19.000 -1.456 0.000 1.146 519 A HN 0.655 nan 8.150 nan 0.000 0.518 520 I N 1.845 122.214 120.570 -0.335 0.000 2.412 520 I HA 0.506 4.676 4.170 -0.000 0.000 0.296 520 I C 0.534 176.549 176.117 -0.171 0.000 0.987 520 I CA -0.267 60.911 61.300 -0.203 0.000 1.180 520 I CB 1.479 39.349 38.000 -0.216 0.000 1.340 520 I HN 0.705 nan 8.210 nan 0.000 0.455 521 A N 4.089 126.838 122.820 -0.117 0.000 2.271 521 A HA 0.459 4.779 4.320 -0.000 0.000 0.317 521 A C 1.010 178.482 177.584 -0.187 0.000 1.245 521 A CA -0.287 51.651 52.037 -0.165 0.000 0.857 521 A CB 0.726 19.604 19.000 -0.204 0.000 1.175 521 A HN 0.831 nan 8.150 nan 0.000 0.512 522 S N 2.578 118.206 115.700 -0.121 0.000 2.387 522 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 522 S C 1.739 176.259 174.600 -0.132 0.000 1.035 522 S CA 1.670 59.809 58.200 -0.102 0.000 1.014 522 S CB -0.629 62.557 63.200 -0.024 0.000 0.836 522 S HN 1.244 nan 8.310 nan 0.000 0.466 523 G N 1.157 109.874 108.800 -0.138 0.000 2.625 523 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 523 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 523 G C 1.323 176.088 174.900 -0.223 0.000 1.132 523 G CA 0.283 45.298 45.100 -0.142 0.000 0.782 523 G HN 0.618 nan 8.290 nan 0.000 0.538 524 K N -0.409 119.770 120.400 -0.369 0.000 2.355 524 K HA 0.338 4.658 4.320 -0.000 0.000 0.198 524 K C 1.775 178.093 176.600 -0.471 0.000 1.039 524 K CA -0.331 55.600 56.287 -0.593 0.000 1.075 524 K CB 0.297 32.052 32.500 -1.241 0.000 0.870 524 K HN 0.202 nan 8.250 nan 0.000 0.540 525 L N 0.445 121.494 121.223 -0.290 0.000 2.456 525 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 525 L C 1.930 178.759 176.870 -0.068 0.000 1.148 525 L CA 0.930 55.657 54.840 -0.189 0.000 0.825 525 L CB -0.298 41.609 42.059 -0.252 0.000 0.937 525 L HN 0.297 nan 8.230 nan 0.000 0.450 526 G N -1.705 107.050 108.800 -0.075 0.000 2.985 526 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.209 526 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.209 526 G C 0.293 175.185 174.900 -0.014 0.000 1.165 526 G CA -0.185 44.900 45.100 -0.025 0.000 0.776 526 G HN 0.152 nan 8.290 nan 0.000 0.541 527 D N 0.526 120.908 120.400 -0.029 0.000 2.380 527 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 527 D C 1.288 177.629 176.300 0.070 0.000 1.154 527 D CA -0.173 53.829 54.000 0.002 0.000 0.859 527 D CB 1.296 42.072 40.800 -0.041 0.000 1.045 527 D HN -0.057 nan 8.370 nan 0.000 0.495 528 S N 2.564 118.297 115.700 0.055 0.000 2.383 528 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 528 S C 1.914 176.551 174.600 0.061 0.000 1.030 528 S CA 1.271 59.510 58.200 0.064 0.000 1.002 528 S CB 0.059 63.285 63.200 0.043 0.000 0.829 528 S HN 0.694 nan 8.310 nan 0.000 0.467 529 A N 0.258 123.110 122.820 0.052 0.000 1.902 529 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 529 A C 1.931 179.539 177.584 0.040 0.000 1.181 529 A CA 1.510 53.566 52.037 0.032 0.000 0.623 529 A CB -0.897 18.120 19.000 0.029 0.000 0.818 529 A HN 0.591 nan 8.150 nan 0.000 0.443 530 Y N 1.802 122.063 120.300 -0.065 0.000 2.114 530 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 530 Y C 2.934 178.789 175.900 -0.076 0.000 1.143 530 Y CA 2.741 60.784 58.100 -0.094 0.000 1.135 530 Y CB -0.647 37.743 38.460 -0.117 0.000 0.980 530 Y HN 0.440 nan 8.280 nan 0.000 0.499 531 T N -3.674 110.930 114.554 0.084 0.000 2.867 531 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 531 T C 1.802 176.586 174.700 0.141 0.000 1.057 531 T CA 1.654 63.825 62.100 0.119 0.000 1.136 531 T CB -1.013 68.027 68.868 0.287 0.000 0.874 531 T HN 0.331 nan 8.240 nan 0.000 0.466 532 T N 2.202 116.788 114.554 0.054 0.000 2.708 532 T HA 0.082 4.432 4.350 -0.000 0.000 0.266 532 T C 1.900 176.567 174.700 -0.055 0.000 1.037 532 T CA 1.396 63.504 62.100 0.013 0.000 1.146 532 T CB -0.432 68.429 68.868 -0.011 0.000 0.865 532 T HN 0.407 nan 8.240 nan 0.000 0.435 533 I N 1.202 121.679 120.570 -0.155 0.000 2.163 533 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 533 I C 2.952 178.945 176.117 -0.207 0.000 1.081 533 I CA 1.116 62.229 61.300 -0.312 0.000 1.353 533 I CB -0.533 37.116 38.000 -0.585 0.000 1.054 533 I HN 0.180 nan 8.210 nan 0.000 0.407 534 A N -0.179 122.569 122.820 -0.119 0.000 1.908 534 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 534 A C 2.505 180.314 177.584 0.375 0.000 1.181 534 A CA 2.391 54.531 52.037 0.171 0.000 0.627 534 A CB -0.856 18.049 19.000 -0.157 0.000 0.818 534 A HN 0.403 nan 8.150 nan 0.000 0.445 535 S N -1.032 114.860 115.700 0.320 0.000 2.383 535 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 535 S C 2.219 176.831 174.600 0.020 0.000 1.026 535 S CA 1.387 59.670 58.200 0.138 0.000 0.981 535 S CB -0.351 62.871 63.200 0.038 0.000 0.818 535 S HN 0.623 nan 8.310 nan 0.000 0.472 536 R N 0.285 120.775 120.500 -0.017 0.000 2.073 536 R HA 0.007 4.347 4.340 -0.000 0.000 0.229 536 R C 1.710 177.946 176.300 -0.107 0.000 1.120 536 R CA 1.484 57.547 56.100 -0.062 0.000 0.967 536 R CB -0.104 30.152 30.300 -0.073 0.000 0.862 536 R HN 0.360 nan 8.270 nan 0.000 0.436 537 E N -0.519 119.540 120.200 -0.234 0.000 2.340 537 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 537 E C -0.254 176.008 176.600 -0.563 0.000 0.996 537 E CA 0.441 56.559 56.400 -0.471 0.000 0.869 537 E CB 0.298 29.524 29.700 -0.789 0.000 0.835 537 E HN 0.136 nan 8.360 nan 0.000 0.493 538 F N 1.611 121.643 119.950 0.137 0.000 2.522 538 F HA 0.247 4.774 4.527 -0.000 0.000 0.324 538 F C 0.950 176.818 175.800 0.113 0.000 1.077 538 F CA -1.188 56.919 58.000 0.178 0.000 0.944 538 F CB 0.959 40.069 39.000 0.184 0.000 1.175 538 F HN -0.183 nan 8.300 nan 0.000 0.468 539 N N 0.844 119.735 118.700 0.318 0.000 2.235 539 N HA 0.326 5.066 4.740 -0.000 0.000 0.231 539 N C -0.685 174.877 175.510 0.088 0.000 1.177 539 N CA -0.080 53.066 53.050 0.161 0.000 0.874 539 N CB 0.736 39.304 38.487 0.136 0.000 1.097 539 N HN 0.570 nan 8.380 nan 0.000 0.518 540 M N 0.423 120.082 119.600 0.099 0.000 2.378 540 M HA 0.553 5.033 4.480 -0.000 0.000 0.289 540 M C -2.200 174.062 176.300 -0.063 0.000 1.136 540 M CA -0.805 54.431 55.300 -0.106 0.000 0.917 540 M CB 2.398 34.766 32.600 -0.387 0.000 1.669 540 M HN -0.162 nan 8.290 nan 0.000 0.461 541 V N 3.036 122.884 119.914 -0.111 0.000 2.709 541 V HA 0.797 4.917 4.120 -0.000 0.000 0.308 541 V C -0.705 175.307 176.094 -0.136 0.000 1.062 541 V CA -0.518 61.729 62.300 -0.089 0.000 0.901 541 V CB 2.501 34.334 31.823 0.016 0.000 1.003 541 V HN 0.899 nan 8.190 nan 0.000 0.425 542 T N 3.340 117.803 114.554 -0.152 0.000 2.824 542 T HA 0.663 5.013 4.350 -0.000 0.000 0.282 542 T C -0.029 174.579 174.700 -0.154 0.000 0.993 542 T CA -0.296 61.724 62.100 -0.133 0.000 0.967 542 T CB 1.700 70.530 68.868 -0.064 0.000 0.960 542 T HN 0.948 nan 8.240 nan 0.000 0.441 543 A N 1.913 124.685 122.820 -0.079 0.000 2.409 543 A HA 0.292 4.612 4.320 -0.000 0.000 0.267 543 A C 1.348 178.903 177.584 -0.048 0.000 1.127 543 A CA -0.351 51.655 52.037 -0.052 0.000 0.795 543 A CB 0.027 19.042 19.000 0.026 0.000 1.061 543 A HN 1.064 nan 8.150 nan 0.000 0.502 544 E N 2.026 122.122 120.200 -0.174 0.000 2.110 544 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 544 E C 0.683 177.355 176.600 0.120 0.000 0.988 544 E CA 1.726 57.999 56.400 -0.213 0.000 0.804 544 E CB 0.080 29.571 29.700 -0.349 0.000 0.745 544 E HN 0.805 nan 8.360 nan 0.000 0.458 545 N N -1.218 117.545 118.700 0.104 0.000 2.066 545 N HA -0.019 4.721 4.740 -0.000 0.000 0.232 545 N C 0.725 176.324 175.510 0.149 0.000 1.316 545 N CA 0.183 53.328 53.050 0.158 0.000 0.847 545 N CB 0.349 38.905 38.487 0.115 0.000 1.165 545 N HN -0.016 nan 8.380 nan 0.000 0.471 546 E N 0.814 121.087 120.200 0.122 0.000 2.333 546 E HA 0.054 4.404 4.350 -0.000 0.000 0.198 546 E C 1.139 177.867 176.600 0.213 0.000 1.007 546 E CA 0.966 57.453 56.400 0.146 0.000 0.845 546 E CB -0.028 29.748 29.700 0.127 0.000 0.766 546 E HN 0.357 nan 8.360 nan 0.000 0.507 547 M N -0.212 119.522 119.600 0.222 0.000 2.405 547 M HA 0.159 4.639 4.480 -0.000 0.000 0.292 547 M C -0.048 176.435 176.300 0.306 0.000 1.111 547 M CA -0.091 55.393 55.300 0.306 0.000 0.979 547 M CB 0.626 33.381 32.600 0.258 0.000 1.426 547 M HN -0.154 nan 8.290 nan 0.000 0.509 548 K N 0.531 121.073 120.400 0.237 0.000 2.118 548 K HA 0.290 4.610 4.320 -0.000 0.000 0.240 548 K C 1.111 177.878 176.600 0.278 0.000 1.035 548 K CA -0.298 56.128 56.287 0.232 0.000 0.899 548 K CB 1.259 33.914 32.500 0.257 0.000 1.085 548 K HN 0.059 nan 8.250 nan 0.000 0.498 549 I N 1.265 121.979 120.570 0.240 0.000 2.163 549 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 549 I C 1.994 178.127 176.117 0.027 0.000 1.085 549 I CA 1.525 62.843 61.300 0.029 0.000 1.347 549 I CB -0.528 37.309 38.000 -0.271 0.000 1.044 549 I HN 0.735 nan 8.210 nan 0.000 0.408 550 D N 1.804 122.199 120.400 -0.009 0.000 2.178 550 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 550 D C 1.988 178.324 176.300 0.060 0.000 0.980 550 D CA 1.528 55.521 54.000 -0.011 0.000 0.842 550 D CB -0.377 40.390 40.800 -0.056 0.000 0.948 550 D HN 0.362 nan 8.370 nan 0.000 0.472 551 A N 0.345 123.224 122.820 0.098 0.000 2.016 551 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 551 A C 2.236 179.879 177.584 0.098 0.000 1.162 551 A CA 1.880 53.977 52.037 0.101 0.000 0.662 551 A CB -0.630 18.447 19.000 0.129 0.000 0.812 551 A HN 0.458 nan 8.150 nan 0.000 0.450 552 T N -3.909 110.743 114.554 0.165 0.000 3.014 552 T HA 0.241 4.591 4.350 -0.000 0.000 0.250 552 T C 0.492 175.213 174.700 0.036 0.000 1.060 552 T CA 0.588 62.750 62.100 0.104 0.000 1.040 552 T CB 0.169 69.247 68.868 0.351 0.000 0.971 552 T HN 0.390 nan 8.240 nan 0.000 0.497 553 E N 1.880 122.156 120.200 0.127 0.000 3.352 553 E HA 0.228 4.578 4.350 -0.000 0.000 0.254 553 E C -2.154 174.546 176.600 0.167 0.000 1.229 553 E CA -1.959 54.425 56.400 -0.027 0.000 0.949 553 E CB 1.473 31.216 29.700 0.072 0.000 1.373 553 E HN 0.080 nan 8.360 nan 0.000 0.392 554 P HA -0.178 nan 4.420 nan 0.000 0.218 554 P C -0.082 177.328 177.300 0.183 0.000 1.148 554 P CA 1.065 64.241 63.100 0.126 0.000 0.822 554 P CB 0.495 32.203 31.700 0.013 0.000 0.784 555 Q N -1.369 118.355 119.800 -0.128 0.000 2.423 555 Q HA 0.398 4.738 4.340 -0.000 0.000 0.278 555 Q C -0.370 174.959 176.000 -1.119 0.000 1.097 555 Q CA -1.098 54.385 55.803 -0.535 0.000 0.809 555 Q CB 2.525 31.067 28.738 -0.328 0.000 1.391 555 Q HN -0.130 nan 8.270 nan 0.000 0.428 556 R N 0.118 119.569 120.500 -1.749 0.000 2.480 556 R HA 0.135 4.475 4.340 -0.000 0.000 0.303 556 R C 0.737 176.543 176.300 -0.824 0.000 0.985 556 R CA 1.760 56.840 56.100 -1.701 0.000 1.051 556 R CB -0.388 29.145 30.300 -1.279 0.000 0.935 556 R HN 0.940 nan 8.270 nan 0.000 0.410 557 G N 2.857 111.236 108.800 -0.702 0.000 2.179 557 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 557 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 557 G C 0.004 174.686 174.900 -0.362 0.000 0.977 557 G CA 0.459 45.325 45.100 -0.389 0.000 0.641 557 G HN 0.614 nan 8.290 nan 0.000 0.533 558 Q N 0.218 119.709 119.800 -0.514 0.000 2.425 558 Q HA 0.639 4.979 4.340 -0.000 0.000 0.254 558 Q C -0.620 175.119 176.000 -0.434 0.000 1.032 558 Q CA -0.865 54.739 55.803 -0.332 0.000 0.798 558 Q CB 0.150 28.731 28.738 -0.260 0.000 1.210 558 Q HN 0.192 nan 8.270 nan 0.000 0.491 559 F N 2.281 122.127 119.950 -0.173 0.000 2.371 559 F HA 0.400 4.927 4.527 0.000 0.000 0.329 559 F C 0.748 176.252 175.800 -0.493 0.000 1.107 559 F CA -0.385 57.404 58.000 -0.351 0.000 1.137 559 F CB 1.057 39.855 39.000 -0.337 0.000 1.214 559 F HN 0.479 nan 8.300 nan 0.000 0.536 560 N N 2.209 120.556 118.700 -0.587 0.000 2.519 560 N HA 0.227 4.967 4.740 -0.000 0.000 0.291 560 N C -1.157 173.969 175.510 -0.639 0.000 1.107 560 N CA -0.337 52.441 53.050 -0.454 0.000 0.904 560 N CB 0.816 39.184 38.487 -0.198 0.000 1.500 560 N HN 0.397 nan 8.380 nan 0.000 0.510 561 F N 1.086 120.995 119.950 -0.068 0.000 2.683 561 F HA 0.156 4.683 4.527 0.000 0.000 0.306 561 F C 2.187 178.018 175.800 0.051 0.000 1.102 561 F CA -0.266 57.689 58.000 -0.074 0.000 1.244 561 F CB 0.159 38.835 39.000 -0.540 0.000 1.029 561 F HN 0.460 nan 8.300 nan 0.000 0.545 562 S N 0.662 116.452 115.700 0.151 0.000 2.353 562 S HA -0.268 4.202 4.470 -0.000 0.000 0.222 562 S C 2.384 177.087 174.600 0.172 0.000 1.035 562 S CA 1.229 59.519 58.200 0.149 0.000 1.025 562 S CB -0.848 62.405 63.200 0.088 0.000 0.902 562 S HN 0.275 nan 8.310 nan 0.000 0.440 563 A N 2.116 125.026 122.820 0.150 0.000 1.877 563 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 563 A C 2.481 180.188 177.584 0.206 0.000 1.186 563 A CA 1.654 53.778 52.037 0.146 0.000 0.620 563 A CB -1.815 17.252 19.000 0.113 0.000 0.822 563 A HN 0.681 nan 8.150 nan 0.000 0.443 564 G N -0.390 108.587 108.800 0.295 0.000 2.422 564 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 564 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 564 G C 1.081 176.242 174.900 0.436 0.000 1.146 564 G CA 1.254 46.581 45.100 0.378 0.000 0.769 564 G HN 0.454 nan 8.290 nan 0.000 0.547 565 D N 0.236 120.916 120.400 0.466 0.000 2.224 565 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 565 D C 2.667 179.181 176.300 0.356 0.000 0.965 565 D CA 0.361 54.639 54.000 0.463 0.000 0.852 565 D CB -0.145 40.891 40.800 0.393 0.000 0.947 565 D HN 0.261 nan 8.370 nan 0.000 0.494 566 R N 0.144 120.802 120.500 0.264 0.000 2.081 566 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 566 R C 2.274 178.707 176.300 0.222 0.000 1.131 566 R CA 0.718 56.942 56.100 0.207 0.000 0.960 566 R CB -0.280 30.104 30.300 0.139 0.000 0.856 566 R HN 0.085 nan 8.270 nan 0.000 0.436 567 V N -0.068 119.969 119.914 0.205 0.000 2.323 567 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 567 V C 1.899 178.131 176.094 0.231 0.000 1.041 567 V CA 1.596 64.003 62.300 0.177 0.000 1.025 567 V CB -0.598 31.287 31.823 0.103 0.000 0.656 567 V HN 0.284 nan 8.190 nan 0.000 0.451 568 Y N 2.131 122.518 120.300 0.145 0.000 2.128 568 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 568 Y C 2.543 178.523 175.900 0.135 0.000 1.154 568 Y CA 2.139 60.306 58.100 0.111 0.000 1.149 568 Y CB -0.376 38.180 38.460 0.159 0.000 0.976 568 Y HN 0.298 nan 8.280 nan 0.000 0.505 569 N N -0.483 118.337 118.700 0.200 0.000 2.120 569 N HA -0.245 4.495 4.740 -0.000 0.000 0.188 569 N C 1.582 177.107 175.510 0.025 0.000 1.024 569 N CA 1.654 54.760 53.050 0.093 0.000 0.852 569 N CB -1.203 37.402 38.487 0.197 0.000 1.003 569 N HN 0.650 nan 8.380 nan 0.000 0.424 570 W N 2.004 123.279 121.300 -0.041 0.000 2.358 570 W HA -0.046 4.614 4.660 0.000 0.000 0.303 570 W C 2.397 178.857 176.519 -0.098 0.000 1.208 570 W CA 2.184 59.503 57.345 -0.043 0.000 1.274 570 W CB -0.353 29.104 29.460 -0.005 0.000 1.138 570 W HN 0.089 nan 8.180 nan 0.000 0.515 571 A N 0.300 123.172 122.820 0.086 0.000 1.865 571 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 571 A C 2.106 179.490 177.584 -0.333 0.000 1.191 571 A CA 3.236 55.204 52.037 -0.114 0.000 0.623 571 A CB -1.664 17.295 19.000 -0.070 0.000 0.826 571 A HN 0.568 nan 8.150 nan 0.000 0.444 572 V N -2.034 117.637 119.914 -0.406 0.000 2.407 572 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 572 V C 2.398 178.324 176.094 -0.281 0.000 1.055 572 V CA 2.499 64.583 62.300 -0.360 0.000 1.049 572 V CB -1.305 30.260 31.823 -0.431 0.000 0.662 572 V HN 0.585 nan 8.190 nan 0.000 0.455 573 Q N 1.198 120.821 119.800 -0.295 0.000 2.226 573 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 573 Q C 1.712 177.506 176.000 -0.343 0.000 0.975 573 Q CA 1.879 57.521 55.803 -0.268 0.000 0.866 573 Q CB -0.233 28.356 28.738 -0.249 0.000 0.915 573 Q HN 0.759 nan 8.270 nan 0.000 0.440 574 N N -0.881 117.519 118.700 -0.499 0.000 2.279 574 N HA 0.137 4.877 4.740 -0.000 0.000 0.226 574 N C -0.127 175.191 175.510 -0.320 0.000 1.126 574 N CA 0.700 53.447 53.050 -0.505 0.000 0.846 574 N CB 1.090 39.025 38.487 -0.920 0.000 1.050 574 N HN 0.373 nan 8.380 nan 0.000 0.502 575 G N 1.368 110.021 108.800 -0.244 0.000 2.198 575 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 575 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 575 G C -0.119 174.703 174.900 -0.130 0.000 1.025 575 G CA 0.500 45.504 45.100 -0.159 0.000 0.769 575 G HN 0.278 nan 8.290 nan 0.000 0.507 576 K N -0.166 120.139 120.400 -0.160 0.000 2.208 576 K HA 0.644 4.964 4.320 -0.000 0.000 0.247 576 K C 0.627 177.147 176.600 -0.134 0.000 0.953 576 K CA -0.630 55.592 56.287 -0.107 0.000 0.837 576 K CB 1.449 33.910 32.500 -0.064 0.000 1.131 576 K HN 0.342 nan 8.250 nan 0.000 0.431 577 Q N 0.347 120.073 119.800 -0.123 0.000 2.237 577 Q HA 0.517 4.857 4.340 -0.000 0.000 0.219 577 Q C -0.750 175.144 176.000 -0.176 0.000 0.999 577 Q CA -0.895 54.822 55.803 -0.144 0.000 0.959 577 Q CB 1.415 30.064 28.738 -0.149 0.000 1.173 577 Q HN 0.226 nan 8.270 nan 0.000 0.527 578 V N 1.022 120.830 119.914 -0.176 0.000 2.656 578 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 578 V C -0.709 175.212 176.094 -0.288 0.000 1.051 578 V CA -0.819 61.360 62.300 -0.201 0.000 0.893 578 V CB 1.964 33.712 31.823 -0.125 0.000 0.999 578 V HN 0.646 nan 8.190 nan 0.000 0.426 579 R N 2.151 122.470 120.500 -0.302 0.000 2.338 579 R HA 0.606 4.946 4.340 -0.000 0.000 0.317 579 R C 0.254 176.287 176.300 -0.444 0.000 0.968 579 R CA -0.484 55.417 56.100 -0.333 0.000 0.849 579 R CB 1.910 32.085 30.300 -0.208 0.000 1.128 579 R HN 0.909 nan 8.270 nan 0.000 0.448 580 G N 1.460 109.776 108.800 -0.806 0.000 2.353 580 G HA2 0.215 4.175 3.960 -0.000 0.000 0.284 580 G HA3 0.215 4.175 3.960 -0.000 0.000 0.284 580 G C -1.026 173.746 174.900 -0.213 0.000 1.172 580 G CA -0.029 44.359 45.100 -1.186 0.000 0.854 580 G HN 0.644 nan 8.290 nan 0.000 0.485 581 H N 0.163 119.192 119.070 -0.068 0.000 3.018 581 H HA 0.612 5.168 4.556 -0.000 0.000 0.334 581 H C -0.827 174.537 175.328 0.060 0.000 0.983 581 H CA -0.319 55.736 56.048 0.011 0.000 1.363 581 H CB 2.047 31.796 29.762 -0.022 0.000 1.668 581 H HN 0.630 nan 8.280 nan 0.000 0.513 582 T N 4.728 119.086 114.554 -0.327 0.000 2.923 582 T HA 0.265 4.615 4.350 -0.000 0.000 0.311 582 T C 0.619 175.228 174.700 -0.151 0.000 1.183 582 T CA -0.675 61.191 62.100 -0.391 0.000 1.020 582 T CB 1.092 69.255 68.868 -1.175 0.000 1.165 582 T HN 0.567 nan 8.240 nan 0.000 0.482 583 L N 2.132 123.320 121.223 -0.058 0.000 2.095 583 L HA 0.490 4.830 4.340 -0.000 0.000 0.204 583 L C 1.237 178.208 176.870 0.169 0.000 1.080 583 L CA 0.527 55.382 54.840 0.025 0.000 0.759 583 L CB -0.150 41.800 42.059 -0.181 0.000 0.914 583 L HN 0.708 nan 8.230 nan 0.000 0.439 584 A N -0.177 122.728 122.820 0.142 0.000 2.414 584 A HA 0.580 4.900 4.320 -0.000 0.000 0.286 584 A C -1.601 176.286 177.584 0.505 0.000 1.073 584 A CA -0.457 51.770 52.037 0.317 0.000 0.727 584 A CB 0.770 19.980 19.000 0.349 0.000 1.215 584 A HN 0.262 nan 8.150 nan 0.000 0.430 585 W N 2.841 124.197 121.300 0.093 0.000 2.926 585 W HA 0.349 5.009 4.660 -0.000 0.000 0.361 585 W C -0.026 176.473 176.519 -0.033 0.000 1.195 585 W CA -0.194 57.221 57.345 0.116 0.000 1.177 585 W CB -0.101 29.369 29.460 0.017 0.000 1.453 585 W HN 0.813 nan 8.180 nan 0.000 0.571 586 H N -0.055 118.931 119.070 -0.140 0.000 2.512 586 H HA 0.169 4.725 4.556 -0.000 0.000 0.279 586 H C 0.065 175.021 175.328 -0.620 0.000 0.999 586 H CA 1.042 56.881 56.048 -0.348 0.000 1.283 586 H CB -0.168 29.481 29.762 -0.188 0.000 1.421 586 H HN 0.181 nan 8.280 nan 0.000 0.554 587 S N 0.322 114.875 115.700 -1.911 0.000 2.616 587 S HA 0.144 4.614 4.470 -0.000 0.000 0.277 587 S C 0.129 173.877 174.600 -1.419 0.000 1.234 587 S CA -0.341 56.809 58.200 -1.750 0.000 1.028 587 S CB 0.588 62.608 63.200 -1.966 0.000 0.988 587 S HN 0.569 nan 8.310 nan 0.000 0.522 588 Q N 0.544 119.890 119.800 -0.757 0.000 2.457 588 Q HA -0.214 4.126 4.340 -0.000 0.000 0.283 588 Q C -0.501 175.281 176.000 -0.364 0.000 1.234 588 Q CA 0.697 56.252 55.803 -0.413 0.000 0.877 588 Q CB -1.265 27.346 28.738 -0.212 0.000 1.250 588 Q HN 0.687 nan 8.270 nan 0.000 0.481 589 Q N 1.135 120.667 119.800 -0.447 0.000 2.340 589 Q HA 0.280 4.620 4.340 -0.000 0.000 0.249 589 Q C -1.914 173.841 176.000 -0.409 0.000 0.957 589 Q CA -1.560 53.978 55.803 -0.442 0.000 0.882 589 Q CB 0.626 29.078 28.738 -0.476 0.000 1.235 589 Q HN 0.131 nan 8.270 nan 0.000 0.439 590 P HA -0.043 nan 4.420 nan 0.000 0.272 590 P C 0.322 177.333 177.300 -0.481 0.000 1.230 590 P CA 0.035 62.873 63.100 -0.437 0.000 0.788 590 P CB 0.661 32.070 31.700 -0.486 0.000 0.949 591 G N 1.833 110.490 108.800 -0.239 0.000 2.469 591 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 591 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 591 G C 1.387 176.207 174.900 -0.134 0.000 1.150 591 G CA 0.513 45.521 45.100 -0.153 0.000 0.763 591 G HN 0.769 nan 8.290 nan 0.000 0.561 592 W N -0.175 121.073 121.300 -0.087 0.000 2.392 592 W HA 0.055 4.715 4.660 -0.000 0.000 0.279 592 W C 2.028 178.493 176.519 -0.090 0.000 1.225 592 W CA 1.007 58.301 57.345 -0.084 0.000 1.233 592 W CB -0.719 28.688 29.460 -0.088 0.000 1.122 592 W HN 0.290 nan 8.180 nan 0.000 0.561 593 M N 1.239 120.314 119.600 -0.874 0.000 2.334 593 M HA -0.093 4.387 4.480 -0.000 0.000 0.266 593 M C 2.402 178.465 176.300 -0.396 0.000 1.082 593 M CA 1.337 56.166 55.300 -0.785 0.000 1.141 593 M CB -0.212 31.632 32.600 -1.261 0.000 1.380 593 M HN -0.046 nan 8.290 nan 0.000 0.440 594 Q N -0.409 119.174 119.800 -0.362 0.000 2.181 594 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 594 Q C 1.646 177.557 176.000 -0.149 0.000 0.980 594 Q CA 1.731 57.391 55.803 -0.238 0.000 0.862 594 Q CB -0.049 28.564 28.738 -0.209 0.000 0.905 594 Q HN 0.473 nan 8.270 nan 0.000 0.429 595 S N 0.218 115.854 115.700 -0.107 0.000 2.561 595 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 595 S C 0.606 175.187 174.600 -0.033 0.000 0.977 595 S CA 0.211 58.382 58.200 -0.049 0.000 0.926 595 S CB 0.084 63.281 63.200 -0.005 0.000 0.769 595 S HN 0.197 nan 8.310 nan 0.000 0.533 596 L N 1.798 122.992 121.223 -0.049 0.000 2.379 596 L HA 0.574 4.913 4.340 -0.000 0.000 0.269 596 L C 0.351 177.189 176.870 -0.054 0.000 1.084 596 L CA -0.488 54.337 54.840 -0.025 0.000 0.802 596 L CB 1.341 43.404 42.059 0.006 0.000 1.175 596 L HN 0.150 nan 8.230 nan 0.000 0.448 597 S N -0.167 115.511 115.700 -0.036 0.000 2.625 597 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 597 S C -0.096 174.487 174.600 -0.028 0.000 1.161 597 S CA -0.223 57.948 58.200 -0.048 0.000 0.820 597 S CB 1.411 64.584 63.200 -0.046 0.000 1.137 597 S HN 1.226 nan 8.310 nan 0.000 0.470 598 G N 1.974 110.756 108.800 -0.031 0.000 2.574 598 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.282 598 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.282 598 G C 1.105 176.008 174.900 0.005 0.000 1.257 598 G CA 1.570 46.664 45.100 -0.010 0.000 0.956 598 G HN 2.224 nan 8.290 nan 0.000 0.560 599 S N -1.497 114.213 115.700 0.016 0.000 2.383 599 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 599 S C 2.226 176.846 174.600 0.034 0.000 1.030 599 S CA 2.749 60.966 58.200 0.028 0.000 1.002 599 S CB -0.928 62.288 63.200 0.027 0.000 0.829 599 S HN 1.207 nan 8.310 nan 0.000 0.467 600 T N 2.657 117.229 114.554 0.029 0.000 2.746 600 T HA 0.088 4.438 4.350 -0.000 0.000 0.267 600 T C 1.704 176.437 174.700 0.056 0.000 1.039 600 T CA 1.193 63.318 62.100 0.041 0.000 1.142 600 T CB -0.481 68.408 68.868 0.036 0.000 0.866 600 T HN 0.303 nan 8.240 nan 0.000 0.444 601 L N 0.664 121.907 121.223 0.033 0.000 2.056 601 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 601 L C 2.811 179.706 176.870 0.042 0.000 1.078 601 L CA 1.385 56.238 54.840 0.022 0.000 0.749 601 L CB -0.236 41.800 42.059 -0.040 0.000 0.901 601 L HN 0.127 nan 8.230 nan 0.000 0.433 602 R N 0.225 120.751 120.500 0.043 0.000 2.083 602 R HA -0.267 4.073 4.340 -0.000 0.000 0.237 602 R C 2.199 178.556 176.300 0.095 0.000 1.137 602 R CA 2.084 58.229 56.100 0.075 0.000 0.951 602 R CB -0.628 29.717 30.300 0.075 0.000 0.851 602 R HN 0.310 nan 8.270 nan 0.000 0.434 603 Q N -0.305 119.546 119.800 0.085 0.000 2.119 603 Q HA 0.096 4.436 4.340 -0.000 0.000 0.201 603 Q C 1.836 177.911 176.000 0.125 0.000 0.972 603 Q CA 1.966 57.824 55.803 0.092 0.000 0.847 603 Q CB -0.416 28.365 28.738 0.072 0.000 0.903 603 Q HN 0.419 nan 8.270 nan 0.000 0.433 604 A N 0.260 123.167 122.820 0.144 0.000 1.933 604 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 604 A C 2.123 179.853 177.584 0.243 0.000 1.175 604 A CA 1.584 53.753 52.037 0.220 0.000 0.628 604 A CB -0.662 18.513 19.000 0.291 0.000 0.814 604 A HN 0.580 nan 8.150 nan 0.000 0.444 605 M N -0.447 119.259 119.600 0.176 0.000 2.086 605 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 605 M C 1.957 178.383 176.300 0.210 0.000 1.067 605 M CA 1.891 57.303 55.300 0.186 0.000 1.116 605 M CB -0.317 32.378 32.600 0.160 0.000 1.348 605 M HN 0.423 nan 8.290 nan 0.000 0.407 606 I N 0.568 121.237 120.570 0.165 0.000 2.179 606 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 606 I C 1.842 178.043 176.117 0.139 0.000 1.088 606 I CA 1.372 62.748 61.300 0.127 0.000 1.357 606 I CB -0.729 37.330 38.000 0.098 0.000 1.051 606 I HN 0.309 nan 8.210 nan 0.000 0.409 607 D N -0.326 120.183 120.400 0.181 0.000 2.123 607 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 607 D C 1.999 178.507 176.300 0.346 0.000 0.992 607 D CA 1.530 55.663 54.000 0.222 0.000 0.833 607 D CB -0.436 40.502 40.800 0.230 0.000 0.954 607 D HN 0.432 nan 8.370 nan 0.000 0.455 608 H N 0.473 119.731 119.070 0.313 0.000 2.321 608 H HA -0.002 4.554 4.556 0.000 0.000 0.300 608 H C 2.174 177.643 175.328 0.235 0.000 1.087 608 H CA 1.251 57.546 56.048 0.413 0.000 1.319 608 H CB -0.324 29.623 29.762 0.308 0.000 1.379 608 H HN 0.060 nan 8.280 nan 0.000 0.501 609 I N 0.245 120.873 120.570 0.096 0.000 2.163 609 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 609 I C 2.089 178.097 176.117 -0.181 0.000 1.085 609 I CA 1.369 62.607 61.300 -0.103 0.000 1.347 609 I CB -0.357 37.603 38.000 -0.065 0.000 1.044 609 I HN 0.376 nan 8.210 nan 0.000 0.408 610 N N 1.100 119.741 118.700 -0.098 0.000 2.104 610 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 610 N C 1.870 177.234 175.510 -0.243 0.000 1.024 610 N CA 1.701 54.671 53.050 -0.134 0.000 0.853 610 N CB -0.700 37.748 38.487 -0.065 0.000 1.008 610 N HN 0.460 nan 8.380 nan 0.000 0.424 611 G N 0.738 109.320 108.800 -0.363 0.000 2.404 611 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 611 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 611 G C 1.743 176.306 174.900 -0.562 0.000 1.174 611 G CA 0.785 45.356 45.100 -0.881 0.000 0.780 611 G HN 0.195 nan 8.290 nan 0.000 0.537 612 V N 1.071 120.792 119.914 -0.322 0.000 2.323 612 V HA -0.130 3.990 4.120 -0.000 0.000 0.244 612 V C 2.889 178.933 176.094 -0.084 0.000 1.041 612 V CA 1.897 64.186 62.300 -0.019 0.000 1.025 612 V CB -0.428 31.374 31.823 -0.034 0.000 0.656 612 V HN 0.335 nan 8.190 nan 0.000 0.451 613 M N 0.374 119.813 119.600 -0.269 0.000 2.229 613 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 613 M C 2.247 178.488 176.300 -0.098 0.000 1.063 613 M CA 1.838 57.015 55.300 -0.206 0.000 1.114 613 M CB -0.782 31.600 32.600 -0.365 0.000 1.387 613 M HN 0.500 nan 8.290 nan 0.000 0.420 614 G N -0.887 107.806 108.800 -0.178 0.000 2.402 614 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 614 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 614 G C 1.184 175.940 174.900 -0.241 0.000 1.162 614 G CA 1.189 46.181 45.100 -0.179 0.000 0.777 614 G HN 0.475 nan 8.290 nan 0.000 0.539 615 H N -0.591 118.180 119.070 -0.498 0.000 2.387 615 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 615 H C 1.270 176.133 175.328 -0.774 0.000 1.090 615 H CA 1.250 56.804 56.048 -0.823 0.000 1.332 615 H CB -0.081 28.625 29.762 -1.760 0.000 1.386 615 H HN 0.411 nan 8.280 nan 0.000 0.516 616 Y N 0.442 120.547 120.300 -0.325 0.000 2.524 616 Y HA 0.215 4.765 4.550 -0.000 0.000 0.266 616 Y C 0.644 176.467 175.900 -0.128 0.000 1.180 616 Y CA -0.442 57.495 58.100 -0.272 0.000 1.244 616 Y CB -0.105 38.343 38.460 -0.019 0.000 1.125 616 Y HN -0.006 nan 8.280 nan 0.000 0.524 617 K N 0.758 121.141 120.400 -0.028 0.000 2.473 617 K HA 0.081 4.401 4.320 -0.000 0.000 0.277 617 K C 1.286 177.890 176.600 0.006 0.000 1.052 617 K CA 1.335 57.626 56.287 0.007 0.000 1.114 617 K CB -0.246 32.224 32.500 -0.051 0.000 0.869 617 K HN 0.629 nan 8.250 nan 0.000 0.481 618 G N 3.682 112.514 108.800 0.053 0.000 2.184 618 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 618 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 618 G C 0.442 175.371 174.900 0.048 0.000 0.975 618 G CA 0.777 45.902 45.100 0.042 0.000 0.642 618 G HN 0.725 nan 8.290 nan 0.000 0.536 619 K N -0.544 119.890 120.400 0.057 0.000 2.374 619 K HA 0.389 4.709 4.320 -0.000 0.000 0.202 619 K C 0.318 176.973 176.600 0.092 0.000 1.040 619 K CA -0.191 56.151 56.287 0.092 0.000 1.085 619 K CB 0.961 33.486 32.500 0.041 0.000 0.873 619 K HN 0.310 nan 8.250 nan 0.000 0.539 620 I N 0.947 121.526 120.570 0.015 0.000 2.378 620 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 620 I C 1.100 177.153 176.117 -0.107 0.000 0.992 620 I CA -0.302 60.908 61.300 -0.150 0.000 1.154 620 I CB 1.251 38.990 38.000 -0.434 0.000 1.315 620 I HN -0.018 nan 8.210 nan 0.000 0.448 621 A N 6.129 128.868 122.820 -0.134 0.000 1.872 621 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 621 A C 0.778 178.329 177.584 -0.055 0.000 1.187 621 A CA 1.135 53.125 52.037 -0.079 0.000 0.614 621 A CB 0.075 19.009 19.000 -0.110 0.000 0.826 621 A HN 0.778 nan 8.150 nan 0.000 0.442 622 Q N -2.963 116.757 119.800 -0.132 0.000 2.315 622 Q HA 0.458 4.798 4.340 -0.000 0.000 0.273 622 Q C -2.047 173.871 176.000 -0.136 0.000 1.053 622 Q CA -0.284 55.490 55.803 -0.047 0.000 0.817 622 Q CB 2.088 30.819 28.738 -0.012 0.000 1.326 622 Q HN 0.547 nan 8.270 nan 0.000 0.423 623 W N 1.632 122.944 121.300 0.020 0.000 2.532 623 W HA 0.317 4.977 4.660 -0.000 0.000 0.321 623 W C -0.658 175.856 176.519 -0.008 0.000 1.037 623 W CA -0.467 56.875 57.345 -0.006 0.000 1.220 623 W CB 1.625 31.073 29.460 -0.019 0.000 1.361 623 W HN 0.453 nan 8.180 nan 0.000 0.468 624 D N 3.609 124.195 120.400 0.311 0.000 2.435 624 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 624 D C 1.136 177.486 176.300 0.082 0.000 1.215 624 D CA 0.214 54.299 54.000 0.142 0.000 0.947 624 D CB 1.301 42.157 40.800 0.093 0.000 1.048 624 D HN 0.117 nan 8.370 nan 0.000 0.512 625 V N 1.895 121.793 119.914 -0.026 0.000 2.307 625 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 625 V C 1.084 177.055 176.094 -0.205 0.000 1.045 625 V CA 1.045 63.183 62.300 -0.271 0.000 1.024 625 V CB 0.063 31.399 31.823 -0.811 0.000 0.651 625 V HN 0.269 nan 8.190 nan 0.000 0.449 626 V N -0.611 119.240 119.914 -0.105 0.000 2.709 626 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 626 V C -0.556 175.549 176.094 0.018 0.000 1.062 626 V CA -0.256 62.109 62.300 0.109 0.000 0.901 626 V CB 2.034 34.026 31.823 0.280 0.000 1.003 626 V HN 0.295 nan 8.190 nan 0.000 0.425 627 S N 1.300 117.070 115.700 0.116 0.000 2.570 627 S HA 0.639 5.109 4.470 -0.000 0.000 0.286 627 S C -0.390 174.549 174.600 0.565 0.000 1.099 627 S CA -0.550 57.704 58.200 0.090 0.000 0.913 627 S CB 1.184 64.276 63.200 -0.180 0.000 1.085 627 S HN 0.977 nan 8.310 nan 0.000 0.480 628 H N -0.301 118.968 119.070 0.331 0.000 2.776 628 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 628 H C 1.066 176.709 175.328 0.525 0.000 1.161 628 H CA 0.633 56.988 56.048 0.513 0.000 1.147 628 H CB -1.757 28.476 29.762 0.784 0.000 1.366 628 H HN 0.655 nan 8.280 nan 0.000 0.397 629 A N -1.158 122.101 122.820 0.732 0.000 2.167 629 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 629 A C 0.541 178.258 177.584 0.223 0.000 1.151 629 A CA 0.414 52.809 52.037 0.598 0.000 0.735 629 A CB 0.188 19.540 19.000 0.585 0.000 0.802 629 A HN 0.177 nan 8.150 nan 0.000 0.467 630 F N -0.994 119.096 119.950 0.234 0.000 2.483 630 F HA 0.534 5.061 4.527 -0.000 0.000 0.329 630 F C 0.904 176.727 175.800 0.039 0.000 1.064 630 F CA -0.786 57.275 58.000 0.102 0.000 0.986 630 F CB 1.491 40.525 39.000 0.057 0.000 1.218 630 F HN -0.077 nan 8.300 nan 0.000 0.484 631 S N 0.119 115.916 115.700 0.162 0.000 2.617 631 S HA 0.198 4.668 4.470 -0.000 0.000 0.269 631 S C 0.223 174.880 174.600 0.096 0.000 1.292 631 S CA -0.601 57.655 58.200 0.092 0.000 1.010 631 S CB 0.498 63.728 63.200 0.050 0.000 0.944 631 S HN 0.606 nan 8.310 nan 0.000 0.536 632 D N 1.188 121.638 120.400 0.083 0.000 2.395 632 D HA 0.049 4.689 4.640 -0.000 0.000 0.213 632 D C 0.888 177.214 176.300 0.043 0.000 1.110 632 D CA 0.136 54.192 54.000 0.093 0.000 0.835 632 D CB 0.123 41.019 40.800 0.161 0.000 0.965 632 D HN 0.750 nan 8.370 nan 0.000 0.505 633 D N 0.505 120.922 120.400 0.028 0.000 2.218 633 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 633 D C 1.645 177.923 176.300 -0.037 0.000 0.976 633 D CA 1.485 55.485 54.000 -0.001 0.000 0.853 633 D CB -0.117 40.684 40.800 0.002 0.000 0.939 633 D HN 0.265 nan 8.370 nan 0.000 0.481 634 G N -0.759 108.016 108.800 -0.042 0.000 2.260 634 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.179 634 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.179 634 G C 1.078 175.945 174.900 -0.055 0.000 1.002 634 G CA 0.688 45.734 45.100 -0.089 0.000 0.677 634 G HN 0.660 nan 8.290 nan 0.000 0.486 635 S N 0.141 115.832 115.700 -0.016 0.000 2.501 635 S HA 0.417 4.887 4.470 -0.000 0.000 0.220 635 S C 2.150 176.768 174.600 0.031 0.000 0.997 635 S CA 1.491 59.691 58.200 0.000 0.000 0.919 635 S CB 0.253 63.457 63.200 0.007 0.000 0.778 635 S HN 2.293 nan 8.310 nan 0.000 0.523 636 G N 0.734 109.574 108.800 0.066 0.000 2.160 636 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.251 636 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.251 636 G C 0.418 175.469 174.900 0.251 0.000 1.008 636 G CA 0.090 45.271 45.100 0.136 0.000 0.724 636 G HN 1.052 nan 8.290 nan 0.000 0.514 637 G N -1.092 107.803 108.800 0.158 0.000 2.532 637 G HA2 0.617 4.577 3.960 -0.000 0.000 0.291 637 G HA3 0.617 4.577 3.960 -0.000 0.000 0.291 637 G C 0.246 175.117 174.900 -0.048 0.000 1.349 637 G CA -0.874 44.276 45.100 0.084 0.000 1.038 637 G HN 0.325 nan 8.290 nan 0.000 0.518 638 R N -0.060 120.305 120.500 -0.225 0.000 2.594 638 R HA 0.162 4.502 4.340 -0.000 0.000 0.272 638 R C 0.633 176.852 176.300 -0.135 0.000 1.074 638 R CA -0.439 55.445 56.100 -0.361 0.000 1.105 638 R CB 0.769 30.924 30.300 -0.241 0.000 1.008 638 R HN 0.624 nan 8.270 nan 0.000 0.472 639 R N 1.443 121.888 120.500 -0.093 0.000 2.491 639 R HA -0.034 4.306 4.340 -0.000 0.000 0.283 639 R C -0.631 175.630 176.300 -0.065 0.000 1.072 639 R CA -0.196 55.873 56.100 -0.052 0.000 1.048 639 R CB 0.451 30.719 30.300 -0.053 0.000 0.983 639 R HN 0.458 nan 8.270 nan 0.000 0.450 640 D N 2.143 122.497 120.400 -0.077 0.000 2.317 640 D HA 0.165 4.805 4.640 -0.000 0.000 0.252 640 D C -1.175 175.051 176.300 -0.122 0.000 1.174 640 D CA 0.238 54.190 54.000 -0.081 0.000 0.866 640 D CB 0.846 41.610 40.800 -0.060 0.000 1.127 640 D HN 0.582 nan 8.370 nan 0.000 0.467 641 S N 2.443 118.056 115.700 -0.145 0.000 2.615 641 S HA 0.271 4.741 4.470 -0.000 0.000 0.269 641 S C 0.850 175.328 174.600 -0.204 0.000 1.161 641 S CA -0.818 57.280 58.200 -0.171 0.000 0.817 641 S CB 0.846 63.931 63.200 -0.192 0.000 1.131 641 S HN 0.403 nan 8.310 nan 0.000 0.467 642 N N 1.294 119.875 118.700 -0.198 0.000 2.149 642 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 642 N C 1.555 176.885 175.510 -0.301 0.000 1.019 642 N CA 1.657 54.585 53.050 -0.203 0.000 0.857 642 N CB -1.099 37.284 38.487 -0.174 0.000 0.997 642 N HN 0.648 nan 8.380 nan 0.000 0.426 643 L N -0.252 120.688 121.223 -0.472 0.000 2.017 643 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 643 L C 2.818 179.069 176.870 -1.032 0.000 1.073 643 L CA 1.538 55.881 54.840 -0.829 0.000 0.745 643 L CB -0.598 40.657 42.059 -1.341 0.000 0.894 643 L HN 0.225 nan 8.230 nan 0.000 0.432 644 Q N 0.622 119.915 119.800 -0.845 0.000 2.124 644 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 644 Q C 2.105 178.016 176.000 -0.148 0.000 0.977 644 Q CA 1.573 57.156 55.803 -0.366 0.000 0.850 644 Q CB -0.093 28.610 28.738 -0.058 0.000 0.901 644 Q HN 0.305 nan 8.270 nan 0.000 0.429 645 R N -0.394 120.004 120.500 -0.170 0.000 2.316 645 R HA -0.021 4.319 4.340 -0.000 0.000 0.202 645 R C 1.847 178.111 176.300 -0.061 0.000 1.029 645 R CA 1.280 57.328 56.100 -0.086 0.000 1.018 645 R CB -0.237 30.011 30.300 -0.087 0.000 0.888 645 R HN 0.478 nan 8.270 nan 0.000 0.471 646 T N -2.630 111.871 114.554 -0.087 0.000 3.088 646 T HA 0.186 4.536 4.350 -0.000 0.000 0.259 646 T C 0.846 175.576 174.700 0.050 0.000 1.122 646 T CA 0.489 62.575 62.100 -0.023 0.000 1.095 646 T CB 0.592 69.442 68.868 -0.030 0.000 0.930 646 T HN 0.321 nan 8.240 nan 0.000 0.508 647 G N 0.666 109.519 108.800 0.087 0.000 2.326 647 G HA2 0.052 4.012 3.960 -0.000 0.000 0.478 647 G HA3 0.052 4.012 3.960 -0.000 0.000 0.478 647 G C -0.157 174.906 174.900 0.273 0.000 1.551 647 G CA -0.300 44.886 45.100 0.144 0.000 0.946 647 G HN 0.071 nan 8.290 nan 0.000 0.671 648 N N 0.269 119.093 118.700 0.207 0.000 2.364 648 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 648 N C 1.815 177.441 175.510 0.193 0.000 1.022 648 N CA 1.964 55.143 53.050 0.216 0.000 0.883 648 N CB 0.160 38.714 38.487 0.111 0.000 0.965 648 N HN 0.640 nan 8.380 nan 0.000 0.438 649 D N -0.325 120.185 120.400 0.184 0.000 2.363 649 D HA -0.132 4.508 4.640 -0.000 0.000 0.226 649 D C 1.761 178.163 176.300 0.170 0.000 1.020 649 D CA 0.002 54.083 54.000 0.136 0.000 0.892 649 D CB -0.975 39.888 40.800 0.105 0.000 0.900 649 D HN 0.580 nan 8.370 nan 0.000 0.531 650 W N 1.574 122.934 121.300 0.100 0.000 2.342 650 W HA -0.137 4.523 4.660 -0.000 0.000 0.297 650 W C 1.513 178.132 176.519 0.167 0.000 1.213 650 W CA 0.235 57.645 57.345 0.109 0.000 1.251 650 W CB -1.055 28.460 29.460 0.093 0.000 1.136 650 W HN -0.073 nan 8.180 nan 0.000 0.526 651 I N 1.320 121.548 120.570 -0.570 0.000 2.179 651 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 651 I C 2.787 178.975 176.117 0.117 0.000 1.088 651 I CA 2.195 63.260 61.300 -0.392 0.000 1.357 651 I CB -0.804 36.974 38.000 -0.370 0.000 1.051 651 I HN 0.030 nan 8.210 nan 0.000 0.409 652 E N 1.147 121.363 120.200 0.026 0.000 2.058 652 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 652 E C 2.323 178.891 176.600 -0.052 0.000 0.997 652 E CA 1.605 57.868 56.400 -0.228 0.000 0.801 652 E CB 0.129 29.671 29.700 -0.264 0.000 0.746 652 E HN 0.263 nan 8.360 nan 0.000 0.450 653 V N 1.192 121.125 119.914 0.031 0.000 2.407 653 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 653 V C 2.449 178.585 176.094 0.071 0.000 1.055 653 V CA 1.748 64.084 62.300 0.061 0.000 1.049 653 V CB -0.762 31.127 31.823 0.109 0.000 0.662 653 V HN 0.445 nan 8.190 nan 0.000 0.455 654 A N -0.474 122.403 122.820 0.095 0.000 1.877 654 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 654 A C 2.044 179.575 177.584 -0.090 0.000 1.186 654 A CA 1.909 53.959 52.037 0.022 0.000 0.620 654 A CB -0.719 18.294 19.000 0.021 0.000 0.822 654 A HN 0.468 nan 8.150 nan 0.000 0.443 655 F N -0.265 119.671 119.950 -0.023 0.000 2.146 655 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 655 F C 2.605 178.372 175.800 -0.056 0.000 1.096 655 F CA 1.651 59.630 58.000 -0.036 0.000 1.275 655 F CB -0.238 38.715 39.000 -0.078 0.000 1.008 655 F HN 0.091 nan 8.300 nan 0.000 0.480 656 R N -0.573 119.978 120.500 0.086 0.000 2.096 656 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 656 R C 2.087 178.397 176.300 0.016 0.000 1.127 656 R CA 1.867 57.984 56.100 0.029 0.000 0.968 656 R CB -0.929 29.368 30.300 -0.005 0.000 0.861 656 R HN 0.215 nan 8.270 nan 0.000 0.440 657 T N 0.843 115.400 114.554 0.006 0.000 2.708 657 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 657 T C 1.947 176.622 174.700 -0.043 0.000 1.037 657 T CA 1.404 63.497 62.100 -0.013 0.000 1.146 657 T CB -0.230 68.633 68.868 -0.007 0.000 0.865 657 T HN 0.376 nan 8.240 nan 0.000 0.435 658 A N 1.864 124.641 122.820 -0.072 0.000 1.877 658 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 658 A C 2.249 179.812 177.584 -0.035 0.000 1.186 658 A CA 2.063 54.034 52.037 -0.109 0.000 0.620 658 A CB -0.579 18.316 19.000 -0.175 0.000 0.822 658 A HN 0.345 nan 8.150 nan 0.000 0.443 659 R N 0.252 120.764 120.500 0.021 0.000 2.091 659 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 659 R C 2.082 178.393 176.300 0.019 0.000 1.136 659 R CA 2.119 58.245 56.100 0.044 0.000 0.959 659 R CB -0.837 29.498 30.300 0.059 0.000 0.856 659 R HN 0.399 nan 8.270 nan 0.000 0.437 660 A N -0.051 122.771 122.820 0.003 0.000 1.930 660 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 660 A C 2.343 179.917 177.584 -0.017 0.000 1.175 660 A CA 1.489 53.523 52.037 -0.004 0.000 0.627 660 A CB -0.887 18.109 19.000 -0.006 0.000 0.815 660 A HN 0.492 nan 8.150 nan 0.000 0.443 661 A N -1.246 121.552 122.820 -0.036 0.000 1.930 661 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 661 A C 0.908 178.469 177.584 -0.039 0.000 1.175 661 A CA 1.694 53.696 52.037 -0.058 0.000 0.627 661 A CB -0.049 18.887 19.000 -0.105 0.000 0.815 661 A HN 0.396 nan 8.150 nan 0.000 0.443 662 D N -2.651 117.741 120.400 -0.012 0.000 2.337 662 D HA 0.319 4.959 4.640 -0.000 0.000 0.238 662 D C -2.593 173.740 176.300 0.055 0.000 1.331 662 D CA -1.419 52.599 54.000 0.030 0.000 0.967 662 D CB 1.096 41.941 40.800 0.074 0.000 1.382 662 D HN -0.089 nan 8.370 nan 0.000 0.549 663 P HA 0.041 nan 4.420 nan 0.000 0.228 663 P C 0.886 178.224 177.300 0.064 0.000 1.151 663 P CA 0.614 63.745 63.100 0.051 0.000 0.770 663 P CB 0.415 32.136 31.700 0.034 0.000 0.786 664 A N -0.840 122.022 122.820 0.069 0.000 2.132 664 A HA 0.401 4.721 4.320 -0.000 0.000 0.213 664 A C 1.285 178.924 177.584 0.093 0.000 1.154 664 A CA 0.370 52.449 52.037 0.071 0.000 0.753 664 A CB -0.650 18.385 19.000 0.058 0.000 0.826 664 A HN 0.225 nan 8.150 nan 0.000 0.469 665 A N 0.399 123.299 122.820 0.133 0.000 2.327 665 A HA 0.523 4.843 4.320 -0.000 0.000 0.283 665 A C 0.029 177.713 177.584 0.168 0.000 1.127 665 A CA -0.507 51.632 52.037 0.171 0.000 0.810 665 A CB 0.231 19.427 19.000 0.327 0.000 1.066 665 A HN 0.353 nan 8.150 nan 0.000 0.492 666 K N 1.672 122.161 120.400 0.148 0.000 2.339 666 K HA 0.347 4.667 4.320 -0.000 0.000 0.286 666 K C -0.982 175.748 176.600 0.218 0.000 1.050 666 K CA 0.155 56.537 56.287 0.159 0.000 0.956 666 K CB 0.603 33.182 32.500 0.131 0.000 0.990 666 K HN 0.579 nan 8.250 nan 0.000 0.475 667 L N 4.204 125.583 121.223 0.260 0.000 2.264 667 L HA 0.315 4.655 4.340 -0.000 0.000 0.289 667 L C -0.382 176.759 176.870 0.451 0.000 1.044 667 L CA -0.870 54.187 54.840 0.361 0.000 0.807 667 L CB 0.858 43.183 42.059 0.443 0.000 1.192 667 L HN 0.654 nan 8.230 nan 0.000 0.425 668 c N 2.052 120.893 118.600 0.403 0.000 2.529 668 c HA 0.459 5.029 4.570 -0.000 0.000 0.329 668 c C -0.222 174.150 174.090 0.470 0.000 1.194 668 c CA -0.967 55.578 56.329 0.361 0.000 1.779 668 c CB 1.428 44.047 42.510 0.182 0.000 2.322 668 c HN 0.624 nan 8.230 nan 0.000 0.500 669 Y N 2.586 123.082 120.300 0.327 0.000 2.328 669 Y HA 0.538 5.088 4.550 -0.000 0.000 0.337 669 Y C -0.233 175.703 175.900 0.061 0.000 1.008 669 Y CA -0.256 58.029 58.100 0.308 0.000 1.129 669 Y CB 0.548 39.115 38.460 0.179 0.000 1.185 669 Y HN 0.791 nan 8.280 nan 0.000 0.476 670 N N 4.407 122.633 118.700 -0.791 0.000 2.314 670 N HA 0.417 5.157 4.740 -0.000 0.000 0.294 670 N C -2.046 173.141 175.510 -0.538 0.000 1.029 670 N CA -0.324 52.414 53.050 -0.520 0.000 0.845 670 N CB 1.341 39.693 38.487 -0.225 0.000 1.321 670 N HN 0.771 nan 8.380 nan 0.000 0.481 671 D N 0.379 120.577 120.400 -0.336 0.000 2.639 671 D HA 0.258 4.898 4.640 -0.000 0.000 0.271 671 D C -1.428 174.791 176.300 -0.136 0.000 1.254 671 D CA -0.268 53.629 54.000 -0.171 0.000 0.810 671 D CB 0.971 41.714 40.800 -0.095 0.000 1.351 671 D HN 0.426 nan 8.370 nan 0.000 0.427 672 Y N -0.401 119.795 120.300 -0.174 0.000 2.621 672 Y HA 0.568 5.118 4.550 0.000 0.000 0.334 672 Y C 0.540 176.398 175.900 -0.070 0.000 1.074 672 Y CA -0.932 57.086 58.100 -0.138 0.000 1.149 672 Y CB 0.530 38.933 38.460 -0.094 0.000 1.302 672 Y HN 0.290 nan 8.280 nan 0.000 0.501 673 N N 0.371 119.056 118.700 -0.025 0.000 2.747 673 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 673 N C -0.387 175.056 175.510 -0.112 0.000 1.107 673 N CA 1.454 54.438 53.050 -0.109 0.000 0.707 673 N CB -1.448 37.095 38.487 0.093 0.000 1.054 673 N HN 0.876 nan 8.380 nan 0.000 0.555 674 I N -4.039 116.489 120.570 -0.070 0.000 3.658 674 I HA 0.340 4.510 4.170 -0.000 0.000 0.328 674 I C 0.730 177.001 176.117 0.257 0.000 1.567 674 I CA -0.466 60.873 61.300 0.065 0.000 1.078 674 I CB 0.611 38.620 38.000 0.014 0.000 1.267 674 I HN -0.231 nan 8.210 nan 0.000 0.495 675 E N 0.962 121.207 120.200 0.074 0.000 2.166 675 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 675 E C 0.725 177.419 176.600 0.156 0.000 0.967 675 E CA 0.263 56.735 56.400 0.120 0.000 0.840 675 E CB 0.075 29.593 29.700 -0.304 0.000 0.795 675 E HN 0.363 nan 8.360 nan 0.000 0.470 676 N N 0.925 119.552 118.700 -0.122 0.000 2.420 676 N HA -0.083 4.657 4.740 -0.000 0.000 0.262 676 N C 0.187 175.764 175.510 0.113 0.000 1.144 676 N CA -0.023 52.965 53.050 -0.103 0.000 0.952 676 N CB 0.340 38.538 38.487 -0.481 0.000 1.081 676 N HN 0.281 nan 8.380 nan 0.000 0.480 677 W N 3.749 125.099 121.300 0.083 0.000 2.350 677 W HA -0.205 4.455 4.660 -0.000 0.000 0.289 677 W C 1.327 177.929 176.519 0.138 0.000 1.215 677 W CA 2.013 59.424 57.345 0.109 0.000 1.236 677 W CB -0.077 29.411 29.460 0.046 0.000 1.130 677 W HN 0.645 nan 8.180 nan 0.000 0.541 678 T N -2.587 112.027 114.554 0.099 0.000 3.072 678 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 678 T C 0.271 175.035 174.700 0.106 0.000 1.127 678 T CA 0.207 62.345 62.100 0.063 0.000 1.107 678 T CB -0.706 68.270 68.868 0.180 0.000 0.910 678 T HN -0.036 nan 8.240 nan 0.000 0.513 679 W N 1.466 122.673 121.300 -0.156 0.000 2.253 679 W HA 0.696 5.356 4.660 -0.000 0.000 0.322 679 W C 1.551 177.958 176.519 -0.186 0.000 1.342 679 W CA -1.128 56.145 57.345 -0.120 0.000 1.218 679 W CB 0.297 29.726 29.460 -0.053 0.000 1.205 679 W HN 0.197 nan 8.180 nan 0.000 0.551 680 A N 3.457 126.274 122.820 -0.004 0.000 1.940 680 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 680 A C 2.079 179.651 177.584 -0.020 0.000 1.176 680 A CA 1.924 53.928 52.037 -0.054 0.000 0.631 680 A CB -0.510 18.460 19.000 -0.049 0.000 0.814 680 A HN 0.725 nan 8.150 nan 0.000 0.446 681 K N -0.922 119.517 120.400 0.064 0.000 2.063 681 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 681 K C 2.042 178.607 176.600 -0.058 0.000 1.048 681 K CA 1.923 58.241 56.287 0.052 0.000 0.928 681 K CB -0.344 32.228 32.500 0.119 0.000 0.713 681 K HN 0.500 nan 8.250 nan 0.000 0.442 682 T N 1.353 115.907 114.554 -0.001 0.000 2.684 682 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 682 T C 1.769 176.426 174.700 -0.071 0.000 1.036 682 T CA 1.538 63.651 62.100 0.022 0.000 1.148 682 T CB -0.168 68.717 68.868 0.028 0.000 0.863 682 T HN 0.408 nan 8.240 nan 0.000 0.436 683 Q N 0.256 119.876 119.800 -0.299 0.000 2.172 683 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 683 Q C 2.758 178.686 176.000 -0.121 0.000 0.964 683 Q CA 1.109 56.717 55.803 -0.326 0.000 0.855 683 Q CB -0.356 28.125 28.738 -0.427 0.000 0.918 683 Q HN 0.600 nan 8.270 nan 0.000 0.444 684 G N 0.555 109.264 108.800 -0.151 0.000 2.402 684 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 684 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 684 G C 1.526 176.126 174.900 -0.501 0.000 1.162 684 G CA 0.629 45.644 45.100 -0.143 0.000 0.777 684 G HN 0.186 nan 8.290 nan 0.000 0.539 685 V N -0.134 119.326 119.914 -0.756 0.000 2.358 685 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 685 V C 2.259 178.244 176.094 -0.180 0.000 1.047 685 V CA 1.696 63.541 62.300 -0.759 0.000 1.035 685 V CB -0.702 30.859 31.823 -0.437 0.000 0.658 685 V HN 0.483 nan 8.190 nan 0.000 0.452 686 Y N 1.988 122.242 120.300 -0.077 0.000 2.128 686 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 686 Y C 2.533 178.283 175.900 -0.250 0.000 1.154 686 Y CA 2.142 60.050 58.100 -0.321 0.000 1.149 686 Y CB -0.300 37.946 38.460 -0.357 0.000 0.976 686 Y HN 0.298 nan 8.280 nan 0.000 0.505 687 N N 0.122 118.786 118.700 -0.061 0.000 2.166 687 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 687 N C 2.004 177.376 175.510 -0.230 0.000 1.019 687 N CA 1.801 54.794 53.050 -0.096 0.000 0.856 687 N CB -0.553 37.937 38.487 0.003 0.000 0.993 687 N HN 0.544 nan 8.380 nan 0.000 0.426 688 M N 0.429 119.847 119.600 -0.304 0.000 2.099 688 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 688 M C 1.578 177.411 176.300 -0.779 0.000 1.067 688 M CA 1.230 56.222 55.300 -0.513 0.000 1.124 688 M CB 0.066 32.349 32.600 -0.528 0.000 1.353 688 M HN -0.129 nan 8.290 nan 0.000 0.410 689 V N 0.691 120.235 119.914 -0.618 0.000 2.407 689 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 689 V C 2.493 178.385 176.094 -0.337 0.000 1.055 689 V CA 2.184 64.206 62.300 -0.464 0.000 1.049 689 V CB -1.068 30.632 31.823 -0.206 0.000 0.662 689 V HN 0.558 nan 8.190 nan 0.000 0.455 690 R N 0.394 120.629 120.500 -0.442 0.000 2.081 690 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 690 R C 2.147 178.351 176.300 -0.160 0.000 1.131 690 R CA 2.273 58.163 56.100 -0.350 0.000 0.960 690 R CB -0.466 29.568 30.300 -0.442 0.000 0.856 690 R HN 0.609 nan 8.270 nan 0.000 0.436 691 D N -0.374 119.942 120.400 -0.141 0.000 2.117 691 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 691 D C 1.660 178.041 176.300 0.136 0.000 0.987 691 D CA 1.307 55.301 54.000 -0.010 0.000 0.829 691 D CB -0.106 40.689 40.800 -0.008 0.000 0.961 691 D HN 0.164 nan 8.370 nan 0.000 0.460 692 F N 1.053 120.923 119.950 -0.134 0.000 2.069 692 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 692 F C 2.376 178.110 175.800 -0.111 0.000 1.113 692 F CA 0.954 58.870 58.000 -0.139 0.000 1.214 692 F CB -0.844 38.024 39.000 -0.219 0.000 0.978 692 F HN -0.002 nan 8.300 nan 0.000 0.474 693 K N 0.428 120.884 120.400 0.093 0.000 2.057 693 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 693 K C 1.994 178.600 176.600 0.011 0.000 1.049 693 K CA 1.160 57.461 56.287 0.023 0.000 0.931 693 K CB -0.703 31.788 32.500 -0.016 0.000 0.714 693 K HN 0.450 nan 8.250 nan 0.000 0.440 694 Q N -0.066 119.739 119.800 0.009 0.000 2.167 694 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 694 Q C 1.637 177.643 176.000 0.011 0.000 0.970 694 Q CA 1.110 56.916 55.803 0.005 0.000 0.855 694 Q CB 0.022 28.760 28.738 0.000 0.000 0.911 694 Q HN 0.215 nan 8.270 nan 0.000 0.438 695 R N -0.821 119.692 120.500 0.020 0.000 2.359 695 R HA 0.125 4.465 4.340 -0.000 0.000 0.231 695 R C 0.665 176.956 176.300 -0.015 0.000 0.913 695 R CA 0.491 56.595 56.100 0.007 0.000 1.075 695 R CB 0.735 31.044 30.300 0.015 0.000 1.087 695 R HN 0.326 nan 8.270 nan 0.000 0.515 696 G N 1.114 109.905 108.800 -0.014 0.000 2.143 696 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 696 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 696 G C 0.163 175.026 174.900 -0.061 0.000 0.991 696 G CA -0.011 45.073 45.100 -0.026 0.000 0.689 696 G HN 0.144 nan 8.290 nan 0.000 0.522 697 V N 2.800 122.646 119.914 -0.114 0.000 2.521 697 V HA 0.335 4.455 4.120 -0.000 0.000 0.286 697 V C -0.970 175.021 176.094 -0.172 0.000 1.034 697 V CA -0.896 61.253 62.300 -0.252 0.000 1.045 697 V CB 1.136 32.561 31.823 -0.664 0.000 0.974 697 V HN 0.304 nan 8.190 nan 0.000 0.480 698 P HA 0.302 nan 4.420 nan 0.000 0.270 698 P C -0.660 176.654 177.300 0.024 0.000 1.242 698 P CA 0.306 63.408 63.100 0.003 0.000 0.768 698 P CB 0.934 32.671 31.700 0.062 0.000 0.820 699 I N 2.845 123.420 120.570 0.007 0.000 2.680 699 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 699 I C -0.282 175.883 176.117 0.079 0.000 1.244 699 I CA -0.520 60.772 61.300 -0.012 0.000 1.042 699 I CB 2.444 40.302 38.000 -0.236 0.000 1.277 699 I HN 0.088 nan 8.210 nan 0.000 0.423 700 D N 5.713 126.204 120.400 0.151 0.000 2.454 700 D HA 0.206 4.846 4.640 -0.000 0.000 0.214 700 D C -0.180 176.204 176.300 0.141 0.000 1.088 700 D CA 0.460 54.542 54.000 0.135 0.000 0.855 700 D CB 0.751 41.639 40.800 0.145 0.000 1.025 700 D HN 0.576 nan 8.370 nan 0.000 0.502 701 c N -0.907 117.792 118.600 0.165 0.000 3.311 701 c HA 0.774 5.344 4.570 -0.000 0.000 0.325 701 c C -0.727 173.447 174.090 0.140 0.000 1.352 701 c CA -0.988 55.434 56.329 0.155 0.000 1.308 701 c CB 1.616 44.219 42.510 0.155 0.000 1.619 701 c HN -0.106 nan 8.230 nan 0.000 0.469 702 V N 1.265 121.227 119.914 0.080 0.000 2.531 702 V HA 0.775 4.895 4.120 -0.000 0.000 0.301 702 V C 0.581 176.536 176.094 -0.233 0.000 1.034 702 V CA 0.192 62.426 62.300 -0.110 0.000 0.865 702 V CB 1.764 33.402 31.823 -0.308 0.000 0.995 702 V HN 1.370 nan 8.190 nan 0.000 0.424 703 G N 3.448 112.068 108.800 -0.299 0.000 2.322 703 G HA2 0.619 4.579 3.960 -0.000 0.000 0.309 703 G HA3 0.619 4.579 3.960 -0.000 0.000 0.309 703 G C -1.038 173.589 174.900 -0.455 0.000 1.121 703 G CA -0.246 44.718 45.100 -0.226 0.000 0.886 703 G HN 0.443 nan 8.290 nan 0.000 0.447 704 F N 1.520 121.427 119.950 -0.070 0.000 2.313 704 F HA 0.274 4.801 4.527 -0.000 0.000 0.369 704 F C 1.695 177.391 175.800 -0.175 0.000 1.109 704 F CA -0.592 57.360 58.000 -0.079 0.000 1.132 704 F CB 1.832 40.895 39.000 0.106 0.000 1.291 704 F HN 0.541 nan 8.300 nan 0.000 0.496 705 Q N 1.200 120.901 119.800 -0.165 0.000 2.152 705 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 705 Q C 0.731 176.407 176.000 -0.540 0.000 0.985 705 Q CA 1.519 57.106 55.803 -0.359 0.000 0.863 705 Q CB -0.152 28.402 28.738 -0.307 0.000 0.904 705 Q HN 0.759 nan 8.270 nan 0.000 0.422 706 S N 0.252 115.613 115.700 -0.565 0.000 3.783 706 S HA -0.120 4.350 4.470 -0.000 0.000 0.360 706 S C -0.767 173.186 174.600 -1.079 0.000 1.006 706 S CA 0.078 57.643 58.200 -1.057 0.000 1.115 706 S CB -1.498 61.312 63.200 -0.650 0.000 0.893 706 S HN 0.416 nan 8.310 nan 0.000 0.475 707 H N 0.661 119.362 119.070 -0.614 0.000 2.908 707 H HA 0.339 4.895 4.556 0.000 0.000 0.269 707 H C 0.014 175.161 175.328 -0.302 0.000 1.303 707 H CA -0.109 55.775 56.048 -0.272 0.000 1.341 707 H CB -0.214 29.527 29.762 -0.034 0.000 1.519 707 H HN 0.270 nan 8.280 nan 0.000 0.505 708 F N 2.917 122.899 119.950 0.052 0.000 2.394 708 F HA 0.197 4.724 4.527 -0.000 0.000 0.340 708 F C 0.765 176.578 175.800 0.022 0.000 1.105 708 F CA -0.675 57.324 58.000 -0.002 0.000 1.124 708 F CB 1.041 40.005 39.000 -0.060 0.000 1.145 708 F HN 0.540 nan 8.300 nan 0.000 0.505 709 N N -2.140 116.700 118.700 0.233 0.000 3.106 709 N HA 0.204 4.944 4.740 -0.000 0.000 0.253 709 N C -0.054 175.529 175.510 0.123 0.000 1.506 709 N CA -0.395 52.737 53.050 0.136 0.000 0.876 709 N CB 0.520 39.059 38.487 0.088 0.000 1.452 709 N HN 0.213 nan 8.380 nan 0.000 0.542 710 S N -2.341 113.412 115.700 0.090 0.000 2.507 710 S HA 0.053 4.523 4.470 -0.000 0.000 0.235 710 S C 1.480 176.146 174.600 0.112 0.000 0.988 710 S CA 0.949 59.201 58.200 0.087 0.000 0.944 710 S CB -1.070 62.168 63.200 0.063 0.000 0.762 710 S HN 0.781 nan 8.310 nan 0.000 0.526 711 G N 0.281 109.156 108.800 0.126 0.000 2.459 711 G HA2 0.163 4.123 3.960 -0.000 0.000 0.213 711 G HA3 0.163 4.123 3.960 -0.000 0.000 0.213 711 G C 0.619 175.673 174.900 0.257 0.000 1.155 711 G CA 0.453 45.650 45.100 0.162 0.000 0.811 711 G HN 0.588 nan 8.290 nan 0.000 0.534 712 S N 1.753 117.588 115.700 0.225 0.000 2.204 712 S HA 0.473 4.943 4.470 -0.000 0.000 0.147 712 S C -2.779 171.915 174.600 0.157 0.000 1.711 712 S CA -1.228 57.089 58.200 0.195 0.000 1.274 712 S CB 1.246 64.530 63.200 0.140 0.000 1.257 712 S HN 0.074 nan 8.310 nan 0.000 0.404 713 P HA 0.132 nan 4.420 nan 0.000 0.274 713 P C -0.581 176.668 177.300 -0.086 0.000 1.237 713 P CA -0.408 62.735 63.100 0.072 0.000 0.793 713 P CB 0.438 32.168 31.700 0.050 0.000 0.977 714 Y N 2.580 122.580 120.300 -0.499 0.000 2.497 714 Y HA 0.204 4.754 4.550 -0.000 0.000 0.334 714 Y C 0.030 175.673 175.900 -0.428 0.000 1.199 714 Y CA 0.321 57.818 58.100 -1.004 0.000 1.425 714 Y CB 0.318 37.997 38.460 -1.301 0.000 1.291 714 Y HN 0.361 nan 8.280 nan 0.000 0.562 715 N N 2.388 120.317 118.700 -1.286 0.000 2.235 715 N HA 0.082 4.822 4.740 -0.000 0.000 0.293 715 N C 0.148 175.024 175.510 -1.056 0.000 1.083 715 N CA 0.194 52.734 53.050 -0.850 0.000 0.801 715 N CB 2.099 40.371 38.487 -0.358 0.000 1.559 715 N HN 0.804 nan 8.380 nan 0.000 0.472 716 S N 2.182 117.525 115.700 -0.596 0.000 2.440 716 S HA -0.214 4.256 4.470 -0.000 0.000 0.238 716 S C 1.206 175.737 174.600 -0.116 0.000 1.010 716 S CA 1.330 59.378 58.200 -0.253 0.000 0.972 716 S CB -0.553 62.616 63.200 -0.051 0.000 0.774 716 S HN 0.779 nan 8.310 nan 0.000 0.501 717 N N 1.117 119.755 118.700 -0.102 0.000 2.571 717 N HA -0.060 4.680 4.740 -0.000 0.000 0.189 717 N C 0.990 176.543 175.510 0.072 0.000 1.154 717 N CA 0.380 53.429 53.050 -0.000 0.000 0.907 717 N CB -1.007 37.518 38.487 0.064 0.000 0.977 717 N HN 0.438 nan 8.380 nan 0.000 0.449 718 F N 1.669 121.535 119.950 -0.141 0.000 2.216 718 F HA 0.026 4.553 4.527 0.000 0.000 0.300 718 F C 2.260 178.022 175.800 -0.063 0.000 1.085 718 F CA 0.828 58.783 58.000 -0.076 0.000 1.326 718 F CB -0.282 38.692 39.000 -0.043 0.000 1.027 718 F HN 0.091 nan 8.300 nan 0.000 0.497 719 R N -0.133 120.291 120.500 -0.127 0.000 2.096 719 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 719 R C 2.324 178.489 176.300 -0.226 0.000 1.127 719 R CA 1.991 57.946 56.100 -0.242 0.000 0.968 719 R CB -0.568 29.664 30.300 -0.113 0.000 0.861 719 R HN 0.473 nan 8.270 nan 0.000 0.440 720 T N -2.685 111.772 114.554 -0.161 0.000 2.904 720 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 720 T C 1.793 176.348 174.700 -0.241 0.000 1.059 720 T CA 1.612 63.578 62.100 -0.223 0.000 1.137 720 T CB -0.328 68.379 68.868 -0.268 0.000 0.879 720 T HN 0.140 nan 8.240 nan 0.000 0.467 721 T N 2.493 117.003 114.554 -0.073 0.000 2.708 721 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 721 T C 1.880 176.630 174.700 0.083 0.000 1.037 721 T CA 1.438 63.652 62.100 0.189 0.000 1.146 721 T CB -0.520 68.581 68.868 0.388 0.000 0.865 721 T HN 0.311 nan 8.240 nan 0.000 0.435 722 L N 0.730 121.761 121.223 -0.319 0.000 2.046 722 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 722 L C 2.913 179.733 176.870 -0.084 0.000 1.077 722 L CA 1.466 56.090 54.840 -0.361 0.000 0.747 722 L CB -0.653 41.035 42.059 -0.618 0.000 0.896 722 L HN 0.344 nan 8.230 nan 0.000 0.432 723 Q N -0.264 119.458 119.800 -0.129 0.000 2.084 723 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 723 Q C 2.059 178.033 176.000 -0.043 0.000 0.978 723 Q CA 1.449 57.198 55.803 -0.090 0.000 0.844 723 Q CB -0.193 28.462 28.738 -0.139 0.000 0.898 723 Q HN 0.492 nan 8.270 nan 0.000 0.426 724 N N 0.288 118.931 118.700 -0.095 0.000 2.069 724 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 724 N C 1.508 177.112 175.510 0.157 0.000 1.031 724 N CA 1.252 54.228 53.050 -0.122 0.000 0.852 724 N CB -0.370 37.796 38.487 -0.535 0.000 1.018 724 N HN 0.175 nan 8.380 nan 0.000 0.423 725 F N 1.223 121.312 119.950 0.232 0.000 2.186 725 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 725 F C 2.372 178.254 175.800 0.138 0.000 1.090 725 F CA 0.896 59.060 58.000 0.274 0.000 1.307 725 F CB -0.549 38.679 39.000 0.380 0.000 1.019 725 F HN 0.007 nan 8.300 nan 0.000 0.489 726 A N 0.056 123.032 122.820 0.260 0.000 1.940 726 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 726 A C 2.345 179.983 177.584 0.090 0.000 1.176 726 A CA 1.659 53.781 52.037 0.141 0.000 0.631 726 A CB -1.265 17.777 19.000 0.070 0.000 0.814 726 A HN 0.301 nan 8.150 nan 0.000 0.446 727 A N -0.573 122.290 122.820 0.071 0.000 2.125 727 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 727 A C 1.913 179.517 177.584 0.033 0.000 1.156 727 A CA 1.149 53.209 52.037 0.038 0.000 0.671 727 A CB -0.496 18.515 19.000 0.018 0.000 0.794 727 A HN 0.491 nan 8.150 nan 0.000 0.459 728 L N -1.549 119.696 121.223 0.036 0.000 2.492 728 L HA 0.142 4.482 4.340 -0.000 0.000 0.223 728 L C 1.603 178.477 176.870 0.006 0.000 1.132 728 L CA 0.632 55.459 54.840 -0.021 0.000 0.850 728 L CB -0.197 41.793 42.059 -0.115 0.000 0.966 728 L HN 0.580 nan 8.230 nan 0.000 0.454 729 G N 0.713 109.536 108.800 0.039 0.000 2.131 729 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.201 729 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.201 729 G C 0.019 174.956 174.900 0.061 0.000 1.000 729 G CA 0.022 45.147 45.100 0.042 0.000 0.680 729 G HN 0.208 nan 8.290 nan 0.000 0.514 730 V N -3.102 116.867 119.914 0.092 0.000 2.960 730 V HA 0.884 5.004 4.120 -0.000 0.000 0.315 730 V C -0.131 176.042 176.094 0.133 0.000 1.087 730 V CA -1.497 60.873 62.300 0.115 0.000 0.982 730 V CB 2.103 34.012 31.823 0.143 0.000 1.039 730 V HN 0.029 nan 8.190 nan 0.000 0.437 731 D N 1.196 121.672 120.400 0.128 0.000 2.354 731 D HA 0.626 5.266 4.640 -0.000 0.000 0.247 731 D C -0.085 176.311 176.300 0.159 0.000 1.138 731 D CA 0.127 54.202 54.000 0.124 0.000 0.958 731 D CB 2.012 42.880 40.800 0.113 0.000 1.144 731 D HN 0.943 nan 8.370 nan 0.000 0.458 732 V N -2.982 117.024 119.914 0.152 0.000 2.962 732 V HA 0.959 5.079 4.120 -0.000 0.000 0.313 732 V C -0.968 175.226 176.094 0.167 0.000 1.099 732 V CA -0.945 61.488 62.300 0.220 0.000 0.971 732 V CB 1.548 33.511 31.823 0.233 0.000 1.028 732 V HN 0.693 nan 8.190 nan 0.000 0.430 733 A N 3.277 126.236 122.820 0.231 0.000 2.574 733 A HA 0.845 5.165 4.320 -0.000 0.000 0.297 733 A C -1.048 176.665 177.584 0.215 0.000 1.062 733 A CA -0.659 51.473 52.037 0.159 0.000 0.686 733 A CB 1.571 20.673 19.000 0.170 0.000 1.285 733 A HN 0.981 nan 8.150 nan 0.000 0.403 734 I N 2.704 123.352 120.570 0.130 0.000 2.301 734 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 734 I C 1.522 177.661 176.117 0.038 0.000 1.046 734 I CA 0.081 61.460 61.300 0.132 0.000 1.282 734 I CB 1.507 39.577 38.000 0.117 0.000 1.409 734 I HN 0.903 nan 8.210 nan 0.000 0.484 735 T N 0.906 115.452 114.554 -0.014 0.000 3.040 735 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 735 T C 0.806 175.425 174.700 -0.135 0.000 1.064 735 T CA 0.351 62.411 62.100 -0.067 0.000 1.110 735 T CB 0.086 68.883 68.868 -0.119 0.000 0.921 735 T HN 0.593 nan 8.240 nan 0.000 0.480 736 E N 0.883 120.911 120.200 -0.286 0.000 3.843 736 E HA 0.309 4.659 4.350 -0.000 0.000 0.189 736 E C -1.057 175.308 176.600 -0.392 0.000 1.013 736 E CA -0.495 55.677 56.400 -0.380 0.000 1.395 736 E CB 0.662 29.720 29.700 -1.071 0.000 1.136 736 E HN 0.222 nan 8.360 nan 0.000 0.444 737 L N 3.007 124.140 121.223 -0.150 0.000 2.559 737 L HA 0.088 4.428 4.340 -0.000 0.000 0.274 737 L C -0.673 176.284 176.870 0.144 0.000 1.205 737 L CA 0.813 55.610 54.840 -0.072 0.000 0.907 737 L CB 0.078 42.171 42.059 0.058 0.000 1.153 737 L HN 0.179 nan 8.230 nan 0.000 0.490 738 D N 4.042 124.509 120.400 0.112 0.000 2.769 738 D HA 0.431 5.071 4.640 -0.000 0.000 0.219 738 D C -1.029 175.355 176.300 0.140 0.000 1.245 738 D CA -0.339 53.826 54.000 0.276 0.000 0.801 738 D CB 0.389 41.473 40.800 0.473 0.000 1.598 738 D HN 0.396 nan 8.370 nan 0.000 0.485 739 I N 0.913 121.533 120.570 0.082 0.000 2.439 739 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 739 I C 0.012 176.193 176.117 0.107 0.000 1.021 739 I CA -0.960 60.363 61.300 0.037 0.000 1.091 739 I CB 2.039 39.898 38.000 -0.235 0.000 1.242 739 I HN 0.395 nan 8.210 nan 0.000 0.439 740 Q N 5.269 125.130 119.800 0.103 0.000 2.264 740 Q HA 0.122 4.462 4.340 -0.000 0.000 0.296 740 Q C 1.139 177.181 176.000 0.071 0.000 1.103 740 Q CA 1.450 57.299 55.803 0.076 0.000 0.967 740 Q CB 0.346 29.118 28.738 0.057 0.000 1.090 740 Q HN 1.023 nan 8.270 nan 0.000 0.379 741 G N 3.186 112.031 108.800 0.075 0.000 2.241 741 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 741 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 741 G C 0.506 175.462 174.900 0.093 0.000 0.998 741 G CA 0.145 45.283 45.100 0.064 0.000 0.621 741 G HN 1.888 nan 8.290 nan 0.000 0.519 742 A N -0.918 121.996 122.820 0.157 0.000 2.687 742 A HA 0.090 4.410 4.320 -0.000 0.000 0.299 742 A C 1.286 179.011 177.584 0.235 0.000 1.497 742 A CA 1.849 54.064 52.037 0.297 0.000 0.751 742 A CB -1.965 17.201 19.000 0.277 0.000 1.048 742 A HN 2.480 nan 8.150 nan 0.000 0.464 743 S N -0.052 115.726 115.700 0.130 0.000 2.563 743 S HA 0.308 4.778 4.470 -0.000 0.000 0.294 743 S C 1.557 176.229 174.600 0.120 0.000 1.279 743 S CA 0.444 58.685 58.200 0.069 0.000 1.069 743 S CB 0.541 63.747 63.200 0.010 0.000 0.828 743 S HN 1.042 nan 8.310 nan 0.000 0.497 744 S N 4.208 119.941 115.700 0.056 0.000 2.368 744 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 744 S C 2.206 176.842 174.600 0.060 0.000 1.030 744 S CA 1.592 59.831 58.200 0.064 0.000 0.999 744 S CB -0.468 62.734 63.200 0.003 0.000 0.844 744 S HN 0.807 nan 8.310 nan 0.000 0.459 745 S N 1.156 116.865 115.700 0.016 0.000 2.368 745 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 745 S C 2.115 176.683 174.600 -0.054 0.000 1.030 745 S CA 1.531 59.730 58.200 -0.001 0.000 0.999 745 S CB -0.614 62.585 63.200 -0.003 0.000 0.844 745 S HN 0.588 nan 8.310 nan 0.000 0.459 746 T N 0.670 115.170 114.554 -0.090 0.000 2.777 746 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 746 T C 1.508 176.029 174.700 -0.298 0.000 1.040 746 T CA 1.042 62.976 62.100 -0.276 0.000 1.141 746 T CB -0.404 68.307 68.868 -0.262 0.000 0.868 746 T HN 0.343 nan 8.240 nan 0.000 0.444 747 Y N 1.585 121.810 120.300 -0.124 0.000 2.181 747 Y HA -0.012 4.538 4.550 -0.000 0.000 0.288 747 Y C 2.661 178.523 175.900 -0.063 0.000 1.146 747 Y CA 0.712 58.779 58.100 -0.055 0.000 1.164 747 Y CB -0.674 37.787 38.460 0.002 0.000 0.982 747 Y HN 0.204 nan 8.280 nan 0.000 0.515 748 A N -0.490 122.384 122.820 0.090 0.000 1.930 748 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 748 A C 2.422 179.998 177.584 -0.014 0.000 1.175 748 A CA 1.532 53.593 52.037 0.040 0.000 0.627 748 A CB -1.185 17.831 19.000 0.027 0.000 0.815 748 A HN 0.401 nan 8.150 nan 0.000 0.443 749 A N -0.409 122.344 122.820 -0.110 0.000 1.877 749 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 749 A C 2.220 179.715 177.584 -0.148 0.000 1.186 749 A CA 1.849 53.795 52.037 -0.151 0.000 0.620 749 A CB -0.983 17.835 19.000 -0.303 0.000 0.822 749 A HN 0.390 nan 8.150 nan 0.000 0.443 750 V N -0.207 119.533 119.914 -0.289 0.000 2.343 750 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 750 V C 2.740 178.906 176.094 0.119 0.000 1.051 750 V CA 2.467 64.748 62.300 -0.032 0.000 1.036 750 V CB -1.306 30.494 31.823 -0.039 0.000 0.654 750 V HN 0.614 nan 8.190 nan 0.000 0.451 751 T N 0.341 114.959 114.554 0.107 0.000 2.746 751 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 751 T C 1.821 176.568 174.700 0.078 0.000 1.039 751 T CA 1.627 63.811 62.100 0.139 0.000 1.142 751 T CB -0.383 68.581 68.868 0.159 0.000 0.866 751 T HN 0.424 nan 8.240 nan 0.000 0.444 752 N N 1.291 120.021 118.700 0.050 0.000 2.309 752 N HA -0.077 4.663 4.740 -0.000 0.000 0.182 752 N C 1.475 176.996 175.510 0.018 0.000 1.018 752 N CA 0.838 53.906 53.050 0.029 0.000 0.876 752 N CB -0.340 38.161 38.487 0.024 0.000 0.972 752 N HN 0.384 nan 8.380 nan 0.000 0.434 753 D N 0.216 120.638 120.400 0.036 0.000 2.117 753 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 753 D C 2.003 178.245 176.300 -0.096 0.000 0.982 753 D CA 0.536 54.522 54.000 -0.024 0.000 0.828 753 D CB -0.492 40.318 40.800 0.016 0.000 0.967 753 D HN 0.204 nan 8.370 nan 0.000 0.464 754 c N 0.495 119.066 118.600 -0.048 0.000 2.446 754 c HA -0.019 4.551 4.570 -0.000 0.000 0.277 754 c C 2.731 176.788 174.090 -0.055 0.000 1.275 754 c CA 0.263 56.550 56.329 -0.071 0.000 1.727 754 c CB -1.229 41.265 42.510 -0.027 0.000 2.010 754 c HN 0.273 nan 8.230 nan 0.000 0.486 755 L N 1.024 122.233 121.223 -0.023 0.000 2.275 755 L HA -0.026 4.314 4.340 -0.000 0.000 0.215 755 L C 2.768 179.620 176.870 -0.029 0.000 1.119 755 L CA 1.258 56.087 54.840 -0.018 0.000 0.790 755 L CB -0.517 41.542 42.059 0.001 0.000 0.919 755 L HN 0.449 nan 8.230 nan 0.000 0.443 756 A N -0.812 121.983 122.820 -0.042 0.000 2.123 756 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 756 A C 0.901 178.449 177.584 -0.061 0.000 1.152 756 A CA 0.260 52.269 52.037 -0.047 0.000 0.728 756 A CB 0.078 19.047 19.000 -0.051 0.000 0.814 756 A HN 0.121 nan 8.150 nan 0.000 0.464 757 V N 1.481 121.349 119.914 -0.075 0.000 2.334 757 V HA 0.159 4.279 4.120 -0.000 0.000 0.281 757 V C 1.477 177.542 176.094 -0.048 0.000 1.016 757 V CA 0.225 62.481 62.300 -0.074 0.000 0.832 757 V CB 0.956 32.710 31.823 -0.114 0.000 0.999 757 V HN 0.586 nan 8.190 nan 0.000 0.439 758 S N 4.665 120.347 115.700 -0.030 0.000 2.420 758 S HA -0.170 4.300 4.470 -0.000 0.000 0.237 758 S C 1.560 176.156 174.600 -0.006 0.000 1.023 758 S CA 0.995 59.186 58.200 -0.016 0.000 0.991 758 S CB -0.209 62.986 63.200 -0.008 0.000 0.792 758 S HN 0.669 nan 8.310 nan 0.000 0.488 759 R N 0.126 120.625 120.500 -0.001 0.000 2.313 759 R HA 0.197 4.537 4.340 -0.000 0.000 0.199 759 R C 0.364 176.675 176.300 0.017 0.000 0.958 759 R CA 0.069 56.182 56.100 0.021 0.000 1.047 759 R CB -0.968 29.358 30.300 0.042 0.000 0.955 759 R HN 0.497 nan 8.270 nan 0.000 0.481 760 c N 1.895 120.484 118.600 -0.019 0.000 2.540 760 c HA 0.192 4.762 4.570 -0.000 0.000 0.377 760 c C 2.062 176.114 174.090 -0.064 0.000 1.274 760 c CA -0.595 55.710 56.329 -0.039 0.000 1.718 760 c CB -1.010 41.452 42.510 -0.081 0.000 2.391 760 c HN 0.442 nan 8.230 nan 0.000 0.565 761 L N 5.474 126.666 121.223 -0.052 0.000 2.141 761 L HA 0.234 4.574 4.340 -0.000 0.000 0.209 761 L C 1.541 178.136 176.870 -0.457 0.000 1.094 761 L CA 1.165 55.954 54.840 -0.085 0.000 0.763 761 L CB -0.746 41.382 42.059 0.115 0.000 0.908 761 L HN 0.959 nan 8.230 nan 0.000 0.437 762 G N -0.667 107.752 108.800 -0.636 0.000 2.327 762 G HA2 0.329 4.289 3.960 -0.000 0.000 0.291 762 G HA3 0.329 4.289 3.960 -0.000 0.000 0.291 762 G C -1.752 172.745 174.900 -0.672 0.000 1.290 762 G CA -0.801 43.681 45.100 -1.031 0.000 0.857 762 G HN -0.106 nan 8.290 nan 0.000 0.520 763 I N 0.375 120.593 120.570 -0.586 0.000 2.582 763 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 763 I C -0.475 175.361 176.117 -0.467 0.000 1.066 763 I CA -0.698 60.350 61.300 -0.421 0.000 1.053 763 I CB 2.673 40.394 38.000 -0.465 0.000 1.241 763 I HN 0.407 nan 8.210 nan 0.000 0.421 764 T N 5.117 119.557 114.554 -0.189 0.000 2.812 764 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 764 T C -0.342 174.333 174.700 -0.042 0.000 0.990 764 T CA -0.526 61.513 62.100 -0.102 0.000 0.960 764 T CB 1.785 70.681 68.868 0.047 0.000 0.948 764 T HN 0.379 nan 8.240 nan 0.000 0.438 765 V N 1.067 120.995 119.914 0.024 0.000 2.539 765 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 765 V C 0.247 176.473 176.094 0.219 0.000 1.045 765 V CA -1.153 61.276 62.300 0.215 0.000 0.945 765 V CB 1.332 33.399 31.823 0.407 0.000 0.993 765 V HN 1.013 nan 8.190 nan 0.000 0.464 766 W N 5.068 126.399 121.300 0.052 0.000 1.303 766 W HA 0.529 5.189 4.660 -0.000 0.000 0.478 766 W C 0.595 177.182 176.519 0.113 0.000 0.604 766 W CA 0.737 58.107 57.345 0.042 0.000 2.319 766 W CB -0.067 29.461 29.460 0.114 0.000 1.443 766 W HN 1.225 nan 8.180 nan 0.000 0.249 767 G N -0.047 108.688 108.800 -0.109 0.000 2.340 767 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.527 767 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.527 767 G C -0.599 174.312 174.900 0.018 0.000 1.381 767 G CA -0.644 44.410 45.100 -0.075 0.000 1.001 767 G HN 0.029 nan 8.290 nan 0.000 0.626 768 V N 0.351 120.298 119.914 0.054 0.000 2.398 768 V HA 0.317 4.437 4.120 -0.000 0.000 0.236 768 V C 1.521 177.759 176.094 0.239 0.000 1.054 768 V CA 1.446 63.800 62.300 0.090 0.000 1.060 768 V CB -0.423 31.297 31.823 -0.171 0.000 0.707 768 V HN 0.682 nan 8.190 nan 0.000 0.480 769 R N 0.564 121.188 120.500 0.207 0.000 2.598 769 R HA 0.292 4.632 4.340 -0.000 0.000 0.279 769 R C 0.642 177.064 176.300 0.203 0.000 0.984 769 R CA -0.637 55.601 56.100 0.230 0.000 0.999 769 R CB 0.879 31.284 30.300 0.174 0.000 1.114 769 R HN 0.183 nan 8.270 nan 0.000 0.493 770 D N 0.695 121.206 120.400 0.185 0.000 2.158 770 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 770 D C 1.621 177.993 176.300 0.120 0.000 0.995 770 D CA 2.121 56.211 54.000 0.151 0.000 0.846 770 D CB -0.129 40.741 40.800 0.116 0.000 0.941 770 D HN 0.683 nan 8.370 nan 0.000 0.456 771 T N -1.674 112.942 114.554 0.104 0.000 3.007 771 T HA -0.088 4.262 4.350 -0.000 0.000 0.270 771 T C 1.128 175.871 174.700 0.073 0.000 1.107 771 T CA 0.755 62.900 62.100 0.075 0.000 1.118 771 T CB 0.062 68.965 68.868 0.058 0.000 0.889 771 T HN -0.005 nan 8.240 nan 0.000 0.506 772 D N 1.892 122.354 120.400 0.103 0.000 2.354 772 D HA 0.079 4.719 4.640 -0.000 0.000 0.209 772 D C 1.060 177.431 176.300 0.119 0.000 1.015 772 D CA 0.253 54.305 54.000 0.088 0.000 0.867 772 D CB 0.109 40.996 40.800 0.145 0.000 0.933 772 D HN 0.603 nan 8.370 nan 0.000 0.520 773 S N 1.161 116.962 115.700 0.169 0.000 2.572 773 S HA 0.018 4.488 4.470 -0.000 0.000 0.279 773 S C 1.378 176.155 174.600 0.295 0.000 1.341 773 S CA -0.918 57.446 58.200 0.273 0.000 1.043 773 S CB 0.840 64.200 63.200 0.266 0.000 0.887 773 S HN 0.367 nan 8.310 nan 0.000 0.516 774 W N 2.291 123.669 121.300 0.130 0.000 2.525 774 W HA 0.128 4.788 4.660 0.000 0.000 0.259 774 W C 0.358 176.928 176.519 0.085 0.000 1.253 774 W CA -0.012 57.403 57.345 0.117 0.000 1.262 774 W CB -0.913 28.659 29.460 0.187 0.000 1.122 774 W HN 0.644 nan 8.180 nan 0.000 0.607 775 R N 1.555 121.841 120.500 -0.357 0.000 2.782 775 R HA 0.081 4.421 4.340 -0.000 0.000 0.293 775 R C 1.672 177.880 176.300 -0.153 0.000 1.333 775 R CA 0.480 56.316 56.100 -0.441 0.000 1.479 775 R CB 0.455 30.261 30.300 -0.824 0.000 1.306 775 R HN 0.051 nan 8.270 nan 0.000 0.654 776 S N -1.003 114.672 115.700 -0.041 0.000 2.420 776 S HA -0.159 4.311 4.470 -0.000 0.000 0.237 776 S C 1.962 176.562 174.600 -0.001 0.000 1.023 776 S CA 1.417 59.626 58.200 0.015 0.000 0.991 776 S CB -0.154 63.066 63.200 0.033 0.000 0.792 776 S HN 0.559 nan 8.310 nan 0.000 0.488 777 G N 1.276 110.056 108.800 -0.033 0.000 2.470 777 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.220 777 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.220 777 G C 0.894 175.782 174.900 -0.019 0.000 1.121 777 G CA 0.822 45.907 45.100 -0.024 0.000 0.766 777 G HN 0.528 nan 8.290 nan 0.000 0.553 778 D N 0.582 120.961 120.400 -0.035 0.000 2.328 778 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 778 D C 1.489 177.811 176.300 0.037 0.000 1.072 778 D CA 0.916 54.910 54.000 -0.010 0.000 0.850 778 D CB -0.349 40.427 40.800 -0.040 0.000 0.922 778 D HN 0.349 nan 8.370 nan 0.000 0.516 779 T N -0.420 114.162 114.554 0.046 0.000 3.318 779 T HA -0.162 4.188 4.350 -0.000 0.000 0.413 779 T C -1.694 173.080 174.700 0.122 0.000 0.771 779 T CA 0.205 62.352 62.100 0.077 0.000 2.056 779 T CB -0.968 67.932 68.868 0.054 0.000 1.684 779 T HN 0.174 nan 8.240 nan 0.000 0.610 780 P HA 0.339 nan 4.420 nan 0.000 0.261 780 P C 0.656 178.180 177.300 0.374 0.000 1.268 780 P CA -0.264 62.983 63.100 0.244 0.000 0.833 780 P CB 0.427 32.256 31.700 0.214 0.000 1.231 781 L N -0.921 120.490 121.223 0.313 0.000 2.578 781 L HA 0.379 4.719 4.340 -0.000 0.000 0.259 781 L C 1.944 178.918 176.870 0.174 0.000 1.082 781 L CA -1.069 53.969 54.840 0.331 0.000 0.843 781 L CB 0.500 42.752 42.059 0.322 0.000 1.535 781 L HN -0.287 nan 8.230 nan 0.000 0.510 782 L N -0.593 120.708 121.223 0.130 0.000 2.529 782 L HA 0.203 4.543 4.340 -0.000 0.000 0.223 782 L C -0.568 176.128 176.870 -0.289 0.000 1.113 782 L CA 0.352 55.117 54.840 -0.125 0.000 0.861 782 L CB 0.076 42.048 42.059 -0.146 0.000 1.012 782 L HN 0.231 nan 8.230 nan 0.000 0.461 783 F N -0.124 119.877 119.950 0.085 0.000 2.563 783 F HA 0.309 4.836 4.527 -0.000 0.000 0.316 783 F C 0.294 176.117 175.800 0.039 0.000 1.076 783 F CA -1.354 56.667 58.000 0.036 0.000 0.921 783 F CB 1.204 40.226 39.000 0.037 0.000 1.209 783 F HN -0.084 nan 8.300 nan 0.000 0.462 784 N N 0.030 118.833 118.700 0.171 0.000 2.538 784 N HA 0.423 5.163 4.740 -0.000 0.000 0.292 784 N C 1.156 176.734 175.510 0.112 0.000 1.262 784 N CA -0.280 52.834 53.050 0.107 0.000 0.976 784 N CB -0.007 38.501 38.487 0.035 0.000 1.161 784 N HN 0.615 nan 8.380 nan 0.000 0.598 785 G N -0.561 108.284 108.800 0.075 0.000 2.513 785 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 785 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 785 G C 0.635 175.567 174.900 0.054 0.000 1.160 785 G CA 1.585 46.723 45.100 0.064 0.000 0.767 785 G HN 0.888 nan 8.290 nan 0.000 0.571 786 D N -0.743 119.681 120.400 0.040 0.000 2.352 786 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 786 D C 1.674 177.995 176.300 0.035 0.000 1.055 786 D CA 0.705 54.721 54.000 0.027 0.000 0.891 786 D CB -0.536 40.269 40.800 0.008 0.000 0.897 786 D HN 0.579 nan 8.370 nan 0.000 0.529 787 G N -0.030 108.811 108.800 0.068 0.000 2.159 787 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.256 787 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.256 787 G C 0.370 175.363 174.900 0.155 0.000 0.977 787 G CA 0.340 45.489 45.100 0.083 0.000 0.652 787 G HN 0.805 nan 8.290 nan 0.000 0.531 788 S N -0.305 115.457 115.700 0.103 0.000 2.584 788 S HA 0.623 5.093 4.470 -0.000 0.000 0.273 788 S C 0.238 174.840 174.600 0.003 0.000 1.311 788 S CA -0.414 57.810 58.200 0.042 0.000 1.034 788 S CB 1.689 64.868 63.200 -0.035 0.000 0.939 788 S HN 0.433 nan 8.310 nan 0.000 0.513 789 K N 1.900 122.192 120.400 -0.181 0.000 2.368 789 K HA 0.184 4.504 4.320 -0.000 0.000 0.282 789 K C 0.146 176.568 176.600 -0.297 0.000 1.035 789 K CA -0.056 55.916 56.287 -0.524 0.000 0.973 789 K CB 0.503 32.567 32.500 -0.727 0.000 0.957 789 K HN 0.542 nan 8.250 nan 0.000 0.474 790 K N 0.924 121.153 120.400 -0.285 0.000 2.098 790 K HA 0.182 4.502 4.320 -0.000 0.000 0.244 790 K C 1.195 177.746 176.600 -0.082 0.000 1.014 790 K CA -0.280 55.919 56.287 -0.147 0.000 0.917 790 K CB 0.816 33.245 32.500 -0.118 0.000 1.072 790 K HN 0.630 nan 8.250 nan 0.000 0.477 791 A N 1.117 123.914 122.820 -0.037 0.000 1.940 791 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 791 A C 2.145 179.737 177.584 0.013 0.000 1.176 791 A CA 2.266 54.326 52.037 0.039 0.000 0.631 791 A CB -0.953 18.068 19.000 0.035 0.000 0.814 791 A HN 0.786 nan 8.150 nan 0.000 0.446 792 A N -1.605 121.186 122.820 -0.049 0.000 1.972 792 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 792 A C 2.057 179.507 177.584 -0.222 0.000 1.169 792 A CA 1.589 53.561 52.037 -0.109 0.000 0.635 792 A CB -0.739 18.171 19.000 -0.151 0.000 0.810 792 A HN 0.774 nan 8.150 nan 0.000 0.446 793 Y N 1.303 121.397 120.300 -0.344 0.000 2.128 793 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 793 Y C 2.560 178.298 175.900 -0.269 0.000 1.154 793 Y CA 2.434 60.289 58.100 -0.408 0.000 1.149 793 Y CB -0.730 37.392 38.460 -0.564 0.000 0.976 793 Y HN 0.296 nan 8.280 nan 0.000 0.505 794 T N 0.759 115.322 114.554 0.016 0.000 2.788 794 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 794 T C 2.094 176.743 174.700 -0.086 0.000 1.044 794 T CA 1.304 63.405 62.100 0.001 0.000 1.139 794 T CB -0.725 68.195 68.868 0.086 0.000 0.867 794 T HN 0.506 nan 8.240 nan 0.000 0.454 795 A N 0.926 123.709 122.820 -0.061 0.000 1.898 795 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 795 A C 2.571 180.101 177.584 -0.090 0.000 1.181 795 A CA 1.209 53.227 52.037 -0.031 0.000 0.620 795 A CB -0.898 18.115 19.000 0.021 0.000 0.819 795 A HN 0.360 nan 8.150 nan 0.000 0.442 796 V N -0.369 119.430 119.914 -0.192 0.000 2.307 796 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 796 V C 2.471 178.388 176.094 -0.295 0.000 1.045 796 V CA 1.839 64.009 62.300 -0.217 0.000 1.024 796 V CB -0.766 30.850 31.823 -0.345 0.000 0.651 796 V HN 0.569 nan 8.190 nan 0.000 0.449 797 L N 0.963 121.916 121.223 -0.450 0.000 2.012 797 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 797 L C 2.221 178.978 176.870 -0.188 0.000 1.073 797 L CA 2.009 56.618 54.840 -0.384 0.000 0.748 797 L CB -0.973 40.828 42.059 -0.430 0.000 0.891 797 L HN 0.323 nan 8.230 nan 0.000 0.431 798 N N 0.035 118.656 118.700 -0.133 0.000 2.120 798 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 798 N C 1.827 177.306 175.510 -0.051 0.000 1.024 798 N CA 1.544 54.554 53.050 -0.067 0.000 0.852 798 N CB -0.521 37.944 38.487 -0.036 0.000 1.003 798 N HN 0.527 nan 8.380 nan 0.000 0.424 799 A N 1.319 124.109 122.820 -0.051 0.000 1.877 799 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 799 A C 2.379 179.951 177.584 -0.021 0.000 1.186 799 A CA 0.909 52.933 52.037 -0.022 0.000 0.620 799 A CB -0.786 18.213 19.000 -0.003 0.000 0.822 799 A HN 0.212 nan 8.150 nan 0.000 0.443 800 L N -0.169 121.029 121.223 -0.042 0.000 2.083 800 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 800 L C 1.558 178.411 176.870 -0.028 0.000 1.083 800 L CA 1.042 55.865 54.840 -0.028 0.000 0.752 800 L CB -0.542 41.480 42.059 -0.062 0.000 0.899 800 L HN 0.361 nan 8.230 nan 0.000 0.433 801 N N -0.048 118.626 118.700 -0.042 0.000 2.449 801 N HA 0.010 4.750 4.740 -0.000 0.000 0.191 801 N C 1.300 176.799 175.510 -0.019 0.000 1.161 801 N CA 1.021 54.053 53.050 -0.031 0.000 0.863 801 N CB 0.856 39.321 38.487 -0.037 0.000 0.980 801 N HN 0.476 nan 8.380 nan 0.000 0.458 802 G N -0.788 108.003 108.800 -0.015 0.000 2.211 802 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.201 802 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.201 802 G C 0.515 175.411 174.900 -0.007 0.000 0.997 802 G CA 0.176 45.271 45.100 -0.009 0.000 0.652 802 G HN 0.691 nan 8.290 nan 0.000 0.500 814 Q N -0.915 118.941 119.800 0.094 0.000 2.212 814 Q HA 0.669 5.009 4.340 -0.000 0.000 0.238 814 Q C -0.446 175.626 176.000 0.119 0.000 0.955 814 Q CA -0.471 55.417 55.803 0.141 0.000 0.906 814 Q CB 2.247 31.043 28.738 0.096 0.000 1.215 814 Q HN 0.421 nan 8.270 nan 0.000 0.478 815 I N 1.794 122.433 120.570 0.115 0.000 2.495 815 I HA 0.262 4.432 4.170 -0.000 0.000 0.277 815 I C -0.716 175.497 176.117 0.161 0.000 1.045 815 I CA -0.489 60.835 61.300 0.041 0.000 1.135 815 I CB 1.091 38.959 38.000 -0.219 0.000 1.241 815 I HN 0.309 nan 8.210 nan 0.000 0.469 816 K N 4.011 124.517 120.400 0.176 0.000 2.205 816 K HA 0.448 4.768 4.320 -0.000 0.000 0.279 816 K C 0.524 177.243 176.600 0.198 0.000 1.027 816 K CA -0.486 55.907 56.287 0.177 0.000 0.932 816 K CB 1.560 34.110 32.500 0.084 0.000 1.032 816 K HN 0.692 nan 8.250 nan 0.000 0.466 817 G N 1.554 110.404 108.800 0.083 0.000 2.365 817 G HA2 0.190 4.150 3.960 -0.000 0.000 0.293 817 G HA3 0.190 4.150 3.960 -0.000 0.000 0.293 817 G C 0.037 174.737 174.900 -0.333 0.000 1.128 817 G CA -0.594 44.256 45.100 -0.416 0.000 0.971 817 G HN 0.377 nan 8.290 nan 0.000 0.422 818 V N 3.422 123.125 119.914 -0.350 0.000 2.356 818 V HA 0.415 4.535 4.120 -0.000 0.000 0.244 818 V C 1.466 177.413 176.094 -0.246 0.000 1.120 818 V CA 1.503 63.667 62.300 -0.227 0.000 1.181 818 V CB -0.236 31.479 31.823 -0.181 0.000 1.244 818 V HN 1.182 nan 8.190 nan 0.000 0.487 819 G N 3.338 112.021 108.800 -0.196 0.000 3.468 819 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 819 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 819 G C 0.810 175.625 174.900 -0.141 0.000 0.968 819 G CA 0.462 45.460 45.100 -0.170 0.000 0.851 819 G HN 0.790 nan 8.290 nan 0.000 0.524 820 S N -0.592 115.019 115.700 -0.149 0.000 2.575 820 S HA 0.449 4.919 4.470 -0.000 0.000 0.230 820 S C 2.041 176.599 174.600 -0.070 0.000 1.062 820 S CA 1.570 59.710 58.200 -0.101 0.000 0.913 820 S CB 0.837 63.978 63.200 -0.098 0.000 0.837 820 S HN 2.127 nan 8.310 nan 0.000 0.487 821 G N 1.948 110.706 108.800 -0.070 0.000 2.184 821 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 821 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 821 G C 0.129 175.026 174.900 -0.004 0.000 0.975 821 G CA 0.347 45.425 45.100 -0.037 0.000 0.642 821 G HN 0.633 nan 8.290 nan 0.000 0.536 822 R N -0.873 119.632 120.500 0.008 0.000 2.573 822 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 822 R C 0.006 176.385 176.300 0.132 0.000 1.009 822 R CA -0.321 55.813 56.100 0.057 0.000 1.059 822 R CB 1.150 31.477 30.300 0.045 0.000 1.112 822 R HN 0.196 nan 8.270 nan 0.000 0.517 823 c N 1.555 120.260 118.600 0.174 0.000 2.364 823 c HA 0.284 4.854 4.570 -0.000 0.000 0.356 823 c C 0.096 174.329 174.090 0.239 0.000 1.201 823 c CA -0.754 55.701 56.329 0.210 0.000 2.227 823 c CB 0.654 43.278 42.510 0.189 0.000 2.387 823 c HN 0.610 nan 8.230 nan 0.000 0.546 824 L N 3.779 125.114 121.223 0.185 0.000 2.534 824 L HA 0.230 4.570 4.340 -0.000 0.000 0.271 824 L C 0.039 177.106 176.870 0.328 0.000 1.178 824 L CA 1.266 56.162 54.840 0.094 0.000 0.907 824 L CB -0.310 41.528 42.059 -0.368 0.000 1.164 824 L HN 0.674 nan 8.230 nan 0.000 0.482 825 D N 3.867 124.435 120.400 0.281 0.000 2.738 825 D HA 0.270 4.910 4.640 -0.000 0.000 0.237 825 D C -1.375 175.052 176.300 0.212 0.000 1.123 825 D CA -0.447 53.708 54.000 0.258 0.000 0.856 825 D CB 2.373 43.319 40.800 0.243 0.000 1.552 825 D HN 0.249 nan 8.370 nan 0.000 0.480 826 V N 4.501 124.504 119.914 0.149 0.000 2.348 826 V HA 0.262 4.382 4.120 -0.000 0.000 0.270 826 V C -2.056 174.086 176.094 0.081 0.000 1.037 826 V CA -1.570 60.812 62.300 0.136 0.000 0.872 826 V CB 0.929 32.824 31.823 0.120 0.000 1.002 826 V HN 0.482 nan 8.190 nan 0.000 0.464 827 P HA -0.097 nan 4.420 nan 0.000 0.259 827 P C 0.584 177.882 177.300 -0.002 0.000 1.155 827 P CA 0.879 63.981 63.100 0.003 0.000 0.759 827 P CB -0.178 31.539 31.700 0.028 0.000 0.753 828 N N 2.647 121.316 118.700 -0.052 0.000 2.693 828 N HA -0.295 4.445 4.740 -0.000 0.000 0.249 828 N C 0.324 175.834 175.510 -0.000 0.000 1.119 828 N CA 0.203 53.232 53.050 -0.035 0.000 0.717 828 N CB -1.312 37.160 38.487 -0.025 0.000 1.071 828 N HN 0.677 nan 8.380 nan 0.000 0.555 829 A N -0.925 121.917 122.820 0.037 0.000 2.799 829 A HA -0.270 4.050 4.320 -0.000 0.000 0.287 829 A C 0.787 178.394 177.584 0.037 0.000 1.484 829 A CA 1.419 53.518 52.037 0.103 0.000 0.813 829 A CB -1.705 17.336 19.000 0.069 0.000 1.009 829 A HN 0.749 nan 8.150 nan 0.000 0.545 830 S N -1.186 114.538 115.700 0.040 0.000 2.585 830 S HA 0.495 4.965 4.470 -0.000 0.000 0.273 830 S C 1.176 175.727 174.600 -0.081 0.000 1.339 830 S CA 0.744 58.928 58.200 -0.026 0.000 1.028 830 S CB 0.645 63.855 63.200 0.017 0.000 0.906 830 S HN 0.824 nan 8.310 nan 0.000 0.528 831 T N 2.839 117.282 114.554 -0.185 0.000 3.132 831 T HA 0.186 4.536 4.350 -0.000 0.000 0.274 831 T C -0.060 174.597 174.700 -0.070 0.000 1.011 831 T CA -0.162 61.790 62.100 -0.246 0.000 0.899 831 T CB 0.159 68.769 68.868 -0.430 0.000 1.089 831 T HN 0.621 nan 8.240 nan 0.000 0.543 832 T N 3.479 118.022 114.554 -0.020 0.000 2.814 832 T HA 0.129 4.479 4.350 -0.000 0.000 0.297 832 T C 0.070 174.810 174.700 0.066 0.000 0.956 832 T CA -0.403 61.704 62.100 0.013 0.000 1.123 832 T CB 0.499 69.377 68.868 0.018 0.000 0.902 832 T HN 0.163 nan 8.240 nan 0.000 0.528 833 D N 2.119 122.558 120.400 0.066 0.000 2.488 833 D HA 0.296 4.936 4.640 -0.000 0.000 0.238 833 D C 1.409 177.825 176.300 0.194 0.000 1.138 833 D CA 1.196 55.284 54.000 0.147 0.000 0.873 833 D CB 0.789 41.651 40.800 0.103 0.000 1.183 833 D HN 0.904 nan 8.370 nan 0.000 0.458 834 G N 1.935 110.883 108.800 0.247 0.000 2.175 834 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 834 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 834 G C 0.482 175.465 174.900 0.139 0.000 0.982 834 G CA 0.137 45.346 45.100 0.182 0.000 0.641 834 G HN 0.547 nan 8.290 nan 0.000 0.527 835 T N 1.546 116.186 114.554 0.143 0.000 2.752 835 T HA 0.417 4.767 4.350 -0.000 0.000 0.295 835 T C 0.465 175.243 174.700 0.131 0.000 0.923 835 T CA 0.325 62.497 62.100 0.121 0.000 1.112 835 T CB 1.363 70.302 68.868 0.118 0.000 0.884 835 T HN 0.550 nan 8.240 nan 0.000 0.525 836 Q N 3.507 123.372 119.800 0.107 0.000 2.332 836 Q HA 0.322 4.662 4.340 -0.000 0.000 0.263 836 Q C 0.220 176.283 176.000 0.104 0.000 0.979 836 Q CA -0.720 55.144 55.803 0.101 0.000 0.885 836 Q CB 0.598 29.386 28.738 0.083 0.000 1.218 836 Q HN 0.637 nan 8.270 nan 0.000 0.405 837 V N 1.695 121.668 119.914 0.099 0.000 3.133 837 V HA 0.405 4.525 4.120 -0.000 0.000 0.305 837 V C -0.394 175.752 176.094 0.087 0.000 1.084 837 V CA -0.290 62.073 62.300 0.105 0.000 1.089 837 V CB 1.120 32.982 31.823 0.065 0.000 1.073 837 V HN 1.016 nan 8.190 nan 0.000 0.477 838 Q N 2.189 122.057 119.800 0.114 0.000 2.687 838 Q HA 0.724 5.064 4.340 -0.000 0.000 0.305 838 Q C -1.505 174.601 176.000 0.177 0.000 1.006 838 Q CA -1.160 54.723 55.803 0.133 0.000 0.763 838 Q CB 2.204 31.027 28.738 0.141 0.000 1.506 838 Q HN 0.668 nan 8.270 nan 0.000 0.459 839 L N 0.980 122.322 121.223 0.199 0.000 2.322 839 L HA 0.680 5.020 4.340 -0.000 0.000 0.279 839 L C -1.245 175.798 176.870 0.288 0.000 1.036 839 L CA -0.828 54.145 54.840 0.222 0.000 0.807 839 L CB 0.998 43.156 42.059 0.164 0.000 1.226 839 L HN 0.638 nan 8.230 nan 0.000 0.433 840 Y N 0.696 121.069 120.300 0.121 0.000 2.624 840 Y HA 0.191 4.741 4.550 0.000 0.000 0.334 840 Y C -0.746 175.231 175.900 0.128 0.000 1.155 840 Y CA -1.146 57.023 58.100 0.114 0.000 1.046 840 Y CB 1.627 40.170 38.460 0.138 0.000 1.316 840 Y HN 0.549 nan 8.280 nan 0.000 0.457 841 D N 2.756 122.945 120.400 -0.352 0.000 2.586 841 D HA 0.003 4.643 4.640 -0.000 0.000 0.234 841 D C -0.137 176.307 176.300 0.241 0.000 1.132 841 D CA 0.831 54.764 54.000 -0.113 0.000 0.860 841 D CB 0.406 41.041 40.800 -0.276 0.000 1.159 841 D HN 0.469 nan 8.370 nan 0.000 0.490 842 c N 4.513 123.235 118.600 0.203 0.000 2.676 842 c HA 0.302 4.872 4.570 -0.000 0.000 0.416 842 c C 0.583 174.881 174.090 0.346 0.000 1.299 842 c CA -0.219 56.263 56.329 0.255 0.000 2.048 842 c CB -0.537 42.055 42.510 0.137 0.000 2.713 842 c HN 0.755 nan 8.230 nan 0.000 0.624 843 H N -0.953 118.171 119.070 0.089 0.000 3.043 843 H HA 0.176 4.732 4.556 -0.000 0.000 0.317 843 H C -0.943 174.418 175.328 0.055 0.000 1.321 843 H CA -0.518 55.572 56.048 0.069 0.000 1.243 843 H CB 0.622 30.433 29.762 0.083 0.000 1.924 843 H HN 0.445 nan 8.280 nan 0.000 0.527 844 S N 0.920 116.636 115.700 0.027 0.000 3.232 844 S HA 0.482 4.952 4.470 -0.000 0.000 0.298 844 S C -0.184 174.360 174.600 -0.094 0.000 1.159 844 S CA 0.178 58.354 58.200 -0.040 0.000 1.240 844 S CB -1.979 61.231 63.200 0.017 0.000 1.584 844 S HN 0.830 nan 8.310 nan 0.000 0.558 845 A N 3.295 125.967 122.820 -0.247 0.000 2.449 845 A HA 0.596 4.916 4.320 -0.000 0.000 0.302 845 A C 0.908 178.378 177.584 -0.190 0.000 1.048 845 A CA -0.403 51.509 52.037 -0.209 0.000 0.708 845 A CB 1.037 19.830 19.000 -0.345 0.000 1.274 845 A HN 0.522 nan 8.150 nan 0.000 0.410 846 T N 0.686 115.174 114.554 -0.110 0.000 2.849 846 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 846 T C 1.301 175.822 174.700 -0.298 0.000 1.066 846 T CA 2.049 64.068 62.100 -0.136 0.000 1.130 846 T CB -0.618 68.255 68.868 0.008 0.000 0.864 846 T HN 0.787 nan 8.240 nan 0.000 0.481 847 N N 0.408 118.985 118.700 -0.205 0.000 2.434 847 N HA 0.003 4.743 4.740 -0.000 0.000 0.196 847 N C 1.012 176.300 175.510 -0.370 0.000 1.183 847 N CA 0.200 53.062 53.050 -0.315 0.000 0.849 847 N CB -0.040 38.439 38.487 -0.013 0.000 0.992 847 N HN 0.573 nan 8.380 nan 0.000 0.460 848 Q N -0.751 118.823 119.800 -0.376 0.000 2.113 848 Q HA 0.170 4.510 4.340 -0.000 0.000 0.225 848 Q C -0.542 175.309 176.000 -0.249 0.000 0.786 848 Q CA -0.202 55.484 55.803 -0.195 0.000 0.989 848 Q CB 0.877 29.551 28.738 -0.106 0.000 1.174 848 Q HN 0.238 nan 8.270 nan 0.000 0.470 849 Q N 0.368 119.893 119.800 -0.459 0.000 2.390 849 Q HA 0.174 4.514 4.340 -0.000 0.000 0.249 849 Q C -1.184 174.525 176.000 -0.484 0.000 0.996 849 Q CA 0.295 55.908 55.803 -0.316 0.000 0.899 849 Q CB 0.315 28.916 28.738 -0.229 0.000 1.216 849 Q HN 0.113 nan 8.270 nan 0.000 0.465 850 W N 1.195 122.423 121.300 -0.119 0.000 2.551 850 W HA 0.415 5.075 4.660 -0.000 0.000 0.330 850 W C 0.121 176.611 176.519 -0.049 0.000 1.063 850 W CA -0.558 56.721 57.345 -0.110 0.000 1.222 850 W CB 1.457 30.833 29.460 -0.140 0.000 1.349 850 W HN 0.164 nan 8.180 nan 0.000 0.536 851 T N 2.760 117.432 114.554 0.196 0.000 2.786 851 T HA 0.155 4.505 4.350 -0.000 0.000 0.283 851 T C -1.516 173.318 174.700 0.223 0.000 0.992 851 T CA -0.488 61.706 62.100 0.157 0.000 0.954 851 T CB 0.293 69.208 68.868 0.077 0.000 0.934 851 T HN 0.162 nan 8.240 nan 0.000 0.440 852 Y N 4.556 124.898 120.300 0.069 0.000 2.404 852 Y HA 0.394 4.944 4.550 -0.000 0.000 0.344 852 Y C 0.973 176.907 175.900 0.056 0.000 0.995 852 Y CA -0.987 57.150 58.100 0.061 0.000 1.201 852 Y CB 0.091 38.575 38.460 0.039 0.000 1.151 852 Y HN 0.709 nan 8.280 nan 0.000 0.517 853 T N 0.881 115.305 114.554 -0.216 0.000 2.881 853 T HA 0.167 4.517 4.350 -0.000 0.000 0.278 853 T C 0.831 175.311 174.700 -0.366 0.000 0.982 853 T CA -0.658 61.318 62.100 -0.208 0.000 0.989 853 T CB 0.958 69.768 68.868 -0.097 0.000 1.058 853 T HN 0.570 nan 8.240 nan 0.000 0.529 854 D N 0.567 120.850 120.400 -0.194 0.000 2.263 854 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 854 D C 2.025 178.232 176.300 -0.156 0.000 0.971 854 D CA 1.160 55.065 54.000 -0.160 0.000 0.867 854 D CB -0.334 40.426 40.800 -0.066 0.000 0.929 854 D HN 0.747 nan 8.370 nan 0.000 0.492 855 A N -0.323 122.407 122.820 -0.150 0.000 2.169 855 A HA 0.361 4.681 4.320 -0.000 0.000 0.212 855 A C 1.767 179.261 177.584 -0.149 0.000 1.153 855 A CA 1.159 53.128 52.037 -0.113 0.000 0.756 855 A CB 0.059 19.012 19.000 -0.079 0.000 0.813 855 A HN 0.243 nan 8.150 nan 0.000 0.471 856 G N -0.627 108.003 108.800 -0.284 0.000 2.144 856 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 856 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 856 G C -0.203 174.714 174.900 0.029 0.000 0.988 856 G CA 0.172 45.129 45.100 -0.240 0.000 0.659 856 G HN 0.607 nan 8.290 nan 0.000 0.522 857 E N -0.576 119.621 120.200 -0.005 0.000 2.318 857 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 857 E C 0.139 176.928 176.600 0.316 0.000 1.069 857 E CA -0.541 55.982 56.400 0.204 0.000 0.893 857 E CB 1.317 31.084 29.700 0.111 0.000 1.076 857 E HN 0.201 nan 8.360 nan 0.000 0.414 858 L N 2.679 124.118 121.223 0.361 0.000 2.356 858 L HA 0.354 4.694 4.340 -0.000 0.000 0.264 858 L C -0.119 176.975 176.870 0.373 0.000 1.029 858 L CA -0.345 54.668 54.840 0.288 0.000 0.897 858 L CB 0.531 42.550 42.059 -0.068 0.000 1.256 858 L HN 0.299 nan 8.230 nan 0.000 0.444 859 R N 1.551 122.223 120.500 0.287 0.000 2.500 859 R HA 0.672 5.012 4.340 -0.000 0.000 0.275 859 R C -0.822 175.481 176.300 0.005 0.000 1.051 859 R CA -0.566 55.640 56.100 0.176 0.000 1.088 859 R CB 2.596 32.953 30.300 0.094 0.000 1.063 859 R HN 0.248 nan 8.270 nan 0.000 0.511 860 V N 3.129 122.916 119.914 -0.212 0.000 2.888 860 V HA 0.216 4.336 4.120 -0.000 0.000 0.309 860 V C -1.121 174.728 176.094 -0.410 0.000 1.114 860 V CA -0.412 61.479 62.300 -0.681 0.000 0.940 860 V CB 1.299 32.263 31.823 -1.431 0.000 1.021 860 V HN 0.918 nan 8.190 nan 0.000 0.426 861 Y N 4.081 124.252 120.300 -0.215 0.000 4.881 861 Y HA -0.223 4.327 4.550 0.000 0.000 0.241 861 Y C 1.711 177.562 175.900 -0.081 0.000 0.985 861 Y CA 1.659 59.678 58.100 -0.135 0.000 1.976 861 Y CB -1.921 36.468 38.460 -0.118 0.000 1.528 861 Y HN 1.807 nan 8.280 nan 0.000 0.581 862 G N -0.707 108.113 108.800 0.034 0.000 2.454 862 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.225 862 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.225 862 G C 0.522 175.452 174.900 0.049 0.000 1.138 862 G CA 0.681 45.802 45.100 0.034 0.000 0.667 862 G HN 0.494 nan 8.290 nan 0.000 0.512 863 D N 0.249 120.692 120.400 0.073 0.000 2.582 863 D HA 0.280 4.920 4.640 -0.000 0.000 0.246 863 D C 0.247 176.604 176.300 0.095 0.000 1.334 863 D CA -0.012 54.031 54.000 0.072 0.000 0.805 863 D CB 0.179 41.009 40.800 0.050 0.000 1.087 863 D HN 0.211 nan 8.370 nan 0.000 0.499 864 K N 0.124 120.599 120.400 0.125 0.000 2.164 864 K HA 0.499 4.819 4.320 -0.000 0.000 0.258 864 K C -0.728 175.980 176.600 0.180 0.000 0.951 864 K CA -0.535 55.848 56.287 0.161 0.000 0.844 864 K CB 1.771 34.414 32.500 0.238 0.000 1.099 864 K HN -0.013 nan 8.250 nan 0.000 0.435 865 c N 2.185 120.932 118.600 0.245 0.000 2.456 865 c HA 0.361 4.931 4.570 -0.000 0.000 0.325 865 c C -0.138 174.171 174.090 0.365 0.000 1.217 865 c CA -0.981 55.526 56.329 0.297 0.000 1.687 865 c CB 1.000 43.671 42.510 0.269 0.000 2.270 865 c HN 0.739 nan 8.230 nan 0.000 0.499 866 L N 4.185 125.636 121.223 0.381 0.000 2.534 866 L HA 0.245 4.585 4.340 -0.000 0.000 0.271 866 L C 0.077 177.230 176.870 0.472 0.000 1.178 866 L CA 1.337 56.335 54.840 0.264 0.000 0.907 866 L CB -0.127 41.799 42.059 -0.222 0.000 1.164 866 L HN 0.657 nan 8.230 nan 0.000 0.482 867 D N 4.342 124.978 120.400 0.393 0.000 2.646 867 D HA 0.551 5.191 4.640 -0.000 0.000 0.245 867 D C -1.393 175.096 176.300 0.314 0.000 1.099 867 D CA -0.499 53.724 54.000 0.371 0.000 0.849 867 D CB 2.166 43.163 40.800 0.328 0.000 1.448 867 D HN 0.656 nan 8.370 nan 0.000 0.489 868 A N 2.318 125.285 122.820 0.245 0.000 2.258 868 A HA 0.606 4.926 4.320 -0.000 0.000 0.316 868 A C 0.179 177.809 177.584 0.076 0.000 1.279 868 A CA -0.495 51.645 52.037 0.172 0.000 0.876 868 A CB 1.019 20.091 19.000 0.119 0.000 1.170 868 A HN 0.524 nan 8.150 nan 0.000 0.520 869 A N 2.636 125.495 122.820 0.065 0.000 3.117 869 A HA 0.598 4.918 4.320 -0.000 0.000 0.255 869 A C 0.864 178.462 177.584 0.023 0.000 1.583 869 A CA 0.531 52.581 52.037 0.022 0.000 1.234 869 A CB -1.069 17.942 19.000 0.018 0.000 1.076 869 A HN 2.365 nan 8.150 nan 0.000 0.653 870 G N -1.213 107.599 108.800 0.020 0.000 2.359 870 G HA2 0.345 4.305 3.960 -0.000 0.000 0.293 870 G HA3 0.345 4.305 3.960 -0.000 0.000 0.293 870 G C 0.099 175.002 174.900 0.006 0.000 1.300 870 G CA 0.356 45.465 45.100 0.014 0.000 0.888 870 G HN 0.902 nan 8.290 nan 0.000 0.541 871 T N -2.591 111.963 114.554 -0.001 0.000 3.058 871 T HA 0.576 4.926 4.350 -0.000 0.000 0.278 871 T C 1.054 175.745 174.700 -0.015 0.000 0.974 871 T CA 1.240 63.330 62.100 -0.016 0.000 0.893 871 T CB 0.682 69.534 68.868 -0.027 0.000 1.138 871 T HN 1.659 nan 8.240 nan 0.000 0.529 872 G N 1.053 109.850 108.800 -0.004 0.000 2.521 872 G HA2 0.524 4.484 3.960 -0.000 0.000 0.323 872 G HA3 0.524 4.484 3.960 -0.000 0.000 0.323 872 G C -0.559 174.339 174.900 -0.004 0.000 1.211 872 G CA -0.895 44.195 45.100 -0.016 0.000 0.979 872 G HN 0.216 nan 8.290 nan 0.000 0.490 873 N N -0.297 118.376 118.700 -0.046 0.000 2.407 873 N HA 0.250 4.990 4.740 -0.000 0.000 0.250 873 N C 1.304 176.895 175.510 0.135 0.000 1.236 873 N CA 1.502 54.545 53.050 -0.011 0.000 0.879 873 N CB 1.151 39.518 38.487 -0.201 0.000 1.088 873 N HN 1.151 nan 8.380 nan 0.000 0.450 874 G N 0.843 109.785 108.800 0.236 0.000 2.176 874 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.253 874 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.253 874 G C 0.256 175.227 174.900 0.118 0.000 0.979 874 G CA 0.395 45.599 45.100 0.174 0.000 0.641 874 G HN 0.620 nan 8.290 nan 0.000 0.530 875 T N 1.478 116.097 114.554 0.108 0.000 2.934 875 T HA 0.323 4.673 4.350 -0.000 0.000 0.306 875 T C 0.692 175.453 174.700 0.100 0.000 1.042 875 T CA 0.784 62.938 62.100 0.089 0.000 1.145 875 T CB 1.041 69.957 68.868 0.080 0.000 0.982 875 T HN 0.555 nan 8.240 nan 0.000 0.544 876 K N 3.294 123.746 120.400 0.087 0.000 2.379 876 K HA 0.240 4.560 4.320 -0.000 0.000 0.284 876 K C -0.835 175.828 176.600 0.104 0.000 1.044 876 K CA -0.465 55.874 56.287 0.087 0.000 0.974 876 K CB 0.401 32.946 32.500 0.075 0.000 0.962 876 K HN 0.295 nan 8.250 nan 0.000 0.474 877 V N 6.193 126.164 119.914 0.096 0.000 2.370 877 V HA 0.171 4.291 4.120 -0.000 0.000 0.279 877 V C 0.199 176.344 176.094 0.085 0.000 1.029 877 V CA -0.316 62.042 62.300 0.097 0.000 0.870 877 V CB 0.848 32.677 31.823 0.010 0.000 0.984 877 V HN 0.980 nan 8.190 nan 0.000 0.451 878 Q N 5.904 125.784 119.800 0.134 0.000 3.093 878 Q HA 0.711 5.051 4.340 -0.000 0.000 0.330 878 Q C -0.973 175.162 176.000 0.225 0.000 0.947 878 Q CA -0.958 54.941 55.803 0.161 0.000 0.801 878 Q CB 2.579 31.414 28.738 0.162 0.000 1.470 878 Q HN 0.647 nan 8.270 nan 0.000 0.498 879 I N -2.045 118.681 120.570 0.259 0.000 2.562 879 I HA 0.787 4.957 4.170 -0.000 0.000 0.301 879 I C -1.494 174.841 176.117 0.363 0.000 1.003 879 I CA -1.014 60.471 61.300 0.308 0.000 1.127 879 I CB 1.930 40.102 38.000 0.286 0.000 1.304 879 I HN 0.728 nan 8.210 nan 0.000 0.446 880 Y N 2.280 122.704 120.300 0.206 0.000 2.624 880 Y HA 0.418 4.968 4.550 -0.000 0.000 0.334 880 Y C -0.565 175.462 175.900 0.211 0.000 1.155 880 Y CA -0.753 57.463 58.100 0.194 0.000 1.046 880 Y CB 2.093 40.684 38.460 0.219 0.000 1.316 880 Y HN 0.771 nan 8.280 nan 0.000 0.457 881 S N 2.033 117.514 115.700 -0.365 0.000 2.558 881 S HA 0.062 4.532 4.470 -0.000 0.000 0.293 881 S C -0.424 174.294 174.600 0.196 0.000 1.292 881 S CA -0.135 57.982 58.200 -0.139 0.000 1.063 881 S CB -0.365 62.648 63.200 -0.310 0.000 0.831 881 S HN 0.620 nan 8.310 nan 0.000 0.499 882 c N 5.392 124.110 118.600 0.197 0.000 2.632 882 c HA 0.227 4.797 4.570 -0.000 0.000 0.415 882 c C 1.440 175.717 174.090 0.312 0.000 1.332 882 c CA -0.466 56.002 56.329 0.230 0.000 1.874 882 c CB -1.018 41.574 42.510 0.137 0.000 2.596 882 c HN 1.089 nan 8.230 nan 0.000 0.590 883 W N 1.192 122.558 121.300 0.109 0.000 1.807 883 W HA 0.373 5.033 4.660 0.000 0.000 0.251 883 W C 0.667 177.227 176.519 0.068 0.000 0.848 883 W CA 0.166 57.562 57.345 0.086 0.000 1.157 883 W CB -0.790 28.739 29.460 0.115 0.000 0.992 883 W HN 0.925 nan 8.180 nan 0.000 0.506 884 G N 1.371 109.918 108.800 -0.421 0.000 2.176 884 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.232 884 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.232 884 G C 0.638 175.058 174.900 -0.800 0.000 0.986 884 G CA -0.130 44.699 45.100 -0.453 0.000 0.643 884 G HN 0.668 nan 8.290 nan 0.000 0.522 885 G N -0.180 107.631 108.800 -1.648 0.000 2.491 885 G HA2 0.407 4.367 3.960 -0.000 0.000 0.238 885 G HA3 0.407 4.367 3.960 -0.000 0.000 0.238 885 G C 0.629 175.163 174.900 -0.610 0.000 1.277 885 G CA 0.442 44.735 45.100 -1.346 0.000 0.851 885 G HN 0.090 nan 8.290 nan 0.000 0.573 886 D N 0.395 120.565 120.400 -0.384 0.000 2.310 886 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 886 D C 2.007 178.089 176.300 -0.364 0.000 0.965 886 D CA 0.765 54.580 54.000 -0.308 0.000 0.879 886 D CB 0.156 40.831 40.800 -0.208 0.000 0.921 886 D HN 0.609 nan 8.370 nan 0.000 0.510 887 N N 0.328 118.845 118.700 -0.306 0.000 2.461 887 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 887 N C 0.793 176.105 175.510 -0.330 0.000 1.134 887 N CA 0.275 53.150 53.050 -0.293 0.000 0.878 887 N CB 0.049 38.473 38.487 -0.104 0.000 0.972 887 N HN 0.275 nan 8.380 nan 0.000 0.456 888 Q N -0.511 119.075 119.800 -0.357 0.000 2.149 888 Q HA 0.217 4.557 4.340 -0.000 0.000 0.221 888 Q C -0.516 175.310 176.000 -0.291 0.000 0.807 888 Q CA -0.209 55.493 55.803 -0.167 0.000 1.000 888 Q CB 0.914 29.592 28.738 -0.101 0.000 1.157 888 Q HN 0.115 nan 8.270 nan 0.000 0.487 889 K N 0.406 120.438 120.400 -0.613 0.000 2.164 889 K HA 0.416 4.736 4.320 -0.000 0.000 0.258 889 K C -1.030 175.106 176.600 -0.775 0.000 0.951 889 K CA -0.074 55.940 56.287 -0.454 0.000 0.844 889 K CB 1.302 33.626 32.500 -0.293 0.000 1.099 889 K HN -0.042 nan 8.250 nan 0.000 0.435 890 W N 0.951 122.287 121.300 0.062 0.000 3.033 890 W HA 0.477 5.137 4.660 -0.000 0.000 0.336 890 W C -0.009 176.584 176.519 0.123 0.000 1.173 890 W CA -0.835 56.543 57.345 0.055 0.000 1.185 890 W CB 1.255 30.717 29.460 0.003 0.000 1.425 890 W HN 0.170 nan 8.180 nan 0.000 0.536 891 R N 2.134 122.785 120.500 0.251 0.000 2.393 891 R HA 0.521 4.861 4.340 -0.000 0.000 0.315 891 R C -1.005 175.324 176.300 0.048 0.000 0.952 891 R CA -0.958 55.235 56.100 0.154 0.000 0.842 891 R CB 1.337 31.688 30.300 0.085 0.000 1.163 891 R HN 0.403 nan 8.270 nan 0.000 0.450 892 L N 3.970 125.149 121.223 -0.072 0.000 2.282 892 L HA 0.287 4.627 4.340 -0.000 0.000 0.287 892 L C 0.064 176.903 176.870 -0.052 0.000 1.075 892 L CA -0.682 54.065 54.840 -0.154 0.000 0.839 892 L CB 0.155 41.989 42.059 -0.375 0.000 1.219 892 L HN 0.424 nan 8.230 nan 0.000 0.434 893 N N 0.887 119.581 118.700 -0.010 0.000 2.483 893 N HA 0.143 4.883 4.740 -0.000 0.000 0.269 893 N C 0.949 176.459 175.510 0.001 0.000 1.209 893 N CA -0.236 52.819 53.050 0.009 0.000 0.969 893 N CB 1.555 40.058 38.487 0.027 0.000 1.173 893 N HN 0.398 nan 8.380 nan 0.000 0.475 894 S N 0.283 115.984 115.700 0.002 0.000 2.399 894 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 894 S C 0.905 175.505 174.600 -0.000 0.000 1.022 894 S CA 1.212 59.410 58.200 -0.003 0.000 0.983 894 S CB -0.240 62.957 63.200 -0.005 0.000 0.803 894 S HN 0.708 nan 8.310 nan 0.000 0.480 895 D N 0.416 120.819 120.400 0.005 0.000 2.378 895 D HA 0.166 4.806 4.640 -0.000 0.000 0.227 895 D C 1.252 177.555 176.300 0.005 0.000 1.012 895 D CA 0.796 54.797 54.000 0.002 0.000 0.905 895 D CB -0.740 40.062 40.800 0.004 0.000 0.895 895 D HN 0.399 nan 8.370 nan 0.000 0.532 896 G N -0.242 108.569 108.800 0.019 0.000 2.175 896 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 896 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 896 G C 0.388 175.359 174.900 0.118 0.000 0.982 896 G CA 0.321 45.447 45.100 0.043 0.000 0.641 896 G HN 0.834 nan 8.290 nan 0.000 0.527 897 S N -0.296 115.464 115.700 0.101 0.000 2.617 897 S HA 0.757 5.227 4.470 -0.000 0.000 0.269 897 S C 0.052 174.733 174.600 0.134 0.000 1.292 897 S CA -0.534 57.765 58.200 0.164 0.000 1.010 897 S CB 1.896 65.159 63.200 0.106 0.000 0.944 897 S HN 0.641 nan 8.310 nan 0.000 0.536 898 I N 2.056 122.711 120.570 0.142 0.000 2.448 898 I HA 0.317 4.487 4.170 -0.000 0.000 0.281 898 I C -1.103 175.102 176.117 0.147 0.000 1.027 898 I CA -0.856 60.459 61.300 0.026 0.000 1.111 898 I CB 1.792 39.635 38.000 -0.261 0.000 1.236 898 I HN 0.407 nan 8.210 nan 0.000 0.452 899 V N 4.706 124.730 119.914 0.183 0.000 2.472 899 V HA 0.509 4.629 4.120 -0.000 0.000 0.290 899 V C 0.835 177.063 176.094 0.223 0.000 1.037 899 V CA -0.647 61.769 62.300 0.193 0.000 0.908 899 V CB 1.640 33.514 31.823 0.084 0.000 0.985 899 V HN 0.836 nan 8.190 nan 0.000 0.454 900 G N 2.616 111.490 108.800 0.124 0.000 2.380 900 G HA2 0.371 4.331 3.960 -0.000 0.000 0.262 900 G HA3 0.371 4.331 3.960 -0.000 0.000 0.262 900 G C 0.903 175.629 174.900 -0.290 0.000 1.243 900 G CA -0.291 44.583 45.100 -0.376 0.000 0.865 900 G HN 0.553 nan 8.290 nan 0.000 0.513 901 V N 2.068 121.758 119.914 -0.374 0.000 2.295 901 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 901 V C 2.856 178.828 176.094 -0.203 0.000 1.049 901 V CA 2.403 64.559 62.300 -0.240 0.000 1.024 901 V CB -0.644 31.037 31.823 -0.238 0.000 0.648 901 V HN 0.870 nan 8.190 nan 0.000 0.447 902 Q N 0.227 119.878 119.800 -0.247 0.000 2.046 902 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 902 Q C 2.399 178.324 176.000 -0.125 0.000 0.975 902 Q CA 2.244 57.946 55.803 -0.168 0.000 0.836 902 Q CB -0.086 28.548 28.738 -0.174 0.000 0.896 902 Q HN 0.777 nan 8.270 nan 0.000 0.428 903 S N -1.792 113.824 115.700 -0.140 0.000 2.425 903 S HA 0.139 4.609 4.470 -0.000 0.000 0.225 903 S C 1.505 176.064 174.600 -0.067 0.000 1.024 903 S CA 0.752 58.900 58.200 -0.087 0.000 0.951 903 S CB 0.214 63.373 63.200 -0.068 0.000 0.796 903 S HN 0.677 nan 8.310 nan 0.000 0.498 904 G N 0.587 109.344 108.800 -0.073 0.000 2.148 904 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.254 904 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.254 904 G C -0.231 174.660 174.900 -0.016 0.000 0.981 904 G CA 0.434 45.505 45.100 -0.047 0.000 0.670 904 G HN 0.489 nan 8.290 nan 0.000 0.528 905 L N 0.026 121.251 121.223 0.004 0.000 2.352 905 L HA 0.717 5.057 4.340 -0.000 0.000 0.269 905 L C 0.978 177.921 176.870 0.121 0.000 1.034 905 L CA -0.762 54.104 54.840 0.044 0.000 0.806 905 L CB 1.459 43.540 42.059 0.037 0.000 1.244 905 L HN 0.203 nan 8.230 nan 0.000 0.447 906 c N 1.504 120.191 118.600 0.145 0.000 2.398 906 c HA 0.460 5.030 4.570 -0.000 0.000 0.364 906 c C 0.377 174.599 174.090 0.220 0.000 1.219 906 c CA -1.083 55.360 56.329 0.189 0.000 2.312 906 c CB 0.583 43.198 42.510 0.175 0.000 2.428 906 c HN 0.522 nan 8.230 nan 0.000 0.564 907 L N 3.483 124.823 121.223 0.194 0.000 2.462 907 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 907 L C 0.226 177.290 176.870 0.324 0.000 1.166 907 L CA 0.962 55.873 54.840 0.118 0.000 0.880 907 L CB 0.042 41.948 42.059 -0.254 0.000 1.142 907 L HN 0.682 nan 8.230 nan 0.000 0.473 908 D N 3.030 123.587 120.400 0.262 0.000 2.896 908 D HA 0.386 5.026 4.640 -0.000 0.000 0.241 908 D C -0.953 175.457 176.300 0.182 0.000 1.188 908 D CA -0.504 53.635 54.000 0.231 0.000 0.879 908 D CB 2.302 43.208 40.800 0.177 0.000 1.553 908 D HN 0.498 nan 8.370 nan 0.000 0.515 909 A N 3.791 126.694 122.820 0.139 0.000 2.376 909 A HA 0.407 4.727 4.320 -0.000 0.000 0.298 909 A C 0.528 178.122 177.584 0.015 0.000 1.271 909 A CA -0.490 51.603 52.037 0.092 0.000 0.926 909 A CB 0.076 19.100 19.000 0.040 0.000 1.141 909 A HN 0.443 nan 8.150 nan 0.000 0.539 910 V N 2.817 122.743 119.914 0.021 0.000 2.832 910 V HA 0.111 4.231 4.120 -0.000 0.000 0.299 910 V C 1.829 177.898 176.094 -0.041 0.000 1.201 910 V CA 1.810 64.099 62.300 -0.018 0.000 1.325 910 V CB -0.411 31.417 31.823 0.008 0.000 0.871 910 V HN 1.899 nan 8.190 nan 0.000 0.509 911 G N 3.446 112.199 108.800 -0.078 0.000 2.225 911 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.272 911 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.272 911 G C 1.225 176.083 174.900 -0.070 0.000 0.996 911 G CA 0.912 45.968 45.100 -0.074 0.000 0.710 911 G HN 2.573 nan 8.290 nan 0.000 0.522 912 G N -1.536 107.218 108.800 -0.077 0.000 2.153 912 G HA2 0.156 4.116 3.960 -0.000 0.000 0.252 912 G HA3 0.156 4.116 3.960 -0.000 0.000 0.252 912 G C 1.403 176.266 174.900 -0.061 0.000 0.994 912 G CA 0.910 45.964 45.100 -0.077 0.000 0.698 912 G HN 2.127 nan 8.290 nan 0.000 0.521 913 G N -0.971 107.805 108.800 -0.041 0.000 2.647 913 G HA2 0.481 4.441 3.960 -0.000 0.000 0.234 913 G HA3 0.481 4.441 3.960 -0.000 0.000 0.234 913 G C 1.090 175.970 174.900 -0.033 0.000 1.252 913 G CA 1.175 46.259 45.100 -0.027 0.000 0.846 913 G HN 1.448 nan 8.290 nan 0.000 0.589 914 T N -2.454 112.082 114.554 -0.031 0.000 2.993 914 T HA 0.564 4.914 4.350 -0.000 0.000 0.260 914 T C 1.016 175.699 174.700 -0.027 0.000 0.939 914 T CA 0.744 62.820 62.100 -0.039 0.000 0.886 914 T CB 0.134 68.969 68.868 -0.054 0.000 1.209 914 T HN 0.992 nan 8.240 nan 0.000 0.518 915 A N 2.208 125.017 122.820 -0.018 0.000 2.313 915 A HA 0.570 4.890 4.320 -0.000 0.000 0.261 915 A C 0.290 177.875 177.584 0.001 0.000 1.090 915 A CA -0.667 51.357 52.037 -0.022 0.000 0.807 915 A CB 0.032 19.024 19.000 -0.015 0.000 1.055 915 A HN 0.423 nan 8.150 nan 0.000 0.492 916 N N -0.243 118.440 118.700 -0.028 0.000 2.395 916 N HA 0.273 5.013 4.740 -0.000 0.000 0.246 916 N C 1.161 176.760 175.510 0.148 0.000 1.246 916 N CA 1.703 54.775 53.050 0.037 0.000 0.879 916 N CB 0.801 39.214 38.487 -0.124 0.000 1.098 916 N HN 1.286 nan 8.380 nan 0.000 0.444 917 G N 0.615 109.557 108.800 0.237 0.000 2.217 917 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 917 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 917 G C 0.159 175.129 174.900 0.116 0.000 0.990 917 G CA 0.297 45.497 45.100 0.167 0.000 0.627 917 G HN 0.610 nan 8.290 nan 0.000 0.522 918 T N 2.734 117.351 114.554 0.105 0.000 2.829 918 T HA 0.436 4.786 4.350 -0.000 0.000 0.293 918 T C 1.020 175.777 174.700 0.094 0.000 0.970 918 T CA 0.201 62.349 62.100 0.079 0.000 1.168 918 T CB 0.724 69.630 68.868 0.063 0.000 0.911 918 T HN 0.377 nan 8.240 nan 0.000 0.535 919 L N 3.799 125.068 121.223 0.077 0.000 2.439 919 L HA 0.417 4.757 4.340 -0.000 0.000 0.261 919 L C 0.340 177.259 176.870 0.082 0.000 1.153 919 L CA -0.946 53.941 54.840 0.078 0.000 0.808 919 L CB 0.388 42.486 42.059 0.066 0.000 1.126 919 L HN 0.391 nan 8.230 nan 0.000 0.460 920 I N 1.576 122.190 120.570 0.074 0.000 2.412 920 I HA 0.356 4.526 4.170 -0.000 0.000 0.296 920 I C 0.006 176.162 176.117 0.065 0.000 0.987 920 I CA -0.264 61.078 61.300 0.069 0.000 1.180 920 I CB 1.463 39.460 38.000 -0.004 0.000 1.340 920 I HN 0.742 nan 8.210 nan 0.000 0.455 921 Q N 5.563 125.417 119.800 0.090 0.000 2.683 921 Q HA 0.728 5.068 4.340 -0.000 0.000 0.302 921 Q C -1.848 174.243 176.000 0.151 0.000 1.042 921 Q CA -0.991 54.879 55.803 0.113 0.000 0.773 921 Q CB 2.483 31.292 28.738 0.118 0.000 1.508 921 Q HN 0.464 nan 8.270 nan 0.000 0.459 922 L N 0.993 122.323 121.223 0.178 0.000 2.322 922 L HA 0.670 5.010 4.340 -0.000 0.000 0.279 922 L C -1.302 175.725 176.870 0.261 0.000 1.036 922 L CA -0.896 54.064 54.840 0.200 0.000 0.807 922 L CB 1.247 43.403 42.059 0.160 0.000 1.226 922 L HN 0.678 nan 8.230 nan 0.000 0.433 923 Y N 0.038 120.385 120.300 0.079 0.000 2.565 923 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 923 Y C -0.129 175.802 175.900 0.052 0.000 1.150 923 Y CA -0.811 57.324 58.100 0.058 0.000 1.055 923 Y CB 1.827 40.319 38.460 0.053 0.000 1.337 923 Y HN 0.549 nan 8.280 nan 0.000 0.457 924 S N 2.412 117.883 115.700 -0.382 0.000 2.702 924 S HA -0.042 4.428 4.470 -0.000 0.000 0.314 924 S C -0.305 174.332 174.600 0.061 0.000 1.244 924 S CA 0.089 58.191 58.200 -0.164 0.000 1.058 924 S CB -0.481 62.565 63.200 -0.256 0.000 0.783 924 S HN 0.609 nan 8.310 nan 0.000 0.503 925 c N 4.441 123.074 118.600 0.055 0.000 2.638 925 c HA 0.184 4.754 4.570 -0.000 0.000 0.410 925 c C 2.033 176.169 174.090 0.076 0.000 1.404 925 c CA -0.187 56.192 56.329 0.083 0.000 1.651 925 c CB -1.211 41.334 42.510 0.059 0.000 2.495 925 c HN 1.081 nan 8.230 nan 0.000 0.606 926 S N 2.284 118.039 115.700 0.091 0.000 2.440 926 S HA 0.146 4.616 4.470 -0.000 0.000 0.194 926 S C 0.837 175.457 174.600 0.034 0.000 0.952 926 S CA 0.794 59.034 58.200 0.067 0.000 0.898 926 S CB -0.089 63.157 63.200 0.075 0.000 0.875 926 S HN 0.900 nan 8.310 nan 0.000 0.581 927 N N -0.534 118.178 118.700 0.020 0.000 2.542 927 N HA -0.035 4.705 4.740 -0.000 0.000 0.218 927 N C 0.290 175.783 175.510 -0.028 0.000 1.607 927 N CA 0.196 53.245 53.050 -0.002 0.000 3.190 927 N CB -1.095 37.391 38.487 -0.003 0.000 1.504 927 N HN 0.573 nan 8.380 nan 0.000 1.106 928 G N 0.552 109.334 108.800 -0.030 0.000 2.664 928 G HA2 0.173 4.133 3.960 -0.000 0.000 0.242 928 G HA3 0.173 4.133 3.960 -0.000 0.000 0.242 928 G C 1.073 175.906 174.900 -0.111 0.000 1.225 928 G CA 0.459 45.523 45.100 -0.061 0.000 0.849 928 G HN 0.332 nan 8.290 nan 0.000 0.581 929 S N 0.063 115.684 115.700 -0.132 0.000 2.474 929 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 929 S C 1.641 176.065 174.600 -0.294 0.000 0.997 929 S CA 1.044 59.128 58.200 -0.193 0.000 0.949 929 S CB -0.223 62.882 63.200 -0.158 0.000 0.766 929 S HN 0.757 nan 8.310 nan 0.000 0.517 930 N N 0.888 119.444 118.700 -0.240 0.000 2.370 930 N HA 0.034 4.774 4.740 -0.000 0.000 0.198 930 N C 0.774 176.111 175.510 -0.288 0.000 1.156 930 N CA 0.069 52.952 53.050 -0.278 0.000 0.839 930 N CB -0.144 38.250 38.487 -0.155 0.000 0.989 930 N HN 0.597 nan 8.380 nan 0.000 0.468 931 Q N -0.485 119.136 119.800 -0.298 0.000 2.113 931 Q HA 0.275 4.615 4.340 -0.000 0.000 0.225 931 Q C -0.422 175.430 176.000 -0.247 0.000 0.786 931 Q CA -0.239 55.493 55.803 -0.119 0.000 0.989 931 Q CB 1.313 30.072 28.738 0.035 0.000 1.174 931 Q HN 0.206 nan 8.270 nan 0.000 0.470 932 R N 0.012 120.177 120.500 -0.558 0.000 2.460 932 R HA 0.434 4.774 4.340 -0.000 0.000 0.303 932 R C -1.507 174.341 176.300 -0.753 0.000 0.968 932 R CA -0.196 55.652 56.100 -0.420 0.000 0.889 932 R CB 1.050 31.208 30.300 -0.237 0.000 1.123 932 R HN -0.073 nan 8.270 nan 0.000 0.455 933 W N 0.323 121.574 121.300 -0.081 0.000 2.936 933 W HA 0.467 5.127 4.660 0.000 0.000 0.338 933 W C 0.174 176.643 176.519 -0.084 0.000 1.121 933 W CA -0.677 56.611 57.345 -0.095 0.000 1.209 933 W CB 1.845 31.220 29.460 -0.141 0.000 1.420 933 W HN 0.340 nan 8.180 nan 0.000 0.516 934 T N 1.269 115.903 114.554 0.134 0.000 2.883 934 T HA 0.889 5.239 4.350 -0.000 0.000 0.284 934 T C -1.316 173.419 174.700 0.060 0.000 1.041 934 T CA -0.933 61.204 62.100 0.062 0.000 1.007 934 T CB 1.251 70.132 68.868 0.023 0.000 1.220 934 T HN 0.596 nan 8.240 nan 0.000 0.552 935 R N 1.105 121.625 120.500 0.033 0.000 2.868 935 R HA 0.507 4.847 4.340 -0.000 0.000 0.262 935 R C -1.035 175.279 176.300 0.022 0.000 1.163 935 R CA -0.761 55.357 56.100 0.030 0.000 1.105 935 R CB 0.009 30.320 30.300 0.019 0.000 1.270 935 R HN 0.850 nan 8.270 nan 0.000 0.437 936 T N 0.000 114.569 114.554 0.024 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.118 62.100 0.031 0.000 1.349 936 T CB 0.000 68.890 68.868 0.036 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658