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 1v6x_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF 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 NGGSSTPPPS GGGQIKGVGS 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 0.000 177.580 177.584 -0.007 0.000 1.274 501 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 501 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 502 E N -0.671 119.523 120.200 -0.010 0.000 2.921 502 E HA 0.217 4.567 4.350 -0.000 0.000 0.203 502 E C 0.360 176.950 176.600 -0.017 0.000 0.975 502 E CA 0.525 56.914 56.400 -0.018 0.000 1.225 502 E CB 0.289 29.979 29.700 -0.016 0.000 1.048 502 E HN 0.731 nan 8.360 nan 0.000 0.477 503 S N -0.104 115.592 115.700 -0.007 0.000 2.512 503 S HA 0.081 4.551 4.470 -0.000 0.000 0.216 503 S C 0.896 175.516 174.600 0.034 0.000 1.006 503 S CA 0.387 58.595 58.200 0.012 0.000 0.915 503 S CB 0.133 63.338 63.200 0.009 0.000 0.824 503 S HN 0.315 nan 8.310 nan 0.000 0.497 504 T N -0.977 113.577 114.554 0.001 0.000 2.907 504 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 504 T C 0.887 175.531 174.700 -0.093 0.000 1.043 504 T CA -0.945 61.152 62.100 -0.005 0.000 1.003 504 T CB 1.271 70.121 68.868 -0.031 0.000 1.084 504 T HN 0.008 nan 8.240 nan 0.000 0.483 505 L N 1.472 122.577 121.223 -0.196 0.000 1.989 505 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 505 L C 3.004 179.806 176.870 -0.113 0.000 1.071 505 L CA 1.985 56.599 54.840 -0.376 0.000 0.749 505 L CB -1.191 40.407 42.059 -0.769 0.000 0.890 505 L HN 0.987 nan 8.230 nan 0.000 0.431 506 G N -0.288 108.520 108.800 0.013 0.000 2.514 506 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.217 506 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.217 506 G C 1.763 176.720 174.900 0.095 0.000 1.198 506 G CA 1.067 46.259 45.100 0.153 0.000 0.780 506 G HN 0.487 nan 8.290 nan 0.000 0.565 507 A N 1.078 123.919 122.820 0.034 0.000 1.908 507 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 507 A C 2.845 180.439 177.584 0.017 0.000 1.181 507 A CA 2.569 54.620 52.037 0.023 0.000 0.627 507 A CB -0.882 18.119 19.000 0.002 0.000 0.818 507 A HN 0.925 nan 8.150 nan 0.000 0.445 508 A N -0.138 122.677 122.820 -0.009 0.000 1.877 508 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 508 A C 2.540 180.133 177.584 0.014 0.000 1.186 508 A CA 2.268 54.292 52.037 -0.021 0.000 0.620 508 A CB -1.139 17.815 19.000 -0.077 0.000 0.822 508 A HN 1.146 nan 8.150 nan 0.000 0.443 509 A N -0.161 122.691 122.820 0.054 0.000 1.940 509 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 509 A C 2.452 180.084 177.584 0.080 0.000 1.176 509 A CA 2.087 54.188 52.037 0.107 0.000 0.631 509 A CB -1.002 18.139 19.000 0.235 0.000 0.814 509 A HN 1.173 nan 8.150 nan 0.000 0.446 510 A N -0.773 122.096 122.820 0.082 0.000 2.076 510 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 510 A C 1.998 179.607 177.584 0.042 0.000 1.160 510 A CA 1.550 53.628 52.037 0.069 0.000 0.653 510 A CB -0.521 18.517 19.000 0.064 0.000 0.801 510 A HN 0.688 nan 8.150 nan 0.000 0.455 511 Q N -0.125 119.694 119.800 0.031 0.000 2.364 511 Q HA -0.079 4.261 4.340 -0.000 0.000 0.207 511 Q C 1.540 177.550 176.000 0.017 0.000 0.970 511 Q CA 1.315 57.129 55.803 0.019 0.000 0.888 511 Q CB -0.086 28.657 28.738 0.010 0.000 0.951 511 Q HN 0.805 nan 8.270 nan 0.000 0.469 512 S N -2.049 113.663 115.700 0.021 0.000 2.602 512 S HA 0.357 4.827 4.470 -0.000 0.000 0.240 512 S C 1.045 175.654 174.600 0.015 0.000 0.992 512 S CA 0.066 58.274 58.200 0.014 0.000 0.971 512 S CB 0.920 64.126 63.200 0.009 0.000 0.855 512 S HN 0.399 nan 8.310 nan 0.000 0.481 513 G N 1.468 110.284 108.800 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 0.037 174.961 174.900 0.039 0.000 0.994 513 G CA 0.150 45.271 45.100 0.034 0.000 0.698 513 G HN 0.635 nan 8.290 nan 0.000 0.521 514 R N -1.165 119.354 120.500 0.032 0.000 2.902 514 R HA 0.716 5.056 4.340 -0.000 0.000 0.258 514 R C -0.018 176.328 176.300 0.076 0.000 1.071 514 R CA -0.807 55.287 56.100 -0.010 0.000 1.024 514 R CB 0.976 31.225 30.300 -0.085 0.000 1.184 514 R HN 0.445 nan 8.270 nan 0.000 0.492 515 Y N -1.212 119.143 120.300 0.092 0.000 2.567 515 Y HA 0.716 5.266 4.550 -0.000 0.000 0.333 515 Y C -1.158 174.852 175.900 0.182 0.000 1.106 515 Y CA -1.786 56.389 58.100 0.124 0.000 1.157 515 Y CB 1.056 39.563 38.460 0.079 0.000 1.277 515 Y HN 0.439 nan 8.280 nan 0.000 0.490 516 F N 1.381 121.584 119.950 0.421 0.000 2.579 516 F HA 0.761 5.288 4.527 -0.000 0.000 0.325 516 F C -0.133 175.977 175.800 0.517 0.000 1.162 516 F CA -0.783 57.452 58.000 0.391 0.000 0.946 516 F CB 1.588 40.747 39.000 0.265 0.000 1.211 516 F HN 0.960 nan 8.300 nan 0.000 0.447 517 G N 2.019 111.052 108.800 0.390 0.000 3.042 517 G HA2 0.639 4.598 3.960 -0.000 0.000 0.278 517 G HA3 0.639 4.598 3.960 -0.000 0.000 0.278 517 G C -1.362 173.374 174.900 -0.273 0.000 1.371 517 G CA -0.658 44.564 45.100 0.202 0.000 1.009 517 G HN 0.647 nan 8.290 nan 0.000 0.523 518 T N -2.068 112.149 114.554 -0.562 0.000 2.778 518 T HA 0.655 5.005 4.350 -0.000 0.000 0.293 518 T C -1.165 173.273 174.700 -0.437 0.000 1.144 518 T CA 0.187 61.863 62.100 -0.707 0.000 1.010 518 T CB 1.383 69.428 68.868 -1.371 0.000 1.325 518 T HN 1.311 nan 8.240 nan 0.000 0.515 519 A N 2.340 124.862 122.820 -0.495 0.000 2.271 519 A HA 0.708 5.028 4.320 -0.000 0.000 0.317 519 A C -0.567 176.746 177.584 -0.453 0.000 1.245 519 A CA -0.608 51.047 52.037 -0.636 0.000 0.857 519 A CB 0.123 18.282 19.000 -1.403 0.000 1.175 519 A HN 0.635 nan 8.150 nan 0.000 0.512 520 I N 2.053 122.429 120.570 -0.322 0.000 2.359 520 I HA 0.482 4.652 4.170 -0.000 0.000 0.294 520 I C 0.628 176.644 176.117 -0.169 0.000 0.987 520 I CA -0.290 60.888 61.300 -0.203 0.000 1.225 520 I CB 1.295 39.156 38.000 -0.232 0.000 1.366 520 I HN 0.701 nan 8.210 nan 0.000 0.466 521 A N 4.277 127.025 122.820 -0.119 0.000 2.271 521 A HA 0.457 4.777 4.320 -0.000 0.000 0.317 521 A C 1.049 178.532 177.584 -0.168 0.000 1.245 521 A CA -0.285 51.657 52.037 -0.158 0.000 0.857 521 A CB 0.655 19.533 19.000 -0.204 0.000 1.175 521 A HN 0.830 nan 8.150 nan 0.000 0.512 522 S N 2.576 118.211 115.700 -0.108 0.000 2.400 522 S HA -0.125 4.345 4.470 -0.000 0.000 0.232 522 S C 1.736 176.265 174.600 -0.117 0.000 1.025 522 S CA 1.532 59.677 58.200 -0.091 0.000 0.993 522 S CB -0.599 62.592 63.200 -0.015 0.000 0.808 522 S HN 1.207 nan 8.310 nan 0.000 0.478 523 G N 1.198 109.923 108.800 -0.125 0.000 2.625 523 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.214 523 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.214 523 G C 1.361 176.137 174.900 -0.207 0.000 1.132 523 G CA 0.287 45.309 45.100 -0.130 0.000 0.782 523 G HN 0.600 nan 8.290 nan 0.000 0.538 524 K N -0.427 119.770 120.400 -0.339 0.000 2.353 524 K HA 0.324 4.643 4.320 -0.000 0.000 0.195 524 K C 1.879 178.244 176.600 -0.391 0.000 1.031 524 K CA -0.331 55.623 56.287 -0.556 0.000 1.079 524 K CB 0.225 31.981 32.500 -1.240 0.000 0.857 524 K HN 0.218 nan 8.250 nan 0.000 0.535 525 L N 0.450 121.535 121.223 -0.230 0.000 2.450 525 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 525 L C 1.953 178.795 176.870 -0.046 0.000 1.149 525 L CA 0.986 55.738 54.840 -0.147 0.000 0.816 525 L CB -0.335 41.587 42.059 -0.229 0.000 0.932 525 L HN 0.285 nan 8.230 nan 0.000 0.449 526 G N -1.687 107.080 108.800 -0.055 0.000 2.985 526 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.209 526 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.209 526 G C 0.234 175.130 174.900 -0.006 0.000 1.165 526 G CA -0.176 44.916 45.100 -0.014 0.000 0.776 526 G HN 0.153 nan 8.290 nan 0.000 0.541 527 D N 0.443 120.834 120.400 -0.016 0.000 2.396 527 D HA 0.308 4.948 4.640 -0.000 0.000 0.225 527 D C 1.317 177.661 176.300 0.072 0.000 1.121 527 D CA -0.235 53.770 54.000 0.008 0.000 0.853 527 D CB 1.295 42.071 40.800 -0.040 0.000 1.043 527 D HN -0.060 nan 8.370 nan 0.000 0.500 528 S N 2.578 118.311 115.700 0.055 0.000 2.374 528 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 528 S C 1.952 176.587 174.600 0.058 0.000 1.037 528 S CA 1.347 59.584 58.200 0.062 0.000 1.024 528 S CB -0.000 63.224 63.200 0.041 0.000 0.861 528 S HN 0.700 nan 8.310 nan 0.000 0.456 529 A N 0.279 123.130 122.820 0.051 0.000 1.933 529 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 529 A C 1.947 179.556 177.584 0.043 0.000 1.175 529 A CA 1.592 53.650 52.037 0.035 0.000 0.628 529 A CB -0.862 18.158 19.000 0.033 0.000 0.814 529 A HN 0.598 nan 8.150 nan 0.000 0.444 530 Y N 1.699 121.960 120.300 -0.066 0.000 2.133 530 Y HA -0.215 4.335 4.550 -0.000 0.000 0.287 530 Y C 2.939 178.789 175.900 -0.083 0.000 1.134 530 Y CA 2.623 60.665 58.100 -0.096 0.000 1.133 530 Y CB -0.673 37.718 38.460 -0.116 0.000 0.987 530 Y HN 0.436 nan 8.280 nan 0.000 0.502 531 T N -3.613 110.970 114.554 0.048 0.000 2.867 531 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 531 T C 1.816 176.568 174.700 0.086 0.000 1.057 531 T CA 1.698 63.837 62.100 0.066 0.000 1.136 531 T CB -1.065 67.941 68.868 0.230 0.000 0.874 531 T HN 0.333 nan 8.240 nan 0.000 0.466 532 T N 2.221 116.790 114.554 0.025 0.000 2.720 532 T HA 0.057 4.407 4.350 -0.000 0.000 0.268 532 T C 1.887 176.538 174.700 -0.081 0.000 1.037 532 T CA 1.460 63.555 62.100 -0.009 0.000 1.144 532 T CB -0.426 68.430 68.868 -0.021 0.000 0.864 532 T HN 0.423 nan 8.240 nan 0.000 0.444 533 I N 1.088 121.549 120.570 -0.182 0.000 2.193 533 I HA -0.113 4.057 4.170 -0.000 0.000 0.240 533 I C 2.979 178.930 176.117 -0.276 0.000 1.084 533 I CA 1.049 62.136 61.300 -0.355 0.000 1.365 533 I CB -0.566 37.045 38.000 -0.649 0.000 1.064 533 I HN 0.179 nan 8.210 nan 0.000 0.410 534 A N -0.067 122.651 122.820 -0.170 0.000 1.908 534 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 534 A C 2.507 180.290 177.584 0.332 0.000 1.181 534 A CA 2.387 54.509 52.037 0.141 0.000 0.627 534 A CB -0.842 18.067 19.000 -0.152 0.000 0.818 534 A HN 0.400 nan 8.150 nan 0.000 0.445 535 S N -1.091 114.782 115.700 0.289 0.000 2.383 535 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 535 S C 2.203 176.797 174.600 -0.009 0.000 1.026 535 S CA 1.391 59.665 58.200 0.122 0.000 0.981 535 S CB -0.339 62.897 63.200 0.061 0.000 0.818 535 S HN 0.628 nan 8.310 nan 0.000 0.472 536 R N 0.268 120.738 120.500 -0.050 0.000 2.073 536 R HA 0.026 4.366 4.340 -0.000 0.000 0.229 536 R C 1.802 178.017 176.300 -0.142 0.000 1.120 536 R CA 1.425 57.470 56.100 -0.091 0.000 0.967 536 R CB -0.109 30.134 30.300 -0.096 0.000 0.862 536 R HN 0.348 nan 8.270 nan 0.000 0.436 537 E N -0.410 119.611 120.200 -0.298 0.000 2.250 537 E HA 0.015 4.365 4.350 -0.000 0.000 0.192 537 E C -0.192 176.063 176.600 -0.574 0.000 0.986 537 E CA 0.506 56.591 56.400 -0.524 0.000 0.849 537 E CB 0.258 29.434 29.700 -0.873 0.000 0.797 537 E HN 0.141 nan 8.360 nan 0.000 0.482 538 F N 1.525 121.551 119.950 0.125 0.000 2.522 538 F HA 0.249 4.776 4.527 -0.000 0.000 0.324 538 F C 0.966 176.831 175.800 0.107 0.000 1.077 538 F CA -1.200 56.904 58.000 0.174 0.000 0.944 538 F CB 0.872 39.985 39.000 0.189 0.000 1.175 538 F HN -0.183 nan 8.300 nan 0.000 0.468 539 N N 0.597 119.485 118.700 0.314 0.000 2.200 539 N HA 0.321 5.061 4.740 -0.000 0.000 0.224 539 N C -0.651 174.909 175.510 0.084 0.000 1.179 539 N CA -0.081 53.061 53.050 0.153 0.000 0.877 539 N CB 0.715 39.282 38.487 0.133 0.000 1.072 539 N HN 0.574 nan 8.380 nan 0.000 0.519 540 M N 0.403 120.064 119.600 0.102 0.000 2.433 540 M HA 0.589 5.069 4.480 -0.000 0.000 0.290 540 M C -2.160 174.110 176.300 -0.049 0.000 1.173 540 M CA -0.861 54.382 55.300 -0.096 0.000 0.905 540 M CB 2.454 34.839 32.600 -0.359 0.000 1.692 540 M HN -0.169 nan 8.290 nan 0.000 0.462 541 V N 2.925 122.779 119.914 -0.099 0.000 2.760 541 V HA 0.758 4.878 4.120 -0.000 0.000 0.309 541 V C -0.789 175.232 176.094 -0.121 0.000 1.077 541 V CA -0.518 61.738 62.300 -0.072 0.000 0.910 541 V CB 2.546 34.394 31.823 0.042 0.000 1.008 541 V HN 0.911 nan 8.190 nan 0.000 0.424 542 T N 3.456 117.925 114.554 -0.142 0.000 2.841 542 T HA 0.663 5.013 4.350 -0.000 0.000 0.283 542 T C 0.000 174.612 174.700 -0.148 0.000 1.000 542 T CA -0.288 61.736 62.100 -0.126 0.000 0.977 542 T CB 1.708 70.538 68.868 -0.065 0.000 0.979 542 T HN 0.937 nan 8.240 nan 0.000 0.446 543 A N 1.918 124.698 122.820 -0.067 0.000 2.404 543 A HA 0.283 4.602 4.320 -0.000 0.000 0.273 543 A C 1.349 178.909 177.584 -0.040 0.000 1.144 543 A CA -0.379 51.635 52.037 -0.038 0.000 0.806 543 A CB -0.063 18.965 19.000 0.047 0.000 1.080 543 A HN 1.069 nan 8.150 nan 0.000 0.509 544 E N 2.272 122.359 120.200 -0.189 0.000 2.160 544 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 544 E C 0.664 177.333 176.600 0.114 0.000 0.991 544 E CA 1.801 58.053 56.400 -0.248 0.000 0.810 544 E CB 0.078 29.535 29.700 -0.406 0.000 0.742 544 E HN 0.802 nan 8.360 nan 0.000 0.466 545 N N -1.366 117.405 118.700 0.119 0.000 1.921 545 N HA -0.025 4.715 4.740 -0.000 0.000 0.237 545 N C 0.649 176.264 175.510 0.175 0.000 1.352 545 N CA 0.185 53.345 53.050 0.183 0.000 0.805 545 N CB 0.284 38.847 38.487 0.128 0.000 1.159 545 N HN -0.022 nan 8.380 nan 0.000 0.473 546 E N 0.821 121.107 120.200 0.144 0.000 2.333 546 E HA 0.063 4.413 4.350 -0.000 0.000 0.198 546 E C 1.110 177.854 176.600 0.240 0.000 1.007 546 E CA 1.011 57.511 56.400 0.166 0.000 0.845 546 E CB -0.010 29.776 29.700 0.144 0.000 0.766 546 E HN 0.364 nan 8.360 nan 0.000 0.507 547 M N -0.183 119.576 119.600 0.265 0.000 2.484 547 M HA 0.169 4.649 4.480 -0.000 0.000 0.307 547 M C -0.036 176.491 176.300 0.379 0.000 1.149 547 M CA -0.103 55.414 55.300 0.361 0.000 0.972 547 M CB 0.631 33.417 32.600 0.310 0.000 1.400 547 M HN -0.161 nan 8.290 nan 0.000 0.508 548 K N 0.533 121.114 120.400 0.302 0.000 2.118 548 K HA 0.308 4.628 4.320 -0.000 0.000 0.240 548 K C 1.118 177.882 176.600 0.273 0.000 1.035 548 K CA -0.299 56.154 56.287 0.277 0.000 0.899 548 K CB 1.262 33.919 32.500 0.262 0.000 1.085 548 K HN 0.056 nan 8.250 nan 0.000 0.498 549 I N 1.259 121.930 120.570 0.168 0.000 2.099 549 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 549 I C 2.020 178.132 176.117 -0.007 0.000 1.066 549 I CA 1.567 62.847 61.300 -0.034 0.000 1.324 549 I CB -0.542 37.264 38.000 -0.323 0.000 1.037 549 I HN 0.735 nan 8.210 nan 0.000 0.401 550 D N 1.815 122.182 120.400 -0.054 0.000 2.182 550 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 550 D C 1.965 178.292 176.300 0.044 0.000 0.986 550 D CA 1.616 55.591 54.000 -0.042 0.000 0.847 550 D CB -0.417 40.332 40.800 -0.085 0.000 0.942 550 D HN 0.380 nan 8.370 nan 0.000 0.467 551 A N 0.383 123.255 122.820 0.087 0.000 1.970 551 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 551 A C 2.308 179.953 177.584 0.102 0.000 1.170 551 A CA 1.984 54.081 52.037 0.099 0.000 0.645 551 A CB -0.733 18.346 19.000 0.132 0.000 0.816 551 A HN 0.453 nan 8.150 nan 0.000 0.447 552 T N -3.293 111.368 114.554 0.177 0.000 3.057 552 T HA 0.173 4.523 4.350 -0.000 0.000 0.254 552 T C 0.573 175.294 174.700 0.034 0.000 1.094 552 T CA 0.811 62.985 62.100 0.124 0.000 1.088 552 T CB 0.076 69.171 68.868 0.380 0.000 0.934 552 T HN 0.455 nan 8.240 nan 0.000 0.497 553 E N 1.400 121.676 120.200 0.127 0.000 3.352 553 E HA 0.285 4.635 4.350 -0.000 0.000 0.254 553 E C -2.429 174.267 176.600 0.160 0.000 1.229 553 E CA -1.961 54.408 56.400 -0.053 0.000 0.949 553 E CB 1.344 31.043 29.700 -0.002 0.000 1.373 553 E HN 0.059 nan 8.360 nan 0.000 0.392 554 P HA -0.164 nan 4.420 nan 0.000 0.216 554 P C -0.361 177.063 177.300 0.207 0.000 1.153 554 P CA 1.316 64.490 63.100 0.124 0.000 0.858 554 P CB 0.242 31.945 31.700 0.006 0.000 0.789 555 Q N -1.592 118.138 119.800 -0.117 0.000 2.394 555 Q HA 0.351 4.691 4.340 -0.000 0.000 0.273 555 Q C -0.385 174.978 176.000 -1.061 0.000 1.089 555 Q CA -1.148 54.344 55.803 -0.517 0.000 0.812 555 Q CB 2.158 30.705 28.738 -0.319 0.000 1.353 555 Q HN -0.120 nan 8.270 nan 0.000 0.438 556 R N 0.389 119.780 120.500 -1.849 0.000 2.473 556 R HA 0.098 4.438 4.340 -0.000 0.000 0.315 556 R C 0.697 176.499 176.300 -0.829 0.000 0.972 556 R CA 1.747 56.777 56.100 -1.783 0.000 1.047 556 R CB -0.471 28.941 30.300 -1.480 0.000 0.932 556 R HN 0.970 nan 8.270 nan 0.000 0.411 557 G N 2.899 111.290 108.800 -0.681 0.000 2.176 557 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.253 557 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.253 557 G C -0.013 174.688 174.900 -0.331 0.000 0.979 557 G CA 0.419 45.306 45.100 -0.355 0.000 0.641 557 G HN 0.620 nan 8.290 nan 0.000 0.530 558 Q N 0.256 119.751 119.800 -0.509 0.000 2.462 558 Q HA 0.642 4.982 4.340 -0.000 0.000 0.247 558 Q C -0.661 175.071 176.000 -0.447 0.000 1.044 558 Q CA -0.894 54.708 55.803 -0.335 0.000 0.803 558 Q CB 0.116 28.694 28.738 -0.268 0.000 1.190 558 Q HN 0.185 nan 8.270 nan 0.000 0.507 559 F N 2.241 122.076 119.950 -0.191 0.000 2.375 559 F HA 0.371 4.898 4.527 -0.000 0.000 0.333 559 F C 0.752 176.224 175.800 -0.546 0.000 1.104 559 F CA -0.367 57.403 58.000 -0.385 0.000 1.149 559 F CB 1.010 39.776 39.000 -0.389 0.000 1.190 559 F HN 0.471 nan 8.300 nan 0.000 0.533 560 N N 2.695 121.033 118.700 -0.603 0.000 2.480 560 N HA 0.235 4.975 4.740 -0.000 0.000 0.289 560 N C -1.054 174.090 175.510 -0.610 0.000 1.073 560 N CA -0.309 52.463 53.050 -0.464 0.000 0.885 560 N CB 0.789 39.157 38.487 -0.199 0.000 1.421 560 N HN 0.391 nan 8.380 nan 0.000 0.503 561 F N 0.976 120.887 119.950 -0.065 0.000 2.654 561 F HA 0.152 4.679 4.527 -0.000 0.000 0.303 561 F C 2.198 178.037 175.800 0.066 0.000 1.099 561 F CA -0.283 57.676 58.000 -0.068 0.000 1.270 561 F CB 0.125 38.795 39.000 -0.550 0.000 1.024 561 F HN 0.439 nan 8.300 nan 0.000 0.548 562 S N 0.564 116.363 115.700 0.165 0.000 2.356 562 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 562 S C 2.364 177.073 174.600 0.182 0.000 1.032 562 S CA 1.117 59.415 58.200 0.163 0.000 1.005 562 S CB -0.788 62.470 63.200 0.098 0.000 0.867 562 S HN 0.258 nan 8.310 nan 0.000 0.449 563 A N 1.977 124.893 122.820 0.160 0.000 1.898 563 A HA 0.247 4.567 4.320 -0.000 0.000 0.216 563 A C 2.414 180.125 177.584 0.213 0.000 1.181 563 A CA 1.545 53.674 52.037 0.153 0.000 0.620 563 A CB -1.730 17.342 19.000 0.119 0.000 0.819 563 A HN 0.656 nan 8.150 nan 0.000 0.442 564 G N -0.241 108.742 108.800 0.305 0.000 2.402 564 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 564 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 564 G C 1.085 176.241 174.900 0.426 0.000 1.162 564 G CA 1.179 46.511 45.100 0.387 0.000 0.777 564 G HN 0.443 nan 8.290 nan 0.000 0.539 565 D N 0.337 121.018 120.400 0.469 0.000 2.219 565 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 565 D C 2.653 179.169 176.300 0.360 0.000 0.970 565 D CA 0.416 54.695 54.000 0.465 0.000 0.851 565 D CB -0.158 40.882 40.800 0.400 0.000 0.943 565 D HN 0.271 nan 8.370 nan 0.000 0.488 566 R N 0.174 120.835 120.500 0.268 0.000 2.081 566 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 566 R C 2.306 178.740 176.300 0.222 0.000 1.131 566 R CA 0.709 56.935 56.100 0.210 0.000 0.960 566 R CB -0.299 30.087 30.300 0.143 0.000 0.856 566 R HN 0.094 nan 8.270 nan 0.000 0.436 567 V N 0.075 120.113 119.914 0.207 0.000 2.270 567 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 567 V C 1.938 178.176 176.094 0.240 0.000 1.043 567 V CA 1.716 64.124 62.300 0.179 0.000 1.014 567 V CB -0.669 31.222 31.823 0.113 0.000 0.645 567 V HN 0.273 nan 8.190 nan 0.000 0.447 568 Y N 2.111 122.495 120.300 0.139 0.000 2.081 568 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 568 Y C 2.566 178.547 175.900 0.135 0.000 1.163 568 Y CA 2.239 60.402 58.100 0.106 0.000 1.135 568 Y CB -0.486 38.058 38.460 0.140 0.000 0.970 568 Y HN 0.292 nan 8.280 nan 0.000 0.498 569 N N -0.438 118.389 118.700 0.211 0.000 2.094 569 N HA -0.264 4.476 4.740 -0.000 0.000 0.191 569 N C 1.553 177.081 175.510 0.030 0.000 1.023 569 N CA 1.744 54.855 53.050 0.103 0.000 0.857 569 N CB -1.230 37.378 38.487 0.201 0.000 1.013 569 N HN 0.679 nan 8.380 nan 0.000 0.426 570 W N 1.817 123.092 121.300 -0.042 0.000 2.358 570 W HA -0.040 4.620 4.660 0.000 0.000 0.303 570 W C 2.342 178.801 176.519 -0.100 0.000 1.208 570 W CA 2.138 59.455 57.345 -0.046 0.000 1.274 570 W CB -0.370 29.086 29.460 -0.007 0.000 1.138 570 W HN 0.096 nan 8.180 nan 0.000 0.515 571 A N 0.332 123.188 122.820 0.061 0.000 1.851 571 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 571 A C 2.116 179.493 177.584 -0.345 0.000 1.195 571 A CA 3.242 55.196 52.037 -0.138 0.000 0.622 571 A CB -1.682 17.270 19.000 -0.080 0.000 0.831 571 A HN 0.582 nan 8.150 nan 0.000 0.444 572 V N -1.820 117.845 119.914 -0.415 0.000 2.490 572 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 572 V C 2.400 178.324 176.094 -0.283 0.000 1.061 572 V CA 2.568 64.652 62.300 -0.359 0.000 1.064 572 V CB -1.309 30.257 31.823 -0.428 0.000 0.670 572 V HN 0.599 nan 8.190 nan 0.000 0.461 573 Q N 1.496 121.118 119.800 -0.296 0.000 2.226 573 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 573 Q C 1.534 177.332 176.000 -0.336 0.000 0.975 573 Q CA 1.973 57.618 55.803 -0.263 0.000 0.866 573 Q CB -0.292 28.303 28.738 -0.238 0.000 0.915 573 Q HN 0.769 nan 8.270 nan 0.000 0.440 574 N N -0.706 117.704 118.700 -0.484 0.000 2.328 574 N HA 0.176 4.916 4.740 -0.000 0.000 0.247 574 N C -0.201 175.114 175.510 -0.325 0.000 1.165 574 N CA 0.638 53.396 53.050 -0.488 0.000 0.873 574 N CB 1.034 39.001 38.487 -0.867 0.000 1.125 574 N HN 0.375 nan 8.380 nan 0.000 0.513 575 G N 1.257 109.911 108.800 -0.244 0.000 2.225 575 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 575 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 575 G C -0.021 174.795 174.900 -0.139 0.000 1.024 575 G CA 0.674 45.677 45.100 -0.163 0.000 0.784 575 G HN 0.273 nan 8.290 nan 0.000 0.507 576 K N -0.086 120.209 120.400 -0.174 0.000 2.118 576 K HA 0.629 4.949 4.320 -0.000 0.000 0.254 576 K C 0.697 177.216 176.600 -0.134 0.000 0.961 576 K CA -0.533 55.684 56.287 -0.118 0.000 0.876 576 K CB 1.292 33.742 32.500 -0.083 0.000 1.077 576 K HN 0.367 nan 8.250 nan 0.000 0.440 577 Q N 0.350 120.077 119.800 -0.121 0.000 2.249 577 Q HA 0.522 4.862 4.340 -0.000 0.000 0.226 577 Q C -0.776 175.124 176.000 -0.166 0.000 0.983 577 Q CA -0.906 54.813 55.803 -0.140 0.000 0.930 577 Q CB 1.459 30.104 28.738 -0.155 0.000 1.193 577 Q HN 0.225 nan 8.270 nan 0.000 0.508 578 V N 1.163 120.978 119.914 -0.165 0.000 2.709 578 V HA 0.417 4.537 4.120 -0.000 0.000 0.308 578 V C -0.744 175.187 176.094 -0.271 0.000 1.062 578 V CA -0.817 61.372 62.300 -0.186 0.000 0.901 578 V CB 1.942 33.700 31.823 -0.107 0.000 1.003 578 V HN 0.652 nan 8.190 nan 0.000 0.425 579 R N 2.414 122.743 120.500 -0.284 0.000 2.294 579 R HA 0.580 4.920 4.340 -0.000 0.000 0.319 579 R C 0.313 176.354 176.300 -0.432 0.000 0.984 579 R CA -0.474 55.437 56.100 -0.316 0.000 0.861 579 R CB 1.800 31.983 30.300 -0.195 0.000 1.104 579 R HN 0.898 nan 8.270 nan 0.000 0.451 580 G N 1.666 109.974 108.800 -0.820 0.000 2.355 580 G HA2 0.180 4.140 3.960 -0.000 0.000 0.276 580 G HA3 0.180 4.140 3.960 -0.000 0.000 0.276 580 G C -0.954 173.780 174.900 -0.277 0.000 1.198 580 G CA -0.018 44.318 45.100 -1.274 0.000 0.876 580 G HN 0.643 nan 8.290 nan 0.000 0.478 581 H N 0.272 119.304 119.070 -0.064 0.000 3.018 581 H HA 0.616 5.172 4.556 -0.000 0.000 0.334 581 H C -0.781 174.696 175.328 0.248 0.000 0.983 581 H CA -0.307 55.814 56.048 0.121 0.000 1.363 581 H CB 2.104 31.901 29.762 0.060 0.000 1.668 581 H HN 0.626 nan 8.280 nan 0.000 0.513 582 T N 4.672 119.232 114.554 0.010 0.000 2.923 582 T HA 0.256 4.606 4.350 -0.000 0.000 0.311 582 T C 0.561 175.360 174.700 0.164 0.000 1.183 582 T CA -0.658 61.413 62.100 -0.049 0.000 1.020 582 T CB 1.087 69.549 68.868 -0.676 0.000 1.165 582 T HN 0.568 nan 8.240 nan 0.000 0.482 583 L N 2.114 123.432 121.223 0.158 0.000 2.162 583 L HA 0.489 4.829 4.340 -0.000 0.000 0.205 583 L C 1.273 178.274 176.870 0.218 0.000 1.086 583 L CA 0.499 55.436 54.840 0.162 0.000 0.778 583 L CB -0.158 41.869 42.059 -0.054 0.000 0.928 583 L HN 0.685 nan 8.230 nan 0.000 0.446 584 A N -1.185 121.752 122.820 0.194 0.000 2.353 584 A HA 0.562 4.882 4.320 -0.000 0.000 0.299 584 A C -1.972 175.863 177.584 0.420 0.000 1.089 584 A CA -0.202 52.013 52.037 0.297 0.000 0.736 584 A CB 1.022 20.262 19.000 0.401 0.000 1.195 584 A HN 0.180 nan 8.150 nan 0.000 0.447 585 W N 3.862 125.208 121.300 0.078 0.000 3.464 585 W HA 0.335 4.995 4.660 -0.000 0.000 0.292 585 W C 0.447 176.929 176.519 -0.062 0.000 1.262 585 W CA -0.793 56.585 57.345 0.054 0.000 1.202 585 W CB 0.721 30.147 29.460 -0.057 0.000 1.334 585 W HN 0.827 nan 8.180 nan 0.000 0.561 586 H N 1.103 120.170 119.070 -0.006 0.000 2.502 586 H HA 0.157 4.713 4.556 -0.000 0.000 0.283 586 H C 0.224 175.232 175.328 -0.532 0.000 1.015 586 H CA 1.054 56.951 56.048 -0.253 0.000 1.298 586 H CB 0.054 29.749 29.762 -0.113 0.000 1.411 586 H HN 0.091 nan 8.280 nan 0.000 0.556 587 S N 0.102 114.697 115.700 -1.842 0.000 2.651 587 S HA 0.176 4.646 4.470 -0.000 0.000 0.291 587 S C 0.022 173.799 174.600 -1.371 0.000 1.141 587 S CA -0.442 56.759 58.200 -1.665 0.000 1.027 587 S CB 0.841 62.848 63.200 -1.990 0.000 1.043 587 S HN 0.546 nan 8.310 nan 0.000 0.530 588 Q N 0.664 119.976 119.800 -0.812 0.000 2.453 588 Q HA -0.205 4.135 4.340 -0.000 0.000 0.294 588 Q C -0.652 175.117 176.000 -0.387 0.000 1.295 588 Q CA 0.705 56.216 55.803 -0.486 0.000 0.853 588 Q CB -1.211 27.301 28.738 -0.377 0.000 1.193 588 Q HN 0.661 nan 8.270 nan 0.000 0.461 589 Q N 1.000 120.547 119.800 -0.422 0.000 2.259 589 Q HA 0.371 4.711 4.340 -0.000 0.000 0.249 589 Q C -1.962 173.790 176.000 -0.414 0.000 0.914 589 Q CA -1.829 53.717 55.803 -0.429 0.000 0.904 589 Q CB 0.896 29.360 28.738 -0.455 0.000 1.213 589 Q HN 0.123 nan 8.270 nan 0.000 0.428 590 P HA -0.072 nan 4.420 nan 0.000 0.271 590 P C 0.373 177.385 177.300 -0.479 0.000 1.233 590 P CA 0.102 62.948 63.100 -0.425 0.000 0.789 590 P CB 0.600 32.044 31.700 -0.427 0.000 0.951 591 G N 1.486 110.142 108.800 -0.240 0.000 2.469 591 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 591 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 591 G C 1.425 176.241 174.900 -0.139 0.000 1.150 591 G CA 0.556 45.562 45.100 -0.156 0.000 0.763 591 G HN 0.762 nan 8.290 nan 0.000 0.561 592 W N 0.030 121.279 121.300 -0.085 0.000 2.350 592 W HA -0.035 4.625 4.660 -0.000 0.000 0.289 592 W C 2.069 178.537 176.519 -0.085 0.000 1.215 592 W CA 1.139 58.435 57.345 -0.081 0.000 1.236 592 W CB -0.824 28.585 29.460 -0.086 0.000 1.130 592 W HN 0.298 nan 8.180 nan 0.000 0.541 593 M N 1.301 120.390 119.600 -0.852 0.000 2.334 593 M HA -0.120 4.360 4.480 -0.000 0.000 0.266 593 M C 2.461 178.525 176.300 -0.393 0.000 1.082 593 M CA 1.482 56.313 55.300 -0.783 0.000 1.141 593 M CB -0.236 31.602 32.600 -1.270 0.000 1.380 593 M HN -0.030 nan 8.290 nan 0.000 0.440 594 Q N -0.028 119.559 119.800 -0.356 0.000 2.181 594 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 594 Q C 1.671 177.582 176.000 -0.148 0.000 0.980 594 Q CA 1.897 57.559 55.803 -0.234 0.000 0.862 594 Q CB -0.184 28.430 28.738 -0.207 0.000 0.905 594 Q HN 0.630 nan 8.270 nan 0.000 0.429 595 S N -0.358 115.279 115.700 -0.105 0.000 2.650 595 S HA 0.163 4.633 4.470 -0.000 0.000 0.219 595 S C 0.633 175.212 174.600 -0.035 0.000 0.960 595 S CA -0.112 58.056 58.200 -0.053 0.000 0.925 595 S CB -0.055 63.134 63.200 -0.018 0.000 0.775 595 S HN 0.112 nan 8.310 nan 0.000 0.525 596 L N 2.157 123.348 121.223 -0.053 0.000 2.375 596 L HA 0.690 5.030 4.340 -0.000 0.000 0.268 596 L C 0.334 177.171 176.870 -0.055 0.000 1.058 596 L CA -0.501 54.322 54.840 -0.028 0.000 0.803 596 L CB 1.646 43.705 42.059 0.000 0.000 1.212 596 L HN 0.378 nan 8.230 nan 0.000 0.451 597 S N -0.338 115.340 115.700 -0.037 0.000 2.643 597 S HA 0.816 5.286 4.470 -0.000 0.000 0.270 597 S C -0.134 174.449 174.600 -0.029 0.000 1.166 597 S CA -0.261 57.909 58.200 -0.050 0.000 0.815 597 S CB 1.193 64.364 63.200 -0.047 0.000 1.139 597 S HN 1.236 nan 8.310 nan 0.000 0.472 598 G N 1.799 110.580 108.800 -0.031 0.000 2.578 598 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.284 598 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.284 598 G C 1.059 175.961 174.900 0.003 0.000 1.283 598 G CA 1.496 46.589 45.100 -0.011 0.000 0.944 598 G HN 2.209 nan 8.290 nan 0.000 0.558 599 S N -1.613 114.096 115.700 0.016 0.000 2.402 599 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 599 S C 2.203 176.823 174.600 0.034 0.000 1.030 599 S CA 2.708 60.925 58.200 0.028 0.000 1.003 599 S CB -0.874 62.342 63.200 0.027 0.000 0.813 599 S HN 1.158 nan 8.310 nan 0.000 0.477 600 T N 2.552 117.124 114.554 0.029 0.000 2.821 600 T HA 0.102 4.452 4.350 -0.000 0.000 0.267 600 T C 1.675 176.408 174.700 0.055 0.000 1.046 600 T CA 1.132 63.257 62.100 0.042 0.000 1.139 600 T CB -0.432 68.459 68.868 0.038 0.000 0.871 600 T HN 0.306 nan 8.240 nan 0.000 0.454 601 L N 0.690 121.930 121.223 0.029 0.000 2.072 601 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 601 L C 2.790 179.679 176.870 0.032 0.000 1.079 601 L CA 1.372 56.220 54.840 0.013 0.000 0.752 601 L CB -0.231 41.798 42.059 -0.049 0.000 0.906 601 L HN 0.118 nan 8.230 nan 0.000 0.436 602 R N 0.201 120.723 120.500 0.037 0.000 2.091 602 R HA -0.263 4.077 4.340 -0.000 0.000 0.238 602 R C 2.175 178.531 176.300 0.094 0.000 1.136 602 R CA 2.030 58.172 56.100 0.071 0.000 0.959 602 R CB -0.525 29.820 30.300 0.075 0.000 0.856 602 R HN 0.328 nan 8.270 nan 0.000 0.437 603 Q N -0.454 119.398 119.800 0.086 0.000 2.172 603 Q HA 0.152 4.492 4.340 -0.000 0.000 0.200 603 Q C 1.810 177.887 176.000 0.128 0.000 0.964 603 Q CA 1.760 57.620 55.803 0.094 0.000 0.855 603 Q CB -0.300 28.482 28.738 0.075 0.000 0.918 603 Q HN 0.395 nan 8.270 nan 0.000 0.444 604 A N 0.457 123.365 122.820 0.147 0.000 1.902 604 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 604 A C 2.136 179.864 177.584 0.240 0.000 1.181 604 A CA 1.635 53.808 52.037 0.226 0.000 0.623 604 A CB -0.705 18.473 19.000 0.295 0.000 0.818 604 A HN 0.582 nan 8.150 nan 0.000 0.443 605 M N -0.340 119.361 119.600 0.169 0.000 2.080 605 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 605 M C 1.974 178.399 176.300 0.207 0.000 1.068 605 M CA 2.024 57.431 55.300 0.177 0.000 1.109 605 M CB -0.356 32.335 32.600 0.150 0.000 1.342 605 M HN 0.438 nan 8.290 nan 0.000 0.405 606 I N 0.414 121.082 120.570 0.164 0.000 2.226 606 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 606 I C 1.834 178.035 176.117 0.139 0.000 1.100 606 I CA 1.327 62.703 61.300 0.128 0.000 1.374 606 I CB -0.768 37.291 38.000 0.098 0.000 1.057 606 I HN 0.315 nan 8.210 nan 0.000 0.413 607 D N -0.301 120.209 120.400 0.183 0.000 2.144 607 D HA -0.237 4.403 4.640 -0.000 0.000 0.199 607 D C 1.989 178.492 176.300 0.339 0.000 0.984 607 D CA 1.479 55.612 54.000 0.221 0.000 0.834 607 D CB -0.370 40.570 40.800 0.234 0.000 0.955 607 D HN 0.437 nan 8.370 nan 0.000 0.465 608 H N 0.531 119.788 119.070 0.312 0.000 2.326 608 H HA 0.006 4.562 4.556 -0.000 0.000 0.301 608 H C 2.192 177.658 175.328 0.229 0.000 1.081 608 H CA 1.259 57.553 56.048 0.411 0.000 1.334 608 H CB -0.308 29.636 29.762 0.304 0.000 1.385 608 H HN 0.041 nan 8.280 nan 0.000 0.504 609 I N 0.308 120.947 120.570 0.115 0.000 2.163 609 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 609 I C 2.081 178.092 176.117 -0.176 0.000 1.085 609 I CA 1.382 62.634 61.300 -0.079 0.000 1.347 609 I CB -0.365 37.606 38.000 -0.049 0.000 1.044 609 I HN 0.385 nan 8.210 nan 0.000 0.408 610 N N 1.141 119.780 118.700 -0.102 0.000 2.084 610 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 610 N C 1.907 177.261 175.510 -0.261 0.000 1.030 610 N CA 1.717 54.680 53.050 -0.144 0.000 0.849 610 N CB -0.806 37.636 38.487 -0.075 0.000 1.012 610 N HN 0.451 nan 8.380 nan 0.000 0.423 611 G N 0.931 109.495 108.800 -0.394 0.000 2.446 611 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 611 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 611 G C 1.735 176.286 174.900 -0.583 0.000 1.168 611 G CA 0.993 45.540 45.100 -0.923 0.000 0.771 611 G HN 0.212 nan 8.290 nan 0.000 0.551 612 V N 0.954 120.662 119.914 -0.344 0.000 2.323 612 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 612 V C 2.893 178.916 176.094 -0.118 0.000 1.041 612 V CA 1.924 64.200 62.300 -0.041 0.000 1.025 612 V CB -0.417 31.404 31.823 -0.002 0.000 0.656 612 V HN 0.342 nan 8.190 nan 0.000 0.451 613 M N 0.370 119.792 119.600 -0.297 0.000 2.175 613 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 613 M C 2.296 178.521 176.300 -0.125 0.000 1.063 613 M CA 1.913 57.063 55.300 -0.250 0.000 1.119 613 M CB -0.854 31.506 32.600 -0.399 0.000 1.377 613 M HN 0.500 nan 8.290 nan 0.000 0.415 614 G N -0.696 107.988 108.800 -0.192 0.000 2.446 614 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 614 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 614 G C 1.184 175.944 174.900 -0.233 0.000 1.168 614 G CA 1.479 46.470 45.100 -0.182 0.000 0.771 614 G HN 0.479 nan 8.290 nan 0.000 0.551 615 H N -0.489 118.283 119.070 -0.495 0.000 2.353 615 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 615 H C 1.457 176.348 175.328 -0.727 0.000 1.090 615 H CA 1.426 56.990 56.048 -0.806 0.000 1.327 615 H CB -0.140 28.574 29.762 -1.745 0.000 1.383 615 H HN 0.416 nan 8.280 nan 0.000 0.508 616 Y N 0.525 120.644 120.300 -0.301 0.000 2.493 616 Y HA 0.189 4.739 4.550 -0.000 0.000 0.275 616 Y C 0.694 176.535 175.900 -0.098 0.000 1.183 616 Y CA -0.340 57.618 58.100 -0.238 0.000 1.258 616 Y CB -0.200 38.277 38.460 0.029 0.000 1.108 616 Y HN 0.030 nan 8.280 nan 0.000 0.521 617 K N 0.816 121.213 120.400 -0.005 0.000 2.473 617 K HA 0.073 4.393 4.320 -0.000 0.000 0.277 617 K C 1.283 177.897 176.600 0.022 0.000 1.052 617 K CA 1.301 57.600 56.287 0.021 0.000 1.114 617 K CB -0.295 32.179 32.500 -0.043 0.000 0.869 617 K HN 0.614 nan 8.250 nan 0.000 0.481 618 G N 3.700 112.541 108.800 0.069 0.000 2.162 618 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 618 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 618 G C 0.507 175.445 174.900 0.063 0.000 0.976 618 G CA 0.773 45.906 45.100 0.055 0.000 0.655 618 G HN 0.737 nan 8.290 nan 0.000 0.533 619 K N -0.742 119.705 120.400 0.079 0.000 2.380 619 K HA 0.353 4.673 4.320 -0.000 0.000 0.198 619 K C 0.496 177.159 176.600 0.105 0.000 1.070 619 K CA -0.066 56.285 56.287 0.106 0.000 1.040 619 K CB 0.881 33.399 32.500 0.030 0.000 0.903 619 K HN 0.319 nan 8.250 nan 0.000 0.549 620 I N 1.134 121.729 120.570 0.042 0.000 2.354 620 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 620 I C 1.187 177.251 176.117 -0.087 0.000 0.989 620 I CA -0.272 60.954 61.300 -0.123 0.000 1.188 620 I CB 1.048 38.800 38.000 -0.412 0.000 1.342 620 I HN -0.008 nan 8.210 nan 0.000 0.457 621 A N 6.391 129.138 122.820 -0.120 0.000 1.873 621 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 621 A C 0.819 178.374 177.584 -0.049 0.000 1.186 621 A CA 1.202 53.196 52.037 -0.071 0.000 0.616 621 A CB 0.011 18.946 19.000 -0.109 0.000 0.823 621 A HN 0.785 nan 8.150 nan 0.000 0.442 622 Q N -3.280 116.443 119.800 -0.128 0.000 2.389 622 Q HA 0.490 4.830 4.340 -0.000 0.000 0.277 622 Q C -2.007 173.908 176.000 -0.141 0.000 1.082 622 Q CA -0.367 55.410 55.803 -0.043 0.000 0.810 622 Q CB 2.101 30.833 28.738 -0.010 0.000 1.374 622 Q HN 0.546 nan 8.270 nan 0.000 0.422 623 W N 1.300 122.624 121.300 0.041 0.000 2.600 623 W HA 0.313 4.973 4.660 -0.000 0.000 0.325 623 W C -0.744 175.788 176.519 0.021 0.000 1.034 623 W CA -0.459 56.902 57.345 0.025 0.000 1.226 623 W CB 1.674 31.141 29.460 0.011 0.000 1.379 623 W HN 0.447 nan 8.180 nan 0.000 0.466 624 D N 3.598 124.193 120.400 0.324 0.000 2.453 624 D HA 0.059 4.699 4.640 -0.000 0.000 0.223 624 D C 1.182 177.561 176.300 0.133 0.000 1.183 624 D CA 0.219 54.318 54.000 0.164 0.000 0.933 624 D CB 1.255 42.131 40.800 0.127 0.000 1.038 624 D HN 0.118 nan 8.370 nan 0.000 0.513 625 V N 1.848 121.777 119.914 0.025 0.000 2.295 625 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 625 V C 1.113 177.108 176.094 -0.166 0.000 1.049 625 V CA 1.112 63.285 62.300 -0.211 0.000 1.024 625 V CB 0.027 31.401 31.823 -0.750 0.000 0.648 625 V HN 0.269 nan 8.190 nan 0.000 0.447 626 V N 0.336 120.184 119.914 -0.110 0.000 2.656 626 V HA 0.514 4.634 4.120 -0.000 0.000 0.307 626 V C -0.781 175.250 176.094 -0.106 0.000 1.051 626 V CA -0.749 61.585 62.300 0.057 0.000 0.893 626 V CB 1.882 33.849 31.823 0.240 0.000 0.999 626 V HN 0.437 nan 8.190 nan 0.000 0.426 627 N N 1.925 120.573 118.700 -0.087 0.000 2.284 627 N HA 0.378 5.118 4.740 -0.000 0.000 0.300 627 N C -0.296 175.192 175.510 -0.038 0.000 1.047 627 N CA -0.529 52.299 53.050 -0.370 0.000 0.821 627 N CB 1.443 39.392 38.487 -0.895 0.000 1.337 627 N HN 0.765 nan 8.380 nan 0.000 0.482 628 E N 0.874 121.058 120.200 -0.026 0.000 2.228 628 E HA -0.267 4.083 4.350 -0.000 0.000 0.213 628 E C -0.091 176.816 176.600 0.512 0.000 1.282 628 E CA 0.585 57.178 56.400 0.322 0.000 0.707 628 E CB -1.570 28.504 29.700 0.622 0.000 1.150 628 E HN 0.563 nan 8.360 nan 0.000 0.362 629 A N -0.188 123.002 122.820 0.616 0.000 2.208 629 A HA 0.189 4.509 4.320 -0.000 0.000 0.209 629 A C 0.347 178.106 177.584 0.291 0.000 1.161 629 A CA 0.424 52.822 52.037 0.600 0.000 0.782 629 A CB 0.182 19.544 19.000 0.605 0.000 0.816 629 A HN 0.237 nan 8.150 nan 0.000 0.477 630 F N -0.666 119.414 119.950 0.217 0.000 2.458 630 F HA 0.505 5.032 4.527 -0.000 0.000 0.330 630 F C 0.963 176.786 175.800 0.040 0.000 1.082 630 F CA -0.798 57.260 58.000 0.098 0.000 0.995 630 F CB 1.536 40.570 39.000 0.056 0.000 1.170 630 F HN -0.054 nan 8.300 nan 0.000 0.478 631 S N 0.503 116.288 115.700 0.142 0.000 2.593 631 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 631 S C 0.481 175.147 174.600 0.110 0.000 1.334 631 S CA -0.463 57.790 58.200 0.089 0.000 1.015 631 S CB 0.473 63.700 63.200 0.044 0.000 0.912 631 S HN 0.634 nan 8.310 nan 0.000 0.541 632 D N 0.883 121.346 120.400 0.106 0.000 2.379 632 D HA 0.042 4.682 4.640 -0.000 0.000 0.208 632 D C 1.038 177.387 176.300 0.081 0.000 1.065 632 D CA 0.320 54.400 54.000 0.133 0.000 0.848 632 D CB -0.042 40.885 40.800 0.211 0.000 0.949 632 D HN 0.774 nan 8.370 nan 0.000 0.509 633 D N 0.494 120.925 120.400 0.053 0.000 2.315 633 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 633 D C 1.601 177.890 176.300 -0.018 0.000 0.977 633 D CA 1.423 55.433 54.000 0.018 0.000 0.894 633 D CB -0.373 40.434 40.800 0.012 0.000 0.910 633 D HN 0.228 nan 8.370 nan 0.000 0.490 634 G N -1.024 107.766 108.800 -0.016 0.000 2.163 634 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.213 634 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.213 634 G C 1.062 175.935 174.900 -0.045 0.000 0.991 634 G CA 0.745 45.802 45.100 -0.073 0.000 0.653 634 G HN 0.736 nan 8.290 nan 0.000 0.518 635 S N -0.576 115.122 115.700 -0.003 0.000 2.486 635 S HA 0.432 4.902 4.470 -0.000 0.000 0.220 635 S C 2.185 176.808 174.600 0.038 0.000 1.011 635 S CA 1.464 59.668 58.200 0.007 0.000 0.921 635 S CB 0.376 63.582 63.200 0.010 0.000 0.785 635 S HN 2.307 nan 8.310 nan 0.000 0.517 636 G N 0.727 109.576 108.800 0.081 0.000 2.136 636 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.242 636 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.242 636 G C 0.409 175.461 174.900 0.254 0.000 0.989 636 G CA -0.007 45.186 45.100 0.155 0.000 0.682 636 G HN 1.035 nan 8.290 nan 0.000 0.522 637 G N -0.950 107.933 108.800 0.140 0.000 2.537 637 G HA2 0.606 4.566 3.960 -0.000 0.000 0.297 637 G HA3 0.606 4.566 3.960 -0.000 0.000 0.297 637 G C 0.220 175.038 174.900 -0.137 0.000 1.310 637 G CA -0.824 44.298 45.100 0.037 0.000 1.027 637 G HN 0.319 nan 8.290 nan 0.000 0.505 638 R N -0.070 120.256 120.500 -0.290 0.000 2.539 638 R HA 0.168 4.508 4.340 -0.000 0.000 0.275 638 R C 0.630 176.834 176.300 -0.160 0.000 1.077 638 R CA -0.464 55.388 56.100 -0.413 0.000 1.097 638 R CB 0.741 30.886 30.300 -0.258 0.000 1.018 638 R HN 0.614 nan 8.270 nan 0.000 0.483 639 R N 1.406 121.842 120.500 -0.107 0.000 2.491 639 R HA -0.058 4.282 4.340 -0.000 0.000 0.283 639 R C -0.569 175.692 176.300 -0.065 0.000 1.072 639 R CA -0.105 55.959 56.100 -0.061 0.000 1.048 639 R CB 0.371 30.624 30.300 -0.078 0.000 0.983 639 R HN 0.432 nan 8.270 nan 0.000 0.450 640 D N 2.901 123.259 120.400 -0.070 0.000 2.435 640 D HA 0.068 4.708 4.640 -0.000 0.000 0.230 640 D C -0.859 175.385 176.300 -0.094 0.000 1.215 640 D CA 0.083 54.042 54.000 -0.067 0.000 0.947 640 D CB 0.398 41.169 40.800 -0.048 0.000 1.048 640 D HN 0.531 nan 8.370 nan 0.000 0.512 641 S N 2.371 118.000 115.700 -0.119 0.000 2.709 641 S HA 0.320 4.790 4.470 -0.000 0.000 0.302 641 S C 1.242 175.736 174.600 -0.177 0.000 1.127 641 S CA -0.813 57.303 58.200 -0.141 0.000 0.905 641 S CB 1.094 64.205 63.200 -0.147 0.000 1.151 641 S HN 0.329 nan 8.310 nan 0.000 0.510 642 N N 1.028 119.620 118.700 -0.179 0.000 2.223 642 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 642 N C 1.557 176.893 175.510 -0.291 0.000 1.016 642 N CA 1.399 54.335 53.050 -0.191 0.000 0.863 642 N CB -1.072 37.315 38.487 -0.168 0.000 0.983 642 N HN 0.650 nan 8.380 nan 0.000 0.429 643 L N -0.179 120.770 121.223 -0.456 0.000 2.027 643 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 643 L C 2.807 179.069 176.870 -1.013 0.000 1.074 643 L CA 1.469 55.806 54.840 -0.839 0.000 0.745 643 L CB -0.554 40.686 42.059 -1.365 0.000 0.898 643 L HN 0.224 nan 8.230 nan 0.000 0.433 644 Q N 0.595 119.939 119.800 -0.760 0.000 2.170 644 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 644 Q C 2.110 178.043 176.000 -0.113 0.000 0.976 644 Q CA 1.520 57.156 55.803 -0.280 0.000 0.858 644 Q CB -0.059 28.677 28.738 -0.003 0.000 0.907 644 Q HN 0.298 nan 8.270 nan 0.000 0.433 645 R N -0.521 119.890 120.500 -0.149 0.000 2.280 645 R HA -0.020 4.320 4.340 -0.000 0.000 0.207 645 R C 1.959 178.226 176.300 -0.055 0.000 1.043 645 R CA 1.332 57.386 56.100 -0.077 0.000 1.006 645 R CB -0.239 30.013 30.300 -0.081 0.000 0.885 645 R HN 0.471 nan 8.270 nan 0.000 0.467 646 T N -2.515 111.989 114.554 -0.084 0.000 3.085 646 T HA 0.166 4.516 4.350 -0.000 0.000 0.263 646 T C 0.837 175.563 174.700 0.044 0.000 1.127 646 T CA 0.530 62.614 62.100 -0.027 0.000 1.103 646 T CB 0.513 69.358 68.868 -0.039 0.000 0.921 646 T HN 0.324 nan 8.240 nan 0.000 0.510 647 G N 0.642 109.490 108.800 0.081 0.000 2.351 647 G HA2 0.036 3.996 3.960 -0.000 0.000 0.472 647 G HA3 0.036 3.996 3.960 -0.000 0.000 0.472 647 G C -0.134 174.927 174.900 0.268 0.000 1.570 647 G CA -0.284 44.900 45.100 0.139 0.000 0.921 647 G HN 0.090 nan 8.290 nan 0.000 0.674 648 N N 0.325 119.148 118.700 0.204 0.000 2.348 648 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 648 N C 1.805 177.427 175.510 0.187 0.000 1.019 648 N CA 2.035 55.212 53.050 0.211 0.000 0.880 648 N CB 0.173 38.725 38.487 0.108 0.000 0.965 648 N HN 0.642 nan 8.380 nan 0.000 0.437 649 D N -0.377 120.129 120.400 0.176 0.000 2.336 649 D HA -0.124 4.516 4.640 -0.000 0.000 0.229 649 D C 1.715 178.110 176.300 0.158 0.000 1.061 649 D CA -0.051 54.021 54.000 0.121 0.000 0.875 649 D CB -0.953 39.902 40.800 0.092 0.000 0.904 649 D HN 0.587 nan 8.370 nan 0.000 0.525 650 W N 1.420 122.776 121.300 0.092 0.000 2.358 650 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 650 W C 1.508 178.122 176.519 0.158 0.000 1.208 650 W CA 0.183 57.589 57.345 0.103 0.000 1.274 650 W CB -1.038 28.476 29.460 0.090 0.000 1.138 650 W HN -0.089 nan 8.180 nan 0.000 0.515 651 I N 1.414 121.609 120.570 -0.625 0.000 2.179 651 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 651 I C 2.807 178.975 176.117 0.086 0.000 1.088 651 I CA 2.247 63.279 61.300 -0.447 0.000 1.357 651 I CB -0.801 36.965 38.000 -0.391 0.000 1.051 651 I HN 0.033 nan 8.210 nan 0.000 0.409 652 E N 1.098 121.290 120.200 -0.013 0.000 2.058 652 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 652 E C 2.317 178.880 176.600 -0.063 0.000 0.997 652 E CA 1.709 57.955 56.400 -0.257 0.000 0.801 652 E CB 0.105 29.611 29.700 -0.324 0.000 0.746 652 E HN 0.264 nan 8.360 nan 0.000 0.450 653 V N 1.202 121.127 119.914 0.017 0.000 2.343 653 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 653 V C 2.467 178.604 176.094 0.070 0.000 1.051 653 V CA 1.797 64.130 62.300 0.055 0.000 1.036 653 V CB -0.794 31.093 31.823 0.106 0.000 0.654 653 V HN 0.460 nan 8.190 nan 0.000 0.451 654 A N -0.583 122.294 122.820 0.095 0.000 1.908 654 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 654 A C 2.042 179.573 177.584 -0.088 0.000 1.181 654 A CA 1.928 53.980 52.037 0.025 0.000 0.627 654 A CB -0.703 18.311 19.000 0.023 0.000 0.818 654 A HN 0.478 nan 8.150 nan 0.000 0.445 655 F N -0.323 119.621 119.950 -0.011 0.000 2.163 655 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 655 F C 2.597 178.373 175.800 -0.041 0.000 1.094 655 F CA 1.558 59.548 58.000 -0.016 0.000 1.290 655 F CB -0.218 38.757 39.000 -0.040 0.000 1.017 655 F HN 0.089 nan 8.300 nan 0.000 0.483 656 R N -0.519 120.038 120.500 0.096 0.000 2.081 656 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 656 R C 2.092 178.404 176.300 0.019 0.000 1.131 656 R CA 1.897 58.018 56.100 0.035 0.000 0.960 656 R CB -0.985 29.315 30.300 -0.001 0.000 0.856 656 R HN 0.208 nan 8.270 nan 0.000 0.436 657 T N 0.955 115.514 114.554 0.008 0.000 2.708 657 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 657 T C 1.966 176.641 174.700 -0.042 0.000 1.037 657 T CA 1.486 63.580 62.100 -0.011 0.000 1.146 657 T CB -0.277 68.587 68.868 -0.006 0.000 0.865 657 T HN 0.386 nan 8.240 nan 0.000 0.435 658 A N 1.847 124.626 122.820 -0.070 0.000 1.877 658 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 658 A C 2.251 179.813 177.584 -0.037 0.000 1.186 658 A CA 2.123 54.095 52.037 -0.108 0.000 0.620 658 A CB -0.605 18.291 19.000 -0.172 0.000 0.822 658 A HN 0.356 nan 8.150 nan 0.000 0.443 659 R N 0.244 120.757 120.500 0.022 0.000 2.091 659 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 659 R C 2.101 178.413 176.300 0.019 0.000 1.136 659 R CA 2.162 58.290 56.100 0.046 0.000 0.959 659 R CB -0.858 29.481 30.300 0.064 0.000 0.856 659 R HN 0.403 nan 8.270 nan 0.000 0.437 660 A N 0.062 122.884 122.820 0.004 0.000 1.898 660 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 660 A C 2.380 179.952 177.584 -0.019 0.000 1.181 660 A CA 1.611 53.645 52.037 -0.005 0.000 0.620 660 A CB -1.007 17.988 19.000 -0.007 0.000 0.819 660 A HN 0.504 nan 8.150 nan 0.000 0.442 661 A N -1.340 121.456 122.820 -0.041 0.000 1.933 661 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 661 A C 0.951 178.507 177.584 -0.047 0.000 1.175 661 A CA 1.792 53.790 52.037 -0.065 0.000 0.628 661 A CB -0.083 18.848 19.000 -0.115 0.000 0.814 661 A HN 0.418 nan 8.150 nan 0.000 0.444 662 D N -2.487 117.901 120.400 -0.021 0.000 2.584 662 D HA 0.176 4.816 4.640 -0.000 0.000 0.238 662 D C -2.411 173.921 176.300 0.053 0.000 1.302 662 D CA -1.155 52.859 54.000 0.023 0.000 0.884 662 D CB 0.987 41.823 40.800 0.059 0.000 1.456 662 D HN 0.020 nan 8.370 nan 0.000 0.528 663 P HA -0.029 nan 4.420 nan 0.000 0.231 663 P C 0.938 178.278 177.300 0.067 0.000 1.158 663 P CA 0.383 63.515 63.100 0.053 0.000 0.763 663 P CB 0.365 32.087 31.700 0.036 0.000 0.805 664 A N -0.318 122.545 122.820 0.073 0.000 2.132 664 A HA 0.396 4.716 4.320 -0.000 0.000 0.213 664 A C 1.440 179.085 177.584 0.101 0.000 1.154 664 A CA 0.394 52.476 52.037 0.076 0.000 0.753 664 A CB -0.576 18.462 19.000 0.064 0.000 0.826 664 A HN 0.293 nan 8.150 nan 0.000 0.469 665 A N 0.346 123.251 122.820 0.142 0.000 2.340 665 A HA 0.516 4.836 4.320 -0.000 0.000 0.268 665 A C 0.026 177.717 177.584 0.179 0.000 1.100 665 A CA -0.473 51.675 52.037 0.187 0.000 0.803 665 A CB 0.195 19.405 19.000 0.350 0.000 1.043 665 A HN 0.364 nan 8.150 nan 0.000 0.488 666 K N 1.518 122.016 120.400 0.164 0.000 2.297 666 K HA 0.355 4.675 4.320 -0.000 0.000 0.286 666 K C -1.018 175.719 176.600 0.229 0.000 1.053 666 K CA 0.169 56.557 56.287 0.168 0.000 0.940 666 K CB 0.594 33.176 32.500 0.137 0.000 1.019 666 K HN 0.564 nan 8.250 nan 0.000 0.475 667 L N 4.245 125.628 121.223 0.267 0.000 2.257 667 L HA 0.309 4.649 4.340 -0.000 0.000 0.290 667 L C -0.342 176.805 176.870 0.462 0.000 1.044 667 L CA -0.872 54.190 54.840 0.370 0.000 0.810 667 L CB 0.731 43.061 42.059 0.452 0.000 1.193 667 L HN 0.645 nan 8.230 nan 0.000 0.425 668 c N 2.118 120.960 118.600 0.404 0.000 2.454 668 c HA 0.455 5.025 4.570 -0.000 0.000 0.336 668 c C -0.162 174.205 174.090 0.462 0.000 1.189 668 c CA -0.869 55.671 56.329 0.353 0.000 1.877 668 c CB 1.391 44.007 42.510 0.177 0.000 2.348 668 c HN 0.628 nan 8.230 nan 0.000 0.508 669 Y N 2.533 122.999 120.300 0.278 0.000 2.331 669 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 669 Y C -0.221 175.668 175.900 -0.019 0.000 0.976 669 Y CA -0.250 57.994 58.100 0.240 0.000 1.137 669 Y CB 0.474 38.997 38.460 0.105 0.000 1.172 669 Y HN 0.786 nan 8.280 nan 0.000 0.478 670 N N 4.241 122.476 118.700 -0.775 0.000 2.321 670 N HA 0.440 5.180 4.740 -0.000 0.000 0.299 670 N C -1.990 173.093 175.510 -0.711 0.000 1.048 670 N CA -0.285 52.409 53.050 -0.594 0.000 0.836 670 N CB 1.251 39.536 38.487 -0.336 0.000 1.269 670 N HN 0.767 nan 8.380 nan 0.000 0.486 671 D N 0.243 120.373 120.400 -0.452 0.000 2.653 671 D HA 0.211 4.851 4.640 -0.000 0.000 0.258 671 D C -1.457 174.760 176.300 -0.138 0.000 1.252 671 D CA -0.302 53.544 54.000 -0.256 0.000 0.777 671 D CB 0.870 41.569 40.800 -0.169 0.000 1.339 671 D HN 0.421 nan 8.370 nan 0.000 0.422 672 Y N -0.279 119.975 120.300 -0.076 0.000 2.602 672 Y HA 0.531 5.081 4.550 -0.000 0.000 0.330 672 Y C 0.718 176.604 175.900 -0.023 0.000 1.114 672 Y CA -0.861 57.198 58.100 -0.068 0.000 1.182 672 Y CB 0.587 39.061 38.460 0.023 0.000 1.305 672 Y HN 0.591 nan 8.280 nan 0.000 0.502 673 N N 0.596 119.295 118.700 -0.002 0.000 2.747 673 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 673 N C -0.245 175.186 175.510 -0.131 0.000 1.107 673 N CA 0.910 53.882 53.050 -0.130 0.000 0.707 673 N CB -1.043 37.492 38.487 0.081 0.000 1.054 673 N HN 0.795 nan 8.380 nan 0.000 0.555 674 I N -3.868 116.656 120.570 -0.077 0.000 3.833 674 I HA 0.298 4.468 4.170 -0.000 0.000 0.328 674 I C 0.637 176.904 176.117 0.250 0.000 1.554 674 I CA -0.457 60.872 61.300 0.049 0.000 1.116 674 I CB 0.564 38.555 38.000 -0.015 0.000 1.182 674 I HN -0.140 nan 8.210 nan 0.000 0.459 675 E N 1.063 121.315 120.200 0.087 0.000 2.166 675 E HA 0.088 4.438 4.350 -0.000 0.000 0.192 675 E C 0.727 177.438 176.600 0.184 0.000 0.967 675 E CA 0.292 56.792 56.400 0.168 0.000 0.840 675 E CB 0.087 29.631 29.700 -0.259 0.000 0.795 675 E HN 0.354 nan 8.360 nan 0.000 0.470 676 N N 0.891 119.533 118.700 -0.097 0.000 2.411 676 N HA -0.076 4.664 4.740 -0.000 0.000 0.259 676 N C 0.170 175.756 175.510 0.126 0.000 1.103 676 N CA -0.058 52.951 53.050 -0.070 0.000 0.954 676 N CB 0.314 38.557 38.487 -0.406 0.000 1.085 676 N HN 0.267 nan 8.380 nan 0.000 0.485 677 W N 3.753 125.116 121.300 0.104 0.000 2.350 677 W HA -0.211 4.449 4.660 -0.000 0.000 0.289 677 W C 1.318 177.926 176.519 0.148 0.000 1.215 677 W CA 2.103 59.520 57.345 0.120 0.000 1.236 677 W CB -0.151 29.340 29.460 0.052 0.000 1.130 677 W HN 0.637 nan 8.180 nan 0.000 0.541 678 T N -2.624 112.026 114.554 0.160 0.000 3.051 678 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 678 T C 0.265 175.047 174.700 0.136 0.000 1.127 678 T CA 0.239 62.413 62.100 0.123 0.000 1.107 678 T CB -0.689 68.303 68.868 0.208 0.000 0.898 678 T HN -0.038 nan 8.240 nan 0.000 0.517 679 W N 1.274 122.492 121.300 -0.137 0.000 2.238 679 W HA 0.701 5.361 4.660 -0.000 0.000 0.321 679 W C 1.521 177.933 176.519 -0.178 0.000 1.293 679 W CA -1.071 56.209 57.345 -0.108 0.000 1.204 679 W CB 0.450 29.882 29.460 -0.046 0.000 1.167 679 W HN 0.166 nan 8.180 nan 0.000 0.553 680 A N 3.286 126.115 122.820 0.015 0.000 1.978 680 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 680 A C 2.053 179.636 177.584 -0.001 0.000 1.170 680 A CA 1.812 53.827 52.037 -0.036 0.000 0.636 680 A CB -0.470 18.510 19.000 -0.035 0.000 0.810 680 A HN 0.727 nan 8.150 nan 0.000 0.448 681 K N -0.801 119.651 120.400 0.086 0.000 2.032 681 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 681 K C 2.048 178.619 176.600 -0.048 0.000 1.048 681 K CA 1.909 58.243 56.287 0.077 0.000 0.927 681 K CB -0.365 32.223 32.500 0.146 0.000 0.712 681 K HN 0.468 nan 8.250 nan 0.000 0.441 682 T N 1.171 115.715 114.554 -0.016 0.000 2.665 682 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 682 T C 1.818 176.428 174.700 -0.150 0.000 1.035 682 T CA 1.638 63.716 62.100 -0.035 0.000 1.151 682 T CB -0.207 68.629 68.868 -0.053 0.000 0.862 682 T HN 0.386 nan 8.240 nan 0.000 0.438 683 Q N 0.035 119.622 119.800 -0.355 0.000 2.224 683 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 683 Q C 2.674 178.598 176.000 -0.126 0.000 0.970 683 Q CA 1.047 56.637 55.803 -0.356 0.000 0.865 683 Q CB -0.310 28.187 28.738 -0.402 0.000 0.922 683 Q HN 0.617 nan 8.270 nan 0.000 0.445 684 G N -0.122 108.589 108.800 -0.148 0.000 2.404 684 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 684 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 684 G C 1.442 176.028 174.900 -0.523 0.000 1.174 684 G CA 0.668 45.694 45.100 -0.125 0.000 0.780 684 G HN 0.209 nan 8.290 nan 0.000 0.537 685 V N -0.047 119.351 119.914 -0.860 0.000 2.407 685 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 685 V C 2.258 178.184 176.094 -0.280 0.000 1.055 685 V CA 1.710 63.469 62.300 -0.900 0.000 1.049 685 V CB -0.691 30.785 31.823 -0.578 0.000 0.662 685 V HN 0.479 nan 8.190 nan 0.000 0.455 686 Y N 2.083 122.301 120.300 -0.136 0.000 2.097 686 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 686 Y C 2.568 178.315 175.900 -0.255 0.000 1.152 686 Y CA 2.150 60.075 58.100 -0.291 0.000 1.136 686 Y CB -0.377 37.883 38.460 -0.334 0.000 0.975 686 Y HN 0.283 nan 8.280 nan 0.000 0.498 687 N N 0.210 118.854 118.700 -0.093 0.000 2.205 687 N HA -0.247 4.493 4.740 -0.000 0.000 0.186 687 N C 2.006 177.365 175.510 -0.252 0.000 1.015 687 N CA 1.817 54.791 53.050 -0.125 0.000 0.862 687 N CB -0.545 37.943 38.487 0.001 0.000 0.986 687 N HN 0.558 nan 8.380 nan 0.000 0.429 688 M N 0.528 119.929 119.600 -0.331 0.000 2.077 688 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 688 M C 1.692 177.500 176.300 -0.820 0.000 1.070 688 M CA 1.299 56.283 55.300 -0.527 0.000 1.125 688 M CB -0.032 32.230 32.600 -0.563 0.000 1.339 688 M HN -0.140 nan 8.290 nan 0.000 0.409 689 V N 0.928 120.412 119.914 -0.717 0.000 2.392 689 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 689 V C 2.545 178.410 176.094 -0.382 0.000 1.059 689 V CA 2.297 64.261 62.300 -0.560 0.000 1.051 689 V CB -1.118 30.534 31.823 -0.286 0.000 0.658 689 V HN 0.568 nan 8.190 nan 0.000 0.455 690 R N 0.310 120.530 120.500 -0.468 0.000 2.081 690 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 690 R C 2.132 178.331 176.300 -0.167 0.000 1.131 690 R CA 2.218 58.100 56.100 -0.363 0.000 0.960 690 R CB -0.440 29.581 30.300 -0.465 0.000 0.856 690 R HN 0.617 nan 8.270 nan 0.000 0.436 691 D N -0.436 119.879 120.400 -0.141 0.000 2.117 691 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 691 D C 1.600 177.992 176.300 0.154 0.000 0.987 691 D CA 1.206 55.209 54.000 0.006 0.000 0.829 691 D CB -0.066 40.751 40.800 0.029 0.000 0.961 691 D HN 0.168 nan 8.370 nan 0.000 0.460 692 F N 1.116 120.977 119.950 -0.148 0.000 2.102 692 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 692 F C 2.320 178.047 175.800 -0.122 0.000 1.105 692 F CA 0.937 58.846 58.000 -0.152 0.000 1.239 692 F CB -0.740 38.119 39.000 -0.234 0.000 0.991 692 F HN -0.006 nan 8.300 nan 0.000 0.474 693 K N 0.363 120.811 120.400 0.080 0.000 2.148 693 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 693 K C 1.940 178.542 176.600 0.004 0.000 1.050 693 K CA 0.998 57.294 56.287 0.015 0.000 0.942 693 K CB -0.750 31.735 32.500 -0.024 0.000 0.724 693 K HN 0.441 nan 8.250 nan 0.000 0.446 694 Q N 0.166 119.968 119.800 0.002 0.000 2.172 694 Q HA -0.020 4.320 4.340 -0.000 0.000 0.200 694 Q C 1.833 177.836 176.000 0.004 0.000 0.964 694 Q CA 1.033 56.836 55.803 -0.001 0.000 0.855 694 Q CB 0.055 28.790 28.738 -0.006 0.000 0.918 694 Q HN 0.248 nan 8.270 nan 0.000 0.444 695 R N -1.020 119.486 120.500 0.010 0.000 2.300 695 R HA 0.117 4.457 4.340 -0.000 0.000 0.199 695 R C 0.755 177.041 176.300 -0.024 0.000 0.920 695 R CA 0.585 56.682 56.100 -0.005 0.000 1.046 695 R CB 0.792 31.090 30.300 -0.003 0.000 0.984 695 R HN 0.323 nan 8.270 nan 0.000 0.493 696 G N 1.018 109.803 108.800 -0.024 0.000 2.131 696 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.223 696 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.223 696 G C 0.054 174.912 174.900 -0.070 0.000 0.990 696 G CA -0.236 44.844 45.100 -0.033 0.000 0.671 696 G HN 0.098 nan 8.290 nan 0.000 0.521 697 V N 1.560 121.397 119.914 -0.127 0.000 2.521 697 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 697 V C -1.411 174.586 176.094 -0.162 0.000 1.034 697 V CA -1.041 61.099 62.300 -0.266 0.000 1.045 697 V CB 1.096 32.489 31.823 -0.717 0.000 0.974 697 V HN 0.170 nan 8.190 nan 0.000 0.480 698 P HA 0.349 nan 4.420 nan 0.000 0.264 698 P C -0.540 176.788 177.300 0.047 0.000 1.229 698 P CA 0.390 63.503 63.100 0.021 0.000 0.780 698 P CB 0.257 32.005 31.700 0.081 0.000 0.808 699 I N 2.551 123.133 120.570 0.021 0.000 2.685 699 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 699 I C -0.453 175.708 176.117 0.072 0.000 1.292 699 I CA -0.364 60.931 61.300 -0.009 0.000 1.050 699 I CB 2.137 39.980 38.000 -0.262 0.000 1.301 699 I HN 0.129 nan 8.210 nan 0.000 0.425 700 D N 5.514 126.001 120.400 0.144 0.000 2.454 700 D HA 0.169 4.809 4.640 -0.000 0.000 0.214 700 D C 0.072 176.452 176.300 0.133 0.000 1.088 700 D CA 0.439 54.516 54.000 0.129 0.000 0.855 700 D CB 0.992 41.878 40.800 0.142 0.000 1.025 700 D HN 0.441 nan 8.370 nan 0.000 0.502 701 c N 0.022 118.715 118.600 0.155 0.000 3.285 701 c HA 0.650 5.220 4.570 -0.000 0.000 0.325 701 c C -1.690 172.475 174.090 0.125 0.000 1.304 701 c CA -0.486 55.931 56.329 0.146 0.000 1.319 701 c CB 1.269 43.869 42.510 0.151 0.000 1.640 701 c HN -0.097 nan 8.230 nan 0.000 0.477 702 V N 3.180 123.134 119.914 0.066 0.000 2.483 702 V HA 0.731 4.851 4.120 -0.000 0.000 0.297 702 V C 0.808 176.764 176.094 -0.231 0.000 1.027 702 V CA 0.400 62.627 62.300 -0.122 0.000 0.855 702 V CB 1.578 33.198 31.823 -0.337 0.000 0.995 702 V HN 1.283 nan 8.190 nan 0.000 0.424 703 G N 3.506 112.136 108.800 -0.284 0.000 2.322 703 G HA2 0.601 4.561 3.960 -0.000 0.000 0.309 703 G HA3 0.601 4.561 3.960 -0.000 0.000 0.309 703 G C -1.016 173.621 174.900 -0.438 0.000 1.121 703 G CA -0.231 44.737 45.100 -0.220 0.000 0.886 703 G HN 0.455 nan 8.290 nan 0.000 0.447 704 F N 1.556 121.443 119.950 -0.106 0.000 2.308 704 F HA 0.275 4.802 4.527 -0.000 0.000 0.370 704 F C 1.711 177.388 175.800 -0.205 0.000 1.100 704 F CA -0.572 57.363 58.000 -0.108 0.000 1.108 704 F CB 1.776 40.823 39.000 0.079 0.000 1.293 704 F HN 0.549 nan 8.300 nan 0.000 0.478 705 Q N 1.294 120.976 119.800 -0.197 0.000 2.133 705 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 705 Q C 0.729 176.384 176.000 -0.574 0.000 0.991 705 Q CA 1.714 57.269 55.803 -0.413 0.000 0.867 705 Q CB -0.163 28.364 28.738 -0.352 0.000 0.911 705 Q HN 0.759 nan 8.270 nan 0.000 0.417 706 S N 0.196 115.556 115.700 -0.566 0.000 3.797 706 S HA -0.120 4.349 4.470 -0.000 0.000 0.374 706 S C -0.795 173.186 174.600 -1.032 0.000 0.970 706 S CA 0.095 57.686 58.200 -1.015 0.000 1.177 706 S CB -1.507 61.331 63.200 -0.603 0.000 0.891 706 S HN 0.399 nan 8.310 nan 0.000 0.491 707 H N 0.649 119.357 119.070 -0.604 0.000 2.908 707 H HA 0.345 4.900 4.556 -0.000 0.000 0.269 707 H C -0.046 175.098 175.328 -0.307 0.000 1.303 707 H CA -0.219 55.665 56.048 -0.274 0.000 1.341 707 H CB -0.196 29.540 29.762 -0.044 0.000 1.519 707 H HN 0.282 nan 8.280 nan 0.000 0.505 708 F N 3.199 123.174 119.950 0.041 0.000 2.404 708 F HA 0.179 4.706 4.527 -0.000 0.000 0.345 708 F C 0.756 176.563 175.800 0.012 0.000 1.110 708 F CA -0.672 57.320 58.000 -0.014 0.000 1.130 708 F CB 0.890 39.846 39.000 -0.073 0.000 1.129 708 F HN 0.528 nan 8.300 nan 0.000 0.500 709 N N -1.850 116.982 118.700 0.219 0.000 3.039 709 N HA 0.233 4.973 4.740 -0.000 0.000 0.257 709 N C 0.082 175.664 175.510 0.120 0.000 1.497 709 N CA -0.466 52.661 53.050 0.128 0.000 0.861 709 N CB 0.542 39.074 38.487 0.077 0.000 1.479 709 N HN 0.198 nan 8.380 nan 0.000 0.547 710 S N -2.314 113.439 115.700 0.088 0.000 2.500 710 S HA 0.011 4.481 4.470 -0.000 0.000 0.239 710 S C 1.562 176.230 174.600 0.114 0.000 0.989 710 S CA 0.949 59.202 58.200 0.088 0.000 0.951 710 S CB -1.122 62.116 63.200 0.064 0.000 0.759 710 S HN 0.774 nan 8.310 nan 0.000 0.523 711 G N 0.642 109.517 108.800 0.126 0.000 2.396 711 G HA2 0.161 4.120 3.960 -0.000 0.000 0.214 711 G HA3 0.161 4.120 3.960 -0.000 0.000 0.214 711 G C 0.524 175.582 174.900 0.262 0.000 1.166 711 G CA 0.329 45.529 45.100 0.168 0.000 0.793 711 G HN 0.558 nan 8.290 nan 0.000 0.533 712 S N 2.153 117.983 115.700 0.218 0.000 2.158 712 S HA 0.388 4.858 4.470 -0.000 0.000 0.160 712 S C -2.723 171.968 174.600 0.152 0.000 1.693 712 S CA -0.821 57.476 58.200 0.162 0.000 1.251 712 S CB 2.210 65.436 63.200 0.043 0.000 1.153 712 S HN 0.195 nan 8.310 nan 0.000 0.439 713 P HA 0.082 nan 4.420 nan 0.000 0.272 713 P C -0.466 176.810 177.300 -0.040 0.000 1.230 713 P CA -0.396 62.755 63.100 0.085 0.000 0.788 713 P CB 0.551 32.290 31.700 0.064 0.000 0.949 714 Y N 2.470 122.523 120.300 -0.411 0.000 2.480 714 Y HA 0.199 4.749 4.550 -0.000 0.000 0.338 714 Y C 0.057 175.732 175.900 -0.373 0.000 1.220 714 Y CA 0.333 57.908 58.100 -0.875 0.000 1.430 714 Y CB 0.340 38.105 38.460 -1.159 0.000 1.311 714 Y HN 0.359 nan 8.280 nan 0.000 0.575 715 N N 2.237 120.137 118.700 -1.334 0.000 2.260 715 N HA 0.076 4.816 4.740 -0.000 0.000 0.293 715 N C 0.191 175.060 175.510 -1.069 0.000 1.058 715 N CA 0.208 52.743 53.050 -0.857 0.000 0.824 715 N CB 2.075 40.355 38.487 -0.345 0.000 1.551 715 N HN 0.815 nan 8.380 nan 0.000 0.475 716 S N 2.466 117.831 115.700 -0.560 0.000 2.440 716 S HA -0.242 4.228 4.470 -0.000 0.000 0.240 716 S C 1.203 175.742 174.600 -0.101 0.000 1.014 716 S CA 1.534 59.611 58.200 -0.204 0.000 0.980 716 S CB -0.575 62.614 63.200 -0.019 0.000 0.775 716 S HN 0.785 nan 8.310 nan 0.000 0.499 717 N N 0.979 119.621 118.700 -0.098 0.000 2.571 717 N HA -0.050 4.690 4.740 -0.000 0.000 0.189 717 N C 0.982 176.540 175.510 0.081 0.000 1.154 717 N CA 0.376 53.428 53.050 0.005 0.000 0.907 717 N CB -0.978 37.547 38.487 0.063 0.000 0.977 717 N HN 0.436 nan 8.380 nan 0.000 0.449 718 F N 1.607 121.470 119.950 -0.144 0.000 2.216 718 F HA 0.038 4.565 4.527 -0.000 0.000 0.300 718 F C 2.255 178.027 175.800 -0.048 0.000 1.085 718 F CA 0.810 58.768 58.000 -0.069 0.000 1.326 718 F CB -0.276 38.706 39.000 -0.030 0.000 1.027 718 F HN 0.105 nan 8.300 nan 0.000 0.497 719 R N -0.121 120.322 120.500 -0.094 0.000 2.092 719 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 719 R C 2.355 178.534 176.300 -0.201 0.000 1.119 719 R CA 1.993 57.964 56.100 -0.215 0.000 0.970 719 R CB -0.576 29.669 30.300 -0.092 0.000 0.864 719 R HN 0.470 nan 8.270 nan 0.000 0.440 720 T N -2.410 112.063 114.554 -0.134 0.000 2.821 720 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 720 T C 1.846 176.431 174.700 -0.192 0.000 1.046 720 T CA 1.731 63.718 62.100 -0.188 0.000 1.139 720 T CB -0.523 68.211 68.868 -0.224 0.000 0.871 720 T HN 0.158 nan 8.240 nan 0.000 0.454 721 T N 2.506 117.044 114.554 -0.026 0.000 2.684 721 T HA 0.043 4.393 4.350 -0.000 0.000 0.267 721 T C 1.884 176.656 174.700 0.120 0.000 1.036 721 T CA 1.529 63.773 62.100 0.239 0.000 1.148 721 T CB -0.548 68.572 68.868 0.420 0.000 0.863 721 T HN 0.322 nan 8.240 nan 0.000 0.436 722 L N 0.616 121.668 121.223 -0.284 0.000 2.046 722 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 722 L C 2.906 179.729 176.870 -0.078 0.000 1.077 722 L CA 1.417 56.048 54.840 -0.348 0.000 0.747 722 L CB -0.634 41.061 42.059 -0.606 0.000 0.896 722 L HN 0.345 nan 8.230 nan 0.000 0.432 723 Q N -0.209 119.521 119.800 -0.117 0.000 2.050 723 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 723 Q C 2.061 178.037 176.000 -0.041 0.000 0.980 723 Q CA 1.486 57.238 55.803 -0.084 0.000 0.840 723 Q CB -0.204 28.456 28.738 -0.130 0.000 0.898 723 Q HN 0.490 nan 8.270 nan 0.000 0.424 724 N N 0.417 119.060 118.700 -0.096 0.000 2.043 724 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 724 N C 1.579 177.164 175.510 0.126 0.000 1.037 724 N CA 1.331 54.300 53.050 -0.136 0.000 0.851 724 N CB -0.485 37.673 38.487 -0.549 0.000 1.027 724 N HN 0.167 nan 8.380 nan 0.000 0.422 725 F N 1.346 121.445 119.950 0.249 0.000 2.134 725 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 725 F C 2.430 178.319 175.800 0.148 0.000 1.097 725 F CA 1.028 59.204 58.000 0.293 0.000 1.264 725 F CB -0.692 38.550 39.000 0.403 0.000 1.001 725 F HN 0.018 nan 8.300 nan 0.000 0.479 726 A N 0.194 123.175 122.820 0.270 0.000 1.917 726 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 726 A C 2.349 179.988 177.584 0.092 0.000 1.182 726 A CA 1.933 54.056 52.037 0.143 0.000 0.633 726 A CB -1.393 17.648 19.000 0.068 0.000 0.819 726 A HN 0.325 nan 8.150 nan 0.000 0.448 727 A N -0.798 122.064 122.820 0.069 0.000 2.178 727 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 727 A C 1.912 179.515 177.584 0.031 0.000 1.157 727 A CA 1.197 53.255 52.037 0.034 0.000 0.689 727 A CB -0.513 18.492 19.000 0.010 0.000 0.787 727 A HN 0.501 nan 8.150 nan 0.000 0.465 728 L N -1.666 119.579 121.223 0.038 0.000 2.492 728 L HA 0.158 4.498 4.340 -0.000 0.000 0.223 728 L C 1.590 178.462 176.870 0.003 0.000 1.132 728 L CA 0.641 55.468 54.840 -0.021 0.000 0.850 728 L CB -0.109 41.885 42.059 -0.109 0.000 0.966 728 L HN 0.579 nan 8.230 nan 0.000 0.454 729 G N 0.705 109.526 108.800 0.035 0.000 2.131 729 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.201 729 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.201 729 G C -0.019 174.915 174.900 0.057 0.000 1.000 729 G CA -0.015 45.107 45.100 0.037 0.000 0.680 729 G HN 0.190 nan 8.290 nan 0.000 0.514 730 V N -2.923 117.043 119.914 0.087 0.000 2.864 730 V HA 0.857 4.977 4.120 -0.000 0.000 0.314 730 V C -0.191 175.981 176.094 0.129 0.000 1.073 730 V CA -1.572 60.793 62.300 0.109 0.000 0.956 730 V CB 2.106 34.006 31.823 0.129 0.000 1.023 730 V HN 0.039 nan 8.190 nan 0.000 0.435 731 D N 1.596 122.070 120.400 0.122 0.000 2.354 731 D HA 0.574 5.214 4.640 -0.000 0.000 0.247 731 D C -0.020 176.373 176.300 0.155 0.000 1.138 731 D CA 0.133 54.205 54.000 0.120 0.000 0.958 731 D CB 2.069 42.936 40.800 0.110 0.000 1.144 731 D HN 0.941 nan 8.370 nan 0.000 0.458 732 V N -2.776 117.228 119.914 0.150 0.000 2.823 732 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 732 V C -0.915 175.274 176.094 0.158 0.000 1.072 732 V CA -0.923 61.509 62.300 0.220 0.000 0.937 732 V CB 1.557 33.529 31.823 0.248 0.000 1.013 732 V HN 0.683 nan 8.190 nan 0.000 0.430 733 A N 3.852 126.804 122.820 0.219 0.000 2.520 733 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 733 A C -0.938 176.762 177.584 0.193 0.000 1.051 733 A CA -0.700 51.423 52.037 0.143 0.000 0.690 733 A CB 1.592 20.690 19.000 0.164 0.000 1.281 733 A HN 0.978 nan 8.150 nan 0.000 0.402 734 I N 2.809 123.442 120.570 0.105 0.000 2.291 734 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 734 I C 1.517 177.646 176.117 0.021 0.000 1.064 734 I CA 0.078 61.445 61.300 0.111 0.000 1.269 734 I CB 1.406 39.465 38.000 0.099 0.000 1.418 734 I HN 0.907 nan 8.210 nan 0.000 0.485 735 T N 0.893 115.430 114.554 -0.028 0.000 3.044 735 T HA 0.152 4.502 4.350 -0.000 0.000 0.255 735 T C 0.829 175.435 174.700 -0.158 0.000 1.073 735 T CA 0.363 62.411 62.100 -0.086 0.000 1.125 735 T CB 0.089 68.873 68.868 -0.140 0.000 0.908 735 T HN 0.578 nan 8.240 nan 0.000 0.480 736 E N 0.891 120.904 120.200 -0.312 0.000 3.843 736 E HA 0.312 4.662 4.350 -0.000 0.000 0.189 736 E C -1.075 175.303 176.600 -0.370 0.000 1.013 736 E CA -0.497 55.660 56.400 -0.405 0.000 1.395 736 E CB 0.697 29.733 29.700 -1.107 0.000 1.136 736 E HN 0.221 nan 8.360 nan 0.000 0.444 737 L N 3.029 124.176 121.223 -0.127 0.000 2.559 737 L HA 0.094 4.434 4.340 -0.000 0.000 0.274 737 L C -0.680 176.299 176.870 0.182 0.000 1.205 737 L CA 0.780 55.601 54.840 -0.032 0.000 0.907 737 L CB 0.063 42.169 42.059 0.078 0.000 1.153 737 L HN 0.183 nan 8.230 nan 0.000 0.490 738 D N 4.035 124.530 120.400 0.158 0.000 2.787 738 D HA 0.396 5.036 4.640 -0.000 0.000 0.215 738 D C -1.049 175.351 176.300 0.167 0.000 1.246 738 D CA -0.330 53.851 54.000 0.301 0.000 0.798 738 D CB 0.217 41.304 40.800 0.477 0.000 1.649 738 D HN 0.391 nan 8.370 nan 0.000 0.507 739 I N 1.011 121.637 120.570 0.094 0.000 2.418 739 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 739 I C 0.064 176.246 176.117 0.109 0.000 1.008 739 I CA -0.958 60.367 61.300 0.042 0.000 1.104 739 I CB 2.036 39.894 38.000 -0.236 0.000 1.264 739 I HN 0.401 nan 8.210 nan 0.000 0.438 740 Q N 5.315 125.177 119.800 0.103 0.000 2.239 740 Q HA 0.146 4.486 4.340 -0.000 0.000 0.286 740 Q C 1.094 177.135 176.000 0.069 0.000 1.102 740 Q CA 1.392 57.241 55.803 0.077 0.000 0.936 740 Q CB 0.349 29.121 28.738 0.056 0.000 1.127 740 Q HN 1.028 nan 8.270 nan 0.000 0.380 741 G N 3.176 112.021 108.800 0.074 0.000 2.234 741 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.235 741 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.235 741 G C 0.518 175.471 174.900 0.089 0.000 0.997 741 G CA 0.107 45.243 45.100 0.061 0.000 0.623 741 G HN 1.840 nan 8.290 nan 0.000 0.514 742 A N -0.884 122.029 122.820 0.155 0.000 2.745 742 A HA 0.058 4.378 4.320 -0.000 0.000 0.296 742 A C 1.359 179.087 177.584 0.240 0.000 1.500 742 A CA 1.860 54.075 52.037 0.297 0.000 0.766 742 A CB -2.030 17.125 19.000 0.258 0.000 1.030 742 A HN 2.491 nan 8.150 nan 0.000 0.489 743 S N -0.116 115.657 115.700 0.123 0.000 2.626 743 S HA 0.246 4.716 4.470 -0.000 0.000 0.303 743 S C 1.555 176.220 174.600 0.108 0.000 1.256 743 S CA 0.537 58.772 58.200 0.059 0.000 1.069 743 S CB 0.433 63.630 63.200 -0.005 0.000 0.807 743 S HN 1.030 nan 8.310 nan 0.000 0.500 744 S N 4.172 119.897 115.700 0.042 0.000 2.370 744 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 744 S C 2.188 176.816 174.600 0.047 0.000 1.033 744 S CA 1.711 59.939 58.200 0.046 0.000 1.011 744 S CB -0.404 62.780 63.200 -0.027 0.000 0.852 744 S HN 0.821 nan 8.310 nan 0.000 0.457 745 S N 0.956 116.657 115.700 0.001 0.000 2.368 745 S HA -0.074 4.395 4.470 -0.000 0.000 0.224 745 S C 2.112 176.661 174.600 -0.086 0.000 1.029 745 S CA 1.418 59.606 58.200 -0.021 0.000 0.988 745 S CB -0.584 62.604 63.200 -0.020 0.000 0.838 745 S HN 0.578 nan 8.310 nan 0.000 0.462 746 T N 0.855 115.332 114.554 -0.127 0.000 2.777 746 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 746 T C 1.514 176.013 174.700 -0.336 0.000 1.040 746 T CA 1.094 62.992 62.100 -0.337 0.000 1.141 746 T CB -0.439 68.240 68.868 -0.314 0.000 0.868 746 T HN 0.332 nan 8.240 nan 0.000 0.444 747 Y N 1.591 121.804 120.300 -0.145 0.000 2.207 747 Y HA -0.044 4.506 4.550 -0.000 0.000 0.287 747 Y C 2.669 178.527 175.900 -0.070 0.000 1.156 747 Y CA 0.757 58.817 58.100 -0.066 0.000 1.182 747 Y CB -0.684 37.774 38.460 -0.003 0.000 0.979 747 Y HN 0.209 nan 8.280 nan 0.000 0.521 748 A N -0.541 122.326 122.820 0.078 0.000 1.930 748 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 748 A C 2.420 179.989 177.584 -0.024 0.000 1.175 748 A CA 1.494 53.550 52.037 0.032 0.000 0.627 748 A CB -1.165 17.846 19.000 0.019 0.000 0.815 748 A HN 0.397 nan 8.150 nan 0.000 0.443 749 A N -0.403 122.339 122.820 -0.130 0.000 1.902 749 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 749 A C 2.219 179.719 177.584 -0.140 0.000 1.181 749 A CA 1.800 53.736 52.037 -0.170 0.000 0.623 749 A CB -0.941 17.844 19.000 -0.358 0.000 0.818 749 A HN 0.372 nan 8.150 nan 0.000 0.443 750 V N -0.176 119.592 119.914 -0.243 0.000 2.295 750 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 750 V C 2.752 178.916 176.094 0.115 0.000 1.049 750 V CA 2.506 64.811 62.300 0.009 0.000 1.024 750 V CB -1.377 30.447 31.823 0.001 0.000 0.648 750 V HN 0.612 nan 8.190 nan 0.000 0.447 751 T N 0.440 115.056 114.554 0.103 0.000 2.684 751 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 751 T C 1.826 176.567 174.700 0.068 0.000 1.036 751 T CA 1.772 63.947 62.100 0.126 0.000 1.148 751 T CB -0.407 68.546 68.868 0.142 0.000 0.863 751 T HN 0.431 nan 8.240 nan 0.000 0.436 752 N N 1.202 119.928 118.700 0.043 0.000 2.244 752 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 752 N C 1.541 177.058 175.510 0.013 0.000 1.016 752 N CA 0.911 53.976 53.050 0.024 0.000 0.866 752 N CB -0.391 38.108 38.487 0.020 0.000 0.980 752 N HN 0.382 nan 8.380 nan 0.000 0.430 753 D N 0.431 120.849 120.400 0.030 0.000 2.097 753 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 753 D C 2.046 178.290 176.300 -0.093 0.000 0.989 753 D CA 0.601 54.588 54.000 -0.022 0.000 0.827 753 D CB -0.581 40.230 40.800 0.018 0.000 0.966 753 D HN 0.212 nan 8.370 nan 0.000 0.456 754 c N 0.772 119.335 118.600 -0.061 0.000 2.429 754 c HA -0.048 4.522 4.570 -0.000 0.000 0.277 754 c C 2.561 176.612 174.090 -0.064 0.000 1.262 754 c CA 0.276 56.553 56.329 -0.086 0.000 1.733 754 c CB -1.170 41.313 42.510 -0.045 0.000 2.010 754 c HN 0.289 nan 8.230 nan 0.000 0.483 755 L N 0.894 122.099 121.223 -0.030 0.000 2.465 755 L HA 0.014 4.354 4.340 -0.000 0.000 0.224 755 L C 2.710 179.562 176.870 -0.030 0.000 1.145 755 L CA 1.309 56.136 54.840 -0.023 0.000 0.834 755 L CB -0.970 41.088 42.059 -0.002 0.000 0.944 755 L HN 0.497 nan 8.230 nan 0.000 0.451 756 A N -0.414 122.380 122.820 -0.042 0.000 2.132 756 A HA 0.136 4.456 4.320 -0.000 0.000 0.213 756 A C 0.979 178.528 177.584 -0.058 0.000 1.154 756 A CA 0.217 52.227 52.037 -0.045 0.000 0.753 756 A CB 0.169 19.141 19.000 -0.047 0.000 0.826 756 A HN 0.130 nan 8.150 nan 0.000 0.469 757 V N 1.607 121.477 119.914 -0.074 0.000 2.334 757 V HA 0.160 4.280 4.120 -0.000 0.000 0.281 757 V C 1.474 177.538 176.094 -0.049 0.000 1.016 757 V CA 0.232 62.488 62.300 -0.073 0.000 0.832 757 V CB 0.902 32.657 31.823 -0.112 0.000 0.999 757 V HN 0.582 nan 8.190 nan 0.000 0.439 758 S N 4.594 120.275 115.700 -0.031 0.000 2.420 758 S HA -0.169 4.301 4.470 -0.000 0.000 0.237 758 S C 1.552 176.147 174.600 -0.008 0.000 1.023 758 S CA 0.968 59.158 58.200 -0.017 0.000 0.991 758 S CB -0.208 62.987 63.200 -0.009 0.000 0.792 758 S HN 0.670 nan 8.310 nan 0.000 0.488 759 R N 0.149 120.646 120.500 -0.004 0.000 2.310 759 R HA 0.201 4.541 4.340 -0.000 0.000 0.202 759 R C 0.366 176.673 176.300 0.012 0.000 0.933 759 R CA 0.075 56.185 56.100 0.017 0.000 1.054 759 R CB -0.981 29.342 30.300 0.039 0.000 0.985 759 R HN 0.503 nan 8.270 nan 0.000 0.489 760 c N 2.024 120.608 118.600 -0.026 0.000 2.416 760 c HA 0.207 4.777 4.570 -0.000 0.000 0.355 760 c C 2.061 176.106 174.090 -0.074 0.000 1.211 760 c CA -0.625 55.674 56.329 -0.050 0.000 1.699 760 c CB -1.191 41.261 42.510 -0.095 0.000 2.310 760 c HN 0.439 nan 8.230 nan 0.000 0.539 761 L N 5.316 126.504 121.223 -0.059 0.000 2.083 761 L HA 0.205 4.545 4.340 -0.000 0.000 0.209 761 L C 1.585 178.179 176.870 -0.459 0.000 1.083 761 L CA 1.329 56.113 54.840 -0.093 0.000 0.752 761 L CB -0.670 41.451 42.059 0.103 0.000 0.899 761 L HN 0.925 nan 8.230 nan 0.000 0.433 762 G N -0.931 107.461 108.800 -0.680 0.000 2.321 762 G HA2 0.438 4.398 3.960 -0.000 0.000 0.296 762 G HA3 0.438 4.398 3.960 -0.000 0.000 0.296 762 G C -1.842 172.639 174.900 -0.698 0.000 1.287 762 G CA -0.742 43.667 45.100 -1.153 0.000 0.846 762 G HN -0.099 nan 8.290 nan 0.000 0.508 763 I N 0.593 120.790 120.570 -0.621 0.000 2.466 763 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 763 I C -0.457 175.346 176.117 -0.524 0.000 1.026 763 I CA -0.589 60.423 61.300 -0.480 0.000 1.078 763 I CB 2.617 40.268 38.000 -0.582 0.000 1.249 763 I HN 0.348 nan 8.210 nan 0.000 0.429 764 T N 5.537 119.967 114.554 -0.206 0.000 2.792 764 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 764 T C -0.269 174.402 174.700 -0.048 0.000 0.990 764 T CA -0.541 61.489 62.100 -0.116 0.000 0.960 764 T CB 1.664 70.549 68.868 0.029 0.000 0.939 764 T HN 0.363 nan 8.240 nan 0.000 0.439 765 V N 1.161 121.083 119.914 0.013 0.000 2.539 765 V HA 0.473 4.593 4.120 -0.000 0.000 0.292 765 V C 0.208 176.422 176.094 0.200 0.000 1.045 765 V CA -1.181 61.239 62.300 0.199 0.000 0.945 765 V CB 1.349 33.396 31.823 0.373 0.000 0.993 765 V HN 1.005 nan 8.190 nan 0.000 0.464 766 W N 5.129 126.452 121.300 0.038 0.000 1.371 766 W HA 0.533 5.193 4.660 -0.000 0.000 0.482 766 W C 0.594 177.167 176.519 0.091 0.000 0.640 766 W CA 0.763 58.120 57.345 0.019 0.000 2.164 766 W CB -0.026 29.482 29.460 0.080 0.000 1.613 766 W HN 1.221 nan 8.180 nan 0.000 0.212 767 G N 0.070 108.803 108.800 -0.112 0.000 2.340 767 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.527 767 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.527 767 G C -0.601 174.314 174.900 0.024 0.000 1.381 767 G CA -0.659 44.397 45.100 -0.074 0.000 1.001 767 G HN 0.044 nan 8.290 nan 0.000 0.626 768 V N 0.448 120.404 119.914 0.070 0.000 2.423 768 V HA 0.303 4.423 4.120 -0.000 0.000 0.233 768 V C 1.568 177.801 176.094 0.231 0.000 1.067 768 V CA 1.458 63.818 62.300 0.101 0.000 1.073 768 V CB -0.478 31.268 31.823 -0.128 0.000 0.715 768 V HN 0.694 nan 8.190 nan 0.000 0.485 769 R N 0.703 121.331 120.500 0.214 0.000 2.536 769 R HA 0.269 4.609 4.340 -0.000 0.000 0.279 769 R C 0.735 177.155 176.300 0.200 0.000 1.001 769 R CA -0.574 55.663 56.100 0.229 0.000 1.027 769 R CB 0.730 31.138 30.300 0.179 0.000 1.096 769 R HN 0.231 nan 8.270 nan 0.000 0.502 770 D N 0.708 121.218 120.400 0.183 0.000 2.158 770 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 770 D C 1.645 178.017 176.300 0.120 0.000 0.995 770 D CA 2.138 56.230 54.000 0.152 0.000 0.846 770 D CB -0.168 40.703 40.800 0.118 0.000 0.941 770 D HN 0.686 nan 8.370 nan 0.000 0.456 771 T N -1.293 113.321 114.554 0.101 0.000 3.007 771 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 771 T C 1.177 175.915 174.700 0.063 0.000 1.107 771 T CA 0.864 63.005 62.100 0.070 0.000 1.118 771 T CB 0.017 68.917 68.868 0.053 0.000 0.889 771 T HN 0.012 nan 8.240 nan 0.000 0.506 772 D N 1.219 121.672 120.400 0.088 0.000 2.346 772 D HA 0.120 4.760 4.640 -0.000 0.000 0.206 772 D C 1.027 177.388 176.300 0.103 0.000 1.001 772 D CA 0.182 54.220 54.000 0.064 0.000 0.871 772 D CB -0.024 40.838 40.800 0.104 0.000 0.943 772 D HN 0.429 nan 8.370 nan 0.000 0.518 773 S N 1.297 117.093 115.700 0.159 0.000 2.568 773 S HA -0.023 4.447 4.470 -0.000 0.000 0.282 773 S C 1.275 176.051 174.600 0.294 0.000 1.338 773 S CA -0.702 57.656 58.200 0.263 0.000 1.045 773 S CB 0.493 63.845 63.200 0.253 0.000 0.873 773 S HN 0.364 nan 8.310 nan 0.000 0.516 774 W N 5.080 126.453 121.300 0.121 0.000 2.825 774 W HA 0.185 4.845 4.660 0.000 0.000 0.243 774 W C 0.274 176.837 176.519 0.074 0.000 1.293 774 W CA -0.115 57.294 57.345 0.107 0.000 1.403 774 W CB -0.766 28.799 29.460 0.176 0.000 1.134 774 W HN 0.647 nan 8.180 nan 0.000 0.666 775 R N 1.207 121.562 120.500 -0.241 0.000 2.647 775 R HA 0.051 4.391 4.340 -0.000 0.000 0.295 775 R C 1.594 177.832 176.300 -0.103 0.000 1.267 775 R CA 0.522 56.404 56.100 -0.363 0.000 1.386 775 R CB 0.326 30.209 30.300 -0.694 0.000 1.309 775 R HN 0.041 nan 8.270 nan 0.000 0.692 776 S N -0.965 114.727 115.700 -0.013 0.000 2.420 776 S HA -0.156 4.314 4.470 -0.000 0.000 0.237 776 S C 1.987 176.593 174.600 0.011 0.000 1.023 776 S CA 1.397 59.616 58.200 0.031 0.000 0.991 776 S CB -0.188 63.037 63.200 0.042 0.000 0.792 776 S HN 0.551 nan 8.310 nan 0.000 0.488 777 G N 1.475 110.262 108.800 -0.022 0.000 2.470 777 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 777 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 777 G C 0.913 175.806 174.900 -0.012 0.000 1.121 777 G CA 0.921 46.010 45.100 -0.018 0.000 0.766 777 G HN 0.529 nan 8.290 nan 0.000 0.553 778 D N 0.353 120.740 120.400 -0.022 0.000 2.339 778 D HA 0.055 4.695 4.640 -0.000 0.000 0.217 778 D C 1.507 177.835 176.300 0.045 0.000 1.050 778 D CA 0.983 54.984 54.000 0.001 0.000 0.856 778 D CB -0.312 40.476 40.800 -0.021 0.000 0.922 778 D HN 0.360 nan 8.370 nan 0.000 0.518 779 T N -0.578 114.009 114.554 0.054 0.000 3.398 779 T HA -0.158 4.192 4.350 -0.000 0.000 0.408 779 T C -1.775 173.000 174.700 0.125 0.000 0.769 779 T CA 0.287 62.436 62.100 0.081 0.000 2.018 779 T CB -1.102 67.799 68.868 0.055 0.000 1.703 779 T HN 0.169 nan 8.240 nan 0.000 0.639 780 P HA 0.355 nan 4.420 nan 0.000 0.262 780 P C 0.649 178.173 177.300 0.372 0.000 1.304 780 P CA -0.297 62.951 63.100 0.247 0.000 0.859 780 P CB 0.404 32.236 31.700 0.219 0.000 1.310 781 L N -0.972 120.437 121.223 0.311 0.000 2.578 781 L HA 0.381 4.720 4.340 -0.000 0.000 0.259 781 L C 1.988 178.967 176.870 0.181 0.000 1.082 781 L CA -1.062 53.978 54.840 0.333 0.000 0.843 781 L CB 0.403 42.655 42.059 0.323 0.000 1.535 781 L HN -0.285 nan 8.230 nan 0.000 0.510 782 L N -0.682 120.633 121.223 0.154 0.000 2.529 782 L HA 0.184 4.524 4.340 -0.000 0.000 0.223 782 L C -0.488 176.263 176.870 -0.198 0.000 1.113 782 L CA 0.411 55.209 54.840 -0.071 0.000 0.861 782 L CB 0.098 42.127 42.059 -0.051 0.000 1.012 782 L HN 0.229 nan 8.230 nan 0.000 0.461 783 F N 0.145 120.148 119.950 0.087 0.000 2.532 783 F HA 0.300 4.827 4.527 -0.000 0.000 0.321 783 F C 0.400 176.223 175.800 0.040 0.000 1.089 783 F CA -1.463 56.559 58.000 0.037 0.000 0.926 783 F CB 1.089 40.112 39.000 0.039 0.000 1.168 783 F HN -0.066 nan 8.300 nan 0.000 0.459 784 N N 0.253 119.047 118.700 0.156 0.000 2.418 784 N HA 0.366 5.106 4.740 -0.000 0.000 0.283 784 N C 1.223 176.799 175.510 0.110 0.000 1.267 784 N CA -0.190 52.920 53.050 0.100 0.000 0.975 784 N CB -0.034 38.469 38.487 0.026 0.000 1.167 784 N HN 0.620 nan 8.380 nan 0.000 0.581 785 G N -0.555 108.289 108.800 0.073 0.000 2.513 785 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.219 785 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.219 785 G C 0.522 175.455 174.900 0.056 0.000 1.160 785 G CA 1.616 46.755 45.100 0.064 0.000 0.767 785 G HN 0.899 nan 8.290 nan 0.000 0.571 786 D N -0.909 119.516 120.400 0.042 0.000 2.323 786 D HA 0.331 4.971 4.640 -0.000 0.000 0.239 786 D C 1.599 177.925 176.300 0.043 0.000 1.129 786 D CA 0.565 54.584 54.000 0.032 0.000 0.865 786 D CB -0.451 40.356 40.800 0.012 0.000 0.913 786 D HN 0.524 nan 8.370 nan 0.000 0.517 787 G N 0.046 108.893 108.800 0.079 0.000 2.159 787 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.256 787 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.256 787 G C 0.395 175.398 174.900 0.172 0.000 0.977 787 G CA 0.379 45.541 45.100 0.104 0.000 0.652 787 G HN 0.837 nan 8.290 nan 0.000 0.531 788 S N -0.392 115.374 115.700 0.110 0.000 2.586 788 S HA 0.655 5.125 4.470 -0.000 0.000 0.274 788 S C 0.284 174.866 174.600 -0.031 0.000 1.281 788 S CA -0.432 57.792 58.200 0.041 0.000 1.035 788 S CB 1.608 64.786 63.200 -0.038 0.000 0.962 788 S HN 0.432 nan 8.310 nan 0.000 0.512 789 K N 1.917 122.175 120.400 -0.237 0.000 2.401 789 K HA 0.185 4.505 4.320 -0.000 0.000 0.278 789 K C 0.099 176.496 176.600 -0.338 0.000 1.018 789 K CA -0.002 55.907 56.287 -0.628 0.000 0.981 789 K CB 0.450 32.467 32.500 -0.804 0.000 0.933 789 K HN 0.556 nan 8.250 nan 0.000 0.477 790 K N 0.839 121.053 120.400 -0.309 0.000 2.109 790 K HA 0.236 4.556 4.320 -0.000 0.000 0.243 790 K C 1.116 177.667 176.600 -0.083 0.000 1.006 790 K CA -0.391 55.803 56.287 -0.156 0.000 0.917 790 K CB 0.976 33.403 32.500 -0.123 0.000 1.081 790 K HN 0.610 nan 8.250 nan 0.000 0.468 791 A N 1.059 123.858 122.820 -0.037 0.000 1.978 791 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 791 A C 2.122 179.715 177.584 0.014 0.000 1.170 791 A CA 2.291 54.353 52.037 0.041 0.000 0.636 791 A CB -0.949 18.078 19.000 0.045 0.000 0.810 791 A HN 0.780 nan 8.150 nan 0.000 0.448 792 A N -1.622 121.168 122.820 -0.050 0.000 1.969 792 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 792 A C 2.045 179.504 177.584 -0.208 0.000 1.169 792 A CA 1.520 53.493 52.037 -0.106 0.000 0.635 792 A CB -0.716 18.193 19.000 -0.152 0.000 0.810 792 A HN 0.763 nan 8.150 nan 0.000 0.445 793 Y N 1.259 121.363 120.300 -0.327 0.000 2.097 793 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 793 Y C 2.590 178.340 175.900 -0.250 0.000 1.152 793 Y CA 2.508 60.379 58.100 -0.382 0.000 1.136 793 Y CB -0.834 37.298 38.460 -0.546 0.000 0.975 793 Y HN 0.286 nan 8.280 nan 0.000 0.498 794 T N 0.927 115.509 114.554 0.046 0.000 2.720 794 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 794 T C 2.078 176.729 174.700 -0.082 0.000 1.037 794 T CA 1.649 63.763 62.100 0.023 0.000 1.144 794 T CB -0.849 68.078 68.868 0.097 0.000 0.864 794 T HN 0.533 nan 8.240 nan 0.000 0.444 795 A N 0.745 123.534 122.820 -0.052 0.000 1.933 795 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 795 A C 2.586 180.118 177.584 -0.087 0.000 1.175 795 A CA 1.293 53.313 52.037 -0.028 0.000 0.628 795 A CB -0.897 18.116 19.000 0.022 0.000 0.814 795 A HN 0.369 nan 8.150 nan 0.000 0.444 796 V N -0.374 119.430 119.914 -0.184 0.000 2.307 796 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 796 V C 2.476 178.405 176.094 -0.275 0.000 1.045 796 V CA 1.883 64.065 62.300 -0.197 0.000 1.024 796 V CB -0.778 30.867 31.823 -0.296 0.000 0.651 796 V HN 0.586 nan 8.190 nan 0.000 0.449 797 L N 0.996 121.950 121.223 -0.447 0.000 2.012 797 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 797 L C 2.217 178.977 176.870 -0.183 0.000 1.073 797 L CA 2.069 56.680 54.840 -0.382 0.000 0.748 797 L CB -0.927 40.871 42.059 -0.435 0.000 0.891 797 L HN 0.329 nan 8.230 nan 0.000 0.431 798 N N 0.144 118.766 118.700 -0.130 0.000 2.166 798 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 798 N C 1.829 177.311 175.510 -0.046 0.000 1.019 798 N CA 1.569 54.581 53.050 -0.063 0.000 0.856 798 N CB -0.605 37.862 38.487 -0.033 0.000 0.993 798 N HN 0.544 nan 8.380 nan 0.000 0.426 799 A N 1.117 123.910 122.820 -0.046 0.000 1.898 799 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 799 A C 2.345 179.919 177.584 -0.016 0.000 1.181 799 A CA 0.830 52.857 52.037 -0.018 0.000 0.620 799 A CB -0.728 18.273 19.000 0.001 0.000 0.819 799 A HN 0.210 nan 8.150 nan 0.000 0.442 800 L N -0.131 121.071 121.223 -0.035 0.000 2.083 800 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 800 L C 1.400 178.256 176.870 -0.022 0.000 1.083 800 L CA 1.001 55.829 54.840 -0.021 0.000 0.752 800 L CB -0.521 41.506 42.059 -0.054 0.000 0.899 800 L HN 0.364 nan 8.230 nan 0.000 0.433 801 N N 0.113 118.791 118.700 -0.036 0.000 2.434 801 N HA 0.010 4.750 4.740 -0.000 0.000 0.196 801 N C 1.354 176.855 175.510 -0.015 0.000 1.183 801 N CA 0.977 54.011 53.050 -0.026 0.000 0.849 801 N CB 0.705 39.173 38.487 -0.032 0.000 0.992 801 N HN 0.469 nan 8.380 nan 0.000 0.460 802 G N -0.381 108.412 108.800 -0.011 0.000 2.217 802 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 802 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 802 G C 0.707 175.603 174.900 -0.005 0.000 0.990 802 G CA 0.324 45.420 45.100 -0.006 0.000 0.627 802 G HN 0.766 nan 8.290 nan 0.000 0.522 803 G N -0.948 107.847 108.800 -0.009 0.000 2.528 803 G HA2 0.150 4.110 3.960 -0.000 0.000 0.262 803 G HA3 0.150 4.110 3.960 -0.000 0.000 0.262 803 G C 0.169 175.068 174.900 -0.003 0.000 1.200 803 G CA 0.670 45.767 45.100 -0.005 0.000 0.951 803 G HN 1.851 nan 8.290 nan 0.000 0.566 804 S N -1.198 114.503 115.700 0.001 0.000 2.704 804 S HA 0.714 5.183 4.470 -0.000 0.000 0.296 804 S C 0.469 175.071 174.600 0.003 0.000 1.138 804 S CA 0.334 58.534 58.200 0.001 0.000 0.875 804 S CB 1.893 65.095 63.200 0.002 0.000 1.151 804 S HN 1.816 nan 8.310 nan 0.000 0.500 805 S N 0.265 115.966 115.700 0.002 0.000 2.481 805 S HA 0.358 4.828 4.470 -0.000 0.000 0.243 805 S C -0.171 174.432 174.600 0.005 0.000 1.152 805 S CA -0.529 57.673 58.200 0.003 0.000 1.168 805 S CB -0.723 62.478 63.200 0.001 0.000 0.835 805 S HN 0.768 nan 8.310 nan 0.000 0.474 806 T N -1.086 113.472 114.554 0.007 0.000 3.089 806 T HA 0.474 4.824 4.350 -0.000 0.000 0.340 806 T C -3.250 171.458 174.700 0.014 0.000 1.008 806 T CA -1.606 60.499 62.100 0.009 0.000 1.096 806 T CB 0.547 69.420 68.868 0.008 0.000 1.024 806 T HN -0.037 nan 8.240 nan 0.000 0.477 807 P HA 0.164 nan 4.420 nan 0.000 0.255 807 P C -2.230 175.086 177.300 0.026 0.000 1.161 807 P CA -0.403 62.710 63.100 0.021 0.000 0.768 807 P CB -0.377 31.334 31.700 0.019 0.000 0.746 808 P HA 0.034 nan 4.420 nan 0.000 0.264 808 P C -2.205 175.124 177.300 0.048 0.000 1.183 808 P CA -0.596 62.532 63.100 0.046 0.000 0.763 808 P CB -0.537 31.202 31.700 0.064 0.000 0.807 809 P HA -0.006 nan 4.420 nan 0.000 0.257 809 P C -0.105 177.230 177.300 0.058 0.000 1.359 809 P CA 0.349 63.478 63.100 0.048 0.000 1.239 809 P CB -0.239 31.489 31.700 0.048 0.000 1.549 810 S N 3.829 119.558 115.700 0.048 0.000 2.506 810 S HA 0.384 4.854 4.470 -0.000 0.000 0.291 810 S C 0.767 175.392 174.600 0.040 0.000 1.230 810 S CA 0.539 58.767 58.200 0.046 0.000 1.107 810 S CB -1.085 62.137 63.200 0.035 0.000 0.942 810 S HN 0.768 nan 8.310 nan 0.000 0.502 811 G N 3.778 112.605 108.800 0.046 0.000 3.138 811 G HA2 0.325 4.285 3.960 -0.000 0.000 0.685 811 G HA3 0.325 4.285 3.960 -0.000 0.000 0.685 811 G C 0.668 175.587 174.900 0.032 0.000 0.995 811 G CA -0.276 44.845 45.100 0.036 0.000 0.849 811 G HN 2.085 nan 8.290 nan 0.000 0.537 812 G N 0.603 109.419 108.800 0.027 0.000 2.801 812 G HA2 0.487 4.447 3.960 -0.000 0.000 0.244 812 G HA3 0.487 4.447 3.960 -0.000 0.000 0.244 812 G C 1.405 176.327 174.900 0.037 0.000 1.385 812 G CA 0.988 46.095 45.100 0.011 0.000 0.894 812 G HN 3.248 nan 8.290 nan 0.000 0.562 813 G N -1.529 107.288 108.800 0.029 0.000 2.764 813 G HA2 0.494 4.454 3.960 -0.000 0.000 0.678 813 G HA3 0.494 4.454 3.960 -0.000 0.000 0.678 813 G C -0.576 174.379 174.900 0.091 0.000 1.341 813 G CA 0.409 45.540 45.100 0.051 0.000 0.836 813 G HN 1.013 nan 8.290 nan 0.000 0.632 814 Q N -0.213 119.636 119.800 0.081 0.000 2.256 814 Q HA 0.713 5.053 4.340 -0.000 0.000 0.232 814 Q C 0.155 176.215 176.000 0.100 0.000 0.965 814 Q CA -0.463 55.416 55.803 0.126 0.000 0.908 814 Q CB 1.904 30.691 28.738 0.080 0.000 1.209 814 Q HN 0.539 nan 8.270 nan 0.000 0.489 815 I N 1.577 122.201 120.570 0.090 0.000 2.411 815 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 815 I C -0.533 175.669 176.117 0.143 0.000 1.012 815 I CA -0.486 60.823 61.300 0.015 0.000 1.119 815 I CB 1.373 39.211 38.000 -0.270 0.000 1.261 815 I HN 0.358 nan 8.210 nan 0.000 0.448 816 K N 4.687 125.198 120.400 0.185 0.000 2.182 816 K HA 0.610 4.930 4.320 -0.000 0.000 0.262 816 K C 0.047 176.761 176.600 0.190 0.000 0.957 816 K CA -0.517 55.884 56.287 0.190 0.000 0.842 816 K CB 1.812 34.364 32.500 0.087 0.000 1.099 816 K HN 0.727 nan 8.250 nan 0.000 0.438 817 G N 2.508 111.341 108.800 0.055 0.000 2.349 817 G HA2 0.186 4.146 3.960 -0.000 0.000 0.281 817 G HA3 0.186 4.146 3.960 -0.000 0.000 0.281 817 G C 1.030 175.756 174.900 -0.290 0.000 1.182 817 G CA -0.522 44.315 45.100 -0.437 0.000 0.899 817 G HN 0.583 nan 8.290 nan 0.000 0.455 818 V N 1.675 121.410 119.914 -0.299 0.000 2.568 818 V HA -0.032 4.088 4.120 -0.000 0.000 0.253 818 V C 2.093 178.075 176.094 -0.187 0.000 1.072 818 V CA 1.966 64.153 62.300 -0.189 0.000 1.084 818 V CB -0.664 31.060 31.823 -0.166 0.000 0.676 818 V HN 0.607 nan 8.190 nan 0.000 0.469 819 G N -0.246 108.401 108.800 -0.256 0.000 3.181 819 G HA2 0.289 4.249 3.960 -0.000 0.000 0.219 819 G HA3 0.289 4.249 3.960 -0.000 0.000 0.219 819 G C 1.055 175.857 174.900 -0.163 0.000 1.182 819 G CA 0.808 45.788 45.100 -0.199 0.000 0.791 819 G HN 0.957 nan 8.290 nan 0.000 0.537 820 S N -3.486 112.123 115.700 -0.152 0.000 2.348 820 S HA 0.326 4.796 4.470 -0.000 0.000 0.276 820 S C 1.708 176.265 174.600 -0.072 0.000 1.027 820 S CA 0.965 59.104 58.200 -0.103 0.000 1.386 820 S CB -0.029 63.112 63.200 -0.098 0.000 1.122 820 S HN 1.468 nan 8.310 nan 0.000 0.573 821 G N 1.642 110.399 108.800 -0.071 0.000 2.212 821 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.266 821 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.266 821 G C 0.107 175.004 174.900 -0.005 0.000 0.978 821 G CA 0.416 45.494 45.100 -0.037 0.000 0.632 821 G HN 0.675 nan 8.290 nan 0.000 0.537 822 R N -0.323 120.180 120.500 0.005 0.000 2.500 822 R HA 0.663 5.003 4.340 -0.000 0.000 0.275 822 R C 0.403 176.778 176.300 0.125 0.000 1.051 822 R CA -0.260 55.873 56.100 0.054 0.000 1.088 822 R CB 0.666 30.999 30.300 0.055 0.000 1.063 822 R HN 0.254 nan 8.270 nan 0.000 0.511 823 c N 2.466 121.162 118.600 0.159 0.000 2.365 823 c HA 0.331 4.901 4.570 -0.000 0.000 0.351 823 c C -0.140 174.074 174.090 0.206 0.000 1.240 823 c CA -0.850 55.588 56.329 0.181 0.000 2.062 823 c CB 0.557 43.155 42.510 0.146 0.000 2.387 823 c HN 0.640 nan 8.230 nan 0.000 0.537 824 L N 4.505 125.819 121.223 0.152 0.000 2.700 824 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 824 L C 0.133 177.175 176.870 0.285 0.000 1.176 824 L CA 1.324 56.196 54.840 0.053 0.000 0.961 824 L CB -0.456 41.354 42.059 -0.415 0.000 1.249 824 L HN 0.655 nan 8.230 nan 0.000 0.487 825 D N 3.724 124.271 120.400 0.245 0.000 2.619 825 D HA 0.290 4.930 4.640 -0.000 0.000 0.241 825 D C -1.273 175.146 176.300 0.199 0.000 1.087 825 D CA -0.448 53.687 54.000 0.226 0.000 0.851 825 D CB 2.362 43.286 40.800 0.207 0.000 1.474 825 D HN 0.221 nan 8.370 nan 0.000 0.478 826 V N 4.607 124.608 119.914 0.144 0.000 2.348 826 V HA 0.252 4.372 4.120 -0.000 0.000 0.270 826 V C -2.064 174.084 176.094 0.090 0.000 1.037 826 V CA -1.651 60.736 62.300 0.143 0.000 0.872 826 V CB 1.081 32.981 31.823 0.129 0.000 1.002 826 V HN 0.491 nan 8.190 nan 0.000 0.464 827 P HA -0.109 nan 4.420 nan 0.000 0.255 827 P C 0.383 177.694 177.300 0.018 0.000 1.141 827 P CA 0.838 63.958 63.100 0.033 0.000 0.767 827 P CB -0.154 31.578 31.700 0.053 0.000 0.726 828 N N 3.006 121.686 118.700 -0.032 0.000 2.710 828 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 828 N C 0.443 175.959 175.510 0.010 0.000 1.059 828 N CA 1.119 54.153 53.050 -0.027 0.000 0.720 828 N CB -1.800 36.676 38.487 -0.019 0.000 0.983 828 N HN 0.649 nan 8.380 nan 0.000 0.544 829 A N -1.845 121.006 122.820 0.052 0.000 2.748 829 A HA -0.256 4.064 4.320 -0.000 0.000 0.297 829 A C 0.912 178.537 177.584 0.069 0.000 1.508 829 A CA 1.301 53.421 52.037 0.138 0.000 0.799 829 A CB -1.696 17.365 19.000 0.102 0.000 1.011 829 A HN 0.959 nan 8.150 nan 0.000 0.500 830 S N -0.572 115.163 115.700 0.059 0.000 2.585 830 S HA 0.532 5.002 4.470 -0.000 0.000 0.273 830 S C 1.263 175.794 174.600 -0.115 0.000 1.339 830 S CA 0.714 58.895 58.200 -0.030 0.000 1.028 830 S CB 0.658 63.868 63.200 0.016 0.000 0.906 830 S HN 1.561 nan 8.310 nan 0.000 0.528 831 T N 0.183 114.603 114.554 -0.223 0.000 3.252 831 T HA 0.273 4.623 4.350 -0.000 0.000 0.286 831 T C -0.043 174.598 174.700 -0.098 0.000 1.013 831 T CA -0.474 61.455 62.100 -0.285 0.000 0.914 831 T CB -0.289 68.302 68.868 -0.463 0.000 1.131 831 T HN 0.463 nan 8.240 nan 0.000 0.529 832 T N 3.542 118.076 114.554 -0.033 0.000 2.729 832 T HA 0.258 4.608 4.350 -0.000 0.000 0.296 832 T C -0.254 174.477 174.700 0.052 0.000 0.928 832 T CA -0.412 61.689 62.100 0.001 0.000 1.045 832 T CB 0.488 69.363 68.868 0.011 0.000 0.902 832 T HN 0.260 nan 8.240 nan 0.000 0.500 833 D N 2.346 122.772 120.400 0.044 0.000 2.533 833 D HA 0.328 4.968 4.640 -0.000 0.000 0.236 833 D C 1.407 177.813 176.300 0.176 0.000 1.137 833 D CA 1.371 55.437 54.000 0.111 0.000 0.867 833 D CB 0.504 41.318 40.800 0.023 0.000 1.170 833 D HN 0.878 nan 8.370 nan 0.000 0.474 834 G N 1.729 110.672 108.800 0.237 0.000 2.176 834 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 834 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 834 G C 0.460 175.446 174.900 0.145 0.000 0.986 834 G CA 0.070 45.284 45.100 0.189 0.000 0.643 834 G HN 0.562 nan 8.290 nan 0.000 0.522 835 T N 1.611 116.253 114.554 0.147 0.000 2.752 835 T HA 0.415 4.765 4.350 -0.000 0.000 0.295 835 T C 0.448 175.230 174.700 0.137 0.000 0.923 835 T CA 0.302 62.477 62.100 0.127 0.000 1.112 835 T CB 1.389 70.333 68.868 0.126 0.000 0.884 835 T HN 0.532 nan 8.240 nan 0.000 0.525 836 Q N 3.584 123.452 119.800 0.113 0.000 2.313 836 Q HA 0.329 4.669 4.340 -0.000 0.000 0.266 836 Q C 0.269 176.333 176.000 0.107 0.000 0.989 836 Q CA -0.738 55.128 55.803 0.106 0.000 0.890 836 Q CB 0.608 29.399 28.738 0.087 0.000 1.200 836 Q HN 0.642 nan 8.270 nan 0.000 0.396 837 V N 1.679 121.654 119.914 0.102 0.000 3.264 837 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 837 V C -0.350 175.796 176.094 0.087 0.000 1.086 837 V CA -0.264 62.099 62.300 0.106 0.000 1.090 837 V CB 1.092 32.959 31.823 0.072 0.000 1.112 837 V HN 1.017 nan 8.190 nan 0.000 0.472 838 Q N 1.700 121.566 119.800 0.109 0.000 2.857 838 Q HA 0.726 5.066 4.340 -0.000 0.000 0.319 838 Q C -1.512 174.586 176.000 0.162 0.000 0.963 838 Q CA -1.147 54.731 55.803 0.125 0.000 0.770 838 Q CB 2.221 31.040 28.738 0.135 0.000 1.492 838 Q HN 0.664 nan 8.270 nan 0.000 0.493 839 L N 1.298 122.630 121.223 0.180 0.000 2.295 839 L HA 0.657 4.997 4.340 -0.000 0.000 0.285 839 L C -1.339 175.688 176.870 0.262 0.000 1.035 839 L CA -0.793 54.167 54.840 0.201 0.000 0.806 839 L CB 1.035 43.182 42.059 0.145 0.000 1.214 839 L HN 0.633 nan 8.230 nan 0.000 0.426 840 Y N 1.576 121.944 120.300 0.113 0.000 2.581 840 Y HA 0.237 4.787 4.550 0.000 0.000 0.337 840 Y C -0.653 175.328 175.900 0.134 0.000 1.108 840 Y CA -1.137 57.035 58.100 0.120 0.000 1.033 840 Y CB 1.721 40.273 38.460 0.153 0.000 1.318 840 Y HN 0.540 nan 8.280 nan 0.000 0.459 841 D N 2.996 123.131 120.400 -0.442 0.000 2.533 841 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 841 D C -0.186 176.251 176.300 0.228 0.000 1.137 841 D CA 0.746 54.647 54.000 -0.164 0.000 0.867 841 D CB 0.511 41.110 40.800 -0.334 0.000 1.170 841 D HN 0.496 nan 8.370 nan 0.000 0.474 842 c N 4.588 123.295 118.600 0.178 0.000 2.653 842 c HA 0.216 4.786 4.570 -0.000 0.000 0.421 842 c C 0.607 174.867 174.090 0.283 0.000 1.334 842 c CA -0.200 56.246 56.329 0.195 0.000 1.885 842 c CB -0.900 41.671 42.510 0.102 0.000 2.645 842 c HN 0.692 nan 8.230 nan 0.000 0.601 843 H N -0.529 118.606 119.070 0.108 0.000 3.068 843 H HA 0.254 4.810 4.556 -0.000 0.000 0.342 843 H C -0.998 174.368 175.328 0.063 0.000 1.284 843 H CA -0.550 55.549 56.048 0.084 0.000 1.181 843 H CB 0.922 30.748 29.762 0.107 0.000 1.898 843 H HN 0.429 nan 8.280 nan 0.000 0.540 844 S N 0.966 116.726 115.700 0.099 0.000 3.024 844 S HA 0.503 4.973 4.470 -0.000 0.000 0.316 844 S C -0.326 174.286 174.600 0.020 0.000 1.197 844 S CA 0.111 58.326 58.200 0.024 0.000 1.097 844 S CB -1.880 61.347 63.200 0.045 0.000 1.471 844 S HN 0.827 nan 8.310 nan 0.000 0.543 845 A N 3.619 126.382 122.820 -0.095 0.000 2.437 845 A HA 0.528 4.848 4.320 -0.000 0.000 0.293 845 A C 1.072 178.572 177.584 -0.139 0.000 1.038 845 A CA -0.243 51.755 52.037 -0.064 0.000 0.708 845 A CB 0.587 19.585 19.000 -0.004 0.000 1.251 845 A HN 0.802 nan 8.150 nan 0.000 0.409 846 T N 0.455 114.952 114.554 -0.095 0.000 2.684 846 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 846 T C 1.279 175.761 174.700 -0.364 0.000 1.032 846 T CA 2.021 64.019 62.100 -0.170 0.000 1.155 846 T CB -0.789 68.052 68.868 -0.045 0.000 0.857 846 T HN 0.922 nan 8.240 nan 0.000 0.457 847 N N 1.172 119.726 118.700 -0.244 0.000 2.666 847 N HA -0.120 4.620 4.740 -0.000 0.000 0.194 847 N C 1.280 176.559 175.510 -0.386 0.000 1.220 847 N CA 0.700 53.537 53.050 -0.354 0.000 0.928 847 N CB -0.256 38.211 38.487 -0.034 0.000 0.997 847 N HN 0.671 nan 8.380 nan 0.000 0.447 848 Q N -0.980 118.591 119.800 -0.381 0.000 2.081 848 Q HA 0.168 4.508 4.340 -0.000 0.000 0.220 848 Q C -0.596 175.267 176.000 -0.229 0.000 0.775 848 Q CA -0.242 55.434 55.803 -0.211 0.000 0.983 848 Q CB 0.783 29.413 28.738 -0.180 0.000 1.188 848 Q HN 0.264 nan 8.270 nan 0.000 0.458 849 Q N 0.139 119.678 119.800 -0.435 0.000 2.360 849 Q HA 0.171 4.511 4.340 -0.000 0.000 0.254 849 Q C -1.285 174.429 176.000 -0.476 0.000 0.975 849 Q CA 0.282 55.905 55.803 -0.299 0.000 0.912 849 Q CB 0.480 29.082 28.738 -0.227 0.000 1.212 849 Q HN 0.111 nan 8.270 nan 0.000 0.452 850 W N 1.252 122.478 121.300 -0.123 0.000 2.573 850 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 850 W C 0.041 176.529 176.519 -0.051 0.000 1.049 850 W CA -0.519 56.758 57.345 -0.114 0.000 1.220 850 W CB 1.607 30.978 29.460 -0.150 0.000 1.373 850 W HN 0.188 nan 8.180 nan 0.000 0.507 851 T N 2.838 117.507 114.554 0.192 0.000 2.779 851 T HA 0.157 4.507 4.350 -0.000 0.000 0.280 851 T C -1.479 173.362 174.700 0.235 0.000 0.987 851 T CA -0.441 61.754 62.100 0.158 0.000 0.966 851 T CB 0.509 69.426 68.868 0.082 0.000 0.933 851 T HN 0.164 nan 8.240 nan 0.000 0.442 852 Y N 4.621 124.961 120.300 0.068 0.000 2.518 852 Y HA 0.353 4.903 4.550 -0.000 0.000 0.344 852 Y C 0.996 176.930 175.900 0.056 0.000 0.982 852 Y CA -1.295 56.840 58.100 0.060 0.000 1.234 852 Y CB -0.251 38.230 38.460 0.035 0.000 1.114 852 Y HN 0.737 nan 8.280 nan 0.000 0.515 853 T N 0.677 115.149 114.554 -0.135 0.000 2.813 853 T HA 0.061 4.411 4.350 -0.000 0.000 0.297 853 T C 0.873 175.377 174.700 -0.326 0.000 1.036 853 T CA -0.478 61.523 62.100 -0.164 0.000 1.044 853 T CB 0.811 69.634 68.868 -0.075 0.000 0.993 853 T HN 0.557 nan 8.240 nan 0.000 0.535 854 D N 0.808 121.099 120.400 -0.181 0.000 2.310 854 D HA 0.040 4.680 4.640 -0.000 0.000 0.212 854 D C 1.960 178.171 176.300 -0.149 0.000 0.965 854 D CA 1.045 54.950 54.000 -0.159 0.000 0.879 854 D CB -0.356 40.403 40.800 -0.070 0.000 0.921 854 D HN 0.758 nan 8.370 nan 0.000 0.510 855 A N -0.358 122.377 122.820 -0.142 0.000 2.218 855 A HA 0.415 4.735 4.320 -0.000 0.000 0.209 855 A C 1.735 179.235 177.584 -0.139 0.000 1.168 855 A CA 0.951 52.926 52.037 -0.104 0.000 0.804 855 A CB 0.069 19.028 19.000 -0.069 0.000 0.834 855 A HN 0.216 nan 8.150 nan 0.000 0.482 856 G N -0.546 108.099 108.800 -0.259 0.000 2.144 856 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 856 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 856 G C -0.229 174.687 174.900 0.026 0.000 0.988 856 G CA 0.175 45.147 45.100 -0.213 0.000 0.659 856 G HN 0.613 nan 8.290 nan 0.000 0.522 857 E N -0.460 119.746 120.200 0.010 0.000 2.283 857 E HA 0.646 4.995 4.350 -0.000 0.000 0.271 857 E C -0.043 176.749 176.600 0.320 0.000 1.031 857 E CA -0.722 55.803 56.400 0.207 0.000 0.868 857 E CB 1.561 31.330 29.700 0.114 0.000 1.094 857 E HN 0.198 nan 8.360 nan 0.000 0.401 858 L N 3.066 124.526 121.223 0.395 0.000 2.313 858 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 858 L C 0.043 177.158 176.870 0.409 0.000 1.028 858 L CA -0.355 54.675 54.840 0.316 0.000 0.871 858 L CB 0.494 42.522 42.059 -0.052 0.000 1.242 858 L HN 0.283 nan 8.230 nan 0.000 0.434 859 R N 2.020 122.710 120.500 0.316 0.000 2.457 859 R HA 0.672 5.012 4.340 -0.000 0.000 0.284 859 R C -0.863 175.429 176.300 -0.013 0.000 1.024 859 R CA -0.615 55.599 56.100 0.190 0.000 1.025 859 R CB 2.768 33.129 30.300 0.102 0.000 1.063 859 R HN 0.277 nan 8.270 nan 0.000 0.493 860 V N 3.271 123.031 119.914 -0.256 0.000 2.925 860 V HA 0.225 4.345 4.120 -0.000 0.000 0.311 860 V C -0.885 174.955 176.094 -0.424 0.000 1.104 860 V CA -0.406 61.441 62.300 -0.756 0.000 0.954 860 V CB 1.306 32.192 31.823 -1.562 0.000 1.022 860 V HN 0.923 nan 8.190 nan 0.000 0.427 861 Y N 3.668 123.819 120.300 -0.248 0.000 4.899 861 Y HA -0.246 4.304 4.550 0.000 0.000 0.241 861 Y C 1.745 177.590 175.900 -0.092 0.000 0.976 861 Y CA 1.634 59.645 58.100 -0.149 0.000 1.952 861 Y CB -1.924 36.460 38.460 -0.128 0.000 1.496 861 Y HN 1.745 nan 8.280 nan 0.000 0.545 862 G N -0.750 108.061 108.800 0.017 0.000 2.225 862 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 862 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 862 G C 0.448 175.377 174.900 0.047 0.000 0.988 862 G CA 0.813 45.929 45.100 0.026 0.000 0.625 862 G HN 0.558 nan 8.290 nan 0.000 0.527 863 D N -0.734 119.710 120.400 0.072 0.000 2.583 863 D HA 0.204 4.844 4.640 -0.000 0.000 0.282 863 D C 0.204 176.563 176.300 0.098 0.000 1.485 863 D CA -0.004 54.040 54.000 0.074 0.000 0.834 863 D CB 0.214 41.046 40.800 0.052 0.000 1.258 863 D HN 0.199 nan 8.370 nan 0.000 0.470 864 K N 0.324 120.800 120.400 0.126 0.000 2.182 864 K HA 0.535 4.855 4.320 -0.000 0.000 0.262 864 K C -0.722 175.993 176.600 0.192 0.000 0.957 864 K CA -0.498 55.888 56.287 0.166 0.000 0.842 864 K CB 1.771 34.418 32.500 0.245 0.000 1.099 864 K HN 0.008 nan 8.250 nan 0.000 0.438 865 c N 2.223 120.979 118.600 0.260 0.000 2.493 865 c HA 0.368 4.938 4.570 -0.000 0.000 0.326 865 c C -0.079 174.251 174.090 0.401 0.000 1.200 865 c CA -0.975 55.547 56.329 0.321 0.000 1.739 865 c CB 1.013 43.690 42.510 0.277 0.000 2.300 865 c HN 0.734 nan 8.230 nan 0.000 0.500 866 L N 4.000 125.486 121.223 0.438 0.000 2.513 866 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 866 L C 0.025 177.220 176.870 0.542 0.000 1.187 866 L CA 1.392 56.432 54.840 0.333 0.000 0.895 866 L CB -0.098 41.876 42.059 -0.142 0.000 1.147 866 L HN 0.673 nan 8.230 nan 0.000 0.483 867 D N 4.131 124.797 120.400 0.444 0.000 2.819 867 D HA 0.602 5.242 4.640 -0.000 0.000 0.232 867 D C -1.615 174.868 176.300 0.305 0.000 1.160 867 D CA -0.444 53.782 54.000 0.377 0.000 0.858 867 D CB 2.232 43.233 40.800 0.335 0.000 1.610 867 D HN 0.671 nan 8.370 nan 0.000 0.481 868 A N 1.955 124.896 122.820 0.202 0.000 2.304 868 A HA 0.670 4.990 4.320 -0.000 0.000 0.314 868 A C -0.272 177.344 177.584 0.053 0.000 1.187 868 A CA -0.522 51.600 52.037 0.142 0.000 0.810 868 A CB 1.265 20.333 19.000 0.113 0.000 1.183 868 A HN 0.510 nan 8.150 nan 0.000 0.487 869 A N 2.506 125.355 122.820 0.048 0.000 3.175 869 A HA 0.678 4.998 4.320 -0.000 0.000 0.289 869 A C 0.628 178.222 177.584 0.016 0.000 1.429 869 A CA 0.305 52.347 52.037 0.009 0.000 1.155 869 A CB -0.848 18.151 19.000 -0.001 0.000 1.169 869 A HN 2.457 nan 8.150 nan 0.000 0.574 870 G N -0.759 108.048 108.800 0.011 0.000 2.353 870 G HA2 0.367 4.327 3.960 -0.000 0.000 0.308 870 G HA3 0.367 4.327 3.960 -0.000 0.000 0.308 870 G C 0.065 174.967 174.900 0.003 0.000 1.418 870 G CA 0.270 45.376 45.100 0.010 0.000 0.966 870 G HN 0.966 nan 8.290 nan 0.000 0.638 871 T N -2.214 112.338 114.554 -0.004 0.000 3.003 871 T HA 0.546 4.896 4.350 -0.000 0.000 0.261 871 T C 1.227 175.919 174.700 -0.014 0.000 1.003 871 T CA 1.239 63.329 62.100 -0.016 0.000 0.917 871 T CB 0.703 69.555 68.868 -0.027 0.000 1.084 871 T HN 1.587 nan 8.240 nan 0.000 0.522 872 G N 1.241 110.038 108.800 -0.005 0.000 2.547 872 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 872 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 872 G C -0.618 174.278 174.900 -0.006 0.000 1.211 872 G CA -0.943 44.147 45.100 -0.017 0.000 0.950 872 G HN 0.325 nan 8.290 nan 0.000 0.504 873 N N -0.560 118.110 118.700 -0.050 0.000 2.492 873 N HA 0.402 5.142 4.740 -0.000 0.000 0.262 873 N C 1.114 176.700 175.510 0.128 0.000 1.202 873 N CA 1.421 54.452 53.050 -0.031 0.000 0.926 873 N CB 1.040 39.333 38.487 -0.323 0.000 1.078 873 N HN 1.029 nan 8.380 nan 0.000 0.454 874 G N 0.453 109.396 108.800 0.238 0.000 2.175 874 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 874 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 874 G C 0.142 175.115 174.900 0.121 0.000 0.982 874 G CA 0.143 45.353 45.100 0.184 0.000 0.641 874 G HN 0.617 nan 8.290 nan 0.000 0.527 875 T N 2.403 117.023 114.554 0.109 0.000 2.867 875 T HA 0.336 4.686 4.350 -0.000 0.000 0.297 875 T C 0.747 175.508 174.700 0.101 0.000 0.989 875 T CA 0.355 62.509 62.100 0.089 0.000 1.159 875 T CB 0.628 69.542 68.868 0.077 0.000 0.928 875 T HN 0.353 nan 8.240 nan 0.000 0.538 876 K N 2.774 123.227 120.400 0.088 0.000 2.416 876 K HA 0.235 4.555 4.320 -0.000 0.000 0.283 876 K C -0.294 176.370 176.600 0.106 0.000 1.037 876 K CA -0.395 55.946 56.287 0.090 0.000 0.995 876 K CB 0.601 33.149 32.500 0.080 0.000 0.938 876 K HN 0.302 nan 8.250 nan 0.000 0.475 877 V N 4.684 124.659 119.914 0.101 0.000 2.461 877 V HA 0.084 4.204 4.120 -0.000 0.000 0.275 877 V C 0.292 176.446 176.094 0.100 0.000 1.047 877 V CA -0.202 62.163 62.300 0.109 0.000 0.955 877 V CB 0.791 32.631 31.823 0.027 0.000 0.988 877 V HN 0.846 nan 8.190 nan 0.000 0.471 878 Q N 5.251 125.141 119.800 0.150 0.000 2.991 878 Q HA 0.777 5.117 4.340 -0.000 0.000 0.322 878 Q C -0.858 175.288 176.000 0.244 0.000 0.978 878 Q CA -1.109 54.800 55.803 0.177 0.000 0.787 878 Q CB 2.460 31.304 28.738 0.177 0.000 1.492 878 Q HN 0.640 nan 8.270 nan 0.000 0.498 879 I N -2.172 118.563 120.570 0.275 0.000 2.562 879 I HA 0.797 4.967 4.170 -0.000 0.000 0.301 879 I C -1.402 174.936 176.117 0.369 0.000 1.003 879 I CA -1.096 60.400 61.300 0.326 0.000 1.127 879 I CB 1.675 39.858 38.000 0.305 0.000 1.304 879 I HN 0.732 nan 8.210 nan 0.000 0.446 880 Y N 2.228 122.657 120.300 0.216 0.000 2.624 880 Y HA 0.414 4.964 4.550 -0.000 0.000 0.334 880 Y C -0.511 175.518 175.900 0.215 0.000 1.155 880 Y CA -0.716 57.504 58.100 0.199 0.000 1.046 880 Y CB 2.114 40.708 38.460 0.224 0.000 1.316 880 Y HN 0.767 nan 8.280 nan 0.000 0.457 881 S N 2.025 117.507 115.700 -0.363 0.000 2.558 881 S HA 0.060 4.530 4.470 -0.000 0.000 0.293 881 S C -0.517 174.217 174.600 0.225 0.000 1.292 881 S CA -0.127 58.002 58.200 -0.117 0.000 1.063 881 S CB -0.310 62.721 63.200 -0.281 0.000 0.831 881 S HN 0.613 nan 8.310 nan 0.000 0.499 882 c N 5.594 124.321 118.600 0.213 0.000 2.629 882 c HA 0.222 4.792 4.570 -0.000 0.000 0.410 882 c C 1.407 175.686 174.090 0.315 0.000 1.339 882 c CA -0.546 55.928 56.329 0.242 0.000 1.810 882 c CB -1.184 41.413 42.510 0.146 0.000 2.549 882 c HN 1.073 nan 8.230 nan 0.000 0.589 883 W N 1.345 122.717 121.300 0.119 0.000 2.079 883 W HA 0.376 5.036 4.660 0.000 0.000 0.285 883 W C 0.697 177.258 176.519 0.070 0.000 0.891 883 W CA 0.059 57.459 57.345 0.092 0.000 1.308 883 W CB -0.854 28.677 29.460 0.119 0.000 1.047 883 W HN 0.914 nan 8.180 nan 0.000 0.522 884 G N 1.562 110.116 108.800 -0.410 0.000 2.141 884 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 884 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 884 G C 0.613 175.034 174.900 -0.798 0.000 0.982 884 G CA -0.045 44.787 45.100 -0.447 0.000 0.662 884 G HN 0.683 nan 8.290 nan 0.000 0.527 885 G N -0.492 107.326 108.800 -1.637 0.000 2.594 885 G HA2 0.412 4.372 3.960 -0.000 0.000 0.243 885 G HA3 0.412 4.372 3.960 -0.000 0.000 0.243 885 G C 0.717 175.233 174.900 -0.640 0.000 1.229 885 G CA 0.422 44.657 45.100 -1.442 0.000 0.843 885 G HN 0.107 nan 8.290 nan 0.000 0.578 886 D N 0.333 120.494 120.400 -0.398 0.000 2.263 886 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 886 D C 2.025 178.107 176.300 -0.363 0.000 0.971 886 D CA 0.996 54.812 54.000 -0.306 0.000 0.867 886 D CB 0.115 40.798 40.800 -0.195 0.000 0.929 886 D HN 0.602 nan 8.370 nan 0.000 0.492 887 N N 0.464 118.976 118.700 -0.313 0.000 2.521 887 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 887 N C 0.797 176.070 175.510 -0.395 0.000 1.146 887 N CA 0.284 53.143 53.050 -0.318 0.000 0.893 887 N CB 0.022 38.432 38.487 -0.128 0.000 0.975 887 N HN 0.286 nan 8.380 nan 0.000 0.451 888 Q N -0.275 119.273 119.800 -0.420 0.000 2.149 888 Q HA 0.251 4.591 4.340 -0.000 0.000 0.221 888 Q C -0.502 175.273 176.000 -0.376 0.000 0.807 888 Q CA -0.049 55.600 55.803 -0.256 0.000 1.000 888 Q CB 0.971 29.614 28.738 -0.158 0.000 1.157 888 Q HN 0.275 nan 8.270 nan 0.000 0.487 889 K N 0.420 120.409 120.400 -0.685 0.000 2.221 889 K HA 0.469 4.789 4.320 -0.000 0.000 0.258 889 K C -1.405 174.736 176.600 -0.765 0.000 0.944 889 K CA -0.407 55.579 56.287 -0.501 0.000 0.823 889 K CB 1.350 33.675 32.500 -0.292 0.000 1.113 889 K HN -0.101 nan 8.250 nan 0.000 0.431 890 W N 1.109 122.439 121.300 0.052 0.000 2.950 890 W HA 0.482 5.142 4.660 -0.000 0.000 0.340 890 W C -0.307 176.285 176.519 0.122 0.000 1.139 890 W CA -0.877 56.498 57.345 0.049 0.000 1.188 890 W CB 1.079 30.536 29.460 -0.006 0.000 1.426 890 W HN 0.172 nan 8.180 nan 0.000 0.531 891 R N 2.037 122.694 120.500 0.262 0.000 2.387 891 R HA 0.526 4.866 4.340 -0.000 0.000 0.314 891 R C -0.833 175.514 176.300 0.078 0.000 0.958 891 R CA -0.949 55.254 56.100 0.172 0.000 0.846 891 R CB 1.285 31.639 30.300 0.090 0.000 1.147 891 R HN 0.427 nan 8.270 nan 0.000 0.447 892 L N 4.122 125.341 121.223 -0.007 0.000 2.315 892 L HA 0.263 4.603 4.340 -0.000 0.000 0.278 892 L C -0.053 176.801 176.870 -0.027 0.000 1.088 892 L CA -0.710 54.060 54.840 -0.118 0.000 0.899 892 L CB 0.063 41.922 42.059 -0.334 0.000 1.277 892 L HN 0.424 nan 8.230 nan 0.000 0.431 893 N N 0.894 119.598 118.700 0.007 0.000 2.479 893 N HA -0.021 4.719 4.740 -0.000 0.000 0.257 893 N C 1.288 176.803 175.510 0.009 0.000 1.232 893 N CA 0.130 53.193 53.050 0.020 0.000 0.920 893 N CB 1.451 39.958 38.487 0.033 0.000 1.105 893 N HN 0.541 nan 8.380 nan 0.000 0.444 894 S N -0.054 115.650 115.700 0.007 0.000 2.442 894 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 894 S C 0.992 175.592 174.600 0.002 0.000 1.007 894 S CA 0.967 59.167 58.200 0.000 0.000 0.965 894 S CB -0.155 63.043 63.200 -0.003 0.000 0.773 894 S HN 0.718 nan 8.310 nan 0.000 0.504 895 D N 0.958 121.362 120.400 0.007 0.000 2.352 895 D HA 0.148 4.788 4.640 -0.000 0.000 0.232 895 D C 1.424 177.727 176.300 0.004 0.000 1.055 895 D CA 0.750 54.752 54.000 0.003 0.000 0.891 895 D CB -0.729 40.075 40.800 0.007 0.000 0.897 895 D HN 0.610 nan 8.370 nan 0.000 0.529 896 G N 0.119 108.928 108.800 0.015 0.000 2.195 896 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 896 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 896 G C 0.410 175.368 174.900 0.097 0.000 0.984 896 G CA 0.452 45.571 45.100 0.031 0.000 0.633 896 G HN 0.827 nan 8.290 nan 0.000 0.525 897 S N -0.262 115.493 115.700 0.091 0.000 2.632 897 S HA 0.759 5.229 4.470 -0.000 0.000 0.267 897 S C 0.026 174.702 174.600 0.127 0.000 1.276 897 S CA -0.532 57.762 58.200 0.156 0.000 0.998 897 S CB 1.851 65.114 63.200 0.105 0.000 0.953 897 S HN 0.666 nan 8.310 nan 0.000 0.547 898 I N 1.962 122.612 120.570 0.132 0.000 2.466 898 I HA 0.305 4.475 4.170 -0.000 0.000 0.279 898 I C -1.032 175.159 176.117 0.123 0.000 1.033 898 I CA -0.798 60.507 61.300 0.008 0.000 1.123 898 I CB 1.650 39.478 38.000 -0.288 0.000 1.237 898 I HN 0.401 nan 8.210 nan 0.000 0.460 899 V N 4.387 124.398 119.914 0.162 0.000 2.539 899 V HA 0.513 4.633 4.120 -0.000 0.000 0.292 899 V C 0.883 177.119 176.094 0.237 0.000 1.045 899 V CA -0.621 61.787 62.300 0.181 0.000 0.945 899 V CB 1.653 33.526 31.823 0.084 0.000 0.993 899 V HN 0.812 nan 8.190 nan 0.000 0.464 900 G N 2.269 111.164 108.800 0.157 0.000 2.355 900 G HA2 0.389 4.349 3.960 -0.000 0.000 0.276 900 G HA3 0.389 4.349 3.960 -0.000 0.000 0.276 900 G C 0.856 175.629 174.900 -0.212 0.000 1.198 900 G CA -0.312 44.673 45.100 -0.191 0.000 0.876 900 G HN 0.552 nan 8.290 nan 0.000 0.478 901 V N 2.193 121.924 119.914 -0.306 0.000 2.287 901 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 901 V C 2.851 178.833 176.094 -0.186 0.000 1.053 901 V CA 2.410 64.582 62.300 -0.214 0.000 1.027 901 V CB -0.611 31.076 31.823 -0.227 0.000 0.646 901 V HN 0.855 nan 8.190 nan 0.000 0.447 902 Q N 0.131 119.792 119.800 -0.231 0.000 2.083 902 Q HA -0.177 4.162 4.340 -0.000 0.000 0.198 902 Q C 2.396 178.326 176.000 -0.117 0.000 0.969 902 Q CA 2.083 57.790 55.803 -0.159 0.000 0.838 902 Q CB -0.055 28.582 28.738 -0.169 0.000 0.900 902 Q HN 0.783 nan 8.270 nan 0.000 0.436 903 S N -1.750 113.873 115.700 -0.129 0.000 2.421 903 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 903 S C 1.513 176.079 174.600 -0.056 0.000 1.035 903 S CA 0.753 58.908 58.200 -0.076 0.000 0.953 903 S CB 0.172 63.339 63.200 -0.054 0.000 0.810 903 S HN 0.652 nan 8.310 nan 0.000 0.497 904 G N 0.636 109.401 108.800 -0.059 0.000 2.148 904 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.254 904 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.254 904 G C -0.234 174.662 174.900 -0.007 0.000 0.981 904 G CA 0.474 45.552 45.100 -0.038 0.000 0.670 904 G HN 0.499 nan 8.290 nan 0.000 0.528 905 L N -0.030 121.202 121.223 0.015 0.000 2.352 905 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 905 L C 0.930 177.875 176.870 0.124 0.000 1.034 905 L CA -0.731 54.142 54.840 0.054 0.000 0.806 905 L CB 1.556 43.644 42.059 0.048 0.000 1.244 905 L HN 0.204 nan 8.230 nan 0.000 0.447 906 c N 1.587 120.272 118.600 0.143 0.000 2.364 906 c HA 0.462 5.032 4.570 -0.000 0.000 0.356 906 c C 0.339 174.552 174.090 0.205 0.000 1.201 906 c CA -1.109 55.327 56.329 0.179 0.000 2.227 906 c CB 0.629 43.238 42.510 0.165 0.000 2.387 906 c HN 0.521 nan 8.230 nan 0.000 0.546 907 L N 3.383 124.715 121.223 0.181 0.000 2.462 907 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 907 L C 0.202 177.258 176.870 0.310 0.000 1.166 907 L CA 0.923 55.837 54.840 0.124 0.000 0.880 907 L CB 0.028 41.961 42.059 -0.211 0.000 1.142 907 L HN 0.676 nan 8.230 nan 0.000 0.473 908 D N 3.324 123.868 120.400 0.241 0.000 2.757 908 D HA 0.349 4.989 4.640 -0.000 0.000 0.249 908 D C -0.681 175.709 176.300 0.150 0.000 1.168 908 D CA -0.504 53.614 54.000 0.197 0.000 0.870 908 D CB 2.188 43.077 40.800 0.148 0.000 1.411 908 D HN 0.512 nan 8.370 nan 0.000 0.525 909 A N 3.944 126.832 122.820 0.112 0.000 2.438 909 A HA 0.334 4.654 4.320 -0.000 0.000 0.280 909 A C 0.615 178.201 177.584 0.002 0.000 1.160 909 A CA -0.394 51.684 52.037 0.069 0.000 0.821 909 A CB -0.026 18.972 19.000 -0.003 0.000 1.101 909 A HN 0.464 nan 8.150 nan 0.000 0.515 910 V N 2.964 122.885 119.914 0.012 0.000 2.790 910 V HA 0.146 4.266 4.120 -0.000 0.000 0.304 910 V C 1.774 177.837 176.094 -0.052 0.000 1.142 910 V CA 1.681 63.965 62.300 -0.026 0.000 1.282 910 V CB -0.310 31.515 31.823 0.003 0.000 0.877 910 V HN 1.886 nan 8.190 nan 0.000 0.504 911 G N 3.810 112.554 108.800 -0.094 0.000 2.337 911 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.290 911 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.290 911 G C 1.144 175.997 174.900 -0.079 0.000 1.003 911 G CA 0.747 45.794 45.100 -0.089 0.000 0.825 911 G HN 2.520 nan 8.290 nan 0.000 0.509 912 G N -1.609 107.138 108.800 -0.089 0.000 2.233 912 G HA2 0.128 4.088 3.960 -0.000 0.000 0.270 912 G HA3 0.128 4.088 3.960 -0.000 0.000 0.270 912 G C 1.335 176.196 174.900 -0.065 0.000 1.011 912 G CA 0.987 46.037 45.100 -0.084 0.000 0.762 912 G HN 2.070 nan 8.290 nan 0.000 0.511 913 G N -1.461 107.311 108.800 -0.047 0.000 2.699 913 G HA2 0.532 4.492 3.960 -0.000 0.000 0.246 913 G HA3 0.532 4.492 3.960 -0.000 0.000 0.246 913 G C 1.038 175.915 174.900 -0.037 0.000 1.219 913 G CA 1.094 46.175 45.100 -0.032 0.000 0.866 913 G HN 1.422 nan 8.290 nan 0.000 0.572 914 T N -3.515 111.020 114.554 -0.030 0.000 3.131 914 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 914 T C 0.790 175.476 174.700 -0.024 0.000 0.906 914 T CA 0.676 62.754 62.100 -0.037 0.000 0.882 914 T CB 0.010 68.846 68.868 -0.054 0.000 1.208 914 T HN 1.039 nan 8.240 nan 0.000 0.561 915 A N 1.929 124.742 122.820 -0.013 0.000 2.322 915 A HA 0.652 4.972 4.320 -0.000 0.000 0.269 915 A C 0.047 177.639 177.584 0.013 0.000 1.094 915 A CA -0.591 51.440 52.037 -0.011 0.000 0.807 915 A CB -0.163 18.833 19.000 -0.006 0.000 1.047 915 A HN 0.455 nan 8.150 nan 0.000 0.487 916 N N 0.217 118.915 118.700 -0.003 0.000 2.356 916 N HA 0.336 5.076 4.740 -0.000 0.000 0.252 916 N C 1.135 176.723 175.510 0.130 0.000 1.241 916 N CA 1.912 54.998 53.050 0.060 0.000 0.861 916 N CB 0.361 38.835 38.487 -0.022 0.000 1.075 916 N HN 1.260 nan 8.380 nan 0.000 0.461 917 G N 0.258 109.171 108.800 0.188 0.000 2.176 917 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.232 917 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.232 917 G C 0.123 175.085 174.900 0.103 0.000 0.986 917 G CA 0.105 45.291 45.100 0.143 0.000 0.643 917 G HN 0.642 nan 8.290 nan 0.000 0.522 918 T N 2.527 117.137 114.554 0.094 0.000 2.867 918 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 918 T C 0.991 175.742 174.700 0.086 0.000 0.989 918 T CA 0.183 62.326 62.100 0.072 0.000 1.159 918 T CB 0.812 69.715 68.868 0.058 0.000 0.928 918 T HN 0.353 nan 8.240 nan 0.000 0.538 919 L N 3.949 125.214 121.223 0.070 0.000 2.418 919 L HA 0.419 4.759 4.340 -0.000 0.000 0.265 919 L C 0.318 177.233 176.870 0.074 0.000 1.143 919 L CA -0.959 53.924 54.840 0.072 0.000 0.809 919 L CB 0.445 42.541 42.059 0.062 0.000 1.124 919 L HN 0.389 nan 8.230 nan 0.000 0.456 920 I N 1.735 122.346 120.570 0.068 0.000 2.437 920 I HA 0.372 4.542 4.170 -0.000 0.000 0.298 920 I C 0.041 176.196 176.117 0.063 0.000 0.984 920 I CA -0.263 61.075 61.300 0.064 0.000 1.214 920 I CB 1.488 39.484 38.000 -0.007 0.000 1.365 920 I HN 0.754 nan 8.210 nan 0.000 0.469 921 Q N 5.139 124.990 119.800 0.086 0.000 2.831 921 Q HA 0.728 5.068 4.340 -0.000 0.000 0.322 921 Q C -1.864 174.226 176.000 0.150 0.000 0.923 921 Q CA -1.023 54.847 55.803 0.112 0.000 0.767 921 Q CB 2.367 31.175 28.738 0.117 0.000 1.469 921 Q HN 0.446 nan 8.270 nan 0.000 0.496 922 L N 0.986 122.316 121.223 0.178 0.000 2.317 922 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 922 L C -1.381 175.645 176.870 0.259 0.000 1.024 922 L CA -0.882 54.076 54.840 0.197 0.000 0.810 922 L CB 1.272 43.425 42.059 0.156 0.000 1.240 922 L HN 0.649 nan 8.230 nan 0.000 0.427 923 Y N 0.222 120.565 120.300 0.072 0.000 2.592 923 Y HA 0.194 4.744 4.550 -0.000 0.000 0.334 923 Y C -0.065 175.863 175.900 0.047 0.000 1.136 923 Y CA -0.768 57.363 58.100 0.052 0.000 1.042 923 Y CB 2.030 40.519 38.460 0.048 0.000 1.325 923 Y HN 0.503 nan 8.280 nan 0.000 0.457 924 S N 2.572 118.110 115.700 -0.270 0.000 2.673 924 S HA -0.024 4.446 4.470 -0.000 0.000 0.308 924 S C -0.267 174.382 174.600 0.082 0.000 1.246 924 S CA 0.009 58.147 58.200 -0.104 0.000 1.077 924 S CB -0.695 62.394 63.200 -0.186 0.000 0.814 924 S HN 0.615 nan 8.310 nan 0.000 0.503 925 c N 4.890 123.531 118.600 0.068 0.000 2.437 925 c HA 0.179 4.749 4.570 -0.000 0.000 0.399 925 c C 1.074 175.210 174.090 0.078 0.000 1.478 925 c CA -0.212 56.169 56.329 0.086 0.000 1.538 925 c CB -1.345 41.201 42.510 0.060 0.000 2.506 925 c HN 0.790 nan 8.230 nan 0.000 0.603 926 S N 2.775 118.524 115.700 0.082 0.000 2.571 926 S HA 0.256 4.726 4.470 -0.000 0.000 0.284 926 S C 0.517 175.130 174.600 0.023 0.000 1.128 926 S CA -0.665 57.568 58.200 0.054 0.000 0.970 926 S CB 1.169 64.411 63.200 0.069 0.000 1.039 926 S HN 0.765 nan 8.310 nan 0.000 0.485 927 N N 1.857 120.561 118.700 0.007 0.000 2.696 927 N HA -0.046 4.694 4.740 -0.000 0.000 0.196 927 N C 0.932 176.420 175.510 -0.037 0.000 1.220 927 N CA 0.194 53.236 53.050 -0.013 0.000 0.940 927 N CB -0.234 38.245 38.487 -0.014 0.000 0.999 927 N HN 0.774 nan 8.380 nan 0.000 0.447 928 G N 0.366 109.145 108.800 -0.036 0.000 2.559 928 G HA2 0.043 4.003 3.960 -0.000 0.000 0.235 928 G HA3 0.043 4.003 3.960 -0.000 0.000 0.235 928 G C 1.030 175.862 174.900 -0.113 0.000 1.266 928 G CA -0.028 45.034 45.100 -0.064 0.000 0.847 928 G HN 0.274 nan 8.290 nan 0.000 0.583 929 S N 0.541 116.160 115.700 -0.134 0.000 2.474 929 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 929 S C 1.658 176.082 174.600 -0.294 0.000 0.997 929 S CA 0.940 59.022 58.200 -0.195 0.000 0.949 929 S CB -0.193 62.911 63.200 -0.160 0.000 0.766 929 S HN 0.769 nan 8.310 nan 0.000 0.517 930 N N 0.933 119.489 118.700 -0.240 0.000 2.370 930 N HA 0.035 4.775 4.740 -0.000 0.000 0.198 930 N C 0.771 176.106 175.510 -0.292 0.000 1.156 930 N CA 0.078 52.963 53.050 -0.275 0.000 0.839 930 N CB -0.132 38.261 38.487 -0.157 0.000 0.989 930 N HN 0.607 nan 8.380 nan 0.000 0.468 931 Q N -0.729 118.878 119.800 -0.321 0.000 2.081 931 Q HA 0.258 4.598 4.340 -0.000 0.000 0.220 931 Q C -0.436 175.379 176.000 -0.308 0.000 0.775 931 Q CA -0.328 55.382 55.803 -0.155 0.000 0.983 931 Q CB 1.120 29.870 28.738 0.020 0.000 1.188 931 Q HN 0.099 nan 8.270 nan 0.000 0.458 932 R N -0.162 119.996 120.500 -0.569 0.000 2.428 932 R HA 0.418 4.758 4.340 -0.000 0.000 0.294 932 R C -1.484 174.331 176.300 -0.808 0.000 1.000 932 R CA 0.257 56.093 56.100 -0.441 0.000 0.960 932 R CB 0.769 30.921 30.300 -0.248 0.000 1.076 932 R HN -0.062 nan 8.270 nan 0.000 0.475 933 W N -0.021 121.225 121.300 -0.089 0.000 3.031 933 W HA 0.525 5.185 4.660 -0.000 0.000 0.337 933 W C -0.723 175.741 176.519 -0.092 0.000 1.187 933 W CA -0.617 56.666 57.345 -0.104 0.000 1.166 933 W CB 1.741 31.109 29.460 -0.152 0.000 1.437 933 W HN 0.248 nan 8.180 nan 0.000 0.551 934 T N 2.766 117.406 114.554 0.144 0.000 2.841 934 T HA 0.429 4.779 4.350 -0.000 0.000 0.285 934 T C -0.128 174.605 174.700 0.056 0.000 0.991 934 T CA -0.965 61.173 62.100 0.063 0.000 0.966 934 T CB 1.063 69.945 68.868 0.024 0.000 0.962 934 T HN 0.069 nan 8.240 nan 0.000 0.438 935 R N 1.936 122.451 120.500 0.026 0.000 2.641 935 R HA 0.715 5.055 4.340 -0.000 0.000 0.269 935 R C 0.088 176.403 176.300 0.026 0.000 1.074 935 R CA -0.126 55.984 56.100 0.016 0.000 1.133 935 R CB 0.521 30.821 30.300 0.000 0.000 1.029 935 R HN 0.714 nan 8.270 nan 0.000 0.488 936 T N 0.000 114.573 114.554 0.031 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 0.030 0.000 1.349 936 T CB 0.000 68.888 68.868 0.034 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658