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 1isy_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 0.000 177.581 177.584 -0.005 0.000 1.274 501 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 501 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 502 E N 0.323 120.518 120.200 -0.007 0.000 2.499 502 E HA -0.126 4.224 4.350 -0.000 0.000 0.207 502 E C 1.080 177.672 176.600 -0.014 0.000 1.175 502 E CA 1.236 57.627 56.400 -0.015 0.000 0.932 502 E CB -0.406 29.285 29.700 -0.015 0.000 0.906 502 E HN 0.690 nan 8.360 nan 0.000 0.556 503 S N -0.438 115.260 115.700 -0.003 0.000 2.524 503 S HA -0.009 4.461 4.470 -0.000 0.000 0.216 503 S C 0.905 175.529 174.600 0.039 0.000 0.987 503 S CA 0.182 58.392 58.200 0.016 0.000 0.909 503 S CB 0.011 63.219 63.200 0.013 0.000 0.781 503 S HN 0.366 nan 8.310 nan 0.000 0.521 504 T N -1.218 113.339 114.554 0.006 0.000 2.924 504 T HA 0.645 4.994 4.350 -0.000 0.000 0.291 504 T C 0.941 175.587 174.700 -0.090 0.000 1.045 504 T CA -0.965 61.136 62.100 0.000 0.000 1.015 504 T CB 1.224 70.076 68.868 -0.027 0.000 1.103 504 T HN 0.022 nan 8.240 nan 0.000 0.496 505 L N 1.280 122.386 121.223 -0.195 0.000 2.012 505 L HA 0.056 4.395 4.340 -0.000 0.000 0.210 505 L C 2.995 179.798 176.870 -0.111 0.000 1.073 505 L CA 1.903 56.517 54.840 -0.376 0.000 0.748 505 L CB -1.142 40.461 42.059 -0.760 0.000 0.891 505 L HN 0.981 nan 8.230 nan 0.000 0.431 506 G N -0.366 108.439 108.800 0.008 0.000 2.421 506 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 506 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 506 G C 1.776 176.734 174.900 0.096 0.000 1.171 506 G CA 0.875 46.067 45.100 0.154 0.000 0.775 506 G HN 0.471 nan 8.290 nan 0.000 0.543 507 A N 1.040 123.881 122.820 0.035 0.000 1.933 507 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 507 A C 2.796 180.392 177.584 0.019 0.000 1.175 507 A CA 2.262 54.314 52.037 0.025 0.000 0.628 507 A CB -0.714 18.289 19.000 0.005 0.000 0.814 507 A HN 0.783 nan 8.150 nan 0.000 0.444 508 A N -0.142 122.675 122.820 -0.005 0.000 1.898 508 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 508 A C 2.504 180.100 177.584 0.020 0.000 1.181 508 A CA 1.927 53.956 52.037 -0.014 0.000 0.620 508 A CB -1.017 17.944 19.000 -0.065 0.000 0.819 508 A HN 1.051 nan 8.150 nan 0.000 0.442 509 A N -0.052 122.804 122.820 0.060 0.000 1.940 509 A HA 0.136 4.456 4.320 -0.000 0.000 0.219 509 A C 2.425 180.056 177.584 0.079 0.000 1.176 509 A CA 2.012 54.113 52.037 0.107 0.000 0.631 509 A CB -0.935 18.200 19.000 0.225 0.000 0.814 509 A HN 1.107 nan 8.150 nan 0.000 0.446 510 A N -0.894 121.975 122.820 0.082 0.000 2.070 510 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 510 A C 1.955 179.565 177.584 0.043 0.000 1.159 510 A CA 1.371 53.449 52.037 0.070 0.000 0.656 510 A CB -0.482 18.559 19.000 0.069 0.000 0.800 510 A HN 0.671 nan 8.150 nan 0.000 0.453 511 Q N -0.053 119.766 119.800 0.032 0.000 2.437 511 Q HA -0.073 4.267 4.340 -0.000 0.000 0.210 511 Q C 1.336 177.347 176.000 0.017 0.000 0.972 511 Q CA 1.242 57.056 55.803 0.019 0.000 0.903 511 Q CB -0.067 28.677 28.738 0.010 0.000 0.967 511 Q HN 0.795 nan 8.270 nan 0.000 0.486 512 S N -2.576 113.136 115.700 0.021 0.000 2.749 512 S HA 0.370 4.840 4.470 -0.000 0.000 0.246 512 S C 0.996 175.606 174.600 0.016 0.000 1.023 512 S CA 0.043 58.252 58.200 0.014 0.000 1.012 512 S CB 1.048 64.253 63.200 0.009 0.000 0.942 512 S HN 0.375 nan 8.310 nan 0.000 0.531 513 G N 1.527 110.343 108.800 0.028 0.000 2.143 513 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 513 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 513 G C 0.058 174.983 174.900 0.043 0.000 0.991 513 G CA 0.156 45.278 45.100 0.037 0.000 0.689 513 G HN 0.634 nan 8.290 nan 0.000 0.522 514 R N -1.086 119.433 120.500 0.031 0.000 2.875 514 R HA 0.721 5.061 4.340 -0.000 0.000 0.251 514 R C 0.031 176.371 176.300 0.067 0.000 1.123 514 R CA -0.736 55.354 56.100 -0.016 0.000 1.064 514 R CB 0.890 31.135 30.300 -0.093 0.000 1.205 514 R HN 0.458 nan 8.270 nan 0.000 0.503 515 Y N -1.314 119.045 120.300 0.099 0.000 2.587 515 Y HA 0.705 5.255 4.550 -0.000 0.000 0.337 515 Y C -1.193 174.820 175.900 0.188 0.000 1.065 515 Y CA -1.789 56.391 58.100 0.133 0.000 1.126 515 Y CB 1.060 39.574 38.460 0.091 0.000 1.279 515 Y HN 0.429 nan 8.280 nan 0.000 0.489 516 F N 1.345 121.548 119.950 0.422 0.000 2.579 516 F HA 0.775 5.302 4.527 -0.000 0.000 0.325 516 F C -0.085 176.045 175.800 0.550 0.000 1.162 516 F CA -0.779 57.462 58.000 0.402 0.000 0.946 516 F CB 1.626 40.795 39.000 0.281 0.000 1.211 516 F HN 0.953 nan 8.300 nan 0.000 0.447 517 G N 1.969 111.001 108.800 0.386 0.000 3.108 517 G HA2 0.644 4.604 3.960 -0.000 0.000 0.268 517 G HA3 0.644 4.604 3.960 -0.000 0.000 0.268 517 G C -1.344 173.400 174.900 -0.260 0.000 1.361 517 G CA -0.674 44.548 45.100 0.205 0.000 1.047 517 G HN 0.665 nan 8.290 nan 0.000 0.540 518 T N -2.142 112.099 114.554 -0.521 0.000 2.787 518 T HA 0.633 4.983 4.350 -0.000 0.000 0.297 518 T C -1.150 173.295 174.700 -0.425 0.000 1.221 518 T CA 0.225 61.931 62.100 -0.658 0.000 1.006 518 T CB 1.327 69.399 68.868 -1.327 0.000 1.328 518 T HN 1.316 nan 8.240 nan 0.000 0.509 519 A N 2.568 125.087 122.820 -0.501 0.000 2.274 519 A HA 0.711 5.031 4.320 -0.000 0.000 0.309 519 A C -0.455 176.861 177.584 -0.447 0.000 1.226 519 A CA -0.594 51.034 52.037 -0.682 0.000 0.853 519 A CB 0.077 18.167 19.000 -1.518 0.000 1.146 519 A HN 0.648 nan 8.150 nan 0.000 0.518 520 I N 1.795 122.176 120.570 -0.315 0.000 2.412 520 I HA 0.521 4.690 4.170 -0.000 0.000 0.296 520 I C 0.534 176.554 176.117 -0.162 0.000 0.987 520 I CA -0.303 60.886 61.300 -0.183 0.000 1.180 520 I CB 1.398 39.280 38.000 -0.196 0.000 1.340 520 I HN 0.703 nan 8.210 nan 0.000 0.455 521 A N 4.046 126.790 122.820 -0.126 0.000 2.287 521 A HA 0.473 4.793 4.320 -0.000 0.000 0.317 521 A C 0.967 178.435 177.584 -0.195 0.000 1.220 521 A CA -0.267 51.668 52.037 -0.170 0.000 0.835 521 A CB 0.818 19.691 19.000 -0.212 0.000 1.180 521 A HN 0.825 nan 8.150 nan 0.000 0.500 522 S N 2.518 118.145 115.700 -0.122 0.000 2.383 522 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 522 S C 1.708 176.227 174.600 -0.134 0.000 1.030 522 S CA 1.640 59.778 58.200 -0.104 0.000 1.002 522 S CB -0.605 62.582 63.200 -0.021 0.000 0.829 522 S HN 1.275 nan 8.310 nan 0.000 0.467 523 G N 0.996 109.712 108.800 -0.140 0.000 2.708 523 G HA2 0.024 3.984 3.960 -0.000 0.000 0.210 523 G HA3 0.024 3.984 3.960 -0.000 0.000 0.210 523 G C 1.283 176.049 174.900 -0.223 0.000 1.141 523 G CA 0.219 45.234 45.100 -0.142 0.000 0.788 523 G HN 0.609 nan 8.290 nan 0.000 0.531 524 K N -0.465 119.714 120.400 -0.369 0.000 2.358 524 K HA 0.349 4.669 4.320 -0.000 0.000 0.200 524 K C 1.811 178.135 176.600 -0.460 0.000 1.030 524 K CA -0.333 55.596 56.287 -0.596 0.000 1.097 524 K CB 0.317 32.058 32.500 -1.266 0.000 0.862 524 K HN 0.193 nan 8.250 nan 0.000 0.534 525 L N 0.258 121.313 121.223 -0.281 0.000 2.362 525 L HA -0.061 4.279 4.340 -0.000 0.000 0.219 525 L C 1.972 178.810 176.870 -0.054 0.000 1.134 525 L CA 1.088 55.822 54.840 -0.177 0.000 0.807 525 L CB -0.306 41.613 42.059 -0.233 0.000 0.927 525 L HN 0.300 nan 8.230 nan 0.000 0.447 526 G N -1.573 107.189 108.800 -0.064 0.000 2.985 526 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.209 526 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.209 526 G C 0.322 175.218 174.900 -0.008 0.000 1.165 526 G CA -0.161 44.929 45.100 -0.017 0.000 0.776 526 G HN 0.167 nan 8.290 nan 0.000 0.541 527 D N 0.554 120.940 120.400 -0.023 0.000 2.411 527 D HA 0.288 4.928 4.640 -0.000 0.000 0.225 527 D C 1.347 177.690 176.300 0.071 0.000 1.156 527 D CA -0.198 53.805 54.000 0.006 0.000 0.874 527 D CB 1.168 41.946 40.800 -0.037 0.000 1.034 527 D HN -0.055 nan 8.370 nan 0.000 0.502 528 S N 2.678 118.411 115.700 0.055 0.000 2.374 528 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 528 S C 1.944 176.579 174.600 0.058 0.000 1.037 528 S CA 1.454 59.691 58.200 0.062 0.000 1.024 528 S CB -0.021 63.204 63.200 0.040 0.000 0.861 528 S HN 0.711 nan 8.310 nan 0.000 0.456 529 A N 0.124 122.974 122.820 0.049 0.000 1.933 529 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 529 A C 1.934 179.537 177.584 0.032 0.000 1.175 529 A CA 1.591 53.645 52.037 0.027 0.000 0.628 529 A CB -0.846 18.170 19.000 0.027 0.000 0.814 529 A HN 0.610 nan 8.150 nan 0.000 0.444 530 Y N 1.675 121.936 120.300 -0.065 0.000 2.133 530 Y HA -0.220 4.330 4.550 -0.000 0.000 0.287 530 Y C 2.942 178.795 175.900 -0.079 0.000 1.134 530 Y CA 2.683 60.728 58.100 -0.092 0.000 1.133 530 Y CB -0.643 37.749 38.460 -0.112 0.000 0.987 530 Y HN 0.430 nan 8.280 nan 0.000 0.502 531 T N -3.566 111.029 114.554 0.069 0.000 2.867 531 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 531 T C 1.789 176.561 174.700 0.120 0.000 1.057 531 T CA 1.657 63.816 62.100 0.098 0.000 1.136 531 T CB -1.018 68.008 68.868 0.264 0.000 0.874 531 T HN 0.337 nan 8.240 nan 0.000 0.466 532 T N 2.285 116.862 114.554 0.039 0.000 2.708 532 T HA 0.077 4.427 4.350 -0.000 0.000 0.266 532 T C 1.905 176.559 174.700 -0.076 0.000 1.037 532 T CA 1.451 63.550 62.100 -0.001 0.000 1.146 532 T CB -0.435 68.419 68.868 -0.023 0.000 0.865 532 T HN 0.408 nan 8.240 nan 0.000 0.435 533 I N 1.215 121.676 120.570 -0.181 0.000 2.202 533 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 533 I C 2.952 178.914 176.117 -0.258 0.000 1.091 533 I CA 1.089 62.177 61.300 -0.353 0.000 1.368 533 I CB -0.534 37.088 38.000 -0.631 0.000 1.058 533 I HN 0.189 nan 8.210 nan 0.000 0.410 534 A N -0.096 122.638 122.820 -0.144 0.000 1.877 534 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 534 A C 2.513 180.316 177.584 0.365 0.000 1.186 534 A CA 2.351 54.483 52.037 0.157 0.000 0.620 534 A CB -0.876 18.041 19.000 -0.139 0.000 0.822 534 A HN 0.398 nan 8.150 nan 0.000 0.443 535 S N -0.916 114.982 115.700 0.330 0.000 2.383 535 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 535 S C 2.228 176.834 174.600 0.011 0.000 1.026 535 S CA 1.456 59.740 58.200 0.140 0.000 0.981 535 S CB -0.373 62.850 63.200 0.039 0.000 0.818 535 S HN 0.615 nan 8.310 nan 0.000 0.472 536 R N 0.339 120.818 120.500 -0.034 0.000 2.075 536 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 536 R C 1.799 178.019 176.300 -0.134 0.000 1.126 536 R CA 1.577 57.628 56.100 -0.082 0.000 0.963 536 R CB -0.167 30.076 30.300 -0.096 0.000 0.858 536 R HN 0.363 nan 8.270 nan 0.000 0.435 537 E N -0.466 119.562 120.200 -0.287 0.000 2.318 537 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 537 E C -0.190 176.039 176.600 -0.618 0.000 0.998 537 E CA 0.506 56.584 56.400 -0.537 0.000 0.859 537 E CB 0.250 29.421 29.700 -0.881 0.000 0.812 537 E HN 0.148 nan 8.360 nan 0.000 0.492 538 F N 1.255 121.290 119.950 0.141 0.000 2.538 538 F HA 0.256 4.783 4.527 -0.000 0.000 0.325 538 F C 0.904 176.781 175.800 0.128 0.000 1.066 538 F CA -1.211 56.906 58.000 0.194 0.000 0.946 538 F CB 0.896 40.023 39.000 0.212 0.000 1.199 538 F HN -0.194 nan 8.300 nan 0.000 0.473 539 N N 0.480 119.382 118.700 0.337 0.000 2.238 539 N HA 0.355 5.095 4.740 -0.000 0.000 0.235 539 N C -0.730 174.845 175.510 0.109 0.000 1.209 539 N CA -0.094 53.062 53.050 0.176 0.000 0.879 539 N CB 0.803 39.381 38.487 0.152 0.000 1.136 539 N HN 0.571 nan 8.380 nan 0.000 0.517 540 M N 0.408 120.085 119.600 0.129 0.000 2.371 540 M HA 0.569 5.049 4.480 -0.000 0.000 0.287 540 M C -2.206 174.079 176.300 -0.026 0.000 1.149 540 M CA -0.787 54.471 55.300 -0.069 0.000 0.929 540 M CB 2.404 34.806 32.600 -0.330 0.000 1.683 540 M HN -0.159 nan 8.290 nan 0.000 0.470 541 V N 2.940 122.809 119.914 -0.075 0.000 2.709 541 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 541 V C -0.748 175.286 176.094 -0.101 0.000 1.062 541 V CA -0.509 61.761 62.300 -0.051 0.000 0.901 541 V CB 2.551 34.409 31.823 0.058 0.000 1.003 541 V HN 0.901 nan 8.190 nan 0.000 0.425 542 T N 3.305 117.787 114.554 -0.120 0.000 2.848 542 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 542 T C -0.065 174.557 174.700 -0.130 0.000 0.995 542 T CA -0.302 61.736 62.100 -0.104 0.000 0.970 542 T CB 1.692 70.543 68.868 -0.029 0.000 0.976 542 T HN 0.938 nan 8.240 nan 0.000 0.441 543 A N 1.984 124.772 122.820 -0.052 0.000 2.404 543 A HA 0.288 4.608 4.320 -0.000 0.000 0.273 543 A C 1.368 178.936 177.584 -0.027 0.000 1.144 543 A CA -0.362 51.657 52.037 -0.030 0.000 0.806 543 A CB -0.051 18.979 19.000 0.050 0.000 1.080 543 A HN 1.068 nan 8.150 nan 0.000 0.509 544 E N 2.278 122.368 120.200 -0.184 0.000 2.160 544 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 544 E C 0.670 177.343 176.600 0.121 0.000 0.991 544 E CA 1.840 58.096 56.400 -0.240 0.000 0.810 544 E CB 0.086 29.538 29.700 -0.414 0.000 0.742 544 E HN 0.800 nan 8.360 nan 0.000 0.466 545 N N -1.278 117.491 118.700 0.115 0.000 1.983 545 N HA -0.019 4.721 4.740 -0.000 0.000 0.234 545 N C 0.731 176.340 175.510 0.165 0.000 1.339 545 N CA 0.212 53.367 53.050 0.176 0.000 0.826 545 N CB 0.263 38.824 38.487 0.125 0.000 1.156 545 N HN -0.006 nan 8.380 nan 0.000 0.468 546 E N 0.778 121.059 120.200 0.134 0.000 2.396 546 E HA 0.049 4.399 4.350 -0.000 0.000 0.200 546 E C 1.110 177.843 176.600 0.222 0.000 1.023 546 E CA 0.961 57.454 56.400 0.155 0.000 0.857 546 E CB -0.028 29.753 29.700 0.136 0.000 0.775 546 E HN 0.345 nan 8.360 nan 0.000 0.525 547 M N -0.201 119.545 119.600 0.244 0.000 2.405 547 M HA 0.150 4.630 4.480 -0.000 0.000 0.292 547 M C -0.022 176.484 176.300 0.343 0.000 1.111 547 M CA -0.115 55.384 55.300 0.332 0.000 0.979 547 M CB 0.645 33.417 32.600 0.288 0.000 1.426 547 M HN -0.147 nan 8.290 nan 0.000 0.509 548 K N 0.520 121.079 120.400 0.264 0.000 2.132 548 K HA 0.239 4.559 4.320 -0.000 0.000 0.240 548 K C 1.111 177.863 176.600 0.253 0.000 1.036 548 K CA -0.192 56.238 56.287 0.239 0.000 0.888 548 K CB 1.111 33.751 32.500 0.234 0.000 1.071 548 K HN 0.083 nan 8.250 nan 0.000 0.502 549 I N 1.172 121.842 120.570 0.166 0.000 2.179 549 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 549 I C 1.978 178.106 176.117 0.019 0.000 1.088 549 I CA 1.411 62.710 61.300 -0.001 0.000 1.357 549 I CB -0.486 37.336 38.000 -0.297 0.000 1.051 549 I HN 0.719 nan 8.210 nan 0.000 0.409 550 D N 1.714 122.102 120.400 -0.021 0.000 2.178 550 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 550 D C 1.966 178.298 176.300 0.052 0.000 0.974 550 D CA 1.431 55.420 54.000 -0.019 0.000 0.841 550 D CB -0.289 40.471 40.800 -0.067 0.000 0.953 550 D HN 0.338 nan 8.370 nan 0.000 0.478 551 A N 0.472 123.345 122.820 0.088 0.000 1.970 551 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 551 A C 2.275 179.908 177.584 0.080 0.000 1.170 551 A CA 1.870 53.962 52.037 0.091 0.000 0.645 551 A CB -0.711 18.362 19.000 0.122 0.000 0.816 551 A HN 0.435 nan 8.150 nan 0.000 0.447 552 T N -3.572 111.069 114.554 0.145 0.000 3.037 552 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 552 T C 0.567 175.269 174.700 0.004 0.000 1.079 552 T CA 0.723 62.857 62.100 0.058 0.000 1.067 552 T CB 0.151 69.181 68.868 0.270 0.000 0.948 552 T HN 0.405 nan 8.240 nan 0.000 0.496 553 E N 1.313 121.584 120.200 0.119 0.000 3.352 553 E HA 0.262 4.612 4.350 -0.000 0.000 0.254 553 E C -2.407 174.292 176.600 0.165 0.000 1.229 553 E CA -1.959 54.426 56.400 -0.026 0.000 0.949 553 E CB 1.413 31.166 29.700 0.089 0.000 1.373 553 E HN 0.078 nan 8.360 nan 0.000 0.392 554 P HA -0.172 nan 4.420 nan 0.000 0.217 554 P C -0.130 177.283 177.300 0.189 0.000 1.151 554 P CA 1.283 64.452 63.100 0.115 0.000 0.849 554 P CB 0.273 31.976 31.700 0.005 0.000 0.787 555 Q N -1.962 117.771 119.800 -0.110 0.000 2.421 555 Q HA 0.276 4.616 4.340 -0.000 0.000 0.280 555 Q C -0.388 174.959 176.000 -1.088 0.000 1.085 555 Q CA -1.002 54.487 55.803 -0.524 0.000 0.807 555 Q CB 1.784 30.331 28.738 -0.318 0.000 1.405 555 Q HN -0.049 nan 8.270 nan 0.000 0.419 556 R N -0.080 119.321 120.500 -1.832 0.000 2.473 556 R HA 0.182 4.522 4.340 -0.000 0.000 0.315 556 R C 0.880 176.685 176.300 -0.824 0.000 0.972 556 R CA 1.779 56.840 56.100 -1.733 0.000 1.047 556 R CB -0.401 29.070 30.300 -1.381 0.000 0.932 556 R HN 0.926 nan 8.270 nan 0.000 0.411 557 G N 2.894 111.278 108.800 -0.693 0.000 2.179 557 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 557 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 557 G C 0.014 174.691 174.900 -0.371 0.000 0.977 557 G CA 0.447 45.311 45.100 -0.394 0.000 0.641 557 G HN 0.614 nan 8.290 nan 0.000 0.533 558 Q N 0.218 119.703 119.800 -0.525 0.000 2.506 558 Q HA 0.623 4.963 4.340 -0.000 0.000 0.242 558 Q C -0.514 175.234 176.000 -0.420 0.000 1.060 558 Q CA -0.856 54.745 55.803 -0.336 0.000 0.826 558 Q CB 0.090 28.671 28.738 -0.261 0.000 1.169 558 Q HN 0.202 nan 8.270 nan 0.000 0.521 559 F N 1.955 121.804 119.950 -0.169 0.000 2.382 559 F HA 0.358 4.885 4.527 -0.000 0.000 0.331 559 F C 0.833 176.365 175.800 -0.448 0.000 1.121 559 F CA -0.255 57.538 58.000 -0.344 0.000 1.183 559 F CB 0.874 39.661 39.000 -0.354 0.000 1.207 559 F HN 0.447 nan 8.300 nan 0.000 0.555 560 N N 2.070 120.461 118.700 -0.516 0.000 2.500 560 N HA 0.224 4.964 4.740 -0.000 0.000 0.291 560 N C -1.101 174.070 175.510 -0.566 0.000 1.092 560 N CA -0.309 52.509 53.050 -0.386 0.000 0.890 560 N CB 0.797 39.183 38.487 -0.168 0.000 1.466 560 N HN 0.400 nan 8.380 nan 0.000 0.507 561 F N 0.986 120.900 119.950 -0.060 0.000 2.683 561 F HA 0.142 4.669 4.527 -0.000 0.000 0.306 561 F C 2.221 178.050 175.800 0.049 0.000 1.102 561 F CA -0.239 57.715 58.000 -0.075 0.000 1.244 561 F CB 0.185 38.851 39.000 -0.556 0.000 1.029 561 F HN 0.456 nan 8.300 nan 0.000 0.545 562 S N 0.784 116.580 115.700 0.160 0.000 2.353 562 S HA -0.277 4.193 4.470 -0.000 0.000 0.222 562 S C 2.386 177.091 174.600 0.176 0.000 1.035 562 S CA 1.271 59.564 58.200 0.155 0.000 1.025 562 S CB -0.879 62.378 63.200 0.095 0.000 0.902 562 S HN 0.265 nan 8.310 nan 0.000 0.440 563 A N 2.006 124.918 122.820 0.152 0.000 1.902 563 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 563 A C 2.461 180.170 177.584 0.208 0.000 1.181 563 A CA 1.652 53.778 52.037 0.147 0.000 0.623 563 A CB -1.799 17.268 19.000 0.112 0.000 0.818 563 A HN 0.695 nan 8.150 nan 0.000 0.443 564 G N -0.313 108.664 108.800 0.296 0.000 2.418 564 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 564 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 564 G C 1.103 176.269 174.900 0.444 0.000 1.158 564 G CA 1.202 46.535 45.100 0.388 0.000 0.771 564 G HN 0.454 nan 8.290 nan 0.000 0.545 565 D N 0.339 121.018 120.400 0.465 0.000 2.178 565 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 565 D C 2.660 179.179 176.300 0.364 0.000 0.974 565 D CA 0.399 54.679 54.000 0.466 0.000 0.841 565 D CB -0.166 40.867 40.800 0.388 0.000 0.953 565 D HN 0.266 nan 8.370 nan 0.000 0.478 566 R N 0.280 120.942 120.500 0.269 0.000 2.081 566 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 566 R C 2.354 178.794 176.300 0.233 0.000 1.131 566 R CA 0.761 56.989 56.100 0.213 0.000 0.960 566 R CB -0.358 30.030 30.300 0.145 0.000 0.856 566 R HN 0.081 nan 8.270 nan 0.000 0.436 567 V N 0.099 120.143 119.914 0.218 0.000 2.270 567 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 567 V C 1.951 178.199 176.094 0.256 0.000 1.043 567 V CA 1.779 64.197 62.300 0.196 0.000 1.014 567 V CB -0.661 31.239 31.823 0.129 0.000 0.645 567 V HN 0.289 nan 8.190 nan 0.000 0.447 568 Y N 2.120 122.520 120.300 0.166 0.000 2.097 568 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 568 Y C 2.553 178.543 175.900 0.150 0.000 1.152 568 Y CA 2.171 60.354 58.100 0.137 0.000 1.136 568 Y CB -0.482 38.094 38.460 0.195 0.000 0.975 568 Y HN 0.296 nan 8.280 nan 0.000 0.498 569 N N -0.493 118.296 118.700 0.148 0.000 2.104 569 N HA -0.251 4.489 4.740 -0.000 0.000 0.190 569 N C 1.575 177.079 175.510 -0.010 0.000 1.024 569 N CA 1.670 54.743 53.050 0.038 0.000 0.853 569 N CB -1.204 37.384 38.487 0.168 0.000 1.008 569 N HN 0.664 nan 8.380 nan 0.000 0.424 570 W N 1.914 123.183 121.300 -0.053 0.000 2.358 570 W HA -0.040 4.620 4.660 -0.000 0.000 0.303 570 W C 2.355 178.818 176.519 -0.095 0.000 1.208 570 W CA 2.123 59.440 57.345 -0.045 0.000 1.274 570 W CB -0.348 29.111 29.460 -0.001 0.000 1.138 570 W HN 0.089 nan 8.180 nan 0.000 0.515 571 A N 0.293 123.141 122.820 0.046 0.000 1.851 571 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 571 A C 2.115 179.497 177.584 -0.338 0.000 1.195 571 A CA 3.230 55.189 52.037 -0.130 0.000 0.622 571 A CB -1.653 17.311 19.000 -0.060 0.000 0.831 571 A HN 0.541 nan 8.150 nan 0.000 0.444 572 V N -1.864 117.801 119.914 -0.415 0.000 2.343 572 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 572 V C 2.456 178.378 176.094 -0.287 0.000 1.051 572 V CA 2.561 64.644 62.300 -0.361 0.000 1.036 572 V CB -1.403 30.155 31.823 -0.442 0.000 0.654 572 V HN 0.580 nan 8.190 nan 0.000 0.451 573 Q N 1.564 121.182 119.800 -0.304 0.000 2.135 573 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 573 Q C 1.679 177.478 176.000 -0.335 0.000 0.981 573 Q CA 2.194 57.834 55.803 -0.272 0.000 0.856 573 Q CB -0.320 28.260 28.738 -0.263 0.000 0.902 573 Q HN 0.771 nan 8.270 nan 0.000 0.425 574 N N -0.825 117.578 118.700 -0.494 0.000 2.320 574 N HA 0.163 4.903 4.740 -0.000 0.000 0.237 574 N C -0.218 175.102 175.510 -0.317 0.000 1.129 574 N CA 0.712 53.472 53.050 -0.484 0.000 0.854 574 N CB 0.978 38.955 38.487 -0.851 0.000 1.083 574 N HN 0.388 nan 8.380 nan 0.000 0.504 575 G N 1.293 109.949 108.800 -0.239 0.000 2.246 575 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.273 575 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.273 575 G C -0.189 174.637 174.900 -0.124 0.000 1.055 575 G CA 0.413 45.420 45.100 -0.153 0.000 0.851 575 G HN 0.270 nan 8.290 nan 0.000 0.500 576 K N -0.078 120.231 120.400 -0.153 0.000 2.259 576 K HA 0.601 4.921 4.320 -0.000 0.000 0.249 576 K C 0.664 177.199 176.600 -0.108 0.000 0.942 576 K CA -0.640 55.591 56.287 -0.094 0.000 0.816 576 K CB 1.519 33.987 32.500 -0.052 0.000 1.155 576 K HN 0.379 nan 8.250 nan 0.000 0.428 577 Q N 0.405 120.147 119.800 -0.097 0.000 2.316 577 Q HA 0.485 4.825 4.340 -0.000 0.000 0.215 577 Q C -0.620 175.299 176.000 -0.135 0.000 1.020 577 Q CA -0.813 54.922 55.803 -0.114 0.000 0.970 577 Q CB 1.123 29.779 28.738 -0.137 0.000 1.187 577 Q HN 0.213 nan 8.270 nan 0.000 0.546 578 V N 0.901 120.734 119.914 -0.135 0.000 2.709 578 V HA 0.392 4.512 4.120 -0.000 0.000 0.308 578 V C -0.736 175.206 176.094 -0.255 0.000 1.062 578 V CA -0.812 61.393 62.300 -0.158 0.000 0.901 578 V CB 1.965 33.748 31.823 -0.066 0.000 1.003 578 V HN 0.634 nan 8.190 nan 0.000 0.425 579 R N 2.415 122.754 120.500 -0.268 0.000 2.255 579 R HA 0.569 4.909 4.340 -0.000 0.000 0.326 579 R C 0.347 176.396 176.300 -0.418 0.000 0.986 579 R CA -0.447 55.473 56.100 -0.301 0.000 0.847 579 R CB 1.793 31.987 30.300 -0.178 0.000 1.111 579 R HN 0.906 nan 8.270 nan 0.000 0.452 580 G N 1.575 109.884 108.800 -0.818 0.000 2.380 580 G HA2 0.154 4.114 3.960 -0.000 0.000 0.262 580 G HA3 0.154 4.114 3.960 -0.000 0.000 0.262 580 G C -0.917 173.821 174.900 -0.270 0.000 1.243 580 G CA 0.028 44.357 45.100 -1.285 0.000 0.865 580 G HN 0.635 nan 8.290 nan 0.000 0.513 581 H N 0.027 119.064 119.070 -0.055 0.000 3.018 581 H HA 0.601 5.157 4.556 -0.000 0.000 0.334 581 H C -0.738 174.741 175.328 0.252 0.000 0.983 581 H CA -0.269 55.859 56.048 0.134 0.000 1.363 581 H CB 2.014 31.815 29.762 0.066 0.000 1.668 581 H HN 0.648 nan 8.280 nan 0.000 0.513 582 T N 4.514 119.049 114.554 -0.031 0.000 2.894 582 T HA 0.277 4.627 4.350 -0.000 0.000 0.309 582 T C 0.557 175.344 174.700 0.144 0.000 1.208 582 T CA -0.672 61.404 62.100 -0.039 0.000 1.016 582 T CB 1.075 69.584 68.868 -0.597 0.000 1.192 582 T HN 0.551 nan 8.240 nan 0.000 0.491 583 L N 1.880 123.174 121.223 0.118 0.000 2.162 583 L HA 0.526 4.866 4.340 -0.000 0.000 0.205 583 L C 1.207 178.187 176.870 0.182 0.000 1.086 583 L CA 0.317 55.224 54.840 0.112 0.000 0.778 583 L CB -0.141 41.844 42.059 -0.123 0.000 0.928 583 L HN 0.673 nan 8.230 nan 0.000 0.446 584 A N -1.048 121.872 122.820 0.166 0.000 2.375 584 A HA 0.567 4.887 4.320 -0.000 0.000 0.295 584 A C -2.062 175.762 177.584 0.400 0.000 1.066 584 A CA -0.201 52.000 52.037 0.273 0.000 0.722 584 A CB 1.119 20.341 19.000 0.370 0.000 1.206 584 A HN 0.168 nan 8.150 nan 0.000 0.435 585 W N 3.860 125.210 121.300 0.084 0.000 3.419 585 W HA 0.366 5.026 4.660 -0.000 0.000 0.298 585 W C 0.545 177.036 176.519 -0.047 0.000 1.260 585 W CA -0.807 56.578 57.345 0.066 0.000 1.199 585 W CB 0.837 30.266 29.460 -0.052 0.000 1.349 585 W HN 0.835 nan 8.180 nan 0.000 0.557 586 H N 1.091 120.167 119.070 0.009 0.000 2.470 586 H HA 0.137 4.693 4.556 -0.000 0.000 0.289 586 H C 0.273 175.291 175.328 -0.518 0.000 1.033 586 H CA 1.083 56.981 56.048 -0.249 0.000 1.331 586 H CB -0.032 29.651 29.762 -0.131 0.000 1.414 586 H HN 0.100 nan 8.280 nan 0.000 0.545 587 S N 0.114 114.697 115.700 -1.862 0.000 2.654 587 S HA 0.158 4.628 4.470 -0.000 0.000 0.283 587 S C 0.075 173.891 174.600 -1.306 0.000 1.180 587 S CA -0.415 56.789 58.200 -1.660 0.000 1.021 587 S CB 0.768 62.743 63.200 -2.041 0.000 1.018 587 S HN 0.553 nan 8.310 nan 0.000 0.532 588 Q N 0.573 119.902 119.800 -0.785 0.000 2.457 588 Q HA -0.206 4.134 4.340 -0.000 0.000 0.283 588 Q C -0.597 175.182 176.000 -0.367 0.000 1.234 588 Q CA 0.682 56.205 55.803 -0.466 0.000 0.877 588 Q CB -1.245 27.275 28.738 -0.362 0.000 1.250 588 Q HN 0.675 nan 8.270 nan 0.000 0.481 589 Q N 1.094 120.649 119.800 -0.408 0.000 2.293 589 Q HA 0.325 4.665 4.340 -0.000 0.000 0.251 589 Q C -1.937 173.822 176.000 -0.402 0.000 0.930 589 Q CA -1.721 53.836 55.803 -0.410 0.000 0.893 589 Q CB 0.772 29.247 28.738 -0.439 0.000 1.215 589 Q HN 0.124 nan 8.270 nan 0.000 0.425 590 P HA -0.076 nan 4.420 nan 0.000 0.270 590 P C 0.379 177.385 177.300 -0.490 0.000 1.223 590 P CA 0.139 62.985 63.100 -0.424 0.000 0.785 590 P CB 0.617 32.057 31.700 -0.433 0.000 0.923 591 G N 1.926 110.576 108.800 -0.250 0.000 2.505 591 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 591 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 591 G C 1.398 176.201 174.900 -0.162 0.000 1.145 591 G CA 0.569 45.568 45.100 -0.168 0.000 0.761 591 G HN 0.766 nan 8.290 nan 0.000 0.571 592 W N -0.052 121.198 121.300 -0.085 0.000 2.374 592 W HA 0.029 4.689 4.660 -0.000 0.000 0.288 592 W C 2.062 178.529 176.519 -0.086 0.000 1.218 592 W CA 1.050 58.347 57.345 -0.081 0.000 1.245 592 W CB -0.778 28.632 29.460 -0.084 0.000 1.126 592 W HN 0.297 nan 8.180 nan 0.000 0.545 593 M N 1.294 120.284 119.600 -1.017 0.000 2.287 593 M HA -0.113 4.366 4.480 -0.000 0.000 0.266 593 M C 2.436 178.473 176.300 -0.438 0.000 1.079 593 M CA 1.482 56.236 55.300 -0.911 0.000 1.146 593 M CB -0.249 31.545 32.600 -1.343 0.000 1.374 593 M HN -0.041 nan 8.290 nan 0.000 0.435 594 Q N -0.389 119.177 119.800 -0.390 0.000 2.170 594 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 594 Q C 1.655 177.557 176.000 -0.164 0.000 0.976 594 Q CA 1.735 57.386 55.803 -0.254 0.000 0.858 594 Q CB -0.044 28.561 28.738 -0.223 0.000 0.907 594 Q HN 0.492 nan 8.270 nan 0.000 0.433 595 S N 0.246 115.873 115.700 -0.123 0.000 2.607 595 S HA 0.084 4.554 4.470 -0.000 0.000 0.224 595 S C 0.631 175.204 174.600 -0.044 0.000 0.969 595 S CA 0.233 58.397 58.200 -0.060 0.000 0.927 595 S CB 0.069 63.261 63.200 -0.015 0.000 0.772 595 S HN 0.198 nan 8.310 nan 0.000 0.533 596 L N 1.796 122.981 121.223 -0.064 0.000 2.360 596 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 596 L C 0.345 177.175 176.870 -0.065 0.000 1.057 596 L CA -0.483 54.334 54.840 -0.037 0.000 0.803 596 L CB 1.362 43.416 42.059 -0.008 0.000 1.207 596 L HN 0.165 nan 8.230 nan 0.000 0.445 597 S N -0.275 115.398 115.700 -0.045 0.000 2.615 597 S HA 0.826 5.296 4.470 -0.000 0.000 0.269 597 S C -0.160 174.418 174.600 -0.035 0.000 1.161 597 S CA -0.237 57.928 58.200 -0.058 0.000 0.817 597 S CB 1.364 64.531 63.200 -0.056 0.000 1.131 597 S HN 1.260 nan 8.310 nan 0.000 0.467 598 G N 1.860 110.636 108.800 -0.039 0.000 2.564 598 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 598 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 598 G C 1.022 175.921 174.900 -0.002 0.000 1.242 598 G CA 1.347 46.437 45.100 -0.018 0.000 0.951 598 G HN 2.194 nan 8.290 nan 0.000 0.564 599 S N -1.465 114.242 115.700 0.011 0.000 2.419 599 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 599 S C 2.199 176.817 174.600 0.031 0.000 1.016 599 S CA 2.491 60.705 58.200 0.024 0.000 0.974 599 S CB -0.693 62.522 63.200 0.025 0.000 0.786 599 S HN 1.128 nan 8.310 nan 0.000 0.492 600 T N 2.742 117.311 114.554 0.026 0.000 2.821 600 T HA 0.108 4.458 4.350 -0.000 0.000 0.267 600 T C 1.677 176.409 174.700 0.054 0.000 1.046 600 T CA 1.049 63.173 62.100 0.040 0.000 1.139 600 T CB -0.444 68.445 68.868 0.037 0.000 0.871 600 T HN 0.286 nan 8.240 nan 0.000 0.454 601 L N 0.776 122.016 121.223 0.028 0.000 2.056 601 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 601 L C 2.815 179.705 176.870 0.033 0.000 1.078 601 L CA 1.460 56.308 54.840 0.013 0.000 0.749 601 L CB -0.242 41.786 42.059 -0.051 0.000 0.901 601 L HN 0.129 nan 8.230 nan 0.000 0.433 602 R N 0.189 120.710 120.500 0.035 0.000 2.091 602 R HA -0.265 4.075 4.340 -0.000 0.000 0.238 602 R C 2.179 178.534 176.300 0.091 0.000 1.136 602 R CA 2.056 58.197 56.100 0.068 0.000 0.959 602 R CB -0.599 29.743 30.300 0.069 0.000 0.856 602 R HN 0.320 nan 8.270 nan 0.000 0.437 603 Q N -0.341 119.508 119.800 0.082 0.000 2.123 603 Q HA 0.128 4.468 4.340 -0.000 0.000 0.199 603 Q C 1.845 177.919 176.000 0.124 0.000 0.966 603 Q CA 1.893 57.751 55.803 0.091 0.000 0.845 603 Q CB -0.376 28.404 28.738 0.071 0.000 0.907 603 Q HN 0.417 nan 8.270 nan 0.000 0.439 604 A N 0.315 123.221 122.820 0.143 0.000 1.933 604 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 604 A C 2.119 179.846 177.584 0.238 0.000 1.175 604 A CA 1.618 53.788 52.037 0.222 0.000 0.628 604 A CB -0.669 18.509 19.000 0.297 0.000 0.814 604 A HN 0.578 nan 8.150 nan 0.000 0.444 605 M N -0.442 119.259 119.600 0.167 0.000 2.117 605 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 605 M C 1.923 178.345 176.300 0.203 0.000 1.065 605 M CA 1.841 57.245 55.300 0.174 0.000 1.114 605 M CB -0.319 32.371 32.600 0.149 0.000 1.361 605 M HN 0.428 nan 8.290 nan 0.000 0.408 606 I N 0.497 121.164 120.570 0.163 0.000 2.179 606 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 606 I C 1.816 178.019 176.117 0.143 0.000 1.088 606 I CA 1.314 62.691 61.300 0.129 0.000 1.357 606 I CB -0.758 37.301 38.000 0.099 0.000 1.051 606 I HN 0.297 nan 8.210 nan 0.000 0.409 607 D N -0.317 120.191 120.400 0.180 0.000 2.144 607 D HA -0.241 4.399 4.640 -0.000 0.000 0.199 607 D C 1.977 178.482 176.300 0.342 0.000 0.984 607 D CA 1.486 55.617 54.000 0.218 0.000 0.834 607 D CB -0.373 40.558 40.800 0.218 0.000 0.955 607 D HN 0.455 nan 8.370 nan 0.000 0.465 608 H N 0.415 119.666 119.070 0.301 0.000 2.357 608 H HA 0.027 4.583 4.556 -0.000 0.000 0.301 608 H C 2.177 177.649 175.328 0.240 0.000 1.082 608 H CA 1.154 57.443 56.048 0.402 0.000 1.342 608 H CB -0.216 29.723 29.762 0.295 0.000 1.389 608 H HN 0.040 nan 8.280 nan 0.000 0.511 609 I N 0.244 120.895 120.570 0.135 0.000 2.179 609 I HA -0.315 3.854 4.170 -0.000 0.000 0.242 609 I C 2.106 178.134 176.117 -0.148 0.000 1.088 609 I CA 1.223 62.486 61.300 -0.060 0.000 1.357 609 I CB -0.351 37.624 38.000 -0.043 0.000 1.051 609 I HN 0.370 nan 8.210 nan 0.000 0.409 610 N N 1.206 119.862 118.700 -0.074 0.000 2.069 610 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 610 N C 1.903 177.284 175.510 -0.215 0.000 1.031 610 N CA 1.809 54.793 53.050 -0.111 0.000 0.852 610 N CB -0.860 37.599 38.487 -0.046 0.000 1.018 610 N HN 0.449 nan 8.380 nan 0.000 0.423 611 G N 0.963 109.572 108.800 -0.320 0.000 2.459 611 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 611 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 611 G C 1.757 176.316 174.900 -0.568 0.000 1.183 611 G CA 1.064 45.659 45.100 -0.842 0.000 0.776 611 G HN 0.216 nan 8.290 nan 0.000 0.552 612 V N 0.960 120.685 119.914 -0.314 0.000 2.307 612 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 612 V C 2.900 178.974 176.094 -0.034 0.000 1.045 612 V CA 1.999 64.319 62.300 0.034 0.000 1.024 612 V CB -0.417 31.426 31.823 0.033 0.000 0.651 612 V HN 0.348 nan 8.190 nan 0.000 0.449 613 M N 0.274 119.741 119.600 -0.221 0.000 2.229 613 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 613 M C 2.278 178.523 176.300 -0.091 0.000 1.063 613 M CA 1.830 57.025 55.300 -0.174 0.000 1.114 613 M CB -0.803 31.598 32.600 -0.332 0.000 1.387 613 M HN 0.499 nan 8.290 nan 0.000 0.420 614 G N -0.793 107.905 108.800 -0.170 0.000 2.418 614 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 614 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 614 G C 1.184 175.939 174.900 -0.242 0.000 1.158 614 G CA 1.358 46.352 45.100 -0.177 0.000 0.771 614 G HN 0.470 nan 8.290 nan 0.000 0.545 615 H N -0.521 118.252 119.070 -0.494 0.000 2.353 615 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 615 H C 1.329 176.204 175.328 -0.755 0.000 1.090 615 H CA 1.309 56.861 56.048 -0.827 0.000 1.327 615 H CB -0.119 28.572 29.762 -1.784 0.000 1.383 615 H HN 0.412 nan 8.280 nan 0.000 0.508 616 Y N 0.546 120.663 120.300 -0.306 0.000 2.532 616 Y HA 0.201 4.751 4.550 -0.000 0.000 0.283 616 Y C 0.652 176.483 175.900 -0.116 0.000 1.181 616 Y CA -0.377 57.576 58.100 -0.245 0.000 1.256 616 Y CB -0.173 38.302 38.460 0.025 0.000 1.112 616 Y HN 0.004 nan 8.280 nan 0.000 0.521 617 K N 0.720 121.104 120.400 -0.026 0.000 2.473 617 K HA 0.073 4.393 4.320 -0.000 0.000 0.277 617 K C 1.295 177.898 176.600 0.006 0.000 1.052 617 K CA 1.291 57.582 56.287 0.006 0.000 1.114 617 K CB -0.253 32.215 32.500 -0.053 0.000 0.869 617 K HN 0.629 nan 8.250 nan 0.000 0.481 618 G N 3.665 112.497 108.800 0.054 0.000 2.189 618 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 618 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 618 G C 0.520 175.448 174.900 0.047 0.000 0.975 618 G CA 0.841 45.966 45.100 0.042 0.000 0.644 618 G HN 0.737 nan 8.290 nan 0.000 0.537 619 K N -0.756 119.675 120.400 0.052 0.000 2.380 619 K HA 0.355 4.675 4.320 -0.000 0.000 0.198 619 K C 0.502 177.147 176.600 0.075 0.000 1.070 619 K CA -0.061 56.269 56.287 0.072 0.000 1.040 619 K CB 0.870 33.346 32.500 -0.041 0.000 0.903 619 K HN 0.319 nan 8.250 nan 0.000 0.549 620 I N 1.020 121.598 120.570 0.013 0.000 2.354 620 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 620 I C 1.112 177.174 176.117 -0.091 0.000 0.989 620 I CA -0.292 60.924 61.300 -0.139 0.000 1.188 620 I CB 1.094 38.839 38.000 -0.426 0.000 1.342 620 I HN -0.014 nan 8.210 nan 0.000 0.457 621 A N 6.193 128.943 122.820 -0.118 0.000 1.897 621 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 621 A C 0.806 178.363 177.584 -0.046 0.000 1.181 621 A CA 1.059 53.057 52.037 -0.066 0.000 0.620 621 A CB 0.070 19.012 19.000 -0.096 0.000 0.821 621 A HN 0.777 nan 8.150 nan 0.000 0.443 622 Q N -2.971 116.755 119.800 -0.123 0.000 2.359 622 Q HA 0.477 4.817 4.340 -0.000 0.000 0.274 622 Q C -2.033 173.889 176.000 -0.130 0.000 1.074 622 Q CA -0.331 55.448 55.803 -0.040 0.000 0.810 622 Q CB 2.141 30.873 28.738 -0.009 0.000 1.342 622 Q HN 0.546 nan 8.270 nan 0.000 0.427 623 W N 1.391 122.714 121.300 0.039 0.000 2.656 623 W HA 0.314 4.973 4.660 -0.000 0.000 0.327 623 W C -0.726 175.806 176.519 0.022 0.000 1.041 623 W CA -0.475 56.884 57.345 0.023 0.000 1.229 623 W CB 1.704 31.169 29.460 0.008 0.000 1.397 623 W HN 0.452 nan 8.180 nan 0.000 0.479 624 D N 3.631 124.245 120.400 0.358 0.000 2.453 624 D HA 0.070 4.710 4.640 -0.000 0.000 0.223 624 D C 1.158 177.540 176.300 0.138 0.000 1.183 624 D CA 0.191 54.302 54.000 0.185 0.000 0.933 624 D CB 1.239 42.133 40.800 0.157 0.000 1.038 624 D HN 0.105 nan 8.370 nan 0.000 0.513 625 V N 1.749 121.669 119.914 0.010 0.000 2.261 625 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 625 V C 1.142 177.133 176.094 -0.172 0.000 1.047 625 V CA 1.099 63.258 62.300 -0.235 0.000 1.015 625 V CB -0.004 31.345 31.823 -0.790 0.000 0.642 625 V HN 0.263 nan 8.190 nan 0.000 0.446 626 V N 0.576 120.421 119.914 -0.115 0.000 2.555 626 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 626 V C -0.678 175.381 176.094 -0.058 0.000 1.038 626 V CA -0.678 61.664 62.300 0.070 0.000 0.887 626 V CB 1.710 33.675 31.823 0.237 0.000 0.991 626 V HN 0.479 nan 8.190 nan 0.000 0.434 627 N N 2.123 120.803 118.700 -0.034 0.000 2.314 627 N HA 0.371 5.111 4.740 -0.000 0.000 0.294 627 N C -0.391 175.136 175.510 0.028 0.000 1.029 627 N CA -0.507 52.369 53.050 -0.290 0.000 0.845 627 N CB 1.277 39.306 38.487 -0.762 0.000 1.321 627 N HN 0.747 nan 8.380 nan 0.000 0.481 628 E N 1.154 121.358 120.200 0.006 0.000 2.210 628 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 628 E C -0.210 176.684 176.600 0.489 0.000 1.339 628 E CA 0.558 57.145 56.400 0.312 0.000 0.699 628 E CB -1.388 28.673 29.700 0.602 0.000 1.126 628 E HN 0.576 nan 8.360 nan 0.000 0.355 629 A N 0.106 123.287 122.820 0.601 0.000 2.218 629 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 629 A C 0.255 177.956 177.584 0.195 0.000 1.168 629 A CA 0.293 52.649 52.037 0.532 0.000 0.804 629 A CB 0.278 19.607 19.000 0.548 0.000 0.834 629 A HN 0.240 nan 8.150 nan 0.000 0.482 630 F N -0.702 119.346 119.950 0.163 0.000 2.470 630 F HA 0.523 5.050 4.527 -0.000 0.000 0.329 630 F C 0.962 176.739 175.800 -0.038 0.000 1.072 630 F CA -0.795 57.228 58.000 0.039 0.000 0.989 630 F CB 1.523 40.524 39.000 0.002 0.000 1.193 630 F HN -0.058 nan 8.300 nan 0.000 0.481 631 S N 0.290 116.038 115.700 0.081 0.000 2.603 631 S HA 0.141 4.611 4.470 -0.000 0.000 0.268 631 S C 0.351 174.947 174.600 -0.006 0.000 1.317 631 S CA -0.506 57.702 58.200 0.012 0.000 1.012 631 S CB 0.434 63.630 63.200 -0.007 0.000 0.926 631 S HN 0.626 nan 8.310 nan 0.000 0.539 632 D N 1.064 121.450 120.400 -0.023 0.000 2.398 632 D HA 0.050 4.690 4.640 -0.000 0.000 0.210 632 D C 0.864 177.142 176.300 -0.036 0.000 1.094 632 D CA 0.198 54.170 54.000 -0.046 0.000 0.839 632 D CB 0.107 40.910 40.800 0.004 0.000 0.963 632 D HN 0.752 nan 8.370 nan 0.000 0.506 633 D N 0.406 120.795 120.400 -0.018 0.000 2.265 633 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 633 D C 1.659 177.950 176.300 -0.015 0.000 0.977 633 D CA 1.514 55.507 54.000 -0.013 0.000 0.871 633 D CB -0.186 40.609 40.800 -0.008 0.000 0.925 633 D HN 0.253 nan 8.370 nan 0.000 0.485 634 G N -1.009 107.779 108.800 -0.020 0.000 2.255 634 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.196 634 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.196 634 G C 1.051 175.955 174.900 0.006 0.000 0.998 634 G CA 0.532 45.623 45.100 -0.014 0.000 0.656 634 G HN 0.681 nan 8.290 nan 0.000 0.490 635 S N 0.196 115.903 115.700 0.012 0.000 2.535 635 S HA 0.448 4.918 4.470 -0.000 0.000 0.214 635 S C 1.959 176.584 174.600 0.040 0.000 0.980 635 S CA 1.248 59.462 58.200 0.022 0.000 0.907 635 S CB 0.526 63.737 63.200 0.019 0.000 0.790 635 S HN 2.257 nan 8.310 nan 0.000 0.510 636 G N 0.728 109.563 108.800 0.058 0.000 2.198 636 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.260 636 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.260 636 G C 0.390 175.429 174.900 0.232 0.000 1.025 636 G CA -0.008 45.164 45.100 0.120 0.000 0.769 636 G HN 1.033 nan 8.290 nan 0.000 0.507 637 G N -1.187 107.699 108.800 0.143 0.000 2.557 637 G HA2 0.639 4.599 3.960 -0.000 0.000 0.302 637 G HA3 0.639 4.599 3.960 -0.000 0.000 0.302 637 G C 0.263 175.113 174.900 -0.083 0.000 1.311 637 G CA -0.933 44.209 45.100 0.070 0.000 1.030 637 G HN 0.329 nan 8.290 nan 0.000 0.509 638 R N -0.051 120.285 120.500 -0.274 0.000 2.594 638 R HA 0.135 4.475 4.340 -0.000 0.000 0.272 638 R C 0.592 176.778 176.300 -0.191 0.000 1.074 638 R CA -0.372 55.468 56.100 -0.435 0.000 1.105 638 R CB 0.628 30.756 30.300 -0.288 0.000 1.008 638 R HN 0.594 nan 8.270 nan 0.000 0.472 639 R N 1.639 122.046 120.500 -0.155 0.000 2.389 639 R HA -0.033 4.307 4.340 -0.000 0.000 0.295 639 R C -0.657 175.583 176.300 -0.099 0.000 1.075 639 R CA -0.235 55.802 56.100 -0.106 0.000 1.005 639 R CB 0.422 30.644 30.300 -0.130 0.000 0.987 639 R HN 0.440 nan 8.270 nan 0.000 0.452 640 D N 2.869 123.210 120.400 -0.099 0.000 2.344 640 D HA 0.078 4.718 4.640 -0.000 0.000 0.253 640 D C -0.890 175.337 176.300 -0.123 0.000 1.255 640 D CA 0.171 54.115 54.000 -0.094 0.000 0.894 640 D CB 0.640 41.397 40.800 -0.071 0.000 1.067 640 D HN 0.550 nan 8.370 nan 0.000 0.492 641 S N 2.559 118.169 115.700 -0.150 0.000 2.732 641 S HA 0.328 4.798 4.470 -0.000 0.000 0.293 641 S C 1.071 175.547 174.600 -0.206 0.000 1.159 641 S CA -0.801 57.299 58.200 -0.167 0.000 0.847 641 S CB 0.991 64.090 63.200 -0.168 0.000 1.169 641 S HN 0.378 nan 8.310 nan 0.000 0.501 642 N N 0.924 119.501 118.700 -0.205 0.000 2.223 642 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 642 N C 1.531 176.852 175.510 -0.315 0.000 1.016 642 N CA 1.290 54.212 53.050 -0.212 0.000 0.863 642 N CB -1.028 37.350 38.487 -0.182 0.000 0.983 642 N HN 0.629 nan 8.380 nan 0.000 0.429 643 L N -0.302 120.630 121.223 -0.485 0.000 2.027 643 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 643 L C 2.744 178.953 176.870 -1.100 0.000 1.074 643 L CA 1.343 55.658 54.840 -0.875 0.000 0.745 643 L CB -0.494 40.739 42.059 -1.377 0.000 0.898 643 L HN 0.213 nan 8.230 nan 0.000 0.433 644 Q N 0.592 119.894 119.800 -0.830 0.000 2.167 644 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 644 Q C 2.089 177.985 176.000 -0.174 0.000 0.970 644 Q CA 1.524 57.098 55.803 -0.380 0.000 0.855 644 Q CB -0.053 28.633 28.738 -0.087 0.000 0.911 644 Q HN 0.305 nan 8.270 nan 0.000 0.438 645 R N -0.502 119.885 120.500 -0.190 0.000 2.316 645 R HA -0.006 4.334 4.340 -0.000 0.000 0.202 645 R C 1.871 178.125 176.300 -0.076 0.000 1.029 645 R CA 1.265 57.304 56.100 -0.102 0.000 1.018 645 R CB -0.193 30.048 30.300 -0.099 0.000 0.888 645 R HN 0.453 nan 8.270 nan 0.000 0.471 646 T N -2.496 111.994 114.554 -0.108 0.000 3.055 646 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 646 T C 0.861 175.581 174.700 0.032 0.000 1.111 646 T CA 0.522 62.597 62.100 -0.041 0.000 1.118 646 T CB 0.520 69.359 68.868 -0.048 0.000 0.909 646 T HN 0.322 nan 8.240 nan 0.000 0.501 647 G N 0.658 109.497 108.800 0.065 0.000 2.351 647 G HA2 0.047 4.007 3.960 -0.000 0.000 0.472 647 G HA3 0.047 4.007 3.960 -0.000 0.000 0.472 647 G C -0.136 174.918 174.900 0.257 0.000 1.570 647 G CA -0.286 44.890 45.100 0.127 0.000 0.921 647 G HN 0.082 nan 8.290 nan 0.000 0.674 648 N N 0.355 119.176 118.700 0.201 0.000 2.348 648 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 648 N C 1.827 177.461 175.510 0.207 0.000 1.019 648 N CA 2.035 55.216 53.050 0.220 0.000 0.880 648 N CB 0.159 38.712 38.487 0.110 0.000 0.965 648 N HN 0.650 nan 8.380 nan 0.000 0.437 649 D N -0.342 120.170 120.400 0.187 0.000 2.349 649 D HA -0.130 4.510 4.640 -0.000 0.000 0.224 649 D C 1.697 178.095 176.300 0.164 0.000 1.029 649 D CA 0.006 54.087 54.000 0.134 0.000 0.879 649 D CB -0.900 39.960 40.800 0.101 0.000 0.906 649 D HN 0.588 nan 8.370 nan 0.000 0.528 650 W N 1.509 122.861 121.300 0.086 0.000 2.342 650 W HA -0.114 4.545 4.660 -0.000 0.000 0.297 650 W C 1.523 178.130 176.519 0.146 0.000 1.213 650 W CA 0.171 57.572 57.345 0.094 0.000 1.251 650 W CB -1.047 28.460 29.460 0.078 0.000 1.136 650 W HN -0.073 nan 8.180 nan 0.000 0.526 651 I N 1.286 121.487 120.570 -0.616 0.000 2.202 651 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 651 I C 2.781 178.933 176.117 0.059 0.000 1.091 651 I CA 2.165 63.191 61.300 -0.457 0.000 1.368 651 I CB -0.782 36.982 38.000 -0.393 0.000 1.058 651 I HN 0.021 nan 8.210 nan 0.000 0.410 652 E N 1.158 121.339 120.200 -0.032 0.000 2.085 652 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 652 E C 2.327 178.877 176.600 -0.083 0.000 0.994 652 E CA 1.568 57.796 56.400 -0.286 0.000 0.801 652 E CB 0.139 29.657 29.700 -0.303 0.000 0.743 652 E HN 0.260 nan 8.360 nan 0.000 0.453 653 V N 1.256 121.173 119.914 0.006 0.000 2.343 653 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 653 V C 2.480 178.606 176.094 0.054 0.000 1.051 653 V CA 1.824 64.151 62.300 0.045 0.000 1.036 653 V CB -0.828 31.055 31.823 0.100 0.000 0.654 653 V HN 0.451 nan 8.190 nan 0.000 0.451 654 A N -0.521 122.340 122.820 0.070 0.000 1.908 654 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 654 A C 2.051 179.571 177.584 -0.106 0.000 1.181 654 A CA 1.974 54.011 52.037 -0.001 0.000 0.627 654 A CB -0.739 18.252 19.000 -0.016 0.000 0.818 654 A HN 0.470 nan 8.150 nan 0.000 0.445 655 F N -0.289 119.633 119.950 -0.046 0.000 2.146 655 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 655 F C 2.605 178.365 175.800 -0.066 0.000 1.096 655 F CA 1.701 59.669 58.000 -0.053 0.000 1.275 655 F CB -0.236 38.698 39.000 -0.109 0.000 1.008 655 F HN 0.093 nan 8.300 nan 0.000 0.480 656 R N -0.641 119.905 120.500 0.076 0.000 2.096 656 R HA -0.109 4.230 4.340 -0.000 0.000 0.235 656 R C 2.056 178.364 176.300 0.013 0.000 1.127 656 R CA 1.797 57.912 56.100 0.024 0.000 0.968 656 R CB -0.847 29.448 30.300 -0.009 0.000 0.861 656 R HN 0.218 nan 8.270 nan 0.000 0.440 657 T N 0.776 115.331 114.554 0.003 0.000 2.777 657 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 657 T C 1.949 176.624 174.700 -0.042 0.000 1.040 657 T CA 1.331 63.423 62.100 -0.013 0.000 1.141 657 T CB -0.186 68.678 68.868 -0.006 0.000 0.868 657 T HN 0.357 nan 8.240 nan 0.000 0.444 658 A N 1.955 124.732 122.820 -0.070 0.000 1.877 658 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 658 A C 2.253 179.818 177.584 -0.032 0.000 1.186 658 A CA 2.004 53.978 52.037 -0.105 0.000 0.620 658 A CB -0.580 18.318 19.000 -0.169 0.000 0.822 658 A HN 0.338 nan 8.150 nan 0.000 0.443 659 R N 0.307 120.820 120.500 0.022 0.000 2.103 659 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 659 R C 2.084 178.396 176.300 0.021 0.000 1.142 659 R CA 2.181 58.309 56.100 0.045 0.000 0.960 659 R CB -0.879 29.457 30.300 0.060 0.000 0.858 659 R HN 0.401 nan 8.270 nan 0.000 0.439 660 A N -0.051 122.773 122.820 0.006 0.000 1.930 660 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 660 A C 2.358 179.934 177.584 -0.014 0.000 1.175 660 A CA 1.579 53.615 52.037 -0.002 0.000 0.627 660 A CB -0.925 18.073 19.000 -0.004 0.000 0.815 660 A HN 0.505 nan 8.150 nan 0.000 0.443 661 A N -1.162 121.638 122.820 -0.032 0.000 1.898 661 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 661 A C 0.953 178.517 177.584 -0.033 0.000 1.181 661 A CA 1.721 53.726 52.037 -0.052 0.000 0.620 661 A CB -0.069 18.871 19.000 -0.099 0.000 0.819 661 A HN 0.404 nan 8.150 nan 0.000 0.442 662 D N -2.242 118.153 120.400 -0.008 0.000 2.411 662 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 662 D C -2.423 173.912 176.300 0.058 0.000 1.307 662 D CA -1.450 52.570 54.000 0.033 0.000 0.930 662 D CB 1.211 42.057 40.800 0.078 0.000 1.395 662 D HN 0.019 nan 8.370 nan 0.000 0.536 663 P HA 0.006 nan 4.420 nan 0.000 0.239 663 P C 0.885 178.225 177.300 0.067 0.000 1.184 663 P CA 0.300 63.433 63.100 0.054 0.000 0.760 663 P CB 0.391 32.114 31.700 0.037 0.000 0.884 664 A N -0.218 122.646 122.820 0.073 0.000 2.081 664 A HA 0.397 4.717 4.320 -0.000 0.000 0.214 664 A C 1.440 179.083 177.584 0.098 0.000 1.158 664 A CA 0.388 52.469 52.037 0.074 0.000 0.724 664 A CB -0.576 18.461 19.000 0.062 0.000 0.826 664 A HN 0.283 nan 8.150 nan 0.000 0.463 665 A N 0.402 123.305 122.820 0.139 0.000 2.354 665 A HA 0.503 4.823 4.320 -0.000 0.000 0.269 665 A C 0.083 177.772 177.584 0.176 0.000 1.109 665 A CA -0.447 51.698 52.037 0.181 0.000 0.800 665 A CB 0.175 19.380 19.000 0.341 0.000 1.045 665 A HN 0.358 nan 8.150 nan 0.000 0.489 666 K N 1.548 122.043 120.400 0.158 0.000 2.322 666 K HA 0.344 4.664 4.320 -0.000 0.000 0.283 666 K C -0.977 175.759 176.600 0.226 0.000 1.042 666 K CA 0.161 56.547 56.287 0.166 0.000 0.958 666 K CB 0.534 33.117 32.500 0.138 0.000 0.984 666 K HN 0.588 nan 8.250 nan 0.000 0.473 667 L N 4.447 125.829 121.223 0.264 0.000 2.257 667 L HA 0.314 4.654 4.340 -0.000 0.000 0.290 667 L C -0.443 176.704 176.870 0.462 0.000 1.044 667 L CA -0.891 54.168 54.840 0.366 0.000 0.810 667 L CB 0.848 43.171 42.059 0.440 0.000 1.193 667 L HN 0.644 nan 8.230 nan 0.000 0.425 668 c N 2.079 120.923 118.600 0.405 0.000 2.435 668 c HA 0.445 5.015 4.570 -0.000 0.000 0.333 668 c C -0.131 174.241 174.090 0.469 0.000 1.202 668 c CA -0.945 55.604 56.329 0.366 0.000 1.830 668 c CB 1.295 43.920 42.510 0.192 0.000 2.326 668 c HN 0.612 nan 8.230 nan 0.000 0.507 669 Y N 2.592 123.091 120.300 0.331 0.000 2.328 669 Y HA 0.517 5.067 4.550 -0.000 0.000 0.337 669 Y C -0.176 175.748 175.900 0.040 0.000 1.008 669 Y CA -0.229 58.051 58.100 0.299 0.000 1.129 669 Y CB 0.484 39.049 38.460 0.176 0.000 1.185 669 Y HN 0.788 nan 8.280 nan 0.000 0.476 670 N N 4.217 122.433 118.700 -0.806 0.000 2.321 670 N HA 0.434 5.174 4.740 -0.000 0.000 0.299 670 N C -1.987 173.089 175.510 -0.723 0.000 1.048 670 N CA -0.311 52.380 53.050 -0.598 0.000 0.836 670 N CB 1.296 39.588 38.487 -0.325 0.000 1.269 670 N HN 0.778 nan 8.380 nan 0.000 0.486 671 D N 0.133 120.266 120.400 -0.445 0.000 2.671 671 D HA 0.245 4.885 4.640 -0.000 0.000 0.273 671 D C -1.468 174.771 176.300 -0.102 0.000 1.264 671 D CA -0.279 53.576 54.000 -0.242 0.000 0.788 671 D CB 0.849 41.559 40.800 -0.149 0.000 1.324 671 D HN 0.412 nan 8.370 nan 0.000 0.424 672 Y N -0.523 119.742 120.300 -0.058 0.000 2.621 672 Y HA 0.532 5.082 4.550 -0.000 0.000 0.334 672 Y C 0.625 176.520 175.900 -0.010 0.000 1.074 672 Y CA -0.919 57.163 58.100 -0.030 0.000 1.149 672 Y CB 0.572 39.054 38.460 0.037 0.000 1.302 672 Y HN 0.565 nan 8.280 nan 0.000 0.501 673 N N 0.699 119.475 118.700 0.126 0.000 2.735 673 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 673 N C -0.284 175.283 175.510 0.095 0.000 1.083 673 N CA 0.929 53.902 53.050 -0.129 0.000 0.703 673 N CB -1.035 37.209 38.487 -0.404 0.000 1.005 673 N HN 0.784 nan 8.380 nan 0.000 0.550 674 I N -3.911 116.873 120.570 0.355 0.000 3.658 674 I HA 0.291 4.461 4.170 -0.000 0.000 0.328 674 I C 0.577 177.103 176.117 0.682 0.000 1.567 674 I CA -0.483 61.077 61.300 0.434 0.000 1.078 674 I CB 0.601 38.672 38.000 0.119 0.000 1.267 674 I HN -0.156 nan 8.210 nan 0.000 0.495 675 E N 0.989 121.622 120.200 0.722 0.000 2.166 675 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 675 E C 0.692 177.450 176.600 0.263 0.000 0.967 675 E CA 0.276 56.988 56.400 0.519 0.000 0.840 675 E CB 0.080 29.833 29.700 0.088 0.000 0.795 675 E HN 0.360 nan 8.360 nan 0.000 0.470 676 N N 0.813 119.320 118.700 -0.322 0.000 2.430 676 N HA -0.071 4.668 4.740 -0.000 0.000 0.265 676 N C 0.147 175.488 175.510 -0.282 0.000 1.100 676 N CA -0.073 52.514 53.050 -0.773 0.000 0.961 676 N CB 0.359 37.486 38.487 -2.267 0.000 1.075 676 N HN 0.258 nan 8.380 nan 0.000 0.478 677 W N 3.671 124.862 121.300 -0.182 0.000 2.350 677 W HA -0.205 4.455 4.660 -0.000 0.000 0.289 677 W C 1.303 177.786 176.519 -0.060 0.000 1.215 677 W CA 2.055 59.368 57.345 -0.053 0.000 1.236 677 W CB -0.088 29.330 29.460 -0.070 0.000 1.130 677 W HN 0.643 nan 8.180 nan 0.000 0.541 678 T N -2.286 112.138 114.554 -0.217 0.000 3.051 678 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 678 T C 0.558 175.199 174.700 -0.097 0.000 1.127 678 T CA 0.262 62.247 62.100 -0.192 0.000 1.107 678 T CB -0.681 68.119 68.868 -0.112 0.000 0.898 678 T HN -0.049 nan 8.240 nan 0.000 0.517 679 W N 1.328 122.542 121.300 -0.143 0.000 2.238 679 W HA 0.675 5.335 4.660 -0.000 0.000 0.321 679 W C 1.540 177.950 176.519 -0.181 0.000 1.293 679 W CA -1.481 55.799 57.345 -0.109 0.000 1.204 679 W CB 0.229 29.663 29.460 -0.043 0.000 1.167 679 W HN 0.241 nan 8.180 nan 0.000 0.553 680 A N 3.315 126.193 122.820 0.098 0.000 1.940 680 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 680 A C 2.127 179.702 177.584 -0.015 0.000 1.176 680 A CA 1.776 53.810 52.037 -0.006 0.000 0.631 680 A CB -0.466 18.543 19.000 0.014 0.000 0.814 680 A HN 0.694 nan 8.150 nan 0.000 0.446 681 K N -0.851 119.561 120.400 0.020 0.000 2.032 681 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 681 K C 2.073 178.635 176.600 -0.063 0.000 1.048 681 K CA 1.950 58.230 56.287 -0.012 0.000 0.927 681 K CB -0.380 32.089 32.500 -0.051 0.000 0.712 681 K HN 0.488 nan 8.250 nan 0.000 0.441 682 T N 1.302 115.890 114.554 0.056 0.000 2.665 682 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 682 T C 1.833 176.510 174.700 -0.039 0.000 1.035 682 T CA 1.617 63.782 62.100 0.109 0.000 1.151 682 T CB -0.199 68.775 68.868 0.175 0.000 0.862 682 T HN 0.399 nan 8.240 nan 0.000 0.438 683 Q N 0.095 119.730 119.800 -0.275 0.000 2.167 683 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 683 Q C 2.757 178.673 176.000 -0.139 0.000 0.970 683 Q CA 1.111 56.713 55.803 -0.336 0.000 0.855 683 Q CB -0.360 28.110 28.738 -0.447 0.000 0.911 683 Q HN 0.613 nan 8.270 nan 0.000 0.438 684 G N 0.190 108.896 108.800 -0.156 0.000 2.402 684 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 684 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 684 G C 1.481 176.092 174.900 -0.483 0.000 1.162 684 G CA 0.669 45.684 45.100 -0.141 0.000 0.777 684 G HN 0.196 nan 8.290 nan 0.000 0.539 685 V N -0.172 119.298 119.914 -0.741 0.000 2.427 685 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 685 V C 2.246 178.220 176.094 -0.199 0.000 1.051 685 V CA 1.675 63.519 62.300 -0.760 0.000 1.048 685 V CB -0.655 30.889 31.823 -0.465 0.000 0.666 685 V HN 0.491 nan 8.190 nan 0.000 0.456 686 Y N 1.919 122.137 120.300 -0.138 0.000 2.128 686 Y HA -0.260 4.289 4.550 -0.000 0.000 0.284 686 Y C 2.566 178.291 175.900 -0.292 0.000 1.154 686 Y CA 2.132 59.989 58.100 -0.405 0.000 1.149 686 Y CB -0.329 37.890 38.460 -0.402 0.000 0.976 686 Y HN 0.287 nan 8.280 nan 0.000 0.505 687 N N 0.197 118.846 118.700 -0.086 0.000 2.149 687 N HA -0.247 4.493 4.740 -0.000 0.000 0.188 687 N C 2.013 177.368 175.510 -0.258 0.000 1.019 687 N CA 1.817 54.794 53.050 -0.121 0.000 0.857 687 N CB -0.520 37.960 38.487 -0.012 0.000 0.997 687 N HN 0.543 nan 8.380 nan 0.000 0.426 688 M N 0.607 120.010 119.600 -0.329 0.000 2.099 688 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 688 M C 1.688 177.505 176.300 -0.805 0.000 1.067 688 M CA 1.286 56.266 55.300 -0.533 0.000 1.124 688 M CB 0.041 32.321 32.600 -0.534 0.000 1.353 688 M HN -0.137 nan 8.290 nan 0.000 0.410 689 V N 0.652 120.178 119.914 -0.646 0.000 2.407 689 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 689 V C 2.487 178.362 176.094 -0.366 0.000 1.055 689 V CA 2.215 64.219 62.300 -0.493 0.000 1.049 689 V CB -1.108 30.583 31.823 -0.221 0.000 0.662 689 V HN 0.556 nan 8.190 nan 0.000 0.455 690 R N 0.367 120.584 120.500 -0.471 0.000 2.073 690 R HA -0.243 4.097 4.340 -0.000 0.000 0.234 690 R C 2.161 178.352 176.300 -0.182 0.000 1.134 690 R CA 2.316 58.193 56.100 -0.372 0.000 0.952 690 R CB -0.475 29.546 30.300 -0.465 0.000 0.850 690 R HN 0.621 nan 8.270 nan 0.000 0.433 691 D N -0.442 119.856 120.400 -0.171 0.000 2.104 691 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 691 D C 1.664 178.034 176.300 0.117 0.000 0.994 691 D CA 1.353 55.332 54.000 -0.035 0.000 0.830 691 D CB -0.099 40.678 40.800 -0.038 0.000 0.959 691 D HN 0.160 nan 8.370 nan 0.000 0.452 692 F N 1.113 120.977 119.950 -0.143 0.000 2.095 692 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 692 F C 2.341 178.071 175.800 -0.116 0.000 1.104 692 F CA 0.969 58.881 58.000 -0.147 0.000 1.232 692 F CB -0.877 37.985 39.000 -0.230 0.000 0.987 692 F HN 0.006 nan 8.300 nan 0.000 0.475 693 K N 0.442 120.893 120.400 0.085 0.000 2.063 693 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 693 K C 1.945 178.551 176.600 0.010 0.000 1.048 693 K CA 1.212 57.511 56.287 0.020 0.000 0.928 693 K CB -0.958 31.529 32.500 -0.021 0.000 0.713 693 K HN 0.436 nan 8.250 nan 0.000 0.442 694 Q N 0.190 119.992 119.800 0.005 0.000 2.226 694 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 694 Q C 1.570 177.577 176.000 0.011 0.000 0.975 694 Q CA 1.101 56.906 55.803 0.003 0.000 0.866 694 Q CB 0.016 28.752 28.738 -0.003 0.000 0.915 694 Q HN 0.243 nan 8.270 nan 0.000 0.440 695 R N -0.933 119.581 120.500 0.023 0.000 2.393 695 R HA 0.139 4.479 4.340 -0.000 0.000 0.244 695 R C 0.644 176.937 176.300 -0.011 0.000 0.920 695 R CA 0.459 56.565 56.100 0.010 0.000 1.076 695 R CB 0.820 31.132 30.300 0.021 0.000 1.119 695 R HN 0.300 nan 8.270 nan 0.000 0.524 696 G N 1.256 110.050 108.800 -0.009 0.000 2.153 696 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 696 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 696 G C 0.203 175.070 174.900 -0.055 0.000 0.994 696 G CA 0.094 45.181 45.100 -0.021 0.000 0.698 696 G HN 0.155 nan 8.290 nan 0.000 0.521 697 V N 2.694 122.546 119.914 -0.104 0.000 2.521 697 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 697 V C -0.933 175.063 176.094 -0.164 0.000 1.034 697 V CA -0.757 61.396 62.300 -0.245 0.000 1.045 697 V CB 1.111 32.547 31.823 -0.646 0.000 0.974 697 V HN 0.309 nan 8.190 nan 0.000 0.480 698 P HA 0.264 nan 4.420 nan 0.000 0.268 698 P C -0.640 176.687 177.300 0.045 0.000 1.282 698 P CA 0.348 63.452 63.100 0.007 0.000 0.880 698 P CB 0.686 32.420 31.700 0.056 0.000 0.971 699 I N 3.025 123.595 120.570 0.000 0.000 2.571 699 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 699 I C -0.034 176.133 176.117 0.083 0.000 1.115 699 I CA -0.645 60.644 61.300 -0.018 0.000 1.045 699 I CB 2.393 40.232 38.000 -0.268 0.000 1.238 699 I HN 0.051 nan 8.210 nan 0.000 0.424 700 D N 5.706 126.204 120.400 0.163 0.000 2.423 700 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 700 D C 0.164 176.555 176.300 0.152 0.000 1.068 700 D CA 0.448 54.535 54.000 0.145 0.000 0.860 700 D CB 0.887 41.780 40.800 0.154 0.000 0.992 700 D HN 0.491 nan 8.370 nan 0.000 0.504 701 c N -0.225 118.484 118.600 0.181 0.000 3.288 701 c HA 0.692 5.262 4.570 -0.000 0.000 0.318 701 c C -1.632 172.559 174.090 0.168 0.000 1.356 701 c CA -0.518 55.916 56.329 0.175 0.000 1.359 701 c CB 1.357 43.970 42.510 0.171 0.000 1.688 701 c HN -0.095 nan 8.230 nan 0.000 0.467 702 V N 2.607 122.596 119.914 0.126 0.000 2.483 702 V HA 0.727 4.847 4.120 -0.000 0.000 0.297 702 V C 0.745 176.777 176.094 -0.104 0.000 1.027 702 V CA 0.396 62.674 62.300 -0.036 0.000 0.855 702 V CB 1.578 33.262 31.823 -0.231 0.000 0.995 702 V HN 1.307 nan 8.190 nan 0.000 0.424 703 G N 3.532 112.214 108.800 -0.197 0.000 2.319 703 G HA2 0.597 4.557 3.960 -0.000 0.000 0.308 703 G HA3 0.597 4.557 3.960 -0.000 0.000 0.308 703 G C -0.982 173.716 174.900 -0.337 0.000 1.117 703 G CA -0.233 44.785 45.100 -0.136 0.000 0.903 703 G HN 0.442 nan 8.290 nan 0.000 0.436 704 F N 1.692 121.611 119.950 -0.052 0.000 2.313 704 F HA 0.267 4.794 4.527 -0.000 0.000 0.369 704 F C 1.752 177.477 175.800 -0.124 0.000 1.109 704 F CA -0.564 57.422 58.000 -0.023 0.000 1.132 704 F CB 1.670 40.780 39.000 0.182 0.000 1.291 704 F HN 0.552 nan 8.300 nan 0.000 0.496 705 Q N 1.350 121.068 119.800 -0.137 0.000 2.133 705 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 705 Q C 0.753 176.447 176.000 -0.510 0.000 0.991 705 Q CA 1.738 57.323 55.803 -0.362 0.000 0.867 705 Q CB -0.156 28.400 28.738 -0.303 0.000 0.911 705 Q HN 0.762 nan 8.270 nan 0.000 0.417 706 S N 0.196 115.628 115.700 -0.447 0.000 3.797 706 S HA -0.123 4.347 4.470 -0.000 0.000 0.374 706 S C -0.802 173.177 174.600 -1.034 0.000 0.970 706 S CA 0.108 57.774 58.200 -0.889 0.000 1.177 706 S CB -1.511 61.421 63.200 -0.447 0.000 0.891 706 S HN 0.399 nan 8.310 nan 0.000 0.491 707 H N 0.639 119.372 119.070 -0.563 0.000 2.872 707 H HA 0.353 4.909 4.556 -0.000 0.000 0.273 707 H C -0.014 175.151 175.328 -0.271 0.000 1.205 707 H CA -0.170 55.731 56.048 -0.244 0.000 1.342 707 H CB -0.167 29.593 29.762 -0.004 0.000 1.469 707 H HN 0.279 nan 8.280 nan 0.000 0.487 708 F N 3.054 123.101 119.950 0.162 0.000 2.408 708 F HA 0.204 4.731 4.527 -0.000 0.000 0.344 708 F C 0.708 176.572 175.800 0.107 0.000 1.112 708 F CA -0.720 57.356 58.000 0.127 0.000 1.096 708 F CB 1.007 40.048 39.000 0.067 0.000 1.129 708 F HN 0.533 nan 8.300 nan 0.000 0.486 709 N N -2.071 116.812 118.700 0.305 0.000 3.020 709 N HA 0.216 4.956 4.740 -0.000 0.000 0.248 709 N C 0.049 175.659 175.510 0.167 0.000 1.480 709 N CA -0.451 52.706 53.050 0.179 0.000 0.874 709 N CB 0.603 39.150 38.487 0.101 0.000 1.433 709 N HN 0.224 nan 8.380 nan 0.000 0.530 710 S N -2.110 113.657 115.700 0.113 0.000 2.465 710 S HA -0.031 4.439 4.470 -0.000 0.000 0.241 710 S C 1.583 176.249 174.600 0.111 0.000 1.000 710 S CA 1.065 59.326 58.200 0.102 0.000 0.964 710 S CB -1.138 62.104 63.200 0.070 0.000 0.763 710 S HN 0.793 nan 8.310 nan 0.000 0.512 711 G N 1.221 110.084 108.800 0.105 0.000 2.430 711 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 711 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 711 G C 0.669 175.658 174.900 0.148 0.000 1.146 711 G CA 0.484 45.642 45.100 0.096 0.000 0.793 711 G HN 0.891 nan 8.290 nan 0.000 0.537 712 S N 1.029 116.857 115.700 0.214 0.000 2.204 712 S HA 0.481 4.951 4.470 -0.000 0.000 0.147 712 S C -2.938 171.958 174.600 0.494 0.000 1.711 712 S CA -1.285 57.135 58.200 0.367 0.000 1.274 712 S CB 2.309 65.639 63.200 0.217 0.000 1.257 712 S HN 0.125 nan 8.310 nan 0.000 0.404 713 P HA 0.091 nan 4.420 nan 0.000 0.272 713 P C -0.323 177.074 177.300 0.161 0.000 1.223 713 P CA -0.252 63.008 63.100 0.266 0.000 0.784 713 P CB 0.475 32.263 31.700 0.147 0.000 0.923 714 Y N 2.619 122.760 120.300 -0.266 0.000 2.480 714 Y HA 0.197 4.747 4.550 -0.000 0.000 0.338 714 Y C 0.052 175.740 175.900 -0.353 0.000 1.220 714 Y CA 0.360 57.999 58.100 -0.769 0.000 1.430 714 Y CB 0.360 38.170 38.460 -1.082 0.000 1.311 714 Y HN 0.369 nan 8.280 nan 0.000 0.575 715 N N 2.166 120.061 118.700 -1.342 0.000 2.287 715 N HA 0.073 4.812 4.740 -0.000 0.000 0.289 715 N C 0.177 175.021 175.510 -1.110 0.000 1.066 715 N CA 0.218 52.720 53.050 -0.913 0.000 0.841 715 N CB 2.097 40.273 38.487 -0.519 0.000 1.599 715 N HN 0.812 nan 8.380 nan 0.000 0.476 716 S N 2.414 117.759 115.700 -0.592 0.000 2.440 716 S HA -0.236 4.234 4.470 -0.000 0.000 0.240 716 S C 1.260 175.764 174.600 -0.160 0.000 1.014 716 S CA 1.562 59.611 58.200 -0.251 0.000 0.980 716 S CB -0.563 62.601 63.200 -0.060 0.000 0.775 716 S HN 0.784 nan 8.310 nan 0.000 0.499 717 N N 1.130 119.722 118.700 -0.181 0.000 2.609 717 N HA -0.087 4.653 4.740 -0.000 0.000 0.190 717 N C 1.050 176.559 175.510 -0.002 0.000 1.157 717 N CA 0.604 53.603 53.050 -0.085 0.000 0.918 717 N CB -1.047 37.406 38.487 -0.057 0.000 0.978 717 N HN 0.429 nan 8.380 nan 0.000 0.448 718 F N 1.844 121.661 119.950 -0.221 0.000 2.161 718 F HA -0.051 4.476 4.527 -0.000 0.000 0.300 718 F C 2.342 178.095 175.800 -0.078 0.000 1.089 718 F CA 1.065 58.993 58.000 -0.119 0.000 1.282 718 F CB -0.413 38.538 39.000 -0.081 0.000 1.010 718 F HN 0.110 nan 8.300 nan 0.000 0.485 719 R N -0.155 120.279 120.500 -0.110 0.000 2.105 719 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 719 R C 2.338 178.504 176.300 -0.223 0.000 1.135 719 R CA 2.142 58.108 56.100 -0.225 0.000 0.967 719 R CB -0.608 29.627 30.300 -0.108 0.000 0.861 719 R HN 0.494 nan 8.270 nan 0.000 0.442 720 T N -2.656 111.795 114.554 -0.171 0.000 2.821 720 T HA -0.060 4.289 4.350 -0.000 0.000 0.267 720 T C 1.836 176.396 174.700 -0.234 0.000 1.046 720 T CA 1.656 63.617 62.100 -0.233 0.000 1.139 720 T CB -0.454 68.238 68.868 -0.292 0.000 0.871 720 T HN 0.170 nan 8.240 nan 0.000 0.454 721 T N 2.589 117.105 114.554 -0.063 0.000 2.652 721 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 721 T C 1.893 176.663 174.700 0.117 0.000 1.039 721 T CA 1.593 63.825 62.100 0.220 0.000 1.153 721 T CB -0.586 68.541 68.868 0.431 0.000 0.863 721 T HN 0.313 nan 8.240 nan 0.000 0.428 722 L N 0.700 121.753 121.223 -0.284 0.000 2.042 722 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 722 L C 2.935 179.752 176.870 -0.089 0.000 1.076 722 L CA 1.506 56.136 54.840 -0.350 0.000 0.749 722 L CB -0.660 41.030 42.059 -0.615 0.000 0.893 722 L HN 0.349 nan 8.230 nan 0.000 0.432 723 Q N -0.287 119.434 119.800 -0.130 0.000 2.084 723 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 723 Q C 2.050 178.024 176.000 -0.044 0.000 0.978 723 Q CA 1.473 57.220 55.803 -0.093 0.000 0.844 723 Q CB -0.196 28.457 28.738 -0.141 0.000 0.898 723 Q HN 0.497 nan 8.270 nan 0.000 0.426 724 N N 0.290 118.939 118.700 -0.084 0.000 2.084 724 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 724 N C 1.482 177.106 175.510 0.190 0.000 1.030 724 N CA 1.243 54.233 53.050 -0.099 0.000 0.849 724 N CB -0.387 37.806 38.487 -0.490 0.000 1.012 724 N HN 0.171 nan 8.380 nan 0.000 0.423 725 F N 1.179 121.280 119.950 0.253 0.000 2.186 725 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 725 F C 2.349 178.235 175.800 0.143 0.000 1.090 725 F CA 0.875 59.046 58.000 0.286 0.000 1.307 725 F CB -0.551 38.683 39.000 0.389 0.000 1.019 725 F HN 0.008 nan 8.300 nan 0.000 0.489 726 A N 0.046 123.024 122.820 0.264 0.000 1.940 726 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 726 A C 2.359 179.997 177.584 0.091 0.000 1.176 726 A CA 1.698 53.819 52.037 0.140 0.000 0.631 726 A CB -1.257 17.782 19.000 0.066 0.000 0.814 726 A HN 0.303 nan 8.150 nan 0.000 0.446 727 A N -0.499 122.365 122.820 0.073 0.000 2.067 727 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 727 A C 1.903 179.507 177.584 0.035 0.000 1.158 727 A CA 1.143 53.204 52.037 0.039 0.000 0.661 727 A CB -0.514 18.498 19.000 0.019 0.000 0.801 727 A HN 0.485 nan 8.150 nan 0.000 0.452 728 L N -1.204 120.041 121.223 0.038 0.000 2.610 728 L HA 0.113 4.453 4.340 -0.000 0.000 0.232 728 L C 1.559 178.433 176.870 0.006 0.000 1.149 728 L CA 0.591 55.418 54.840 -0.022 0.000 0.872 728 L CB -0.316 41.669 42.059 -0.123 0.000 0.992 728 L HN 0.583 nan 8.230 nan 0.000 0.447 729 G N 0.664 109.487 108.800 0.038 0.000 2.140 729 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.211 729 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.211 729 G C -0.012 174.925 174.900 0.062 0.000 1.013 729 G CA 0.042 45.167 45.100 0.041 0.000 0.705 729 G HN 0.233 nan 8.290 nan 0.000 0.508 730 V N -3.386 116.584 119.914 0.093 0.000 3.001 730 V HA 0.872 4.992 4.120 -0.000 0.000 0.314 730 V C -0.213 175.962 176.094 0.135 0.000 1.099 730 V CA -1.571 60.800 62.300 0.118 0.000 0.989 730 V CB 2.145 34.055 31.823 0.146 0.000 1.040 730 V HN 0.036 nan 8.190 nan 0.000 0.434 731 D N 1.343 121.822 120.400 0.132 0.000 2.354 731 D HA 0.604 5.243 4.640 -0.000 0.000 0.247 731 D C -0.098 176.300 176.300 0.163 0.000 1.138 731 D CA 0.114 54.190 54.000 0.127 0.000 0.958 731 D CB 2.073 42.944 40.800 0.118 0.000 1.144 731 D HN 0.946 nan 8.370 nan 0.000 0.458 732 V N -2.705 117.298 119.914 0.148 0.000 2.823 732 V HA 0.941 5.061 4.120 -0.000 0.000 0.312 732 V C -0.904 175.284 176.094 0.157 0.000 1.072 732 V CA -0.936 61.488 62.300 0.206 0.000 0.937 732 V CB 1.540 33.467 31.823 0.173 0.000 1.013 732 V HN 0.674 nan 8.190 nan 0.000 0.430 733 A N 3.907 126.864 122.820 0.229 0.000 2.520 733 A HA 0.848 5.168 4.320 -0.000 0.000 0.298 733 A C -0.915 176.798 177.584 0.215 0.000 1.051 733 A CA -0.683 51.453 52.037 0.165 0.000 0.690 733 A CB 1.564 20.676 19.000 0.187 0.000 1.281 733 A HN 0.968 nan 8.150 nan 0.000 0.402 734 I N 2.951 123.601 120.570 0.133 0.000 2.291 734 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 734 I C 1.548 177.696 176.117 0.050 0.000 1.064 734 I CA 0.089 61.476 61.300 0.144 0.000 1.269 734 I CB 1.367 39.447 38.000 0.132 0.000 1.418 734 I HN 0.916 nan 8.210 nan 0.000 0.485 735 T N 1.014 115.566 114.554 -0.003 0.000 3.031 735 T HA 0.132 4.482 4.350 -0.000 0.000 0.254 735 T C 0.849 175.454 174.700 -0.159 0.000 1.060 735 T CA 0.406 62.460 62.100 -0.076 0.000 1.135 735 T CB 0.084 68.863 68.868 -0.148 0.000 0.896 735 T HN 0.570 nan 8.240 nan 0.000 0.472 736 E N 0.944 120.951 120.200 -0.322 0.000 3.729 736 E HA 0.318 4.667 4.350 -0.000 0.000 0.195 736 E C -1.065 175.308 176.600 -0.377 0.000 1.005 736 E CA -0.512 55.622 56.400 -0.444 0.000 1.356 736 E CB 0.680 29.671 29.700 -1.181 0.000 1.138 736 E HN 0.211 nan 8.360 nan 0.000 0.450 737 L N 3.130 124.286 121.223 -0.112 0.000 2.559 737 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 737 L C -0.665 176.319 176.870 0.191 0.000 1.205 737 L CA 0.789 55.623 54.840 -0.010 0.000 0.907 737 L CB -0.010 42.115 42.059 0.111 0.000 1.153 737 L HN 0.189 nan 8.230 nan 0.000 0.490 738 D N 4.065 124.565 120.400 0.167 0.000 2.836 738 D HA 0.391 5.031 4.640 -0.000 0.000 0.215 738 D C -1.020 175.401 176.300 0.202 0.000 1.255 738 D CA -0.338 53.854 54.000 0.319 0.000 0.822 738 D CB 0.235 41.337 40.800 0.502 0.000 1.656 738 D HN 0.386 nan 8.370 nan 0.000 0.511 739 I N 1.066 121.721 120.570 0.141 0.000 2.410 739 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 739 I C 0.103 176.315 176.117 0.157 0.000 1.009 739 I CA -0.939 60.422 61.300 0.102 0.000 1.111 739 I CB 1.998 39.897 38.000 -0.169 0.000 1.262 739 I HN 0.399 nan 8.210 nan 0.000 0.443 740 Q N 5.452 125.341 119.800 0.147 0.000 2.239 740 Q HA 0.130 4.470 4.340 -0.000 0.000 0.286 740 Q C 1.091 177.151 176.000 0.100 0.000 1.102 740 Q CA 1.387 57.256 55.803 0.109 0.000 0.936 740 Q CB 0.317 29.106 28.738 0.084 0.000 1.127 740 Q HN 1.028 nan 8.270 nan 0.000 0.380 741 G N 3.170 112.029 108.800 0.099 0.000 2.234 741 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.235 741 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.235 741 G C 0.499 175.467 174.900 0.114 0.000 0.997 741 G CA 0.096 45.246 45.100 0.083 0.000 0.623 741 G HN 1.852 nan 8.290 nan 0.000 0.514 742 A N -0.921 122.013 122.820 0.191 0.000 2.745 742 A HA 0.071 4.391 4.320 -0.000 0.000 0.296 742 A C 1.281 179.028 177.584 0.272 0.000 1.500 742 A CA 1.840 54.077 52.037 0.335 0.000 0.766 742 A CB -2.006 17.150 19.000 0.260 0.000 1.030 742 A HN 2.463 nan 8.150 nan 0.000 0.489 743 S N -0.120 115.684 115.700 0.172 0.000 2.563 743 S HA 0.296 4.765 4.470 -0.000 0.000 0.294 743 S C 1.574 176.273 174.600 0.165 0.000 1.279 743 S CA 0.461 58.723 58.200 0.104 0.000 1.069 743 S CB 0.482 63.705 63.200 0.038 0.000 0.828 743 S HN 1.031 nan 8.310 nan 0.000 0.497 744 S N 4.200 119.961 115.700 0.102 0.000 2.368 744 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 744 S C 2.206 176.871 174.600 0.107 0.000 1.030 744 S CA 1.543 59.815 58.200 0.121 0.000 0.999 744 S CB -0.424 62.844 63.200 0.112 0.000 0.844 744 S HN 0.795 nan 8.310 nan 0.000 0.459 745 S N 1.263 116.999 115.700 0.059 0.000 2.356 745 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 745 S C 2.146 176.715 174.600 -0.051 0.000 1.032 745 S CA 1.584 59.797 58.200 0.022 0.000 1.005 745 S CB -0.666 62.544 63.200 0.016 0.000 0.867 745 S HN 0.598 nan 8.310 nan 0.000 0.449 746 T N 0.711 115.208 114.554 -0.095 0.000 2.821 746 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 746 T C 1.509 176.026 174.700 -0.305 0.000 1.046 746 T CA 1.094 63.009 62.100 -0.310 0.000 1.139 746 T CB -0.407 68.292 68.868 -0.282 0.000 0.871 746 T HN 0.343 nan 8.240 nan 0.000 0.454 747 Y N 1.528 121.762 120.300 -0.110 0.000 2.181 747 Y HA 0.022 4.572 4.550 -0.000 0.000 0.288 747 Y C 2.678 178.552 175.900 -0.044 0.000 1.146 747 Y CA 0.707 58.786 58.100 -0.035 0.000 1.164 747 Y CB -0.652 37.823 38.460 0.024 0.000 0.982 747 Y HN 0.205 nan 8.280 nan 0.000 0.515 748 A N -0.493 122.391 122.820 0.107 0.000 1.929 748 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 748 A C 2.409 179.988 177.584 -0.008 0.000 1.176 748 A CA 1.475 53.543 52.037 0.052 0.000 0.628 748 A CB -1.166 17.856 19.000 0.037 0.000 0.816 748 A HN 0.398 nan 8.150 nan 0.000 0.444 749 A N -0.400 122.355 122.820 -0.109 0.000 1.877 749 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 749 A C 2.214 179.717 177.584 -0.136 0.000 1.186 749 A CA 1.853 53.793 52.037 -0.162 0.000 0.620 749 A CB -0.982 17.802 19.000 -0.360 0.000 0.822 749 A HN 0.387 nan 8.150 nan 0.000 0.443 750 V N -0.194 119.573 119.914 -0.246 0.000 2.343 750 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 750 V C 2.742 178.912 176.094 0.127 0.000 1.051 750 V CA 2.450 64.759 62.300 0.015 0.000 1.036 750 V CB -1.258 30.571 31.823 0.010 0.000 0.654 750 V HN 0.621 nan 8.190 nan 0.000 0.451 751 T N 0.301 114.921 114.554 0.110 0.000 2.708 751 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 751 T C 1.828 176.572 174.700 0.074 0.000 1.037 751 T CA 1.609 63.789 62.100 0.133 0.000 1.146 751 T CB -0.384 68.577 68.868 0.156 0.000 0.865 751 T HN 0.421 nan 8.240 nan 0.000 0.435 752 N N 1.306 120.035 118.700 0.049 0.000 2.289 752 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 752 N C 1.476 176.997 175.510 0.017 0.000 1.016 752 N CA 0.850 53.917 53.050 0.028 0.000 0.872 752 N CB -0.345 38.155 38.487 0.022 0.000 0.973 752 N HN 0.378 nan 8.380 nan 0.000 0.433 753 D N 0.254 120.677 120.400 0.037 0.000 2.117 753 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 753 D C 2.016 178.263 176.300 -0.088 0.000 0.982 753 D CA 0.557 54.549 54.000 -0.013 0.000 0.828 753 D CB -0.506 40.322 40.800 0.047 0.000 0.967 753 D HN 0.198 nan 8.370 nan 0.000 0.464 754 c N 0.527 119.097 118.600 -0.050 0.000 2.440 754 c HA -0.020 4.550 4.570 -0.000 0.000 0.278 754 c C 2.702 176.756 174.090 -0.059 0.000 1.295 754 c CA 0.267 56.550 56.329 -0.076 0.000 1.738 754 c CB -1.230 41.259 42.510 -0.035 0.000 1.987 754 c HN 0.285 nan 8.230 nan 0.000 0.492 755 L N 0.865 122.072 121.223 -0.027 0.000 2.362 755 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 755 L C 2.717 179.569 176.870 -0.030 0.000 1.134 755 L CA 1.199 56.026 54.840 -0.021 0.000 0.807 755 L CB -0.526 41.532 42.059 -0.002 0.000 0.927 755 L HN 0.463 nan 8.230 nan 0.000 0.447 756 A N -0.816 121.978 122.820 -0.043 0.000 2.178 756 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 756 A C 0.884 178.431 177.584 -0.062 0.000 1.157 756 A CA 0.205 52.213 52.037 -0.048 0.000 0.780 756 A CB 0.165 19.135 19.000 -0.051 0.000 0.828 756 A HN 0.120 nan 8.150 nan 0.000 0.476 757 V N 1.703 121.571 119.914 -0.077 0.000 2.293 757 V HA 0.131 4.251 4.120 -0.000 0.000 0.275 757 V C 1.497 177.560 176.094 -0.052 0.000 1.021 757 V CA 0.244 62.497 62.300 -0.078 0.000 0.815 757 V CB 0.706 32.455 31.823 -0.123 0.000 1.025 757 V HN 0.616 nan 8.190 nan 0.000 0.448 758 S N 4.561 120.241 115.700 -0.033 0.000 2.392 758 S HA -0.251 4.219 4.470 -0.000 0.000 0.232 758 S C 1.625 176.220 174.600 -0.008 0.000 1.041 758 S CA 1.373 59.563 58.200 -0.018 0.000 1.026 758 S CB -0.325 62.870 63.200 -0.009 0.000 0.845 758 S HN 0.716 nan 8.310 nan 0.000 0.465 759 R N -0.107 120.390 120.500 -0.004 0.000 2.313 759 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 759 R C 0.364 176.671 176.300 0.012 0.000 0.958 759 R CA 0.131 56.241 56.100 0.018 0.000 1.047 759 R CB -0.473 29.850 30.300 0.038 0.000 0.955 759 R HN 0.476 nan 8.270 nan 0.000 0.481 760 c N 1.558 120.143 118.600 -0.026 0.000 2.416 760 c HA 0.189 4.759 4.570 -0.000 0.000 0.355 760 c C 1.860 175.910 174.090 -0.065 0.000 1.211 760 c CA -0.687 55.612 56.329 -0.049 0.000 1.699 760 c CB -1.009 41.445 42.510 -0.094 0.000 2.310 760 c HN 0.503 nan 8.230 nan 0.000 0.539 761 L N 5.421 126.616 121.223 -0.046 0.000 2.201 761 L HA 0.225 4.565 4.340 -0.000 0.000 0.212 761 L C 1.565 178.174 176.870 -0.436 0.000 1.105 761 L CA 1.177 55.973 54.840 -0.073 0.000 0.775 761 L CB -0.738 41.400 42.059 0.131 0.000 0.913 761 L HN 0.948 nan 8.230 nan 0.000 0.440 762 G N -0.647 107.799 108.800 -0.589 0.000 2.327 762 G HA2 0.368 4.328 3.960 -0.000 0.000 0.291 762 G HA3 0.368 4.328 3.960 -0.000 0.000 0.291 762 G C -1.793 172.743 174.900 -0.607 0.000 1.290 762 G CA -0.785 43.724 45.100 -0.984 0.000 0.857 762 G HN -0.095 nan 8.290 nan 0.000 0.520 763 I N 0.397 120.618 120.570 -0.581 0.000 2.533 763 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 763 I C -0.562 175.253 176.117 -0.503 0.000 1.056 763 I CA -0.663 60.371 61.300 -0.443 0.000 1.057 763 I CB 2.698 40.379 38.000 -0.533 0.000 1.240 763 I HN 0.381 nan 8.210 nan 0.000 0.423 764 T N 5.229 119.660 114.554 -0.205 0.000 2.812 764 T HA 0.452 4.802 4.350 -0.000 0.000 0.282 764 T C -0.332 174.353 174.700 -0.025 0.000 0.990 764 T CA -0.538 61.499 62.100 -0.104 0.000 0.960 764 T CB 1.693 70.596 68.868 0.057 0.000 0.948 764 T HN 0.381 nan 8.240 nan 0.000 0.438 765 V N 1.217 121.156 119.914 0.042 0.000 2.539 765 V HA 0.483 4.603 4.120 -0.000 0.000 0.292 765 V C 0.205 176.440 176.094 0.236 0.000 1.045 765 V CA -1.122 61.320 62.300 0.236 0.000 0.945 765 V CB 1.299 33.377 31.823 0.425 0.000 0.993 765 V HN 1.007 nan 8.190 nan 0.000 0.464 766 W N 5.312 126.645 121.300 0.055 0.000 1.438 766 W HA 0.545 5.205 4.660 -0.000 0.000 0.455 766 W C 0.577 177.155 176.519 0.099 0.000 0.656 766 W CA 0.685 58.045 57.345 0.025 0.000 2.049 766 W CB 0.026 29.520 29.460 0.057 0.000 1.683 766 W HN 1.232 nan 8.180 nan 0.000 0.228 767 G N 0.096 108.838 108.800 -0.098 0.000 2.340 767 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.527 767 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.527 767 G C -0.614 174.310 174.900 0.040 0.000 1.381 767 G CA -0.638 44.429 45.100 -0.055 0.000 1.001 767 G HN 0.043 nan 8.290 nan 0.000 0.626 768 V N 0.291 120.253 119.914 0.081 0.000 2.484 768 V HA 0.317 4.437 4.120 -0.000 0.000 0.236 768 V C 1.474 177.733 176.094 0.274 0.000 1.062 768 V CA 1.488 63.861 62.300 0.121 0.000 1.081 768 V CB -0.395 31.328 31.823 -0.166 0.000 0.751 768 V HN 0.686 nan 8.190 nan 0.000 0.484 769 R N 0.542 121.182 120.500 0.234 0.000 2.720 769 R HA 0.320 4.660 4.340 -0.000 0.000 0.272 769 R C 0.558 176.987 176.300 0.215 0.000 0.991 769 R CA -0.663 55.588 56.100 0.253 0.000 1.010 769 R CB 0.924 31.341 30.300 0.195 0.000 1.141 769 R HN 0.135 nan 8.270 nan 0.000 0.494 770 D N 0.701 121.216 120.400 0.192 0.000 2.158 770 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 770 D C 1.650 178.028 176.300 0.130 0.000 0.995 770 D CA 2.170 56.266 54.000 0.159 0.000 0.846 770 D CB -0.150 40.722 40.800 0.122 0.000 0.941 770 D HN 0.694 nan 8.370 nan 0.000 0.456 771 T N -1.490 113.132 114.554 0.112 0.000 3.007 771 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 771 T C 1.165 175.914 174.700 0.082 0.000 1.107 771 T CA 0.824 62.974 62.100 0.083 0.000 1.118 771 T CB 0.028 68.935 68.868 0.065 0.000 0.889 771 T HN 0.004 nan 8.240 nan 0.000 0.506 772 D N 1.222 121.690 120.400 0.112 0.000 2.354 772 D HA 0.131 4.771 4.640 -0.000 0.000 0.209 772 D C 0.953 177.329 176.300 0.126 0.000 1.015 772 D CA 0.159 54.217 54.000 0.096 0.000 0.867 772 D CB 0.048 40.939 40.800 0.152 0.000 0.933 772 D HN 0.427 nan 8.370 nan 0.000 0.520 773 S N 1.247 117.054 115.700 0.178 0.000 2.572 773 S HA 0.002 4.472 4.470 -0.000 0.000 0.279 773 S C 1.313 176.100 174.600 0.312 0.000 1.341 773 S CA -0.763 57.608 58.200 0.285 0.000 1.043 773 S CB 0.543 63.911 63.200 0.281 0.000 0.887 773 S HN 0.349 nan 8.310 nan 0.000 0.516 774 W N 4.962 126.336 121.300 0.123 0.000 2.611 774 W HA 0.146 4.806 4.660 0.000 0.000 0.251 774 W C 0.259 176.821 176.519 0.072 0.000 1.265 774 W CA -0.010 57.399 57.345 0.106 0.000 1.295 774 W CB -0.764 28.800 29.460 0.173 0.000 1.129 774 W HN 0.621 nan 8.180 nan 0.000 0.630 775 R N 1.360 121.717 120.500 -0.240 0.000 2.674 775 R HA 0.075 4.415 4.340 -0.000 0.000 0.270 775 R C 1.553 177.795 176.300 -0.097 0.000 1.492 775 R CA 0.487 56.375 56.100 -0.352 0.000 1.624 775 R CB 0.475 30.361 30.300 -0.690 0.000 1.307 775 R HN 0.037 nan 8.270 nan 0.000 0.683 776 S N -0.964 114.731 115.700 -0.010 0.000 2.400 776 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 776 S C 2.009 176.619 174.600 0.017 0.000 1.025 776 S CA 1.331 59.553 58.200 0.036 0.000 0.993 776 S CB -0.167 63.061 63.200 0.047 0.000 0.808 776 S HN 0.562 nan 8.310 nan 0.000 0.478 777 G N 1.505 110.296 108.800 -0.015 0.000 2.479 777 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 777 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 777 G C 0.940 175.838 174.900 -0.004 0.000 1.115 777 G CA 0.948 46.042 45.100 -0.011 0.000 0.757 777 G HN 0.531 nan 8.290 nan 0.000 0.560 778 D N 0.404 120.796 120.400 -0.013 0.000 2.339 778 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 778 D C 1.466 177.799 176.300 0.055 0.000 1.050 778 D CA 1.039 55.045 54.000 0.010 0.000 0.856 778 D CB -0.285 40.508 40.800 -0.013 0.000 0.922 778 D HN 0.371 nan 8.370 nan 0.000 0.518 779 T N -0.228 114.364 114.554 0.064 0.000 3.290 779 T HA -0.149 4.201 4.350 -0.000 0.000 0.422 779 T C -1.951 172.831 174.700 0.136 0.000 0.771 779 T CA 0.159 62.314 62.100 0.091 0.000 2.100 779 T CB -1.034 67.871 68.868 0.062 0.000 1.676 779 T HN 0.155 nan 8.240 nan 0.000 0.613 780 P HA 0.405 nan 4.420 nan 0.000 0.272 780 P C 0.580 178.114 177.300 0.389 0.000 1.408 780 P CA -0.406 62.855 63.100 0.268 0.000 0.996 780 P CB 0.462 32.307 31.700 0.241 0.000 1.481 781 L N -0.844 120.569 121.223 0.317 0.000 2.585 781 L HA 0.414 4.754 4.340 -0.000 0.000 0.260 781 L C 1.848 178.814 176.870 0.160 0.000 1.085 781 L CA -1.035 54.002 54.840 0.330 0.000 0.913 781 L CB 0.435 42.686 42.059 0.321 0.000 1.638 781 L HN -0.285 nan 8.230 nan 0.000 0.531 782 L N -0.756 120.541 121.223 0.124 0.000 2.616 782 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 782 L C -0.677 175.970 176.870 -0.372 0.000 1.110 782 L CA 0.215 54.964 54.840 -0.152 0.000 0.884 782 L CB 0.177 42.141 42.059 -0.159 0.000 1.115 782 L HN 0.220 nan 8.230 nan 0.000 0.481 783 F N 0.091 120.094 119.950 0.089 0.000 2.565 783 F HA 0.311 4.838 4.527 -0.000 0.000 0.313 783 F C 0.299 176.124 175.800 0.042 0.000 1.091 783 F CA -1.374 56.649 58.000 0.038 0.000 0.915 783 F CB 1.225 40.248 39.000 0.038 0.000 1.208 783 F HN -0.077 nan 8.300 nan 0.000 0.453 784 N N 0.155 118.952 118.700 0.161 0.000 2.448 784 N HA 0.376 5.116 4.740 -0.000 0.000 0.274 784 N C 1.188 176.767 175.510 0.114 0.000 1.239 784 N CA -0.240 52.873 53.050 0.104 0.000 0.982 784 N CB 0.121 38.628 38.487 0.032 0.000 1.199 784 N HN 0.634 nan 8.380 nan 0.000 0.576 785 G N -0.903 107.944 108.800 0.079 0.000 2.475 785 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 785 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 785 G C 0.692 175.627 174.900 0.058 0.000 1.125 785 G CA 0.891 46.032 45.100 0.069 0.000 0.755 785 G HN 0.679 nan 8.290 nan 0.000 0.565 786 D N 0.266 120.693 120.400 0.045 0.000 2.312 786 D HA 0.092 4.732 4.640 -0.000 0.000 0.211 786 D C 2.142 178.467 176.300 0.042 0.000 0.964 786 D CA 1.200 55.218 54.000 0.031 0.000 0.877 786 D CB -0.166 40.639 40.800 0.009 0.000 0.924 786 D HN 0.470 nan 8.370 nan 0.000 0.515 787 G N 0.601 109.449 108.800 0.080 0.000 2.175 787 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 787 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 787 G C 0.409 175.408 174.900 0.165 0.000 0.982 787 G CA 0.471 45.625 45.100 0.090 0.000 0.641 787 G HN 0.480 nan 8.290 nan 0.000 0.527 788 S N -0.177 115.595 115.700 0.120 0.000 2.584 788 S HA 0.646 5.116 4.470 -0.000 0.000 0.273 788 S C 0.232 174.843 174.600 0.019 0.000 1.311 788 S CA -0.477 57.760 58.200 0.063 0.000 1.034 788 S CB 1.719 64.904 63.200 -0.025 0.000 0.939 788 S HN 0.420 nan 8.310 nan 0.000 0.513 789 K N 1.923 122.227 120.400 -0.160 0.000 2.412 789 K HA 0.153 4.473 4.320 -0.000 0.000 0.281 789 K C 0.162 176.587 176.600 -0.292 0.000 1.027 789 K CA 0.085 56.069 56.287 -0.504 0.000 0.989 789 K CB 0.425 32.529 32.500 -0.660 0.000 0.935 789 K HN 0.546 nan 8.250 nan 0.000 0.475 790 K N 0.990 121.216 120.400 -0.291 0.000 2.098 790 K HA 0.206 4.526 4.320 -0.000 0.000 0.244 790 K C 1.181 177.733 176.600 -0.080 0.000 1.014 790 K CA -0.346 55.850 56.287 -0.152 0.000 0.917 790 K CB 0.873 33.294 32.500 -0.132 0.000 1.072 790 K HN 0.608 nan 8.250 nan 0.000 0.477 791 A N 1.094 123.897 122.820 -0.028 0.000 1.948 791 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 791 A C 2.142 179.752 177.584 0.042 0.000 1.177 791 A CA 2.304 54.381 52.037 0.068 0.000 0.636 791 A CB -0.942 18.116 19.000 0.095 0.000 0.815 791 A HN 0.786 nan 8.150 nan 0.000 0.449 792 A N -1.659 121.139 122.820 -0.037 0.000 1.969 792 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 792 A C 2.059 179.505 177.584 -0.231 0.000 1.169 792 A CA 1.534 53.501 52.037 -0.117 0.000 0.635 792 A CB -0.727 18.147 19.000 -0.210 0.000 0.810 792 A HN 0.773 nan 8.150 nan 0.000 0.445 793 Y N 1.273 121.365 120.300 -0.347 0.000 2.145 793 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 793 Y C 2.516 178.261 175.900 -0.258 0.000 1.145 793 Y CA 2.405 60.265 58.100 -0.401 0.000 1.148 793 Y CB -0.666 37.455 38.460 -0.565 0.000 0.981 793 Y HN 0.288 nan 8.280 nan 0.000 0.507 794 T N 0.694 115.251 114.554 0.005 0.000 2.821 794 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 794 T C 2.112 176.758 174.700 -0.091 0.000 1.046 794 T CA 1.202 63.295 62.100 -0.012 0.000 1.139 794 T CB -0.685 68.228 68.868 0.075 0.000 0.871 794 T HN 0.495 nan 8.240 nan 0.000 0.454 795 A N 1.012 123.800 122.820 -0.054 0.000 1.902 795 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 795 A C 2.561 180.102 177.584 -0.072 0.000 1.181 795 A CA 1.281 53.306 52.037 -0.019 0.000 0.623 795 A CB -0.965 18.064 19.000 0.048 0.000 0.818 795 A HN 0.352 nan 8.150 nan 0.000 0.443 796 V N -0.384 119.435 119.914 -0.160 0.000 2.270 796 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 796 V C 2.479 178.421 176.094 -0.254 0.000 1.043 796 V CA 1.906 64.102 62.300 -0.174 0.000 1.014 796 V CB -0.797 30.860 31.823 -0.277 0.000 0.645 796 V HN 0.578 nan 8.190 nan 0.000 0.447 797 L N 0.948 121.915 121.223 -0.427 0.000 2.042 797 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 797 L C 2.185 178.948 176.870 -0.179 0.000 1.076 797 L CA 2.055 56.670 54.840 -0.374 0.000 0.749 797 L CB -0.913 40.878 42.059 -0.447 0.000 0.893 797 L HN 0.337 nan 8.230 nan 0.000 0.432 798 N N -0.039 118.583 118.700 -0.130 0.000 2.188 798 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 798 N C 1.832 177.313 175.510 -0.048 0.000 1.018 798 N CA 1.484 54.493 53.050 -0.068 0.000 0.858 798 N CB -0.541 37.919 38.487 -0.045 0.000 0.989 798 N HN 0.520 nan 8.380 nan 0.000 0.426 799 A N 1.174 123.967 122.820 -0.045 0.000 1.902 799 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 799 A C 2.325 179.901 177.584 -0.014 0.000 1.181 799 A CA 0.873 52.901 52.037 -0.016 0.000 0.623 799 A CB -0.752 18.251 19.000 0.005 0.000 0.818 799 A HN 0.211 nan 8.150 nan 0.000 0.443 800 L N -0.174 121.030 121.223 -0.031 0.000 2.131 800 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 800 L C 1.445 178.302 176.870 -0.021 0.000 1.092 800 L CA 0.972 55.802 54.840 -0.017 0.000 0.759 800 L CB -0.499 41.535 42.059 -0.042 0.000 0.903 800 L HN 0.364 nan 8.230 nan 0.000 0.435 801 N N -0.041 118.638 118.700 -0.036 0.000 2.449 801 N HA 0.028 4.767 4.740 -0.000 0.000 0.191 801 N C 1.349 176.848 175.510 -0.017 0.000 1.161 801 N CA 0.978 54.012 53.050 -0.026 0.000 0.863 801 N CB 0.886 39.353 38.487 -0.033 0.000 0.980 801 N HN 0.453 nan 8.380 nan 0.000 0.458 802 G N -0.304 108.488 108.800 -0.014 0.000 2.213 802 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.236 802 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.236 802 G C 0.537 175.432 174.900 -0.009 0.000 0.991 802 G CA 0.267 45.362 45.100 -0.009 0.000 0.629 802 G HN 0.746 nan 8.290 nan 0.000 0.517 803 G N -0.691 108.101 108.800 -0.013 0.000 2.877 803 G HA2 0.180 4.140 3.960 -0.000 0.000 0.279 803 G HA3 0.180 4.140 3.960 -0.000 0.000 0.279 803 G C 0.196 175.091 174.900 -0.010 0.000 1.431 803 G CA 0.331 45.424 45.100 -0.011 0.000 0.883 803 G HN 1.680 nan 8.290 nan 0.000 0.547 804 S N -0.220 115.475 115.700 -0.009 0.000 2.560 804 S HA 0.380 4.850 4.470 -0.000 0.000 0.284 804 S C 1.665 176.262 174.600 -0.005 0.000 1.327 804 S CA 0.413 58.608 58.200 -0.008 0.000 1.055 804 S CB 1.234 64.429 63.200 -0.009 0.000 0.868 804 S HN 1.872 nan 8.310 nan 0.000 0.506 805 S N 0.525 116.221 115.700 -0.005 0.000 2.754 805 S HA 0.166 4.636 4.470 -0.000 0.000 0.223 805 S C 0.483 175.082 174.600 -0.002 0.000 0.951 805 S CA -0.230 57.967 58.200 -0.004 0.000 0.954 805 S CB -0.726 62.471 63.200 -0.005 0.000 0.780 805 S HN 0.834 nan 8.310 nan 0.000 0.509 806 T N -2.130 112.423 114.554 -0.001 0.000 2.868 806 T HA 0.593 4.943 4.350 -0.000 0.000 0.306 806 T C -3.579 171.124 174.700 0.004 0.000 1.224 806 T CA -1.954 60.147 62.100 0.001 0.000 1.012 806 T CB 0.707 69.576 68.868 0.001 0.000 1.221 806 T HN -0.145 nan 8.240 nan 0.000 0.499 807 P HA 0.320 nan 4.420 nan 0.000 0.261 807 P C -2.327 174.980 177.300 0.012 0.000 1.203 807 P CA -0.510 62.596 63.100 0.010 0.000 0.767 807 P CB -0.618 31.088 31.700 0.010 0.000 0.785 808 P HA 0.107 nan 4.420 nan 0.000 0.267 808 P C -2.265 175.050 177.300 0.026 0.000 1.200 808 P CA -0.897 62.215 63.100 0.019 0.000 0.772 808 P CB -0.595 31.121 31.700 0.028 0.000 0.855 809 P HA 0.034 nan 4.420 nan 0.000 0.262 809 P C -0.194 177.135 177.300 0.049 0.000 1.455 809 P CA 0.372 63.493 63.100 0.036 0.000 1.217 809 P CB -0.159 31.562 31.700 0.035 0.000 1.625 810 S N 2.860 118.584 115.700 0.040 0.000 2.548 810 S HA 0.439 4.909 4.470 -0.000 0.000 0.277 810 S C 1.314 175.936 174.600 0.037 0.000 1.315 810 S CA 0.464 58.689 58.200 0.042 0.000 1.050 810 S CB -0.320 62.900 63.200 0.033 0.000 0.918 810 S HN 0.755 nan 8.310 nan 0.000 0.497 811 G N 3.033 111.856 108.800 0.039 0.000 2.246 811 G HA2 0.156 4.116 3.960 -0.000 0.000 0.273 811 G HA3 0.156 4.116 3.960 -0.000 0.000 0.273 811 G C 1.086 176.003 174.900 0.029 0.000 1.055 811 G CA 0.338 45.455 45.100 0.030 0.000 0.851 811 G HN 2.002 nan 8.290 nan 0.000 0.500 812 G N -1.972 106.857 108.800 0.047 0.000 2.782 812 G HA2 0.544 4.504 3.960 -0.000 0.000 0.228 812 G HA3 0.544 4.504 3.960 -0.000 0.000 0.228 812 G C 1.019 175.948 174.900 0.048 0.000 1.372 812 G CA 0.699 45.830 45.100 0.051 0.000 0.862 812 G HN 2.742 nan 8.290 nan 0.000 0.547 813 G N -1.838 106.995 108.800 0.055 0.000 2.337 813 G HA2 0.607 4.567 3.960 -0.000 0.000 0.298 813 G HA3 0.607 4.567 3.960 -0.000 0.000 0.298 813 G C -0.757 174.200 174.900 0.096 0.000 1.335 813 G CA 0.184 45.316 45.100 0.054 0.000 0.875 813 G HN 0.980 nan 8.290 nan 0.000 0.579 814 Q N -0.928 118.922 119.800 0.083 0.000 2.312 814 Q HA 0.643 4.983 4.340 -0.000 0.000 0.236 814 Q C -0.291 175.767 176.000 0.096 0.000 0.965 814 Q CA -0.218 55.657 55.803 0.120 0.000 0.894 814 Q CB 1.957 30.745 28.738 0.083 0.000 1.225 814 Q HN 0.422 nan 8.270 nan 0.000 0.478 815 I N 1.978 122.598 120.570 0.083 0.000 2.464 815 I HA 0.227 4.397 4.170 -0.000 0.000 0.277 815 I C -0.360 175.840 176.117 0.139 0.000 1.040 815 I CA -0.602 60.699 61.300 0.001 0.000 1.153 815 I CB 0.917 38.732 38.000 -0.310 0.000 1.274 815 I HN 0.263 nan 8.210 nan 0.000 0.469 816 K N 4.835 125.345 120.400 0.184 0.000 2.183 816 K HA 0.437 4.757 4.320 -0.000 0.000 0.274 816 K C 0.029 176.769 176.600 0.234 0.000 1.009 816 K CA -0.338 56.067 56.287 0.198 0.000 0.888 816 K CB 1.808 34.369 32.500 0.101 0.000 1.078 816 K HN 0.684 nan 8.250 nan 0.000 0.459 817 G N 2.647 111.543 108.800 0.160 0.000 2.378 817 G HA2 0.184 4.144 3.960 -0.000 0.000 0.255 817 G HA3 0.184 4.144 3.960 -0.000 0.000 0.255 817 G C 1.188 175.947 174.900 -0.236 0.000 1.270 817 G CA -0.337 44.586 45.100 -0.294 0.000 0.876 817 G HN 0.492 nan 8.290 nan 0.000 0.521 818 V N 1.857 121.588 119.914 -0.304 0.000 2.358 818 V HA 0.002 4.122 4.120 -0.000 0.000 0.246 818 V C 2.385 178.371 176.094 -0.180 0.000 1.047 818 V CA 2.064 64.249 62.300 -0.191 0.000 1.035 818 V CB -0.998 30.717 31.823 -0.180 0.000 0.658 818 V HN 0.636 nan 8.190 nan 0.000 0.452 819 G N -0.036 108.620 108.800 -0.239 0.000 2.776 819 G HA2 0.068 4.028 3.960 -0.000 0.000 0.209 819 G HA3 0.068 4.028 3.960 -0.000 0.000 0.209 819 G C 1.366 176.179 174.900 -0.145 0.000 1.145 819 G CA 1.075 46.067 45.100 -0.181 0.000 0.791 819 G HN 0.926 nan 8.290 nan 0.000 0.530 820 S N -2.888 112.727 115.700 -0.142 0.000 2.648 820 S HA 0.367 4.837 4.470 -0.000 0.000 0.270 820 S C 1.751 176.313 174.600 -0.064 0.000 1.080 820 S CA 1.024 59.167 58.200 -0.094 0.000 1.159 820 S CB 0.207 63.355 63.200 -0.087 0.000 1.091 820 S HN 1.383 nan 8.310 nan 0.000 0.605 821 G N 2.008 110.770 108.800 -0.063 0.000 2.189 821 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 821 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 821 G C 0.087 174.988 174.900 0.001 0.000 0.975 821 G CA 0.486 45.568 45.100 -0.030 0.000 0.644 821 G HN 0.679 nan 8.290 nan 0.000 0.537 822 R N -1.005 119.503 120.500 0.013 0.000 2.643 822 R HA 0.649 4.989 4.340 -0.000 0.000 0.272 822 R C 0.021 176.400 176.300 0.132 0.000 0.995 822 R CA -0.414 55.721 56.100 0.058 0.000 1.032 822 R CB 1.188 31.515 30.300 0.045 0.000 1.126 822 R HN 0.189 nan 8.270 nan 0.000 0.505 823 c N 1.571 120.268 118.600 0.162 0.000 2.364 823 c HA 0.289 4.859 4.570 -0.000 0.000 0.356 823 c C 0.088 174.304 174.090 0.210 0.000 1.201 823 c CA -0.728 55.714 56.329 0.189 0.000 2.227 823 c CB 0.603 43.209 42.510 0.159 0.000 2.387 823 c HN 0.603 nan 8.230 nan 0.000 0.546 824 L N 3.740 125.054 121.223 0.153 0.000 2.534 824 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 824 L C 0.083 177.138 176.870 0.308 0.000 1.178 824 L CA 1.296 56.177 54.840 0.069 0.000 0.907 824 L CB -0.266 41.564 42.059 -0.382 0.000 1.164 824 L HN 0.665 nan 8.230 nan 0.000 0.482 825 D N 3.872 124.430 120.400 0.263 0.000 2.787 825 D HA 0.233 4.872 4.640 -0.000 0.000 0.246 825 D C -1.333 175.084 176.300 0.196 0.000 1.150 825 D CA -0.451 53.688 54.000 0.233 0.000 0.864 825 D CB 2.268 43.196 40.800 0.213 0.000 1.481 825 D HN 0.217 nan 8.370 nan 0.000 0.509 826 V N 4.943 124.935 119.914 0.130 0.000 2.368 826 V HA 0.242 4.362 4.120 -0.000 0.000 0.266 826 V C -2.027 174.116 176.094 0.081 0.000 1.045 826 V CA -1.497 60.876 62.300 0.123 0.000 0.899 826 V CB 0.869 32.744 31.823 0.086 0.000 1.006 826 V HN 0.475 nan 8.190 nan 0.000 0.470 827 P HA -0.081 nan 4.420 nan 0.000 0.255 827 P C 0.503 177.810 177.300 0.012 0.000 1.151 827 P CA 0.883 63.996 63.100 0.022 0.000 0.767 827 P CB -0.238 31.488 31.700 0.043 0.000 0.736 828 N N 2.826 121.505 118.700 -0.035 0.000 2.708 828 N HA -0.265 4.475 4.740 -0.000 0.000 0.251 828 N C 0.464 175.977 175.510 0.007 0.000 1.123 828 N CA 0.353 53.388 53.050 -0.025 0.000 0.739 828 N CB -1.649 36.828 38.487 -0.017 0.000 1.113 828 N HN 0.634 nan 8.380 nan 0.000 0.561 829 A N -1.331 121.517 122.820 0.047 0.000 2.826 829 A HA -0.275 4.045 4.320 -0.000 0.000 0.274 829 A C 0.836 178.451 177.584 0.051 0.000 1.443 829 A CA 1.372 53.482 52.037 0.121 0.000 0.833 829 A CB -1.815 17.230 19.000 0.076 0.000 1.023 829 A HN 0.885 nan 8.150 nan 0.000 0.600 830 S N -0.570 115.157 115.700 0.046 0.000 2.579 830 S HA 0.472 4.942 4.470 -0.000 0.000 0.275 830 S C 1.409 175.959 174.600 -0.084 0.000 1.345 830 S CA 0.835 59.018 58.200 -0.029 0.000 1.031 830 S CB 0.642 63.851 63.200 0.015 0.000 0.892 830 S HN 1.540 nan 8.310 nan 0.000 0.529 831 T N 0.261 114.697 114.554 -0.197 0.000 3.084 831 T HA 0.235 4.585 4.350 -0.000 0.000 0.270 831 T C 0.248 174.905 174.700 -0.072 0.000 1.008 831 T CA -0.376 61.578 62.100 -0.245 0.000 0.900 831 T CB -0.331 68.278 68.868 -0.432 0.000 1.084 831 T HN 0.504 nan 8.240 nan 0.000 0.538 832 T N 3.896 118.436 114.554 -0.024 0.000 2.817 832 T HA 0.144 4.494 4.350 -0.000 0.000 0.295 832 T C -0.120 174.615 174.700 0.058 0.000 0.958 832 T CA -0.241 61.864 62.100 0.007 0.000 1.157 832 T CB 0.303 69.180 68.868 0.016 0.000 0.898 832 T HN 0.312 nan 8.240 nan 0.000 0.536 833 D N 2.425 122.856 120.400 0.051 0.000 2.493 833 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 833 D C 1.403 177.811 176.300 0.180 0.000 1.142 833 D CA 1.236 55.310 54.000 0.124 0.000 0.872 833 D CB 0.775 41.611 40.800 0.059 0.000 1.173 833 D HN 0.907 nan 8.370 nan 0.000 0.467 834 G N 2.022 110.962 108.800 0.234 0.000 2.179 834 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 834 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 834 G C 0.486 175.471 174.900 0.142 0.000 0.990 834 G CA 0.020 45.230 45.100 0.182 0.000 0.646 834 G HN 0.542 nan 8.290 nan 0.000 0.517 835 T N 1.846 116.486 114.554 0.144 0.000 2.738 835 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 835 T C 0.477 175.260 174.700 0.139 0.000 0.913 835 T CA 0.368 62.542 62.100 0.124 0.000 1.103 835 T CB 1.343 70.283 68.868 0.120 0.000 0.880 835 T HN 0.565 nan 8.240 nan 0.000 0.526 836 Q N 3.414 123.284 119.800 0.117 0.000 2.337 836 Q HA 0.301 4.641 4.340 -0.000 0.000 0.270 836 Q C 0.239 176.309 176.000 0.117 0.000 1.002 836 Q CA -0.671 55.199 55.803 0.113 0.000 0.888 836 Q CB 0.594 29.388 28.738 0.093 0.000 1.222 836 Q HN 0.634 nan 8.270 nan 0.000 0.400 837 V N 1.493 121.476 119.914 0.114 0.000 3.083 837 V HA 0.434 4.554 4.120 -0.000 0.000 0.306 837 V C -0.350 175.804 176.094 0.100 0.000 1.077 837 V CA -0.321 62.053 62.300 0.123 0.000 1.073 837 V CB 1.213 33.099 31.823 0.104 0.000 1.081 837 V HN 1.023 nan 8.190 nan 0.000 0.474 838 Q N 1.969 121.842 119.800 0.122 0.000 2.857 838 Q HA 0.693 5.033 4.340 -0.000 0.000 0.319 838 Q C -1.624 174.478 176.000 0.170 0.000 0.963 838 Q CA -1.153 54.731 55.803 0.135 0.000 0.770 838 Q CB 2.228 31.052 28.738 0.144 0.000 1.492 838 Q HN 0.704 nan 8.270 nan 0.000 0.493 839 L N 0.986 122.323 121.223 0.189 0.000 2.322 839 L HA 0.688 5.028 4.340 -0.000 0.000 0.279 839 L C -1.246 175.793 176.870 0.282 0.000 1.036 839 L CA -0.856 54.109 54.840 0.209 0.000 0.807 839 L CB 1.292 43.443 42.059 0.154 0.000 1.226 839 L HN 0.680 nan 8.230 nan 0.000 0.433 840 Y N 0.525 120.895 120.300 0.117 0.000 2.604 840 Y HA 0.166 4.716 4.550 -0.000 0.000 0.331 840 Y C -0.897 175.087 175.900 0.139 0.000 1.158 840 Y CA -1.175 56.998 58.100 0.121 0.000 1.056 840 Y CB 1.500 40.048 38.460 0.147 0.000 1.330 840 Y HN 0.561 nan 8.280 nan 0.000 0.457 841 D N 2.774 122.937 120.400 -0.395 0.000 2.583 841 D HA -0.010 4.630 4.640 -0.000 0.000 0.232 841 D C -0.158 176.315 176.300 0.289 0.000 1.128 841 D CA 0.862 54.797 54.000 -0.108 0.000 0.859 841 D CB 0.406 41.044 40.800 -0.269 0.000 1.169 841 D HN 0.480 nan 8.370 nan 0.000 0.481 842 c N 4.566 123.292 118.600 0.210 0.000 2.644 842 c HA 0.316 4.886 4.570 -0.000 0.000 0.417 842 c C 0.618 174.900 174.090 0.319 0.000 1.304 842 c CA -0.241 56.223 56.329 0.225 0.000 2.035 842 c CB -0.657 41.925 42.510 0.122 0.000 2.673 842 c HN 0.746 nan 8.230 nan 0.000 0.602 843 H N -1.325 117.803 119.070 0.096 0.000 2.950 843 H HA 0.238 4.794 4.556 -0.000 0.000 0.307 843 H C -1.211 174.151 175.328 0.058 0.000 1.403 843 H CA -0.716 55.377 56.048 0.075 0.000 1.145 843 H CB 0.304 30.120 29.762 0.090 0.000 1.844 843 H HN 0.394 nan 8.280 nan 0.000 0.515 844 S N 0.456 116.212 115.700 0.093 0.000 2.670 844 S HA 0.517 4.987 4.470 -0.000 0.000 0.328 844 S C 0.024 174.612 174.600 -0.020 0.000 1.179 844 S CA 0.261 58.470 58.200 0.014 0.000 1.194 844 S CB -1.031 62.199 63.200 0.049 0.000 1.359 844 S HN 0.752 nan 8.310 nan 0.000 0.555 845 A N 2.767 125.497 122.820 -0.150 0.000 2.488 845 A HA 0.578 4.898 4.320 -0.000 0.000 0.298 845 A C 0.943 178.438 177.584 -0.149 0.000 1.044 845 A CA -0.789 51.165 52.037 -0.139 0.000 0.693 845 A CB 0.745 19.583 19.000 -0.269 0.000 1.272 845 A HN 0.412 nan 8.150 nan 0.000 0.402 846 T N 1.453 115.954 114.554 -0.087 0.000 2.803 846 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 846 T C 1.499 176.029 174.700 -0.283 0.000 1.052 846 T CA 1.867 63.894 62.100 -0.121 0.000 1.136 846 T CB -0.339 68.536 68.868 0.011 0.000 0.864 846 T HN 0.843 nan 8.240 nan 0.000 0.467 847 N N 1.060 119.640 118.700 -0.199 0.000 2.485 847 N HA -0.027 4.713 4.740 -0.000 0.000 0.199 847 N C 0.947 176.241 175.510 -0.360 0.000 1.236 847 N CA 0.324 53.180 53.050 -0.322 0.000 0.852 847 N CB 0.009 38.476 38.487 -0.033 0.000 1.018 847 N HN 0.456 nan 8.380 nan 0.000 0.457 848 Q N -0.853 118.731 119.800 -0.359 0.000 2.081 848 Q HA 0.159 4.499 4.340 -0.000 0.000 0.220 848 Q C -0.623 175.258 176.000 -0.200 0.000 0.775 848 Q CA -0.197 55.490 55.803 -0.193 0.000 0.983 848 Q CB 0.774 29.432 28.738 -0.134 0.000 1.188 848 Q HN 0.253 nan 8.270 nan 0.000 0.458 849 Q N 0.242 119.812 119.800 -0.384 0.000 2.421 849 Q HA 0.158 4.498 4.340 -0.000 0.000 0.242 849 Q C -1.260 174.510 176.000 -0.384 0.000 1.024 849 Q CA 0.271 55.923 55.803 -0.252 0.000 0.891 849 Q CB 0.161 28.784 28.738 -0.192 0.000 1.222 849 Q HN 0.106 nan 8.270 nan 0.000 0.483 850 W N 1.305 122.531 121.300 -0.124 0.000 2.469 850 W HA 0.395 5.055 4.660 -0.000 0.000 0.320 850 W C 0.198 176.683 176.519 -0.057 0.000 1.086 850 W CA -0.473 56.802 57.345 -0.117 0.000 1.211 850 W CB 1.446 30.815 29.460 -0.151 0.000 1.298 850 W HN 0.152 nan 8.180 nan 0.000 0.525 851 T N 2.914 117.578 114.554 0.184 0.000 2.792 851 T HA 0.175 4.525 4.350 -0.000 0.000 0.280 851 T C -1.545 173.280 174.700 0.208 0.000 0.990 851 T CA -0.497 61.692 62.100 0.148 0.000 0.960 851 T CB 0.437 69.347 68.868 0.071 0.000 0.939 851 T HN 0.167 nan 8.240 nan 0.000 0.439 852 Y N 4.300 124.637 120.300 0.063 0.000 2.383 852 Y HA 0.403 4.953 4.550 -0.000 0.000 0.344 852 Y C 0.949 176.882 175.900 0.055 0.000 0.986 852 Y CA -0.911 57.224 58.100 0.057 0.000 1.175 852 Y CB 0.246 38.727 38.460 0.034 0.000 1.152 852 Y HN 0.714 nan 8.280 nan 0.000 0.511 853 T N 0.960 115.357 114.554 -0.262 0.000 2.874 853 T HA 0.136 4.486 4.350 -0.000 0.000 0.281 853 T C 0.816 175.296 174.700 -0.366 0.000 0.994 853 T CA -0.639 61.329 62.100 -0.219 0.000 1.015 853 T CB 0.932 69.723 68.868 -0.128 0.000 1.028 853 T HN 0.587 nan 8.240 nan 0.000 0.523 854 D N 0.934 121.231 120.400 -0.173 0.000 2.263 854 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 854 D C 1.993 178.207 176.300 -0.144 0.000 0.971 854 D CA 1.291 55.216 54.000 -0.125 0.000 0.867 854 D CB -0.428 40.351 40.800 -0.036 0.000 0.929 854 D HN 0.769 nan 8.370 nan 0.000 0.492 855 A N -0.424 122.299 122.820 -0.162 0.000 2.238 855 A HA 0.400 4.720 4.320 -0.000 0.000 0.208 855 A C 1.755 179.228 177.584 -0.186 0.000 1.177 855 A CA 1.026 52.987 52.037 -0.126 0.000 0.804 855 A CB -0.018 18.930 19.000 -0.088 0.000 0.823 855 A HN 0.236 nan 8.150 nan 0.000 0.482 856 G N -0.631 107.936 108.800 -0.389 0.000 2.141 856 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.231 856 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.231 856 G C -0.183 174.635 174.900 -0.137 0.000 0.984 856 G CA 0.197 45.057 45.100 -0.399 0.000 0.660 856 G HN 0.615 nan 8.290 nan 0.000 0.525 857 E N -0.585 119.531 120.200 -0.141 0.000 2.318 857 E HA 0.637 4.987 4.350 -0.000 0.000 0.265 857 E C -0.003 176.718 176.600 0.201 0.000 1.069 857 E CA -0.580 55.890 56.400 0.115 0.000 0.893 857 E CB 1.356 31.092 29.700 0.060 0.000 1.076 857 E HN 0.205 nan 8.360 nan 0.000 0.414 858 L N 2.855 124.264 121.223 0.311 0.000 2.356 858 L HA 0.344 4.684 4.340 -0.000 0.000 0.264 858 L C -0.123 176.974 176.870 0.378 0.000 1.029 858 L CA -0.304 54.702 54.840 0.277 0.000 0.897 858 L CB 0.565 42.598 42.059 -0.044 0.000 1.256 858 L HN 0.272 nan 8.230 nan 0.000 0.444 859 R N 1.664 122.324 120.500 0.266 0.000 2.457 859 R HA 0.681 5.021 4.340 -0.000 0.000 0.284 859 R C -0.816 175.449 176.300 -0.059 0.000 1.024 859 R CA -0.603 55.583 56.100 0.143 0.000 1.025 859 R CB 2.677 33.020 30.300 0.072 0.000 1.063 859 R HN 0.250 nan 8.270 nan 0.000 0.493 860 V N 3.208 122.946 119.914 -0.294 0.000 2.925 860 V HA 0.232 4.352 4.120 -0.000 0.000 0.311 860 V C -0.901 174.931 176.094 -0.437 0.000 1.104 860 V CA -0.402 61.447 62.300 -0.751 0.000 0.954 860 V CB 1.273 32.166 31.823 -1.549 0.000 1.022 860 V HN 0.929 nan 8.190 nan 0.000 0.427 861 Y N 3.833 123.990 120.300 -0.237 0.000 4.893 861 Y HA -0.241 4.309 4.550 -0.000 0.000 0.257 861 Y C 1.719 177.563 175.900 -0.094 0.000 0.958 861 Y CA 1.747 59.758 58.100 -0.148 0.000 1.897 861 Y CB -1.961 36.421 38.460 -0.131 0.000 1.352 861 Y HN 1.757 nan 8.280 nan 0.000 0.499 862 G N -0.827 107.989 108.800 0.026 0.000 2.345 862 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 862 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 862 G C 0.448 175.373 174.900 0.041 0.000 1.058 862 G CA 0.526 45.642 45.100 0.026 0.000 0.632 862 G HN 0.488 nan 8.290 nan 0.000 0.508 863 D N 0.277 120.716 120.400 0.065 0.000 2.582 863 D HA 0.294 4.934 4.640 -0.000 0.000 0.246 863 D C 0.210 176.563 176.300 0.087 0.000 1.334 863 D CA -0.026 54.013 54.000 0.064 0.000 0.805 863 D CB 0.180 41.006 40.800 0.044 0.000 1.087 863 D HN 0.179 nan 8.370 nan 0.000 0.499 864 K N 0.077 120.545 120.400 0.113 0.000 2.164 864 K HA 0.528 4.848 4.320 -0.000 0.000 0.258 864 K C -0.820 175.878 176.600 0.163 0.000 0.951 864 K CA -0.545 55.832 56.287 0.149 0.000 0.844 864 K CB 1.762 34.404 32.500 0.236 0.000 1.099 864 K HN -0.005 nan 8.250 nan 0.000 0.435 865 c N 2.208 120.952 118.600 0.240 0.000 2.507 865 c HA 0.354 4.924 4.570 -0.000 0.000 0.319 865 c C -0.218 174.102 174.090 0.384 0.000 1.208 865 c CA -0.999 55.513 56.329 0.304 0.000 1.619 865 c CB 1.078 43.756 42.510 0.280 0.000 2.230 865 c HN 0.742 nan 8.230 nan 0.000 0.492 866 L N 4.289 125.761 121.223 0.415 0.000 2.534 866 L HA 0.231 4.571 4.340 -0.000 0.000 0.271 866 L C 0.106 177.275 176.870 0.498 0.000 1.178 866 L CA 1.397 56.414 54.840 0.295 0.000 0.907 866 L CB -0.163 41.770 42.059 -0.211 0.000 1.164 866 L HN 0.667 nan 8.230 nan 0.000 0.482 867 D N 4.266 124.917 120.400 0.418 0.000 2.619 867 D HA 0.592 5.232 4.640 -0.000 0.000 0.241 867 D C -1.464 175.022 176.300 0.311 0.000 1.087 867 D CA -0.499 53.725 54.000 0.373 0.000 0.851 867 D CB 2.212 43.212 40.800 0.335 0.000 1.474 867 D HN 0.624 nan 8.370 nan 0.000 0.478 868 A N 2.008 124.960 122.820 0.220 0.000 2.287 868 A HA 0.637 4.957 4.320 -0.000 0.000 0.317 868 A C -0.036 177.588 177.584 0.067 0.000 1.220 868 A CA -0.513 51.618 52.037 0.156 0.000 0.835 868 A CB 1.222 20.285 19.000 0.104 0.000 1.180 868 A HN 0.519 nan 8.150 nan 0.000 0.500 869 A N 2.500 125.357 122.820 0.062 0.000 3.202 869 A HA 0.627 4.947 4.320 -0.000 0.000 0.258 869 A C 0.806 178.403 177.584 0.022 0.000 1.572 869 A CA 0.469 52.519 52.037 0.023 0.000 1.241 869 A CB -1.056 17.958 19.000 0.024 0.000 1.127 869 A HN 2.472 nan 8.150 nan 0.000 0.648 870 G N -0.968 107.842 108.800 0.015 0.000 2.369 870 G HA2 0.338 4.298 3.960 -0.000 0.000 0.293 870 G HA3 0.338 4.298 3.960 -0.000 0.000 0.293 870 G C 0.117 175.017 174.900 -0.001 0.000 1.301 870 G CA 0.372 45.478 45.100 0.010 0.000 0.913 870 G HN 0.987 nan 8.290 nan 0.000 0.540 871 T N -2.576 111.973 114.554 -0.007 0.000 3.058 871 T HA 0.574 4.924 4.350 -0.000 0.000 0.278 871 T C 1.096 175.782 174.700 -0.023 0.000 0.974 871 T CA 1.280 63.367 62.100 -0.023 0.000 0.893 871 T CB 0.700 69.548 68.868 -0.033 0.000 1.138 871 T HN 1.708 nan 8.240 nan 0.000 0.529 872 G N 1.176 109.969 108.800 -0.013 0.000 2.511 872 G HA2 0.515 4.475 3.960 -0.000 0.000 0.316 872 G HA3 0.515 4.475 3.960 -0.000 0.000 0.316 872 G C -0.490 174.398 174.900 -0.021 0.000 1.210 872 G CA -0.866 44.217 45.100 -0.028 0.000 0.969 872 G HN 0.227 nan 8.290 nan 0.000 0.492 873 N N -0.326 118.329 118.700 -0.074 0.000 2.407 873 N HA 0.226 4.966 4.740 -0.000 0.000 0.250 873 N C 1.365 176.944 175.510 0.115 0.000 1.236 873 N CA 1.502 54.516 53.050 -0.061 0.000 0.879 873 N CB 1.134 39.440 38.487 -0.300 0.000 1.088 873 N HN 1.122 nan 8.380 nan 0.000 0.450 874 G N 0.794 109.737 108.800 0.238 0.000 2.253 874 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 874 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 874 G C 0.302 175.278 174.900 0.127 0.000 0.998 874 G CA 0.491 45.702 45.100 0.186 0.000 0.621 874 G HN 0.644 nan 8.290 nan 0.000 0.524 875 T N 2.044 116.663 114.554 0.108 0.000 2.891 875 T HA 0.248 4.598 4.350 -0.000 0.000 0.296 875 T C 0.721 175.485 174.700 0.106 0.000 1.025 875 T CA 1.055 63.209 62.100 0.090 0.000 1.149 875 T CB 0.789 69.703 68.868 0.078 0.000 1.007 875 T HN 0.603 nan 8.240 nan 0.000 0.528 876 K N 3.285 123.741 120.400 0.093 0.000 2.412 876 K HA 0.199 4.519 4.320 -0.000 0.000 0.281 876 K C -0.805 175.864 176.600 0.115 0.000 1.027 876 K CA -0.428 55.917 56.287 0.097 0.000 0.989 876 K CB 0.410 32.961 32.500 0.084 0.000 0.935 876 K HN 0.306 nan 8.250 nan 0.000 0.475 877 V N 6.217 126.198 119.914 0.113 0.000 2.350 877 V HA 0.163 4.283 4.120 -0.000 0.000 0.276 877 V C 0.186 176.346 176.094 0.110 0.000 1.028 877 V CA -0.376 61.997 62.300 0.121 0.000 0.860 877 V CB 0.879 32.733 31.823 0.052 0.000 0.990 877 V HN 0.965 nan 8.190 nan 0.000 0.453 878 Q N 5.942 125.836 119.800 0.156 0.000 3.146 878 Q HA 0.740 5.080 4.340 -0.000 0.000 0.318 878 Q C -0.867 175.280 176.000 0.244 0.000 0.992 878 Q CA -0.990 54.920 55.803 0.180 0.000 0.809 878 Q CB 2.628 31.471 28.738 0.175 0.000 1.490 878 Q HN 0.649 nan 8.270 nan 0.000 0.493 879 I N -2.003 118.729 120.570 0.270 0.000 2.493 879 I HA 0.761 4.930 4.170 -0.000 0.000 0.298 879 I C -1.498 174.834 176.117 0.359 0.000 0.998 879 I CA -1.031 60.456 61.300 0.312 0.000 1.137 879 I CB 1.814 39.981 38.000 0.277 0.000 1.310 879 I HN 0.722 nan 8.210 nan 0.000 0.445 880 Y N 2.500 122.924 120.300 0.206 0.000 2.609 880 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 880 Y C -0.455 175.567 175.900 0.203 0.000 1.129 880 Y CA -0.750 57.464 58.100 0.191 0.000 1.040 880 Y CB 2.185 40.775 38.460 0.217 0.000 1.310 880 Y HN 0.764 nan 8.280 nan 0.000 0.460 881 S N 2.285 117.711 115.700 -0.457 0.000 2.563 881 S HA 0.033 4.503 4.470 -0.000 0.000 0.294 881 S C -0.406 174.298 174.600 0.173 0.000 1.279 881 S CA -0.090 57.995 58.200 -0.192 0.000 1.069 881 S CB -0.457 62.526 63.200 -0.362 0.000 0.828 881 S HN 0.622 nan 8.310 nan 0.000 0.497 882 c N 5.593 124.311 118.600 0.196 0.000 2.648 882 c HA 0.217 4.787 4.570 -0.000 0.000 0.419 882 c C 1.460 175.753 174.090 0.337 0.000 1.352 882 c CA -0.442 56.038 56.329 0.251 0.000 1.816 882 c CB -0.981 41.618 42.510 0.148 0.000 2.598 882 c HN 1.091 nan 8.230 nan 0.000 0.598 883 W N 1.073 122.444 121.300 0.119 0.000 1.583 883 W HA 0.354 5.014 4.660 0.000 0.000 0.214 883 W C 0.690 177.252 176.519 0.071 0.000 0.808 883 W CA 0.227 57.628 57.345 0.093 0.000 0.964 883 W CB -0.822 28.711 29.460 0.121 0.000 0.909 883 W HN 0.933 nan 8.180 nan 0.000 0.503 884 G N 1.483 110.022 108.800 -0.435 0.000 2.157 884 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.239 884 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.239 884 G C 0.661 175.072 174.900 -0.814 0.000 0.982 884 G CA -0.047 44.768 45.100 -0.474 0.000 0.650 884 G HN 0.681 nan 8.290 nan 0.000 0.527 885 G N -0.244 107.564 108.800 -1.654 0.000 2.554 885 G HA2 0.389 4.349 3.960 -0.000 0.000 0.238 885 G HA3 0.389 4.349 3.960 -0.000 0.000 0.238 885 G C 0.690 175.225 174.900 -0.609 0.000 1.259 885 G CA 0.454 44.743 45.100 -1.352 0.000 0.843 885 G HN 0.105 nan 8.290 nan 0.000 0.582 886 D N 0.362 120.531 120.400 -0.385 0.000 2.309 886 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 886 D C 2.034 178.120 176.300 -0.356 0.000 0.968 886 D CA 0.917 54.734 54.000 -0.305 0.000 0.882 886 D CB 0.127 40.804 40.800 -0.205 0.000 0.918 886 D HN 0.608 nan 8.370 nan 0.000 0.503 887 N N 0.360 118.880 118.700 -0.300 0.000 2.515 887 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 887 N C 0.807 176.128 175.510 -0.315 0.000 1.182 887 N CA 0.300 53.180 53.050 -0.284 0.000 0.879 887 N CB 0.059 38.482 38.487 -0.107 0.000 0.984 887 N HN 0.283 nan 8.380 nan 0.000 0.453 888 Q N -0.594 118.996 119.800 -0.350 0.000 2.164 888 Q HA 0.212 4.552 4.340 -0.000 0.000 0.226 888 Q C -0.503 175.341 176.000 -0.260 0.000 0.813 888 Q CA -0.221 55.484 55.803 -0.164 0.000 0.978 888 Q CB 0.965 29.638 28.738 -0.108 0.000 1.149 888 Q HN 0.131 nan 8.270 nan 0.000 0.489 889 K N 0.475 120.550 120.400 -0.542 0.000 2.159 889 K HA 0.378 4.698 4.320 -0.000 0.000 0.266 889 K C -1.010 175.187 176.600 -0.671 0.000 0.975 889 K CA -0.041 56.011 56.287 -0.392 0.000 0.865 889 K CB 1.212 33.546 32.500 -0.277 0.000 1.087 889 K HN -0.050 nan 8.250 nan 0.000 0.446 890 W N 1.113 122.452 121.300 0.065 0.000 2.950 890 W HA 0.463 5.123 4.660 -0.000 0.000 0.340 890 W C 0.081 176.689 176.519 0.147 0.000 1.139 890 W CA -0.817 56.575 57.345 0.078 0.000 1.188 890 W CB 1.210 30.698 29.460 0.047 0.000 1.426 890 W HN 0.190 nan 8.180 nan 0.000 0.531 891 R N 2.109 122.765 120.500 0.259 0.000 2.387 891 R HA 0.526 4.866 4.340 -0.000 0.000 0.314 891 R C -0.823 175.509 176.300 0.053 0.000 0.958 891 R CA -0.966 55.224 56.100 0.150 0.000 0.846 891 R CB 1.256 31.606 30.300 0.083 0.000 1.147 891 R HN 0.412 nan 8.270 nan 0.000 0.447 892 L N 3.980 125.159 121.223 -0.073 0.000 2.315 892 L HA 0.252 4.592 4.340 -0.000 0.000 0.278 892 L C -0.017 176.817 176.870 -0.060 0.000 1.088 892 L CA -0.695 54.053 54.840 -0.155 0.000 0.899 892 L CB -0.002 41.834 42.059 -0.371 0.000 1.277 892 L HN 0.408 nan 8.230 nan 0.000 0.431 893 N N 0.999 119.694 118.700 -0.007 0.000 2.479 893 N HA -0.031 4.709 4.740 -0.000 0.000 0.257 893 N C 1.314 176.823 175.510 -0.001 0.000 1.232 893 N CA 0.162 53.219 53.050 0.011 0.000 0.920 893 N CB 1.494 40.001 38.487 0.034 0.000 1.105 893 N HN 0.566 nan 8.380 nan 0.000 0.444 894 S N 0.306 116.004 115.700 -0.004 0.000 2.419 894 S HA -0.197 4.273 4.470 -0.000 0.000 0.233 894 S C 0.904 175.502 174.600 -0.002 0.000 1.016 894 S CA 1.141 59.336 58.200 -0.009 0.000 0.974 894 S CB -0.189 63.004 63.200 -0.012 0.000 0.786 894 S HN 0.704 nan 8.310 nan 0.000 0.492 895 D N 0.689 121.092 120.400 0.005 0.000 2.338 895 D HA 0.239 4.879 4.640 -0.000 0.000 0.239 895 D C 1.388 177.693 176.300 0.009 0.000 1.095 895 D CA 0.577 54.579 54.000 0.004 0.000 0.888 895 D CB -0.782 40.022 40.800 0.006 0.000 0.899 895 D HN 0.584 nan 8.370 nan 0.000 0.525 896 G N -0.052 108.761 108.800 0.022 0.000 2.199 896 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 896 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 896 G C 0.390 175.370 174.900 0.133 0.000 0.982 896 G CA 0.428 45.559 45.100 0.051 0.000 0.632 896 G HN 0.881 nan 8.290 nan 0.000 0.529 897 S N -0.142 115.627 115.700 0.114 0.000 2.586 897 S HA 0.750 5.220 4.470 -0.000 0.000 0.274 897 S C 0.019 174.715 174.600 0.160 0.000 1.281 897 S CA -0.651 57.660 58.200 0.186 0.000 1.035 897 S CB 1.814 65.084 63.200 0.117 0.000 0.962 897 S HN 0.613 nan 8.310 nan 0.000 0.512 898 I N 2.582 123.260 120.570 0.180 0.000 2.382 898 I HA 0.354 4.524 4.170 -0.000 0.000 0.286 898 I C -0.970 175.250 176.117 0.172 0.000 1.002 898 I CA -0.922 60.408 61.300 0.050 0.000 1.135 898 I CB 1.752 39.605 38.000 -0.245 0.000 1.288 898 I HN 0.421 nan 8.210 nan 0.000 0.448 899 V N 4.736 124.773 119.914 0.205 0.000 2.483 899 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 899 V C 0.778 177.010 176.094 0.229 0.000 1.035 899 V CA -0.725 61.701 62.300 0.210 0.000 0.896 899 V CB 1.647 33.526 31.823 0.095 0.000 0.986 899 V HN 0.855 nan 8.190 nan 0.000 0.447 900 G N 2.447 111.313 108.800 0.110 0.000 2.361 900 G HA2 0.367 4.327 3.960 -0.000 0.000 0.260 900 G HA3 0.367 4.327 3.960 -0.000 0.000 0.260 900 G C 0.903 175.622 174.900 -0.301 0.000 1.261 900 G CA -0.252 44.612 45.100 -0.392 0.000 0.897 900 G HN 0.551 nan 8.290 nan 0.000 0.499 901 V N 2.183 121.864 119.914 -0.387 0.000 2.255 901 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 901 V C 2.889 178.857 176.094 -0.210 0.000 1.051 901 V CA 2.474 64.625 62.300 -0.247 0.000 1.018 901 V CB -0.637 31.038 31.823 -0.246 0.000 0.641 901 V HN 0.876 nan 8.190 nan 0.000 0.445 902 Q N 0.106 119.754 119.800 -0.253 0.000 2.079 902 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 902 Q C 2.311 178.232 176.000 -0.132 0.000 0.974 902 Q CA 2.170 57.869 55.803 -0.174 0.000 0.840 902 Q CB -0.087 28.545 28.738 -0.177 0.000 0.898 902 Q HN 0.776 nan 8.270 nan 0.000 0.430 903 S N -1.862 113.747 115.700 -0.151 0.000 2.458 903 S HA 0.164 4.633 4.470 -0.000 0.000 0.223 903 S C 1.466 176.022 174.600 -0.074 0.000 1.019 903 S CA 0.624 58.767 58.200 -0.096 0.000 0.937 903 S CB 0.310 63.462 63.200 -0.080 0.000 0.788 903 S HN 0.657 nan 8.310 nan 0.000 0.511 904 G N 0.693 109.444 108.800 -0.082 0.000 2.155 904 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 904 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 904 G C -0.232 174.656 174.900 -0.020 0.000 0.983 904 G CA 0.567 45.636 45.100 -0.053 0.000 0.676 904 G HN 0.495 nan 8.290 nan 0.000 0.528 905 L N -0.104 121.117 121.223 -0.003 0.000 2.344 905 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 905 L C 0.895 177.841 176.870 0.127 0.000 1.035 905 L CA -0.785 54.081 54.840 0.043 0.000 0.807 905 L CB 1.574 43.652 42.059 0.031 0.000 1.237 905 L HN 0.208 nan 8.230 nan 0.000 0.442 906 c N 1.984 120.676 118.600 0.154 0.000 2.405 906 c HA 0.433 5.003 4.570 -0.000 0.000 0.365 906 c C 0.410 174.648 174.090 0.245 0.000 1.233 906 c CA -1.108 55.344 56.329 0.206 0.000 2.230 906 c CB 0.363 42.985 42.510 0.186 0.000 2.443 906 c HN 0.517 nan 8.230 nan 0.000 0.556 907 L N 3.658 125.024 121.223 0.238 0.000 2.455 907 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 907 L C 0.260 177.328 176.870 0.330 0.000 1.174 907 L CA 0.949 55.893 54.840 0.174 0.000 0.869 907 L CB 0.078 42.055 42.059 -0.136 0.000 1.130 907 L HN 0.687 nan 8.230 nan 0.000 0.474 908 D N 3.352 123.908 120.400 0.260 0.000 2.788 908 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 908 D C -0.760 175.633 176.300 0.155 0.000 1.236 908 D CA -0.501 53.624 54.000 0.208 0.000 0.898 908 D CB 2.145 43.048 40.800 0.171 0.000 1.401 908 D HN 0.512 nan 8.370 nan 0.000 0.549 909 A N 3.875 126.765 122.820 0.117 0.000 2.438 909 A HA 0.342 4.662 4.320 -0.000 0.000 0.280 909 A C 0.603 178.191 177.584 0.007 0.000 1.160 909 A CA -0.383 51.698 52.037 0.074 0.000 0.821 909 A CB 0.113 19.122 19.000 0.015 0.000 1.101 909 A HN 0.463 nan 8.150 nan 0.000 0.515 910 V N 3.063 122.988 119.914 0.018 0.000 2.681 910 V HA 0.180 4.300 4.120 -0.000 0.000 0.306 910 V C 1.788 177.856 176.094 -0.043 0.000 1.077 910 V CA 1.793 64.082 62.300 -0.018 0.000 1.224 910 V CB -0.101 31.729 31.823 0.012 0.000 0.879 910 V HN 1.877 nan 8.190 nan 0.000 0.494 911 G N 3.792 112.543 108.800 -0.083 0.000 2.244 911 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.274 911 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.274 911 G C 1.210 176.066 174.900 -0.075 0.000 1.002 911 G CA 0.856 45.909 45.100 -0.079 0.000 0.740 911 G HN 2.468 nan 8.290 nan 0.000 0.516 912 G N -1.591 107.159 108.800 -0.084 0.000 2.168 912 G HA2 0.133 4.093 3.960 -0.000 0.000 0.263 912 G HA3 0.133 4.093 3.960 -0.000 0.000 0.263 912 G C 1.539 176.401 174.900 -0.062 0.000 0.977 912 G CA 0.968 46.020 45.100 -0.081 0.000 0.659 912 G HN 2.188 nan 8.290 nan 0.000 0.533 913 G N -0.838 107.937 108.800 -0.042 0.000 2.568 913 G HA2 0.445 4.405 3.960 -0.000 0.000 0.231 913 G HA3 0.445 4.405 3.960 -0.000 0.000 0.231 913 G C 1.099 175.980 174.900 -0.031 0.000 1.261 913 G CA 1.260 46.344 45.100 -0.026 0.000 0.855 913 G HN 1.511 nan 8.290 nan 0.000 0.576 914 T N -2.312 112.225 114.554 -0.027 0.000 2.993 914 T HA 0.569 4.919 4.350 -0.000 0.000 0.260 914 T C 0.983 175.668 174.700 -0.024 0.000 0.939 914 T CA 0.762 62.841 62.100 -0.035 0.000 0.886 914 T CB 0.146 68.984 68.868 -0.050 0.000 1.209 914 T HN 1.051 nan 8.240 nan 0.000 0.518 915 A N 2.208 125.019 122.820 -0.016 0.000 2.287 915 A HA 0.594 4.913 4.320 -0.000 0.000 0.273 915 A C 0.312 177.898 177.584 0.004 0.000 1.091 915 A CA -0.701 51.325 52.037 -0.019 0.000 0.817 915 A CB 0.056 19.047 19.000 -0.014 0.000 1.069 915 A HN 0.412 nan 8.150 nan 0.000 0.492 916 N N -0.266 118.419 118.700 -0.025 0.000 2.283 916 N HA 0.175 4.915 4.740 -0.000 0.000 0.236 916 N C 1.246 176.841 175.510 0.142 0.000 1.252 916 N CA 1.844 54.921 53.050 0.044 0.000 0.856 916 N CB 0.359 38.801 38.487 -0.075 0.000 1.099 916 N HN 1.376 nan 8.380 nan 0.000 0.444 917 G N 0.123 109.060 108.800 0.228 0.000 2.205 917 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.261 917 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.261 917 G C 0.161 175.129 174.900 0.114 0.000 0.980 917 G CA 0.565 45.763 45.100 0.162 0.000 0.632 917 G HN 0.637 nan 8.290 nan 0.000 0.533 918 T N 2.370 116.987 114.554 0.104 0.000 2.853 918 T HA 0.461 4.811 4.350 -0.000 0.000 0.298 918 T C 1.023 175.779 174.700 0.094 0.000 0.978 918 T CA 0.128 62.275 62.100 0.079 0.000 1.152 918 T CB 0.823 69.728 68.868 0.062 0.000 0.914 918 T HN 0.369 nan 8.240 nan 0.000 0.539 919 L N 3.685 124.956 121.223 0.079 0.000 2.439 919 L HA 0.442 4.782 4.340 -0.000 0.000 0.261 919 L C 0.273 177.194 176.870 0.085 0.000 1.153 919 L CA -0.980 53.909 54.840 0.082 0.000 0.808 919 L CB 0.420 42.521 42.059 0.071 0.000 1.126 919 L HN 0.382 nan 8.230 nan 0.000 0.460 920 I N 1.546 122.164 120.570 0.080 0.000 2.412 920 I HA 0.351 4.521 4.170 -0.000 0.000 0.296 920 I C -0.046 176.117 176.117 0.078 0.000 0.987 920 I CA -0.264 61.083 61.300 0.077 0.000 1.180 920 I CB 1.440 39.448 38.000 0.013 0.000 1.340 920 I HN 0.735 nan 8.210 nan 0.000 0.455 921 Q N 5.753 125.615 119.800 0.103 0.000 2.683 921 Q HA 0.724 5.064 4.340 -0.000 0.000 0.302 921 Q C -1.815 174.287 176.000 0.171 0.000 1.042 921 Q CA -0.979 54.901 55.803 0.128 0.000 0.773 921 Q CB 2.495 31.311 28.738 0.130 0.000 1.508 921 Q HN 0.464 nan 8.270 nan 0.000 0.459 922 L N 1.055 122.393 121.223 0.192 0.000 2.343 922 L HA 0.643 4.983 4.340 -0.000 0.000 0.275 922 L C -1.193 175.837 176.870 0.267 0.000 1.056 922 L CA -0.824 54.142 54.840 0.211 0.000 0.804 922 L CB 1.050 43.206 42.059 0.162 0.000 1.203 922 L HN 0.682 nan 8.230 nan 0.000 0.440 923 Y N 0.311 120.662 120.300 0.084 0.000 2.604 923 Y HA 0.106 4.656 4.550 -0.000 0.000 0.331 923 Y C 0.001 175.933 175.900 0.053 0.000 1.158 923 Y CA -0.666 57.470 58.100 0.060 0.000 1.056 923 Y CB 1.957 40.450 38.460 0.055 0.000 1.330 923 Y HN 0.517 nan 8.280 nan 0.000 0.457 924 S N 2.957 118.431 115.700 -0.376 0.000 2.673 924 S HA 0.023 4.493 4.470 -0.000 0.000 0.308 924 S C -0.197 174.457 174.600 0.090 0.000 1.246 924 S CA -0.184 57.928 58.200 -0.147 0.000 1.077 924 S CB -0.695 62.360 63.200 -0.241 0.000 0.814 924 S HN 0.653 nan 8.310 nan 0.000 0.503 925 c N 5.257 123.900 118.600 0.072 0.000 2.523 925 c HA 0.191 4.761 4.570 -0.000 0.000 0.406 925 c C 1.898 176.040 174.090 0.087 0.000 1.449 925 c CA 0.255 56.641 56.329 0.095 0.000 1.588 925 c CB -0.774 41.775 42.510 0.065 0.000 2.514 925 c HN 1.012 nan 8.230 nan 0.000 0.606 926 S N 1.429 117.185 115.700 0.092 0.000 2.632 926 S HA 0.076 4.546 4.470 -0.000 0.000 0.237 926 S C 0.845 175.461 174.600 0.027 0.000 1.037 926 S CA 0.406 58.645 58.200 0.065 0.000 1.009 926 S CB -0.314 62.933 63.200 0.078 0.000 0.974 926 S HN 0.912 nan 8.310 nan 0.000 0.544 927 N N 1.126 119.838 118.700 0.021 0.000 2.850 927 N HA -0.122 4.618 4.740 -0.000 0.000 0.249 927 N C 0.294 175.785 175.510 -0.031 0.000 1.060 927 N CA 0.805 53.853 53.050 -0.004 0.000 0.825 927 N CB -1.557 36.929 38.487 -0.002 0.000 1.132 927 N HN 0.718 nan 8.380 nan 0.000 0.564 928 G N -0.360 108.418 108.800 -0.037 0.000 2.572 928 G HA2 0.349 4.309 3.960 -0.000 0.000 0.261 928 G HA3 0.349 4.309 3.960 -0.000 0.000 0.261 928 G C 1.107 175.931 174.900 -0.126 0.000 1.197 928 G CA 0.375 45.433 45.100 -0.070 0.000 0.870 928 G HN 0.414 nan 8.290 nan 0.000 0.548 929 S N 0.139 115.754 115.700 -0.142 0.000 2.447 929 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 929 S C 1.688 176.104 174.600 -0.306 0.000 1.006 929 S CA 1.165 59.245 58.200 -0.200 0.000 0.957 929 S CB -0.225 62.881 63.200 -0.157 0.000 0.773 929 S HN 0.727 nan 8.310 nan 0.000 0.507 930 N N 0.936 119.481 118.700 -0.258 0.000 2.398 930 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 930 N C 1.050 176.353 175.510 -0.346 0.000 1.122 930 N CA 0.223 53.090 53.050 -0.304 0.000 0.866 930 N CB -0.267 38.117 38.487 -0.172 0.000 0.970 930 N HN 0.575 nan 8.380 nan 0.000 0.462 931 Q N -0.423 119.196 119.800 -0.302 0.000 2.189 931 Q HA 0.273 4.613 4.340 -0.000 0.000 0.223 931 Q C -0.293 175.533 176.000 -0.290 0.000 0.828 931 Q CA -0.224 55.493 55.803 -0.143 0.000 0.967 931 Q CB 1.108 29.856 28.738 0.017 0.000 1.139 931 Q HN 0.208 nan 8.270 nan 0.000 0.497 932 R N -0.184 119.971 120.500 -0.574 0.000 2.532 932 R HA 0.406 4.746 4.340 -0.000 0.000 0.295 932 R C -1.551 174.251 176.300 -0.829 0.000 0.968 932 R CA -0.147 55.676 56.100 -0.461 0.000 0.916 932 R CB 1.019 31.169 30.300 -0.251 0.000 1.124 932 R HN -0.056 nan 8.270 nan 0.000 0.463 933 W N 0.359 121.616 121.300 -0.073 0.000 2.915 933 W HA 0.376 5.036 4.660 -0.000 0.000 0.337 933 W C -0.353 176.121 176.519 -0.076 0.000 1.102 933 W CA -0.756 56.537 57.345 -0.086 0.000 1.224 933 W CB 2.135 31.519 29.460 -0.127 0.000 1.416 933 W HN 0.267 nan 8.180 nan 0.000 0.503 934 T N 3.603 118.236 114.554 0.132 0.000 2.809 934 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 934 T C -0.071 174.675 174.700 0.076 0.000 0.992 934 T CA -0.676 61.463 62.100 0.066 0.000 0.957 934 T CB 0.304 69.184 68.868 0.020 0.000 0.942 934 T HN 0.384 nan 8.240 nan 0.000 0.439 935 R N 3.265 123.794 120.500 0.048 0.000 2.560 935 R HA 0.671 5.011 4.340 -0.000 0.000 0.270 935 R C -0.060 176.259 176.300 0.033 0.000 1.074 935 R CA -0.588 55.532 56.100 0.035 0.000 1.140 935 R CB 1.147 31.450 30.300 0.005 0.000 1.073 935 R HN 0.639 nan 8.270 nan 0.000 0.527 936 T N 0.000 114.576 114.554 0.037 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.120 62.100 0.034 0.000 1.349 936 T CB 0.000 68.891 68.868 0.039 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658