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 3hm8_1_C DATA FIRST_RESID 480 DATA SEQUENCE RRLLEETLAP FRLNHDQLAA VQAQMRKAMA KGLRGEASSL RMLPTFVRAT DATA SEQUENCE PDGSERGDFL ALDLGGTNFR VLLVRVTTGV QITSEIYSIP ETVAQGSGQQ DATA SEQUENCE LFDHIVDCIV DFQQKQGLSG QSLPLGFTFS FPCRQLGLDQ GILLNWTKGF DATA SEQUENCE KASDCEGQDV VSLLREAITR RQAVELNVVA IVNDTVGTMM SCGYEDPRCE DATA SEQUENCE IGLIVGTGTN ACYMEELRNV AGVPGDSGRM CINMEWGAFG DDGSLAMLST DATA SEQUENCE RFDASVDQAS INPGKQRFEK MISGMYLGEI VRHILLHLTS LGVLFXXXXI DATA SEQUENCE QRLQTRDIFK TKFLSEIESD SLALRQVRAI LEDLGLPLTS DDALMVLEVC DATA SEQUENCE QAVSQRAAQL CGAGVAAVVE KIRENRGLEE LAVSVGVDGT LYKLHPRFSS DATA SEQUENCE LVAATVRELA PRCVVTFLQS EDGSGKGAAL VTAVACRLAQ 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 480 R HA 0.000 nan 4.340 nan 0.000 0.208 480 R C 0.000 176.304 176.300 0.007 0.000 0.893 480 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 480 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 481 R N 0.859 121.366 120.500 0.012 0.000 2.070 481 R HA 0.273 4.640 4.340 0.045 0.000 0.233 481 R C 2.815 179.135 176.300 0.034 0.000 1.137 481 R CA 2.574 58.687 56.100 0.021 0.000 0.945 481 R CB -1.968 28.344 30.300 0.020 0.000 0.845 481 R HN 0.923 nan 8.270 nan 0.000 0.430 482 L N 0.288 121.532 121.223 0.035 0.000 2.012 482 L HA 0.113 4.480 4.340 0.045 0.000 0.210 482 L C 2.869 179.781 176.870 0.070 0.000 1.073 482 L CA 2.646 57.520 54.840 0.056 0.000 0.748 482 L CB -1.486 40.598 42.059 0.043 0.000 0.891 482 L HN 0.586 nan 8.230 nan 0.000 0.431 483 L N -0.588 120.660 121.223 0.043 0.000 2.013 483 L HA -0.214 4.154 4.340 0.045 0.000 0.212 483 L C 2.751 179.649 176.870 0.047 0.000 1.073 483 L CA 2.481 57.343 54.840 0.035 0.000 0.753 483 L CB -0.687 41.372 42.059 -0.000 0.000 0.890 483 L HN 0.554 nan 8.230 nan 0.000 0.432 484 E N -0.045 120.181 120.200 0.043 0.000 2.072 484 E HA -0.188 4.189 4.350 0.045 0.000 0.190 484 E C 2.118 178.765 176.600 0.079 0.000 0.982 484 E CA 1.336 57.766 56.400 0.050 0.000 0.803 484 E CB -0.317 29.405 29.700 0.036 0.000 0.755 484 E HN 0.651 nan 8.360 nan 0.000 0.453 485 E N 0.330 120.580 120.200 0.082 0.000 2.070 485 E HA -0.167 4.210 4.350 0.045 0.000 0.197 485 E C 2.065 178.753 176.600 0.147 0.000 1.004 485 E CA 1.825 58.284 56.400 0.099 0.000 0.805 485 E CB -0.175 29.581 29.700 0.092 0.000 0.744 485 E HN 0.159 nan 8.360 nan 0.000 0.451 486 T N 1.180 115.842 114.554 0.181 0.000 2.708 486 T HA -0.097 4.281 4.350 0.045 0.000 0.266 486 T C 1.784 176.662 174.700 0.297 0.000 1.037 486 T CA 0.860 63.125 62.100 0.275 0.000 1.146 486 T CB -0.106 68.944 68.868 0.303 0.000 0.865 486 T HN 0.094 nan 8.240 nan 0.000 0.435 487 L N 0.705 122.041 121.223 0.189 0.000 2.552 487 L HA 0.158 4.526 4.340 0.045 0.000 0.227 487 L C 2.848 179.883 176.870 0.275 0.000 1.146 487 L CA 0.127 55.086 54.840 0.199 0.000 0.858 487 L CB -0.641 41.442 42.059 0.041 0.000 0.969 487 L HN 0.220 nan 8.230 nan 0.000 0.451 488 A N 1.547 124.486 122.820 0.200 0.000 1.903 488 A HA -0.179 4.169 4.320 0.045 0.000 0.219 488 A C -0.057 177.610 177.584 0.137 0.000 1.191 488 A CA 1.907 54.029 52.037 0.142 0.000 0.638 488 A CB -1.801 17.259 19.000 0.101 0.000 0.823 488 A HN 0.299 nan 8.150 nan 0.000 0.451 489 P HA -0.067 nan 4.420 nan 0.000 0.225 489 P C 0.682 177.920 177.300 -0.104 0.000 1.148 489 P CA 0.773 63.866 63.100 -0.012 0.000 0.779 489 P CB -0.166 31.483 31.700 -0.085 0.000 0.780 490 F N -0.667 119.311 119.950 0.047 0.000 2.780 490 F HA 0.090 4.644 4.527 0.045 0.000 0.299 490 F C 1.229 177.037 175.800 0.013 0.000 1.146 490 F CA 0.261 58.279 58.000 0.030 0.000 1.428 490 F CB -0.059 38.958 39.000 0.029 0.000 1.115 490 F HN -0.324 nan 8.300 nan 0.000 0.583 491 R N 1.634 122.227 120.500 0.155 0.000 2.346 491 R HA 0.367 4.734 4.340 0.045 0.000 0.309 491 R C -0.931 175.398 176.300 0.048 0.000 1.119 491 R CA -0.285 55.870 56.100 0.092 0.000 1.112 491 R CB 0.610 30.960 30.300 0.084 0.000 1.132 491 R HN 0.157 nan 8.270 nan 0.000 0.538 492 L N 3.987 125.228 121.223 0.030 0.000 2.290 492 L HA 0.160 4.527 4.340 0.045 0.000 0.284 492 L C 0.874 177.755 176.870 0.019 0.000 1.078 492 L CA -0.668 54.178 54.840 0.010 0.000 0.815 492 L CB 0.467 42.521 42.059 -0.008 0.000 1.162 492 L HN 0.569 nan 8.230 nan 0.000 0.435 493 N N 1.623 120.337 118.700 0.024 0.000 2.347 493 N HA -0.094 4.673 4.740 0.045 0.000 0.253 493 N C 0.900 176.445 175.510 0.059 0.000 1.274 493 N CA -0.064 53.015 53.050 0.049 0.000 0.941 493 N CB 0.457 38.974 38.487 0.051 0.000 1.200 493 N HN 0.612 nan 8.380 nan 0.000 0.514 494 H N -0.362 118.708 119.070 0.000 0.000 2.319 494 H HA -0.131 4.453 4.556 0.047 0.000 0.297 494 H C 0.569 175.897 175.328 0.001 0.000 1.097 494 H CA 2.474 58.522 56.048 0.000 0.000 1.285 494 H CB -0.052 29.711 29.762 0.000 0.000 1.368 494 H HN 0.627 nan 8.280 nan 0.000 0.495 495 D N 0.024 120.452 120.400 0.046 0.000 2.117 495 D HA -0.150 4.518 4.640 0.045 0.000 0.197 495 D C 2.289 178.552 176.300 -0.062 0.000 0.987 495 D CA 1.260 55.254 54.000 -0.011 0.000 0.829 495 D CB -0.338 40.490 40.800 0.046 0.000 0.961 495 D HN 0.578 nan 8.370 nan 0.000 0.460 496 Q N -0.063 119.714 119.800 -0.038 0.000 2.030 496 Q HA -0.090 4.277 4.340 0.045 0.000 0.204 496 Q C 2.487 178.452 176.000 -0.058 0.000 0.986 496 Q CA 0.844 56.624 55.803 -0.038 0.000 0.843 496 Q CB -0.179 28.545 28.738 -0.023 0.000 0.904 496 Q HN 0.293 nan 8.270 nan 0.000 0.420 497 L N 0.072 121.245 121.223 -0.083 0.000 2.083 497 L HA -0.216 4.151 4.340 0.045 0.000 0.209 497 L C 2.488 179.282 176.870 -0.127 0.000 1.083 497 L CA 0.956 55.740 54.840 -0.092 0.000 0.752 497 L CB -0.582 41.417 42.059 -0.099 0.000 0.899 497 L HN 0.252 nan 8.230 nan 0.000 0.433 498 A N -0.038 122.652 122.820 -0.217 0.000 1.902 498 A HA -0.200 4.147 4.320 0.045 0.000 0.217 498 A C 2.533 180.060 177.584 -0.093 0.000 1.181 498 A CA 1.768 53.690 52.037 -0.192 0.000 0.623 498 A CB -0.714 18.134 19.000 -0.254 0.000 0.818 498 A HN 0.414 nan 8.150 nan 0.000 0.443 499 A N -0.588 122.191 122.820 -0.069 0.000 1.933 499 A HA -0.004 4.344 4.320 0.045 0.000 0.218 499 A C 2.236 179.815 177.584 -0.008 0.000 1.175 499 A CA 1.793 53.811 52.037 -0.032 0.000 0.628 499 A CB -0.915 18.070 19.000 -0.025 0.000 0.814 499 A HN 0.385 nan 8.150 nan 0.000 0.444 500 V N 0.037 119.950 119.914 -0.001 0.000 2.295 500 V HA -0.338 3.810 4.120 0.045 0.000 0.246 500 V C 2.742 178.843 176.094 0.012 0.000 1.049 500 V CA 2.368 64.700 62.300 0.053 0.000 1.024 500 V CB -0.853 31.014 31.823 0.074 0.000 0.648 500 V HN 0.787 nan 8.190 nan 0.000 0.447 501 Q N -0.068 119.708 119.800 -0.041 0.000 2.077 501 Q HA -0.270 4.097 4.340 0.045 0.000 0.206 501 Q C 2.274 178.232 176.000 -0.069 0.000 0.989 501 Q CA 2.322 58.080 55.803 -0.076 0.000 0.853 501 Q CB -0.336 28.360 28.738 -0.069 0.000 0.907 501 Q HN 0.625 nan 8.270 nan 0.000 0.418 502 A N 0.733 123.527 122.820 -0.042 0.000 1.892 502 A HA -0.298 4.049 4.320 0.045 0.000 0.218 502 A C 1.972 179.547 177.584 -0.014 0.000 1.188 502 A CA 1.939 53.958 52.037 -0.029 0.000 0.631 502 A CB -0.826 18.162 19.000 -0.020 0.000 0.822 502 A HN 0.646 nan 8.150 nan 0.000 0.447 503 Q N -1.432 118.382 119.800 0.023 0.000 2.230 503 Q HA -0.040 4.327 4.340 0.045 0.000 0.202 503 Q C 2.024 178.073 176.000 0.082 0.000 0.963 503 Q CA 1.309 57.164 55.803 0.086 0.000 0.866 503 Q CB -0.136 28.684 28.738 0.137 0.000 0.931 503 Q HN 0.735 nan 8.270 nan 0.000 0.452 504 M N -0.403 119.138 119.600 -0.098 0.000 2.200 504 M HA -0.118 4.389 4.480 0.045 0.000 0.265 504 M C 2.029 178.184 176.300 -0.243 0.000 1.066 504 M CA 1.272 56.283 55.300 -0.482 0.000 1.127 504 M CB 0.088 32.230 32.600 -0.763 0.000 1.379 504 M HN 0.013 nan 8.290 nan 0.000 0.420 505 R N 0.780 121.190 120.500 -0.148 0.000 2.105 505 R HA -0.168 4.200 4.340 0.045 0.000 0.239 505 R C 2.092 178.359 176.300 -0.055 0.000 1.135 505 R CA 1.893 57.934 56.100 -0.097 0.000 0.967 505 R CB -0.396 29.860 30.300 -0.073 0.000 0.861 505 R HN 0.424 nan 8.270 nan 0.000 0.442 506 K N -0.817 119.564 120.400 -0.031 0.000 2.025 506 K HA -0.042 4.305 4.320 0.045 0.000 0.207 506 K C 1.880 178.485 176.600 0.008 0.000 1.049 506 K CA 1.288 57.574 56.287 -0.003 0.000 0.933 506 K CB -0.209 32.300 32.500 0.015 0.000 0.714 506 K HN 0.208 nan 8.250 nan 0.000 0.438 507 A N 1.218 124.048 122.820 0.016 0.000 1.940 507 A HA -0.194 4.153 4.320 0.045 0.000 0.219 507 A C 2.116 179.706 177.584 0.011 0.000 1.176 507 A CA 1.829 53.889 52.037 0.039 0.000 0.631 507 A CB -0.491 18.558 19.000 0.082 0.000 0.814 507 A HN 0.364 nan 8.150 nan 0.000 0.446 508 M N -0.676 118.910 119.600 -0.023 0.000 2.099 508 M HA -0.104 4.403 4.480 0.045 0.000 0.262 508 M C 2.598 178.914 176.300 0.026 0.000 1.067 508 M CA 1.406 56.713 55.300 0.011 0.000 1.124 508 M CB -0.484 32.115 32.600 -0.001 0.000 1.353 508 M HN 0.457 nan 8.290 nan 0.000 0.410 509 A N 0.873 123.699 122.820 0.011 0.000 1.859 509 A HA -0.225 4.122 4.320 0.045 0.000 0.217 509 A C 2.148 179.742 177.584 0.017 0.000 1.198 509 A CA 2.034 54.079 52.037 0.013 0.000 0.629 509 A CB -0.715 18.287 19.000 0.004 0.000 0.830 509 A HN 0.423 nan 8.150 nan 0.000 0.446 510 K N -1.102 119.308 120.400 0.018 0.000 2.009 510 K HA -0.144 4.203 4.320 0.045 0.000 0.210 510 K C 2.210 178.823 176.600 0.022 0.000 1.049 510 K CA 1.252 57.551 56.287 0.020 0.000 0.929 510 K CB -0.690 31.825 32.500 0.024 0.000 0.714 510 K HN 0.493 nan 8.250 nan 0.000 0.440 511 G N 1.806 110.623 108.800 0.029 0.000 2.513 511 G HA2 -0.268 3.719 3.960 0.045 0.000 0.219 511 G HA3 -0.268 3.719 3.960 0.045 0.000 0.219 511 G C 1.530 176.442 174.900 0.019 0.000 1.160 511 G CA 0.948 46.065 45.100 0.029 0.000 0.767 511 G HN 0.133 nan 8.290 nan 0.000 0.571 512 L N -0.229 121.006 121.223 0.018 0.000 2.093 512 L HA -0.006 4.361 4.340 0.045 0.000 0.208 512 L C 2.987 179.858 176.870 0.003 0.000 1.085 512 L CA 0.914 55.758 54.840 0.007 0.000 0.755 512 L CB -0.219 41.849 42.059 0.015 0.000 0.904 512 L HN 0.178 nan 8.230 nan 0.000 0.435 513 R N -0.048 120.456 120.500 0.007 0.000 2.299 513 R HA 0.104 4.471 4.340 0.045 0.000 0.197 513 R C 1.349 177.652 176.300 0.006 0.000 0.971 513 R CA 0.648 56.751 56.100 0.005 0.000 1.030 513 R CB 0.020 30.323 30.300 0.006 0.000 0.932 513 R HN 0.455 nan 8.270 nan 0.000 0.477 514 G N 0.795 109.601 108.800 0.009 0.000 2.157 514 G HA2 -0.274 3.713 3.960 0.045 0.000 0.239 514 G HA3 -0.274 3.713 3.960 0.045 0.000 0.239 514 G C -0.006 174.901 174.900 0.013 0.000 0.982 514 G CA 0.193 45.299 45.100 0.010 0.000 0.650 514 G HN 0.284 nan 8.290 nan 0.000 0.527 515 E N -0.587 119.622 120.200 0.014 0.000 2.376 515 E HA 0.640 5.017 4.350 0.045 0.000 0.254 515 E C 0.905 177.517 176.600 0.020 0.000 1.213 515 E CA -0.038 56.371 56.400 0.015 0.000 0.945 515 E CB 1.028 30.737 29.700 0.014 0.000 1.057 515 E HN 1.645 nan 8.360 nan 0.000 0.479 516 A N 0.961 123.793 122.820 0.020 0.000 2.438 516 A HA 0.429 4.776 4.320 0.045 0.000 0.280 516 A C 0.304 177.908 177.584 0.033 0.000 1.160 516 A CA 0.221 52.272 52.037 0.024 0.000 0.821 516 A CB -0.162 18.850 19.000 0.019 0.000 1.101 516 A HN 0.363 nan 8.150 nan 0.000 0.515 517 S N 1.156 116.881 115.700 0.043 0.000 2.599 517 S HA 0.540 5.038 4.470 0.045 0.000 0.287 517 S C 1.054 175.700 174.600 0.077 0.000 1.105 517 S CA 0.074 58.312 58.200 0.062 0.000 0.899 517 S CB 1.465 64.702 63.200 0.061 0.000 1.100 517 S HN 1.183 nan 8.310 nan 0.000 0.482 518 S N 2.050 117.818 115.700 0.113 0.000 2.528 518 S HA 0.317 4.815 4.470 0.045 0.000 0.219 518 S C 0.336 175.034 174.600 0.164 0.000 0.985 518 S CA -0.180 58.097 58.200 0.129 0.000 0.914 518 S CB -0.546 62.728 63.200 0.124 0.000 0.776 518 S HN 0.573 nan 8.310 nan 0.000 0.526 519 L N 1.564 122.878 121.223 0.151 0.000 2.265 519 L HA 0.563 4.930 4.340 0.045 0.000 0.288 519 L C 1.886 178.808 176.870 0.087 0.000 1.058 519 L CA -0.535 54.380 54.840 0.124 0.000 0.809 519 L CB 0.992 43.102 42.059 0.084 0.000 1.179 519 L HN 0.248 nan 8.230 nan 0.000 0.429 520 R N 3.526 124.074 120.500 0.080 0.000 2.115 520 R HA -0.019 4.349 4.340 0.045 0.000 0.226 520 R C 1.093 177.414 176.300 0.036 0.000 1.100 520 R CA 0.898 57.031 56.100 0.055 0.000 0.980 520 R CB -0.580 29.752 30.300 0.052 0.000 0.875 520 R HN 0.786 nan 8.270 nan 0.000 0.445 521 M N -0.531 119.088 119.600 0.032 0.000 2.399 521 M HA -0.124 4.383 4.480 0.045 0.000 0.191 521 M C -0.962 175.324 176.300 -0.023 0.000 0.732 521 M CA 0.286 55.588 55.300 0.004 0.000 0.512 521 M CB -2.354 30.255 32.600 0.015 0.000 1.191 521 M HN 0.328 nan 8.290 nan 0.000 0.894 522 L N 1.929 123.139 121.223 -0.021 0.000 2.319 522 L HA 0.322 4.689 4.340 0.045 0.000 0.280 522 L C -1.590 175.256 176.870 -0.040 0.000 1.099 522 L CA -1.710 53.123 54.840 -0.012 0.000 0.828 522 L CB 0.431 42.495 42.059 0.008 0.000 1.150 522 L HN 0.083 nan 8.230 nan 0.000 0.442 523 P HA 0.030 nan 4.420 nan 0.000 0.268 523 P C 0.543 177.867 177.300 0.041 0.000 1.204 523 P CA -0.115 62.935 63.100 -0.083 0.000 0.768 523 P CB 0.805 32.425 31.700 -0.132 0.000 0.842 524 T N -0.987 113.560 114.554 -0.011 0.000 3.023 524 T HA 0.162 4.539 4.350 0.045 0.000 0.253 524 T C 0.588 175.418 174.700 0.216 0.000 1.038 524 T CA -0.133 62.017 62.100 0.084 0.000 0.962 524 T CB -0.833 68.032 68.868 -0.005 0.000 1.018 524 T HN 0.181 nan 8.240 nan 0.000 0.521 525 F N 0.539 120.456 119.950 -0.054 0.000 3.093 525 F HA -0.157 4.388 4.527 0.029 0.000 0.287 525 F C -0.091 175.685 175.800 -0.040 0.000 0.882 525 F CA 0.008 57.982 58.000 -0.042 0.000 1.063 525 F CB -2.125 36.855 39.000 -0.033 0.000 1.097 525 F HN 0.121 nan 8.300 nan 0.000 0.604 526 V N 1.226 121.156 119.914 0.027 0.000 2.318 526 V HA 0.250 4.398 4.120 0.045 0.000 0.271 526 V C 1.178 177.245 176.094 -0.045 0.000 1.030 526 V CA -0.367 61.934 62.300 0.001 0.000 0.844 526 V CB 1.423 33.237 31.823 -0.016 0.000 1.015 526 V HN 0.229 nan 8.190 nan 0.000 0.460 527 R N 2.956 123.438 120.500 -0.030 0.000 2.334 527 R HA 0.592 4.959 4.340 0.045 0.000 0.216 527 R C 0.364 176.642 176.300 -0.036 0.000 0.905 527 R CA 0.331 56.401 56.100 -0.050 0.000 1.064 527 R CB 0.746 31.024 30.300 -0.037 0.000 1.046 527 R HN 0.662 nan 8.270 nan 0.000 0.508 528 A N 0.586 123.391 122.820 -0.025 0.000 2.594 528 A HA 0.336 4.683 4.320 0.045 0.000 0.296 528 A C -0.195 177.381 177.584 -0.013 0.000 1.061 528 A CA -0.840 51.186 52.037 -0.018 0.000 0.689 528 A CB 0.970 19.965 19.000 -0.009 0.000 1.280 528 A HN 0.139 nan 8.150 nan 0.000 0.406 529 T N -0.029 114.518 114.554 -0.012 0.000 2.813 529 T HA 0.544 4.922 4.350 0.045 0.000 0.297 529 T C -2.410 172.294 174.700 0.007 0.000 1.036 529 T CA -1.223 60.875 62.100 -0.004 0.000 1.044 529 T CB -0.169 68.696 68.868 -0.006 0.000 0.993 529 T HN 0.357 nan 8.240 nan 0.000 0.535 530 P HA 0.170 nan 4.420 nan 0.000 0.251 530 P C -0.132 177.182 177.300 0.022 0.000 1.154 530 P CA 0.871 63.997 63.100 0.044 0.000 0.805 530 P CB -0.688 31.070 31.700 0.095 0.000 0.759 531 D N 3.914 124.328 120.400 0.022 0.000 2.453 531 D HA 0.439 5.106 4.640 0.045 0.000 0.223 531 D C 1.334 177.644 176.300 0.017 0.000 1.183 531 D CA 0.128 54.136 54.000 0.013 0.000 0.933 531 D CB -0.214 40.595 40.800 0.014 0.000 1.038 531 D HN 0.583 nan 8.370 nan 0.000 0.513 532 G N 0.676 109.477 108.800 0.001 0.000 2.634 532 G HA2 0.187 4.174 3.960 0.045 0.000 0.309 532 G HA3 0.187 4.174 3.960 0.045 0.000 0.309 532 G C 1.080 175.995 174.900 0.026 0.000 1.265 532 G CA 0.715 45.813 45.100 -0.002 0.000 0.998 532 G HN 1.840 nan 8.290 nan 0.000 0.551 533 S N 0.598 116.321 115.700 0.038 0.000 2.513 533 S HA 0.639 5.136 4.470 0.045 0.000 0.276 533 S C 0.125 174.775 174.600 0.083 0.000 1.254 533 S CA 0.804 59.045 58.200 0.068 0.000 1.053 533 S CB 0.454 63.688 63.200 0.055 0.000 0.958 533 S HN 0.729 nan 8.310 nan 0.000 0.491 534 E N 1.272 121.542 120.200 0.116 0.000 2.642 534 E HA 0.456 4.833 4.350 0.045 0.000 0.284 534 E C 0.184 176.885 176.600 0.168 0.000 1.039 534 E CA -0.587 55.887 56.400 0.125 0.000 0.777 534 E CB 0.996 30.760 29.700 0.107 0.000 1.473 534 E HN 0.780 nan 8.360 nan 0.000 0.388 535 R N 1.106 121.700 120.500 0.158 0.000 2.541 535 R HA 0.907 5.274 4.340 0.045 0.000 0.263 535 R C 0.569 177.002 176.300 0.222 0.000 1.112 535 R CA 0.185 56.383 56.100 0.162 0.000 1.170 535 R CB 0.569 30.924 30.300 0.090 0.000 1.167 535 R HN 0.749 nan 8.270 nan 0.000 0.582 536 G N 0.203 109.065 108.800 0.103 0.000 2.317 536 G HA2 0.312 4.299 3.960 0.045 0.000 0.445 536 G HA3 0.312 4.299 3.960 0.045 0.000 0.445 536 G C -2.105 172.531 174.900 -0.440 0.000 1.486 536 G CA -0.470 44.471 45.100 -0.265 0.000 0.991 536 G HN 0.689 nan 8.290 nan 0.000 0.660 537 D N 0.289 120.281 120.400 -0.679 0.000 2.381 537 D HA 0.688 5.355 4.640 0.045 0.000 0.235 537 D C -0.564 175.383 176.300 -0.588 0.000 1.068 537 D CA 0.240 54.002 54.000 -0.396 0.000 0.832 537 D CB 1.079 41.766 40.800 -0.188 0.000 1.101 537 D HN 0.244 nan 8.370 nan 0.000 0.515 538 F N 0.451 120.415 119.950 0.023 0.000 2.551 538 F HA 0.400 4.956 4.527 0.048 0.000 0.316 538 F C 0.292 176.112 175.800 0.033 0.000 1.089 538 F CA -1.158 56.857 58.000 0.025 0.000 0.915 538 F CB 1.438 40.449 39.000 0.018 0.000 1.186 538 F HN 0.015 nan 8.300 nan 0.000 0.456 539 L N 2.242 123.589 121.223 0.206 0.000 2.421 539 L HA 0.908 5.275 4.340 0.045 0.000 0.263 539 L C -0.181 176.747 176.870 0.097 0.000 1.122 539 L CA -0.348 54.572 54.840 0.133 0.000 0.804 539 L CB 0.987 43.105 42.059 0.099 0.000 1.150 539 L HN 0.962 nan 8.230 nan 0.000 0.457 540 A N 3.648 126.469 122.820 0.002 0.000 2.465 540 A HA 0.710 5.057 4.320 0.045 0.000 0.292 540 A C -1.238 176.282 177.584 -0.107 0.000 1.041 540 A CA -0.535 51.488 52.037 -0.023 0.000 0.718 540 A CB 1.129 20.125 19.000 -0.006 0.000 1.266 540 A HN 0.829 nan 8.150 nan 0.000 0.403 541 L N 1.427 122.598 121.223 -0.086 0.000 2.344 541 L HA 0.611 4.978 4.340 0.045 0.000 0.272 541 L C -0.623 176.321 176.870 0.123 0.000 1.035 541 L CA -0.620 54.164 54.840 -0.094 0.000 0.807 541 L CB 1.737 43.535 42.059 -0.434 0.000 1.237 541 L HN 0.732 nan 8.230 nan 0.000 0.442 542 D N 2.931 123.434 120.400 0.172 0.000 2.336 542 D HA 0.372 5.039 4.640 0.045 0.000 0.248 542 D C -1.669 174.882 176.300 0.418 0.000 1.326 542 D CA -0.288 53.854 54.000 0.238 0.000 0.973 542 D CB 1.364 42.205 40.800 0.069 0.000 1.255 542 D HN 0.140 nan 8.370 nan 0.000 0.558 543 L N 2.498 124.035 121.223 0.523 0.000 2.365 543 L HA 0.836 5.203 4.340 0.045 0.000 0.273 543 L C 1.011 177.991 176.870 0.184 0.000 1.000 543 L CA 0.472 55.616 54.840 0.507 0.000 0.819 543 L CB 1.922 44.362 42.059 0.635 0.000 1.284 543 L HN 0.542 nan 8.230 nan 0.000 0.418 544 G N 2.315 111.184 108.800 0.114 0.000 2.255 544 G HA2 -0.105 3.882 3.960 0.045 0.000 0.196 544 G HA3 -0.105 3.882 3.960 0.045 0.000 0.196 544 G C 0.354 175.205 174.900 -0.082 0.000 0.998 544 G CA -0.129 44.841 45.100 -0.217 0.000 0.656 544 G HN 1.143 nan 8.290 nan 0.000 0.490 545 G N -0.322 108.500 108.800 0.037 0.000 2.543 545 G HA2 0.540 4.528 3.960 0.045 0.000 0.290 545 G HA3 0.540 4.528 3.960 0.045 0.000 0.290 545 G C 1.409 176.381 174.900 0.121 0.000 1.310 545 G CA 1.103 46.232 45.100 0.048 0.000 1.025 545 G HN 1.036 nan 8.290 nan 0.000 0.502 546 T N -1.775 112.827 114.554 0.081 0.000 2.803 546 T HA -0.083 4.294 4.350 0.045 0.000 0.269 546 T C 0.757 175.521 174.700 0.107 0.000 1.052 546 T CA 0.914 63.063 62.100 0.081 0.000 1.136 546 T CB -0.172 68.725 68.868 0.047 0.000 0.864 546 T HN 0.259 nan 8.240 nan 0.000 0.467 547 N N 0.948 119.716 118.700 0.113 0.000 2.342 547 N HA 0.455 5.223 4.740 0.045 0.000 0.293 547 N C -1.731 173.907 175.510 0.214 0.000 1.026 547 N CA -0.707 52.421 53.050 0.130 0.000 0.857 547 N CB 1.669 40.190 38.487 0.058 0.000 1.256 547 N HN 0.280 nan 8.380 nan 0.000 0.484 548 F N 2.401 122.423 119.950 0.121 0.000 2.404 548 F HA 0.499 5.052 4.527 0.044 0.000 0.345 548 F C 0.049 175.923 175.800 0.123 0.000 1.110 548 F CA -0.673 57.416 58.000 0.148 0.000 1.130 548 F CB 0.730 39.850 39.000 0.201 0.000 1.129 548 F HN 0.328 nan 8.300 nan 0.000 0.500 549 R N 5.097 125.185 120.500 -0.687 0.000 2.604 549 R HA 0.653 5.020 4.340 0.045 0.000 0.281 549 R C -2.086 173.775 176.300 -0.731 0.000 1.020 549 R CA -0.759 54.972 56.100 -0.615 0.000 0.899 549 R CB 2.084 32.217 30.300 -0.279 0.000 1.205 549 R HN 0.599 nan 8.270 nan 0.000 0.450 550 V N 5.331 124.838 119.914 -0.678 0.000 2.532 550 V HA 0.566 4.713 4.120 0.045 0.000 0.295 550 V C -0.359 175.144 176.094 -0.985 0.000 1.041 550 V CA -0.642 61.196 62.300 -0.771 0.000 0.926 550 V CB 1.621 32.966 31.823 -0.797 0.000 0.992 550 V HN 0.602 nan 8.190 nan 0.000 0.457 551 L N 4.501 125.288 121.223 -0.726 0.000 2.445 551 L HA 0.573 4.941 4.340 0.045 0.000 0.262 551 L C -1.114 175.725 176.870 -0.051 0.000 0.974 551 L CA -0.548 54.079 54.840 -0.355 0.000 0.822 551 L CB 2.122 44.083 42.059 -0.164 0.000 1.339 551 L HN 0.479 nan 8.230 nan 0.000 0.409 552 L N 3.679 125.036 121.223 0.223 0.000 2.296 552 L HA 0.748 5.115 4.340 0.045 0.000 0.286 552 L C -1.006 175.952 176.870 0.147 0.000 1.023 552 L CA -0.254 54.733 54.840 0.245 0.000 0.812 552 L CB 1.714 43.946 42.059 0.289 0.000 1.223 552 L HN 0.315 nan 8.230 nan 0.000 0.421 553 V N 4.682 124.684 119.914 0.147 0.000 2.409 553 V HA 0.509 4.656 4.120 0.045 0.000 0.290 553 V C -0.026 176.172 176.094 0.174 0.000 1.017 553 V CA -0.715 61.664 62.300 0.132 0.000 0.841 553 V CB 1.235 33.127 31.823 0.114 0.000 1.003 553 V HN 0.616 nan 8.190 nan 0.000 0.426 554 R N 3.184 123.746 120.500 0.104 0.000 2.215 554 R HA 0.582 4.949 4.340 0.045 0.000 0.337 554 R C -0.467 175.885 176.300 0.087 0.000 1.010 554 R CA -0.428 55.722 56.100 0.084 0.000 0.871 554 R CB 1.469 31.794 30.300 0.042 0.000 1.134 554 R HN 0.586 nan 8.270 nan 0.000 0.477 555 V N 3.458 123.459 119.914 0.145 0.000 2.350 555 V HA 0.504 4.651 4.120 0.045 0.000 0.276 555 V C 0.982 177.147 176.094 0.118 0.000 1.028 555 V CA -0.089 62.289 62.300 0.131 0.000 0.860 555 V CB 1.295 33.239 31.823 0.201 0.000 0.990 555 V HN 1.091 nan 8.190 nan 0.000 0.453 556 T N 0.961 115.574 114.554 0.099 0.000 2.352 556 T HA 0.388 4.766 4.350 0.045 0.000 0.186 556 T C 1.645 176.411 174.700 0.109 0.000 0.706 556 T CA 0.551 62.704 62.100 0.088 0.000 1.355 556 T CB 0.253 69.156 68.868 0.059 0.000 2.156 556 T HN 0.497 nan 8.240 nan 0.000 0.441 557 T N 0.502 115.109 114.554 0.089 0.000 2.708 557 T HA 0.447 4.824 4.350 0.045 0.000 0.266 557 T C 1.171 175.958 174.700 0.146 0.000 1.037 557 T CA 1.483 63.640 62.100 0.096 0.000 1.146 557 T CB -1.157 67.750 68.868 0.065 0.000 0.865 557 T HN 0.922 nan 8.240 nan 0.000 0.435 558 G N -0.833 108.045 108.800 0.130 0.000 2.887 558 G HA2 0.564 4.551 3.960 0.045 0.000 0.277 558 G HA3 0.564 4.551 3.960 0.045 0.000 0.277 558 G C -1.363 173.593 174.900 0.095 0.000 1.346 558 G CA -0.257 44.936 45.100 0.155 0.000 1.058 558 G HN 0.284 nan 8.290 nan 0.000 0.535 559 V N 0.079 120.008 119.914 0.026 0.000 2.487 559 V HA 0.514 4.661 4.120 0.045 0.000 0.298 559 V C -0.426 175.653 176.094 -0.025 0.000 1.028 559 V CA -0.553 61.706 62.300 -0.070 0.000 0.860 559 V CB 1.472 33.122 31.823 -0.288 0.000 0.991 559 V HN 0.755 nan 8.190 nan 0.000 0.427 560 Q N 4.329 124.127 119.800 -0.003 0.000 2.310 560 Q HA 0.681 5.048 4.340 0.045 0.000 0.270 560 Q C -1.673 174.340 176.000 0.022 0.000 1.025 560 Q CA -0.489 55.322 55.803 0.013 0.000 0.772 560 Q CB 1.977 30.728 28.738 0.022 0.000 1.253 560 Q HN 0.750 nan 8.270 nan 0.000 0.450 561 I N 2.952 123.534 120.570 0.020 0.000 2.436 561 I HA 0.408 4.606 4.170 0.045 0.000 0.289 561 I C -0.516 175.633 176.117 0.053 0.000 1.010 561 I CA -0.540 60.781 61.300 0.034 0.000 1.098 561 I CB 2.350 40.356 38.000 0.010 0.000 1.266 561 I HN 0.553 nan 8.210 nan 0.000 0.434 562 T N 3.773 118.387 114.554 0.099 0.000 2.912 562 T HA 0.723 5.101 4.350 0.045 0.000 0.288 562 T C -0.336 174.495 174.700 0.219 0.000 1.030 562 T CA -0.714 61.469 62.100 0.139 0.000 1.020 562 T CB 1.871 70.823 68.868 0.139 0.000 1.056 562 T HN 0.753 nan 8.240 nan 0.000 0.480 563 S N 0.752 116.577 115.700 0.208 0.000 2.643 563 S HA 0.740 5.237 4.470 0.045 0.000 0.270 563 S C -1.869 172.815 174.600 0.140 0.000 1.166 563 S CA -0.948 57.322 58.200 0.115 0.000 0.815 563 S CB 2.402 65.575 63.200 -0.045 0.000 1.139 563 S HN 0.844 nan 8.310 nan 0.000 0.472 564 E N 0.341 120.501 120.200 -0.067 0.000 2.347 564 E HA 0.472 4.849 4.350 0.045 0.000 0.285 564 E C -1.526 174.806 176.600 -0.446 0.000 0.925 564 E CA -0.692 55.595 56.400 -0.188 0.000 0.779 564 E CB 1.478 31.133 29.700 -0.074 0.000 1.233 564 E HN 0.718 nan 8.360 nan 0.000 0.414 565 I N 3.740 124.068 120.570 -0.403 0.000 2.532 565 I HA 0.301 4.498 4.170 0.045 0.000 0.292 565 I C -0.734 175.091 176.117 -0.486 0.000 1.014 565 I CA -0.340 60.761 61.300 -0.331 0.000 1.340 565 I CB 0.562 38.477 38.000 -0.142 0.000 1.422 565 I HN 0.487 nan 8.210 nan 0.000 0.528 566 Y N 2.564 122.871 120.300 0.012 0.000 2.545 566 Y HA 0.527 5.104 4.550 0.044 0.000 0.348 566 Y C 0.562 176.625 175.900 0.272 0.000 1.002 566 Y CA -0.825 57.371 58.100 0.160 0.000 1.039 566 Y CB 1.541 40.134 38.460 0.221 0.000 1.271 566 Y HN 0.597 nan 8.280 nan 0.000 0.467 567 S N 2.219 118.169 115.700 0.417 0.000 2.537 567 S HA 0.713 5.210 4.470 0.045 0.000 0.275 567 S C -0.438 174.329 174.600 0.278 0.000 1.272 567 S CA -0.404 57.963 58.200 0.278 0.000 1.050 567 S CB -0.055 63.248 63.200 0.171 0.000 0.961 567 S HN 0.579 nan 8.310 nan 0.000 0.496 568 I N 4.514 125.162 120.570 0.130 0.000 2.563 568 I HA 0.240 4.438 4.170 0.045 0.000 0.276 568 I C -2.388 173.651 176.117 -0.130 0.000 1.074 568 I CA -1.580 59.695 61.300 -0.041 0.000 1.124 568 I CB 1.601 39.588 38.000 -0.021 0.000 1.225 568 I HN 0.406 nan 8.210 nan 0.000 0.482 569 P HA 0.170 nan 4.420 nan 0.000 0.270 569 P C 1.143 178.308 177.300 -0.224 0.000 1.223 569 P CA 0.019 63.025 63.100 -0.157 0.000 0.785 569 P CB 0.715 32.334 31.700 -0.136 0.000 0.923 570 E N 0.500 120.578 120.200 -0.203 0.000 2.147 570 E HA -0.243 4.134 4.350 0.045 0.000 0.199 570 E C 1.715 178.177 176.600 -0.231 0.000 1.005 570 E CA 2.497 58.754 56.400 -0.238 0.000 0.810 570 E CB -1.936 27.664 29.700 -0.167 0.000 0.736 570 E HN 0.625 nan 8.360 nan 0.000 0.460 571 T N 0.309 114.754 114.554 -0.181 0.000 2.635 571 T HA -0.175 4.202 4.350 0.045 0.000 0.267 571 T C 2.168 176.752 174.700 -0.193 0.000 1.040 571 T CA 2.053 64.058 62.100 -0.159 0.000 1.156 571 T CB -0.447 68.343 68.868 -0.130 0.000 0.863 571 T HN 0.347 nan 8.240 nan 0.000 0.430 572 V N 1.487 121.260 119.914 -0.236 0.000 2.453 572 V HA -0.039 4.108 4.120 0.045 0.000 0.247 572 V C 2.876 178.780 176.094 -0.315 0.000 1.048 572 V CA 1.382 63.526 62.300 -0.260 0.000 1.049 572 V CB -1.203 30.422 31.823 -0.330 0.000 0.672 572 V HN 0.531 nan 8.190 nan 0.000 0.457 573 A N -0.474 122.081 122.820 -0.442 0.000 1.972 573 A HA -0.220 4.127 4.320 0.045 0.000 0.219 573 A C 2.023 179.240 177.584 -0.612 0.000 1.169 573 A CA 1.640 53.233 52.037 -0.741 0.000 0.635 573 A CB -0.293 18.040 19.000 -1.113 0.000 0.810 573 A HN 0.658 nan 8.150 nan 0.000 0.446 574 Q N -0.862 118.695 119.800 -0.404 0.000 2.179 574 Q HA 0.251 4.618 4.340 0.045 0.000 0.213 574 Q C 1.193 177.080 176.000 -0.187 0.000 0.833 574 Q CA 0.052 55.681 55.803 -0.290 0.000 0.990 574 Q CB 0.764 29.372 28.738 -0.215 0.000 1.132 574 Q HN 0.577 nan 8.270 nan 0.000 0.493 575 G N 1.350 110.044 108.800 -0.178 0.000 3.086 575 G HA2 0.123 4.110 3.960 0.045 0.000 0.159 575 G HA3 0.123 4.110 3.960 0.045 0.000 0.159 575 G C 0.027 174.895 174.900 -0.053 0.000 1.654 575 G CA -0.071 44.968 45.100 -0.103 0.000 1.078 575 G HN 0.275 nan 8.290 nan 0.000 0.558 576 S N -0.809 114.880 115.700 -0.018 0.000 2.541 576 S HA 0.510 5.007 4.470 0.045 0.000 0.283 576 S C 1.388 176.042 174.600 0.089 0.000 1.196 576 S CA 0.255 58.477 58.200 0.037 0.000 1.062 576 S CB 1.463 64.685 63.200 0.037 0.000 1.009 576 S HN 0.895 nan 8.310 nan 0.000 0.502 577 G N 1.481 110.379 108.800 0.164 0.000 2.469 577 G HA2 -0.196 3.792 3.960 0.045 0.000 0.219 577 G HA3 -0.196 3.792 3.960 0.045 0.000 0.219 577 G C 1.599 176.687 174.900 0.313 0.000 1.150 577 G CA 1.349 46.632 45.100 0.306 0.000 0.763 577 G HN 1.095 nan 8.290 nan 0.000 0.561 578 Q N 0.073 119.981 119.800 0.179 0.000 2.045 578 Q HA -0.227 4.140 4.340 0.045 0.000 0.206 578 Q C 2.475 178.567 176.000 0.153 0.000 0.991 578 Q CA 2.231 58.122 55.803 0.147 0.000 0.851 578 Q CB -0.872 27.916 28.738 0.084 0.000 0.911 578 Q HN 0.707 nan 8.270 nan 0.000 0.418 579 Q N -0.666 119.196 119.800 0.103 0.000 2.084 579 Q HA -0.083 4.285 4.340 0.045 0.000 0.202 579 Q C 2.282 178.325 176.000 0.073 0.000 0.978 579 Q CA 1.321 57.164 55.803 0.067 0.000 0.844 579 Q CB -0.202 28.543 28.738 0.011 0.000 0.898 579 Q HN 0.571 nan 8.270 nan 0.000 0.426 580 L N -0.119 121.144 121.223 0.067 0.000 1.970 580 L HA -0.184 4.184 4.340 0.045 0.000 0.212 580 L C 1.838 178.673 176.870 -0.058 0.000 1.071 580 L CA 1.875 56.695 54.840 -0.033 0.000 0.751 580 L CB -0.575 41.447 42.059 -0.063 0.000 0.889 580 L HN 0.131 nan 8.230 nan 0.000 0.432 581 F N -0.447 119.556 119.950 0.089 0.000 2.367 581 F HA -0.106 4.443 4.527 0.036 0.000 0.298 581 F C 2.163 177.995 175.800 0.053 0.000 1.094 581 F CA 0.851 58.899 58.000 0.081 0.000 1.409 581 F CB -0.507 38.549 39.000 0.093 0.000 1.064 581 F HN 0.162 nan 8.300 nan 0.000 0.528 582 D N -0.782 119.746 120.400 0.213 0.000 2.104 582 D HA -0.235 4.432 4.640 0.045 0.000 0.194 582 D C 2.019 178.376 176.300 0.095 0.000 0.994 582 D CA 1.616 55.694 54.000 0.131 0.000 0.830 582 D CB -0.525 40.340 40.800 0.109 0.000 0.959 582 D HN 0.272 nan 8.370 nan 0.000 0.452 583 H N 0.165 119.226 119.070 -0.015 0.000 2.319 583 H HA -0.029 4.553 4.556 0.044 0.000 0.299 583 H C 2.127 177.405 175.328 -0.084 0.000 1.092 583 H CA 1.370 57.384 56.048 -0.058 0.000 1.302 583 H CB -0.381 29.327 29.762 -0.090 0.000 1.373 583 H HN 0.101 nan 8.280 nan 0.000 0.497 584 I N -0.690 119.815 120.570 -0.109 0.000 2.163 584 I HA -0.303 3.895 4.170 0.045 0.000 0.243 584 I C 2.303 178.387 176.117 -0.055 0.000 1.085 584 I CA 1.308 62.515 61.300 -0.154 0.000 1.347 584 I CB -0.302 37.590 38.000 -0.179 0.000 1.044 584 I HN 0.168 nan 8.210 nan 0.000 0.408 585 V N 0.694 120.604 119.914 -0.007 0.000 2.295 585 V HA -0.313 3.834 4.120 0.045 0.000 0.246 585 V C 2.132 178.191 176.094 -0.059 0.000 1.049 585 V CA 2.070 64.369 62.300 -0.000 0.000 1.024 585 V CB -0.754 31.093 31.823 0.041 0.000 0.648 585 V HN 0.413 nan 8.190 nan 0.000 0.447 586 D N -0.188 120.156 120.400 -0.095 0.000 2.149 586 D HA -0.208 4.459 4.640 0.045 0.000 0.194 586 D C 2.179 178.347 176.300 -0.220 0.000 1.001 586 D CA 2.004 55.925 54.000 -0.131 0.000 0.849 586 D CB -0.455 40.260 40.800 -0.142 0.000 0.939 586 D HN 0.509 nan 8.370 nan 0.000 0.449 587 C N 0.465 119.534 119.300 -0.384 0.000 2.429 587 C HA -0.062 4.425 4.460 0.045 0.000 0.277 587 C C 2.901 177.698 174.990 -0.322 0.000 1.262 587 C CA -0.123 58.486 59.018 -0.681 0.000 1.733 587 C CB -1.013 26.182 27.740 -0.909 0.000 2.010 587 C HN 0.330 nan 8.230 nan 0.000 0.483 588 I N 1.233 121.723 120.570 -0.133 0.000 2.142 588 I HA -0.179 4.018 4.170 0.045 0.000 0.240 588 I C 2.781 178.938 176.117 0.066 0.000 1.078 588 I CA 2.023 63.325 61.300 0.004 0.000 1.343 588 I CB -0.871 37.131 38.000 0.002 0.000 1.046 588 I HN 0.318 nan 8.210 nan 0.000 0.405 589 V N 0.680 120.601 119.914 0.013 0.000 2.282 589 V HA -0.387 3.760 4.120 0.045 0.000 0.249 589 V C 2.325 178.443 176.094 0.041 0.000 1.057 589 V CA 2.906 65.219 62.300 0.023 0.000 1.032 589 V CB -0.795 31.028 31.823 0.001 0.000 0.645 589 V HN 0.474 nan 8.190 nan 0.000 0.447 590 D N -1.141 119.275 120.400 0.027 0.000 2.087 590 D HA -0.234 4.433 4.640 0.045 0.000 0.192 590 D C 2.066 178.462 176.300 0.160 0.000 0.993 590 D CA 1.976 56.023 54.000 0.078 0.000 0.828 590 D CB -0.016 40.824 40.800 0.067 0.000 0.968 590 D HN 0.552 nan 8.370 nan 0.000 0.448 591 F N 1.504 121.501 119.950 0.078 0.000 2.046 591 F HA -0.205 4.351 4.527 0.049 0.000 0.297 591 F C 2.793 178.620 175.800 0.045 0.000 1.123 591 F CA 1.860 59.925 58.000 0.108 0.000 1.199 591 F CB -0.564 38.508 39.000 0.120 0.000 0.972 591 F HN 0.018 nan 8.300 nan 0.000 0.474 592 Q N -0.493 119.392 119.800 0.142 0.000 2.096 592 Q HA -0.344 4.023 4.340 0.045 0.000 0.208 592 Q C 2.446 178.412 176.000 -0.058 0.000 0.993 592 Q CA 2.651 58.467 55.803 0.022 0.000 0.862 592 Q CB -0.738 28.041 28.738 0.068 0.000 0.915 592 Q HN 0.717 nan 8.270 nan 0.000 0.416 593 Q N 1.393 121.178 119.800 -0.024 0.000 2.124 593 Q HA -0.202 4.165 4.340 0.045 0.000 0.202 593 Q C 1.724 177.683 176.000 -0.068 0.000 0.977 593 Q CA 1.954 57.737 55.803 -0.032 0.000 0.850 593 Q CB -0.513 28.222 28.738 -0.005 0.000 0.901 593 Q HN 0.373 nan 8.270 nan 0.000 0.429 594 K N -0.300 120.038 120.400 -0.103 0.000 2.288 594 K HA -0.028 4.319 4.320 0.045 0.000 0.201 594 K C 2.121 178.592 176.600 -0.215 0.000 1.048 594 K CA 1.034 57.237 56.287 -0.139 0.000 0.956 594 K CB 0.426 32.845 32.500 -0.135 0.000 0.746 594 K HN 0.394 nan 8.250 nan 0.000 0.461 595 Q N -1.005 118.616 119.800 -0.300 0.000 2.384 595 Q HA 0.113 4.480 4.340 0.045 0.000 0.207 595 Q C 1.077 176.983 176.000 -0.157 0.000 0.904 595 Q CA 0.805 56.431 55.803 -0.295 0.000 0.933 595 Q CB 1.377 29.838 28.738 -0.462 0.000 1.077 595 Q HN 0.463 nan 8.270 nan 0.000 0.522 596 G N 0.178 108.909 108.800 -0.115 0.000 2.179 596 G HA2 -0.399 3.588 3.960 0.045 0.000 0.260 596 G HA3 -0.399 3.588 3.960 0.045 0.000 0.260 596 G C 1.162 176.030 174.900 -0.054 0.000 0.977 596 G CA 0.877 45.935 45.100 -0.070 0.000 0.641 596 G HN 0.422 nan 8.290 nan 0.000 0.533 597 L N -1.654 119.533 121.223 -0.059 0.000 1.989 597 L HA 0.388 4.755 4.340 0.045 0.000 0.211 597 L C 3.275 180.136 176.870 -0.015 0.000 1.071 597 L CA 3.967 58.790 54.840 -0.027 0.000 0.749 597 L CB -1.744 40.313 42.059 -0.002 0.000 0.890 597 L HN 2.622 nan 8.230 nan 0.000 0.431 598 S N -1.532 114.160 115.700 -0.013 0.000 4.155 598 S HA -0.327 4.171 4.470 0.045 0.000 0.542 598 S C 2.666 177.265 174.600 -0.000 0.000 1.863 598 S CA 2.736 60.931 58.200 -0.007 0.000 4.239 598 S CB -2.072 61.119 63.200 -0.014 0.000 0.331 598 S HN 2.151 nan 8.310 nan 0.000 0.461 599 G N 0.731 109.528 108.800 -0.004 0.000 2.403 599 G HA2 0.385 4.372 3.960 0.045 0.000 0.216 599 G HA3 0.385 4.372 3.960 0.045 0.000 0.216 599 G C 1.110 176.010 174.900 -0.001 0.000 1.154 599 G CA 2.041 47.140 45.100 -0.002 0.000 0.784 599 G HN 2.034 nan 8.290 nan 0.000 0.538 600 Q N 0.856 120.653 119.800 -0.005 0.000 2.239 600 Q HA 0.437 4.804 4.340 0.045 0.000 0.286 600 Q C 0.576 176.576 176.000 0.001 0.000 1.102 600 Q CA 0.417 56.215 55.803 -0.007 0.000 0.936 600 Q CB -0.563 28.167 28.738 -0.014 0.000 1.127 600 Q HN 0.874 nan 8.270 nan 0.000 0.380 601 S N 3.398 119.099 115.700 0.001 0.000 2.409 601 S HA 0.619 5.116 4.470 0.045 0.000 0.308 601 S C -0.125 174.479 174.600 0.007 0.000 1.080 601 S CA -0.665 57.541 58.200 0.010 0.000 1.081 601 S CB -0.219 62.987 63.200 0.010 0.000 1.009 601 S HN 0.613 nan 8.310 nan 0.000 0.502 602 L N 3.304 124.535 121.223 0.014 0.000 2.439 602 L HA 0.520 4.888 4.340 0.045 0.000 0.259 602 L C -2.213 174.682 176.870 0.041 0.000 1.129 602 L CA -2.770 52.072 54.840 0.004 0.000 0.803 602 L CB 0.416 42.477 42.059 0.004 0.000 1.161 602 L HN 0.370 nan 8.230 nan 0.000 0.462 603 P HA 0.135 nan 4.420 nan 0.000 0.271 603 P C -0.805 176.619 177.300 0.206 0.000 1.226 603 P CA -0.045 63.144 63.100 0.148 0.000 0.765 603 P CB 0.588 32.431 31.700 0.238 0.000 0.835 604 L N 3.177 124.489 121.223 0.149 0.000 2.312 604 L HA 0.640 5.008 4.340 0.045 0.000 0.281 604 L C 0.571 177.524 176.870 0.138 0.000 1.070 604 L CA -0.214 54.700 54.840 0.123 0.000 0.805 604 L CB 0.838 42.935 42.059 0.063 0.000 1.174 604 L HN 0.451 nan 8.230 nan 0.000 0.434 605 G N 4.038 112.907 108.800 0.116 0.000 2.800 605 G HA2 0.238 4.225 3.960 0.045 0.000 0.340 605 G HA3 0.238 4.225 3.960 0.045 0.000 0.340 605 G C -0.949 174.057 174.900 0.177 0.000 1.089 605 G CA -0.329 44.831 45.100 0.099 0.000 1.144 605 G HN 0.393 nan 8.290 nan 0.000 0.461 606 F N 3.623 123.615 119.950 0.071 0.000 2.439 606 F HA 0.336 4.904 4.527 0.069 0.000 0.356 606 F C 0.695 176.580 175.800 0.143 0.000 1.161 606 F CA -1.036 57.035 58.000 0.119 0.000 1.151 606 F CB 0.532 39.602 39.000 0.116 0.000 1.222 606 F HN 0.175 nan 8.300 nan 0.000 0.558 607 T N 7.419 122.313 114.554 0.567 0.000 2.727 607 T HA 0.173 4.551 4.350 0.045 0.000 0.295 607 T C -0.674 174.299 174.700 0.456 0.000 0.915 607 T CA 0.041 62.351 62.100 0.349 0.000 1.066 607 T CB -0.227 68.760 68.868 0.199 0.000 0.891 607 T HN 0.376 nan 8.240 nan 0.000 0.516 608 F N 4.068 124.035 119.950 0.028 0.000 2.532 608 F HA 0.342 4.880 4.527 0.019 0.000 0.365 608 F C 0.593 176.363 175.800 -0.050 0.000 1.112 608 F CA -1.271 56.681 58.000 -0.080 0.000 1.082 608 F CB 0.903 39.593 39.000 -0.516 0.000 1.319 608 F HN 0.480 nan 8.300 nan 0.000 0.457 609 S N 4.672 120.096 115.700 -0.461 0.000 4.069 609 S HA 0.434 4.931 4.470 0.045 0.000 0.192 609 S C -0.675 173.225 174.600 -1.167 0.000 1.441 609 S CA -0.169 57.651 58.200 -0.634 0.000 0.994 609 S CB -1.177 61.700 63.200 -0.537 0.000 1.456 609 S HN 0.392 nan 8.310 nan 0.000 0.458 610 F N -0.202 119.450 119.950 -0.496 0.000 2.662 610 F HA 0.552 5.082 4.527 0.006 0.000 0.312 610 F C -2.838 172.872 175.800 -0.151 0.000 1.113 610 F CA -2.714 55.067 58.000 -0.364 0.000 0.951 610 F CB 1.099 39.742 39.000 -0.594 0.000 1.344 610 F HN -0.035 nan 8.300 nan 0.000 0.462 611 P HA 0.257 nan 4.420 nan 0.000 0.276 611 P C -1.143 176.202 177.300 0.075 0.000 1.253 611 P CA -0.138 63.008 63.100 0.076 0.000 0.766 611 P CB 0.358 32.101 31.700 0.072 0.000 0.845 612 C N 3.762 123.101 119.300 0.065 0.000 2.563 612 C HA 0.547 5.034 4.460 0.045 0.000 0.314 612 C C 0.283 175.283 174.990 0.017 0.000 1.199 612 C CA -0.562 58.478 59.018 0.037 0.000 1.564 612 C CB 1.571 29.340 27.740 0.047 0.000 2.173 612 C HN 0.462 nan 8.230 nan 0.000 0.485 613 R N 2.422 122.919 120.500 -0.005 0.000 2.210 613 R HA 0.368 4.735 4.340 0.045 0.000 0.338 613 R C -0.468 175.825 176.300 -0.011 0.000 1.062 613 R CA 0.531 56.632 56.100 0.002 0.000 0.902 613 R CB -0.056 30.238 30.300 -0.009 0.000 1.050 613 R HN 0.781 nan 8.270 nan 0.000 0.461 614 Q N 4.336 124.150 119.800 0.024 0.000 2.316 614 Q HA 0.301 4.668 4.340 0.045 0.000 0.264 614 Q C -0.295 175.672 176.000 -0.054 0.000 0.987 614 Q CA -0.817 54.974 55.803 -0.019 0.000 0.852 614 Q CB 2.043 30.800 28.738 0.032 0.000 1.287 614 Q HN 0.477 nan 8.270 nan 0.000 0.448 615 L N 1.020 122.065 121.223 -0.296 0.000 2.857 615 L HA 0.425 4.792 4.340 0.045 0.000 0.249 615 L C 0.375 176.479 176.870 -1.277 0.000 1.172 615 L CA 0.096 54.567 54.840 -0.616 0.000 0.980 615 L CB 1.121 43.015 42.059 -0.275 0.000 1.299 615 L HN 0.730 nan 8.230 nan 0.000 0.535 616 G N -2.049 106.155 108.800 -0.993 0.000 2.466 616 G HA2 0.312 4.299 3.960 0.045 0.000 0.291 616 G HA3 0.312 4.299 3.960 0.045 0.000 0.291 616 G C 0.063 174.800 174.900 -0.271 0.000 1.460 616 G CA -0.747 43.930 45.100 -0.705 0.000 0.791 616 G HN -0.124 nan 8.290 nan 0.000 0.505 617 L N 0.081 121.242 121.223 -0.102 0.000 2.141 617 L HA 0.025 4.392 4.340 0.045 0.000 0.209 617 L C 2.275 179.127 176.870 -0.029 0.000 1.094 617 L CA 1.708 56.540 54.840 -0.013 0.000 0.763 617 L CB -0.135 41.938 42.059 0.023 0.000 0.908 617 L HN 0.733 nan 8.230 nan 0.000 0.437 618 D N -0.308 120.060 120.400 -0.053 0.000 2.324 618 D HA -0.065 4.602 4.640 0.045 0.000 0.235 618 D C 0.417 176.682 176.300 -0.059 0.000 1.095 618 D CA -0.012 53.967 54.000 -0.036 0.000 0.871 618 D CB -0.031 40.750 40.800 -0.031 0.000 0.906 618 D HN 0.521 nan 8.370 nan 0.000 0.522 619 Q N -1.742 118.004 119.800 -0.091 0.000 2.418 619 Q HA 0.635 5.002 4.340 0.045 0.000 0.282 619 Q C -1.032 174.899 176.000 -0.115 0.000 1.044 619 Q CA -1.411 54.326 55.803 -0.109 0.000 0.813 619 Q CB 2.092 30.754 28.738 -0.127 0.000 1.428 619 Q HN 0.001 nan 8.270 nan 0.000 0.402 620 G N 1.921 110.641 108.800 -0.133 0.000 2.152 620 G HA2 0.453 4.440 3.960 0.045 0.000 0.290 620 G HA3 0.453 4.440 3.960 0.045 0.000 0.290 620 G C -1.483 173.320 174.900 -0.161 0.000 1.307 620 G CA -0.561 44.462 45.100 -0.130 0.000 1.289 620 G HN 0.408 nan 8.290 nan 0.000 0.612 621 I N 2.756 123.255 120.570 -0.119 0.000 2.322 621 I HA 0.201 4.398 4.170 0.045 0.000 0.292 621 I C 0.615 176.664 176.117 -0.114 0.000 1.060 621 I CA -0.681 60.543 61.300 -0.126 0.000 1.309 621 I CB 1.375 39.319 38.000 -0.094 0.000 1.415 621 I HN 0.476 nan 8.210 nan 0.000 0.492 622 L N 7.547 128.671 121.223 -0.164 0.000 2.628 622 L HA -0.014 4.354 4.340 0.045 0.000 0.274 622 L C 0.674 177.451 176.870 -0.155 0.000 1.209 622 L CA 0.969 55.712 54.840 -0.161 0.000 0.930 622 L CB 0.098 41.958 42.059 -0.331 0.000 1.183 622 L HN 0.625 nan 8.230 nan 0.000 0.492 623 L N 4.017 125.182 121.223 -0.098 0.000 2.145 623 L HA 0.185 4.552 4.340 0.045 0.000 0.201 623 L C 0.533 177.351 176.870 -0.086 0.000 1.075 623 L CA 0.420 55.219 54.840 -0.067 0.000 0.773 623 L CB -0.189 41.861 42.059 -0.016 0.000 0.936 623 L HN 0.684 nan 8.230 nan 0.000 0.451 624 N N -2.038 116.604 118.700 -0.096 0.000 2.331 624 N HA 0.178 4.945 4.740 0.045 0.000 0.280 624 N C -1.750 173.698 175.510 -0.103 0.000 1.155 624 N CA -0.530 52.480 53.050 -0.066 0.000 0.822 624 N CB 1.546 40.070 38.487 0.061 0.000 1.619 624 N HN -0.063 nan 8.380 nan 0.000 0.476 625 W N 0.895 122.214 121.300 0.031 0.000 2.215 625 W HA 0.373 5.081 4.660 0.081 0.000 0.342 625 W C 1.188 177.809 176.519 0.170 0.000 1.237 625 W CA 0.000 57.328 57.345 -0.029 0.000 1.283 625 W CB 0.917 30.360 29.460 -0.029 0.000 1.131 625 W HN 0.452 nan 8.180 nan 0.000 0.606 626 T N -1.736 113.214 114.554 0.660 0.000 2.696 626 T HA 0.590 4.967 4.350 0.045 0.000 0.291 626 T C 0.026 175.061 174.700 0.560 0.000 1.095 626 T CA -0.882 61.527 62.100 0.516 0.000 1.026 626 T CB 2.080 71.192 68.868 0.406 0.000 1.390 626 T HN 0.587 nan 8.240 nan 0.000 0.513 627 K N -0.425 120.239 120.400 0.439 0.000 1.751 627 K HA -0.222 4.125 4.320 0.045 0.000 0.134 627 K C 1.253 178.057 176.600 0.339 0.000 1.167 627 K CA 1.449 57.960 56.287 0.374 0.000 0.330 627 K CB -1.841 30.839 32.500 0.300 0.000 0.663 627 K HN 0.980 nan 8.250 nan 0.000 0.817 628 G N 0.301 109.302 108.800 0.335 0.000 3.337 628 G HA2 0.354 4.341 3.960 0.045 0.000 0.246 628 G HA3 0.354 4.341 3.960 0.045 0.000 0.246 628 G C -0.405 174.493 174.900 -0.004 0.000 1.131 628 G CA -0.268 44.910 45.100 0.130 0.000 0.773 628 G HN 0.118 nan 8.290 nan 0.000 0.544 629 F N 0.159 120.095 119.950 -0.024 0.000 2.399 629 F HA 0.602 5.165 4.527 0.060 0.000 0.334 629 F C 0.771 176.328 175.800 -0.406 0.000 1.097 629 F CA -0.428 57.354 58.000 -0.364 0.000 1.076 629 F CB 2.220 40.820 39.000 -0.667 0.000 1.162 629 F HN -0.049 nan 8.300 nan 0.000 0.495 630 K N 1.530 121.648 120.400 -0.470 0.000 2.788 630 K HA 0.673 5.020 4.320 0.045 0.000 0.190 630 K C -0.068 176.335 176.600 -0.329 0.000 1.143 630 K CA 0.166 56.279 56.287 -0.290 0.000 1.099 630 K CB -0.109 32.344 32.500 -0.078 0.000 0.767 630 K HN 0.867 nan 8.250 nan 0.000 0.466 631 A N 1.757 124.160 122.820 -0.695 0.000 2.546 631 A HA 0.462 4.809 4.320 0.045 0.000 0.243 631 A C 0.926 178.618 177.584 0.180 0.000 1.063 631 A CA 0.653 52.554 52.037 -0.227 0.000 0.757 631 A CB -0.390 18.475 19.000 -0.225 0.000 0.991 631 A HN 1.315 nan 8.150 nan 0.000 0.503 632 S N 2.090 117.871 115.700 0.134 0.000 2.603 632 S HA 0.380 4.877 4.470 0.045 0.000 0.268 632 S C 0.085 174.801 174.600 0.193 0.000 1.317 632 S CA 0.136 58.434 58.200 0.163 0.000 1.012 632 S CB 0.612 63.865 63.200 0.088 0.000 0.926 632 S HN 0.778 nan 8.310 nan 0.000 0.539 633 D N -0.150 120.341 120.400 0.152 0.000 2.837 633 D HA -0.148 4.519 4.640 0.045 0.000 0.230 633 D C 0.423 176.793 176.300 0.117 0.000 1.152 633 D CA 0.949 55.014 54.000 0.108 0.000 0.736 633 D CB -1.887 38.959 40.800 0.076 0.000 1.084 633 D HN 0.572 nan 8.370 nan 0.000 0.429 634 C N -0.195 119.217 119.300 0.187 0.000 2.628 634 C HA 0.055 4.543 4.460 0.045 0.000 0.393 634 C C 1.165 176.129 174.990 -0.045 0.000 1.328 634 C CA -0.247 58.861 59.018 0.150 0.000 2.079 634 C CB 0.245 28.275 27.740 0.482 0.000 2.663 634 C HN 0.232 nan 8.230 nan 0.000 0.557 635 E N 0.720 120.885 120.200 -0.058 0.000 2.414 635 E HA 0.360 4.737 4.350 0.045 0.000 0.263 635 E C 1.074 177.619 176.600 -0.092 0.000 1.000 635 E CA 0.945 57.251 56.400 -0.155 0.000 0.914 635 E CB 0.173 29.815 29.700 -0.097 0.000 0.948 635 E HN 0.614 nan 8.360 nan 0.000 0.444 636 G N 2.570 111.303 108.800 -0.112 0.000 2.176 636 G HA2 -0.250 3.737 3.960 0.045 0.000 0.253 636 G HA3 -0.250 3.737 3.960 0.045 0.000 0.253 636 G C 0.143 174.988 174.900 -0.093 0.000 0.979 636 G CA -0.187 44.864 45.100 -0.081 0.000 0.641 636 G HN 0.431 nan 8.290 nan 0.000 0.530 637 Q N 0.499 120.226 119.800 -0.123 0.000 2.235 637 Q HA 0.419 4.787 4.340 0.045 0.000 0.256 637 Q C -0.626 175.266 176.000 -0.179 0.000 0.951 637 Q CA -0.643 55.076 55.803 -0.139 0.000 0.890 637 Q CB 1.694 30.343 28.738 -0.150 0.000 1.279 637 Q HN 0.345 nan 8.270 nan 0.000 0.444 638 D N 0.868 121.166 120.400 -0.170 0.000 2.371 638 D HA 0.004 4.671 4.640 0.045 0.000 0.256 638 D C 1.195 177.340 176.300 -0.258 0.000 1.193 638 D CA -0.105 53.781 54.000 -0.191 0.000 0.881 638 D CB 0.995 41.707 40.800 -0.146 0.000 1.143 638 D HN 0.340 nan 8.370 nan 0.000 0.473 639 V N 2.516 122.224 119.914 -0.344 0.000 2.594 639 V HA -0.169 3.978 4.120 0.045 0.000 0.253 639 V C 1.940 177.875 176.094 -0.265 0.000 1.069 639 V CA 1.177 63.209 62.300 -0.447 0.000 1.082 639 V CB -0.743 30.570 31.823 -0.850 0.000 0.680 639 V HN 0.457 nan 8.190 nan 0.000 0.469 640 V N 0.951 120.759 119.914 -0.176 0.000 2.407 640 V HA -0.201 3.946 4.120 0.045 0.000 0.248 640 V C 2.853 178.895 176.094 -0.088 0.000 1.055 640 V CA 2.428 64.693 62.300 -0.058 0.000 1.049 640 V CB -0.722 31.075 31.823 -0.044 0.000 0.662 640 V HN 0.643 nan 8.190 nan 0.000 0.455 641 S N 0.009 115.625 115.700 -0.140 0.000 2.355 641 S HA -0.083 4.414 4.470 0.045 0.000 0.222 641 S C 1.925 176.402 174.600 -0.205 0.000 1.031 641 S CA 1.359 59.475 58.200 -0.140 0.000 0.993 641 S CB -0.365 62.754 63.200 -0.135 0.000 0.859 641 S HN 0.459 nan 8.310 nan 0.000 0.453 642 L N 0.731 121.745 121.223 -0.349 0.000 2.089 642 L HA -0.176 4.191 4.340 0.045 0.000 0.213 642 L C 2.379 178.909 176.870 -0.566 0.000 1.079 642 L CA 0.884 55.350 54.840 -0.623 0.000 0.758 642 L CB -0.524 40.841 42.059 -1.156 0.000 0.891 642 L HN 0.285 nan 8.230 nan 0.000 0.433 643 L N -0.381 120.669 121.223 -0.288 0.000 2.044 643 L HA -0.129 4.238 4.340 0.045 0.000 0.205 643 L C 2.716 179.587 176.870 0.002 0.000 1.075 643 L CA 1.524 56.373 54.840 0.015 0.000 0.747 643 L CB -0.541 41.620 42.059 0.169 0.000 0.903 643 L HN 0.053 nan 8.230 nan 0.000 0.435 644 R N -0.271 120.210 120.500 -0.032 0.000 2.097 644 R HA -0.230 4.137 4.340 0.045 0.000 0.236 644 R C 2.153 178.439 176.300 -0.023 0.000 1.135 644 R CA 2.239 58.327 56.100 -0.021 0.000 0.934 644 R CB -0.339 29.941 30.300 -0.033 0.000 0.846 644 R HN 0.495 nan 8.270 nan 0.000 0.431 645 E N -0.445 119.724 120.200 -0.051 0.000 2.130 645 E HA -0.237 4.141 4.350 0.045 0.000 0.196 645 E C 1.881 178.477 176.600 -0.007 0.000 0.998 645 E CA 1.411 57.788 56.400 -0.040 0.000 0.806 645 E CB -0.119 29.540 29.700 -0.069 0.000 0.738 645 E HN 0.423 nan 8.360 nan 0.000 0.459 646 A N 0.908 123.734 122.820 0.010 0.000 1.897 646 A HA -0.118 4.229 4.320 0.045 0.000 0.215 646 A C 2.169 179.785 177.584 0.053 0.000 1.181 646 A CA 0.805 52.882 52.037 0.066 0.000 0.620 646 A CB -0.443 18.652 19.000 0.158 0.000 0.821 646 A HN 0.129 nan 8.150 nan 0.000 0.443 647 I N 0.556 121.153 120.570 0.044 0.000 2.163 647 I HA -0.283 3.914 4.170 0.045 0.000 0.243 647 I C 2.925 179.055 176.117 0.021 0.000 1.085 647 I CA 2.024 63.344 61.300 0.033 0.000 1.347 647 I CB -0.522 37.494 38.000 0.027 0.000 1.044 647 I HN 0.579 nan 8.210 nan 0.000 0.408 648 T N -1.211 113.352 114.554 0.014 0.000 2.746 648 T HA -0.187 4.190 4.350 0.045 0.000 0.267 648 T C 2.027 176.735 174.700 0.013 0.000 1.039 648 T CA 0.879 62.985 62.100 0.009 0.000 1.142 648 T CB -0.410 68.460 68.868 0.002 0.000 0.866 648 T HN 0.282 nan 8.240 nan 0.000 0.444 649 R N 1.208 121.719 120.500 0.017 0.000 2.070 649 R HA -0.014 4.353 4.340 0.045 0.000 0.232 649 R C 3.222 179.536 176.300 0.023 0.000 1.138 649 R CA 1.953 58.066 56.100 0.021 0.000 0.936 649 R CB -0.582 29.735 30.300 0.030 0.000 0.839 649 R HN 0.513 nan 8.270 nan 0.000 0.429 650 R N 1.025 121.542 120.500 0.029 0.000 2.328 650 R HA -0.032 4.335 4.340 0.045 0.000 0.207 650 R C 1.284 177.595 176.300 0.018 0.000 1.056 650 R CA 1.703 57.818 56.100 0.025 0.000 1.016 650 R CB -1.628 28.689 30.300 0.028 0.000 0.872 650 R HN 0.560 nan 8.270 nan 0.000 0.471 651 Q N -2.258 117.552 119.800 0.017 0.000 2.463 651 Q HA 0.066 4.433 4.340 0.045 0.000 0.299 651 Q C 0.567 176.575 176.000 0.012 0.000 1.353 651 Q CA 1.567 57.378 55.803 0.013 0.000 0.828 651 Q CB -2.959 25.786 28.738 0.011 0.000 1.157 651 Q HN 2.230 nan 8.270 nan 0.000 0.436 652 A N -0.411 122.418 122.820 0.015 0.000 2.301 652 A HA 0.881 5.229 4.320 0.045 0.000 0.287 652 A C 0.766 178.358 177.584 0.014 0.000 1.274 652 A CA 0.143 52.188 52.037 0.015 0.000 0.865 652 A CB 0.885 19.896 19.000 0.018 0.000 1.324 652 A HN 1.553 nan 8.150 nan 0.000 0.508 653 V N 1.238 121.161 119.914 0.015 0.000 2.637 653 V HA 0.084 4.231 4.120 0.045 0.000 0.296 653 V C 0.833 176.936 176.094 0.015 0.000 1.046 653 V CA -0.123 62.185 62.300 0.013 0.000 1.066 653 V CB 0.518 32.350 31.823 0.014 0.000 0.968 653 V HN 0.932 nan 8.190 nan 0.000 0.483 654 E N 2.782 122.989 120.200 0.011 0.000 2.568 654 E HA 0.163 4.540 4.350 0.045 0.000 0.262 654 E C -0.046 176.564 176.600 0.015 0.000 0.961 654 E CA -0.347 56.060 56.400 0.011 0.000 0.945 654 E CB 0.717 30.422 29.700 0.007 0.000 0.924 654 E HN 0.751 nan 8.360 nan 0.000 0.467 655 L N 4.068 125.301 121.223 0.017 0.000 2.455 655 L HA 0.129 4.496 4.340 0.045 0.000 0.272 655 L C 0.456 177.340 176.870 0.023 0.000 1.174 655 L CA -0.047 54.807 54.840 0.024 0.000 0.869 655 L CB 0.142 42.217 42.059 0.027 0.000 1.130 655 L HN 0.777 nan 8.230 nan 0.000 0.474 656 N N 2.183 120.901 118.700 0.031 0.000 2.592 656 N HA 0.696 5.463 4.740 0.045 0.000 0.290 656 N C 0.377 175.911 175.510 0.041 0.000 1.364 656 N CA 0.563 53.632 53.050 0.030 0.000 0.878 656 N CB 0.452 38.957 38.487 0.030 0.000 1.104 656 N HN 0.977 nan 8.380 nan 0.000 0.485 657 V N 1.069 121.014 119.914 0.052 0.000 2.446 657 V HA 0.341 4.488 4.120 0.045 0.000 0.276 657 V C -0.009 176.136 176.094 0.084 0.000 1.030 657 V CA 0.025 62.363 62.300 0.063 0.000 1.033 657 V CB -0.162 31.707 31.823 0.076 0.000 0.993 657 V HN 0.254 nan 8.190 nan 0.000 0.477 658 V N 4.557 124.515 119.914 0.074 0.000 2.547 658 V HA 0.866 5.013 4.120 0.045 0.000 0.299 658 V C 0.508 176.655 176.094 0.089 0.000 1.040 658 V CA -0.291 62.069 62.300 0.099 0.000 0.913 658 V CB 1.410 33.298 31.823 0.108 0.000 0.992 658 V HN 1.302 nan 8.190 nan 0.000 0.449 659 A N 5.424 128.312 122.820 0.113 0.000 2.343 659 A HA 0.798 5.145 4.320 0.045 0.000 0.308 659 A C -0.952 176.699 177.584 0.113 0.000 1.092 659 A CA -0.514 51.572 52.037 0.082 0.000 0.751 659 A CB 0.888 19.921 19.000 0.055 0.000 1.203 659 A HN 0.581 nan 8.150 nan 0.000 0.452 660 I N 3.656 124.260 120.570 0.057 0.000 2.331 660 I HA 0.450 4.647 4.170 0.045 0.000 0.292 660 I C -0.094 176.049 176.117 0.043 0.000 0.998 660 I CA -0.276 61.042 61.300 0.031 0.000 1.267 660 I CB 0.996 38.958 38.000 -0.065 0.000 1.386 660 I HN 0.526 nan 8.210 nan 0.000 0.476 661 V N 4.184 124.141 119.914 0.072 0.000 2.760 661 V HA 0.539 4.686 4.120 0.045 0.000 0.309 661 V C -0.222 175.906 176.094 0.056 0.000 1.077 661 V CA -0.954 61.378 62.300 0.054 0.000 0.910 661 V CB 2.016 33.865 31.823 0.043 0.000 1.008 661 V HN 0.777 nan 8.190 nan 0.000 0.424 662 N N 2.587 121.297 118.700 0.017 0.000 2.503 662 N HA 0.044 4.811 4.740 0.045 0.000 0.267 662 N C 0.671 176.157 175.510 -0.041 0.000 1.214 662 N CA 0.285 53.321 53.050 -0.023 0.000 0.959 662 N CB 1.634 40.091 38.487 -0.050 0.000 1.142 662 N HN 0.998 nan 8.380 nan 0.000 0.455 663 D N 1.391 121.746 120.400 -0.076 0.000 2.149 663 D HA -0.221 4.446 4.640 0.045 0.000 0.198 663 D C 1.666 177.922 176.300 -0.074 0.000 0.990 663 D CA 2.094 56.053 54.000 -0.067 0.000 0.839 663 D CB -0.964 39.779 40.800 -0.094 0.000 0.948 663 D HN 0.714 nan 8.370 nan 0.000 0.460 664 T N -0.670 113.824 114.554 -0.101 0.000 2.652 664 T HA -0.170 4.207 4.350 0.045 0.000 0.267 664 T C 2.271 176.920 174.700 -0.085 0.000 1.039 664 T CA 1.819 63.851 62.100 -0.112 0.000 1.153 664 T CB -1.050 67.725 68.868 -0.156 0.000 0.863 664 T HN 0.095 nan 8.240 nan 0.000 0.428 665 V N 2.167 122.037 119.914 -0.073 0.000 2.343 665 V HA -0.015 4.132 4.120 0.045 0.000 0.247 665 V C 3.140 179.210 176.094 -0.039 0.000 1.051 665 V CA 1.831 64.098 62.300 -0.056 0.000 1.036 665 V CB -1.624 30.172 31.823 -0.044 0.000 0.654 665 V HN 0.714 nan 8.190 nan 0.000 0.451 666 G N -0.178 108.603 108.800 -0.031 0.000 2.446 666 G HA2 -0.260 3.727 3.960 0.045 0.000 0.217 666 G HA3 -0.260 3.727 3.960 0.045 0.000 0.217 666 G C 1.693 176.577 174.900 -0.027 0.000 1.168 666 G CA 1.663 46.750 45.100 -0.022 0.000 0.771 666 G HN 0.484 nan 8.290 nan 0.000 0.551 667 T N 0.963 115.496 114.554 -0.034 0.000 2.737 667 T HA -0.125 4.252 4.350 0.045 0.000 0.265 667 T C 2.260 176.946 174.700 -0.025 0.000 1.038 667 T CA 1.319 63.401 62.100 -0.030 0.000 1.144 667 T CB -0.263 68.578 68.868 -0.044 0.000 0.866 667 T HN 0.225 nan 8.240 nan 0.000 0.434 668 M N 0.567 120.146 119.600 -0.035 0.000 2.089 668 M HA -0.161 4.346 4.480 0.045 0.000 0.257 668 M C 2.015 178.309 176.300 -0.010 0.000 1.071 668 M CA 1.831 57.113 55.300 -0.029 0.000 1.096 668 M CB -0.260 32.316 32.600 -0.040 0.000 1.330 668 M HN 0.157 nan 8.290 nan 0.000 0.403 669 M N -0.551 119.043 119.600 -0.011 0.000 2.229 669 M HA -0.103 4.404 4.480 0.045 0.000 0.264 669 M C 2.153 178.470 176.300 0.028 0.000 1.063 669 M CA 1.283 56.585 55.300 0.004 0.000 1.114 669 M CB -1.191 31.402 32.600 -0.013 0.000 1.387 669 M HN 0.302 nan 8.290 nan 0.000 0.420 670 S N 0.318 116.025 115.700 0.012 0.000 2.355 670 S HA -0.117 4.380 4.470 0.045 0.000 0.222 670 S C 2.095 176.738 174.600 0.073 0.000 1.031 670 S CA 1.338 59.550 58.200 0.021 0.000 0.993 670 S CB -0.444 62.753 63.200 -0.004 0.000 0.859 670 S HN 0.535 nan 8.310 nan 0.000 0.453 671 C N 1.685 121.016 119.300 0.051 0.000 2.446 671 C HA 0.103 4.590 4.460 0.045 0.000 0.279 671 C C 2.806 177.834 174.990 0.063 0.000 1.366 671 C CA 0.151 59.204 59.018 0.058 0.000 1.763 671 C CB -1.769 25.990 27.740 0.031 0.000 1.929 671 C HN 0.723 nan 8.230 nan 0.000 0.509 672 G N -0.958 107.877 108.800 0.057 0.000 2.471 672 G HA2 -0.241 3.746 3.960 0.045 0.000 0.219 672 G HA3 -0.241 3.746 3.960 0.045 0.000 0.219 672 G C 1.275 176.222 174.900 0.078 0.000 1.125 672 G CA 0.534 45.662 45.100 0.047 0.000 0.775 672 G HN 0.569 nan 8.290 nan 0.000 0.548 673 Y N 1.794 122.089 120.300 -0.009 0.000 2.151 673 Y HA -0.070 4.507 4.550 0.045 0.000 0.284 673 Y C 2.350 178.251 175.900 0.002 0.000 1.166 673 Y CA 2.349 60.447 58.100 -0.003 0.000 1.163 673 Y CB -0.128 38.332 38.460 -0.000 0.000 0.974 673 Y HN 0.316 nan 8.280 nan 0.000 0.511 674 E N -0.280 119.897 120.200 -0.038 0.000 2.789 674 E HA 0.277 4.654 4.350 0.045 0.000 0.208 674 E C -0.741 175.831 176.600 -0.047 0.000 0.988 674 E CA 0.373 56.702 56.400 -0.119 0.000 1.092 674 E CB 0.021 29.692 29.700 -0.048 0.000 1.066 674 E HN 0.355 nan 8.360 nan 0.000 0.465 675 D N -0.306 120.077 120.400 -0.029 0.000 2.319 675 D HA 0.232 4.899 4.640 0.045 0.000 0.237 675 D C -2.411 173.876 176.300 -0.021 0.000 1.353 675 D CA -1.803 52.185 54.000 -0.019 0.000 0.992 675 D CB 2.087 42.886 40.800 -0.001 0.000 1.368 675 D HN -0.103 nan 8.370 nan 0.000 0.564 676 P HA -0.056 nan 4.420 nan 0.000 0.218 676 P C 1.109 178.396 177.300 -0.021 0.000 1.148 676 P CA 0.649 63.733 63.100 -0.026 0.000 0.822 676 P CB 0.337 32.020 31.700 -0.028 0.000 0.784 677 R N -1.484 119.003 120.500 -0.022 0.000 2.323 677 R HA 0.064 4.431 4.340 0.045 0.000 0.198 677 R C 0.327 176.608 176.300 -0.031 0.000 0.988 677 R CA 0.017 56.102 56.100 -0.025 0.000 1.041 677 R CB -1.400 28.884 30.300 -0.027 0.000 0.926 677 R HN 0.215 nan 8.270 nan 0.000 0.476 678 C N 2.154 121.438 119.300 -0.026 0.000 2.416 678 C HA 0.174 4.662 4.460 0.045 0.000 0.355 678 C C 0.869 175.844 174.990 -0.025 0.000 1.211 678 C CA -0.188 58.812 59.018 -0.030 0.000 1.699 678 C CB -0.693 27.037 27.740 -0.017 0.000 2.310 678 C HN 0.452 nan 8.230 nan 0.000 0.539 679 E N 4.370 124.553 120.200 -0.028 0.000 2.758 679 E HA 0.315 4.692 4.350 0.045 0.000 0.215 679 E C -0.660 175.945 176.600 0.008 0.000 0.985 679 E CA 0.135 56.530 56.400 -0.008 0.000 1.102 679 E CB 0.609 30.311 29.700 0.004 0.000 1.042 679 E HN 0.703 nan 8.360 nan 0.000 0.480 680 I N 0.394 120.952 120.570 -0.020 0.000 2.607 680 I HA 0.364 4.562 4.170 0.045 0.000 0.290 680 I C -0.122 175.964 176.117 -0.051 0.000 1.129 680 I CA -1.050 60.239 61.300 -0.017 0.000 1.042 680 I CB 2.270 40.248 38.000 -0.038 0.000 1.242 680 I HN -0.083 nan 8.210 nan 0.000 0.421 681 G N 5.597 114.359 108.800 -0.064 0.000 2.368 681 G HA2 0.653 4.640 3.960 0.045 0.000 0.320 681 G HA3 0.653 4.640 3.960 0.045 0.000 0.320 681 G C -1.555 173.268 174.900 -0.128 0.000 1.158 681 G CA -0.351 44.697 45.100 -0.087 0.000 0.912 681 G HN 0.365 nan 8.290 nan 0.000 0.456 682 L N 3.420 124.576 121.223 -0.112 0.000 2.362 682 L HA 0.684 5.051 4.340 0.045 0.000 0.275 682 L C -1.077 175.722 176.870 -0.117 0.000 0.998 682 L CA -0.993 53.774 54.840 -0.121 0.000 0.820 682 L CB 1.699 43.753 42.059 -0.009 0.000 1.270 682 L HN 0.305 nan 8.230 nan 0.000 0.415 683 I N 6.058 126.567 120.570 -0.102 0.000 2.465 683 I HA 0.465 4.662 4.170 0.045 0.000 0.291 683 I C -0.736 175.401 176.117 0.033 0.000 1.014 683 I CA -0.588 60.676 61.300 -0.059 0.000 1.093 683 I CB 1.928 39.883 38.000 -0.075 0.000 1.267 683 I HN 0.319 nan 8.210 nan 0.000 0.431 684 V N 5.876 125.805 119.914 0.026 0.000 2.558 684 V HA 0.620 4.768 4.120 0.045 0.000 0.261 684 V C 0.419 176.499 176.094 -0.024 0.000 0.958 684 V CA -0.251 62.077 62.300 0.046 0.000 0.852 684 V CB 0.903 32.768 31.823 0.070 0.000 1.067 684 V HN 0.989 nan 8.190 nan 0.000 0.468 685 G N 1.558 110.352 108.800 -0.010 0.000 3.359 685 G HA2 0.267 4.255 3.960 0.045 0.000 0.187 685 G HA3 0.267 4.255 3.960 0.045 0.000 0.187 685 G C 0.942 175.832 174.900 -0.017 0.000 1.294 685 G CA 0.804 45.892 45.100 -0.020 0.000 0.769 685 G HN 0.275 nan 8.290 nan 0.000 0.733 686 T N 0.663 115.208 114.554 -0.016 0.000 2.635 686 T HA 0.114 4.492 4.350 0.045 0.000 0.267 686 T C 1.209 175.902 174.700 -0.012 0.000 1.040 686 T CA 1.690 63.771 62.100 -0.032 0.000 1.156 686 T CB -0.523 68.335 68.868 -0.016 0.000 0.863 686 T HN 0.669 nan 8.240 nan 0.000 0.430 687 G N -0.768 108.049 108.800 0.029 0.000 2.788 687 G HA2 0.565 4.552 3.960 0.045 0.000 0.293 687 G HA3 0.565 4.552 3.960 0.045 0.000 0.293 687 G C -1.243 173.731 174.900 0.124 0.000 1.305 687 G CA -0.398 44.769 45.100 0.112 0.000 1.005 687 G HN 0.178 nan 8.290 nan 0.000 0.496 688 T N -0.640 114.046 114.554 0.220 0.000 2.900 688 T HA 0.639 5.016 4.350 0.045 0.000 0.295 688 T C -1.086 173.800 174.700 0.309 0.000 1.044 688 T CA -0.633 61.649 62.100 0.303 0.000 0.995 688 T CB 1.692 70.845 68.868 0.476 0.000 1.072 688 T HN 0.742 nan 8.240 nan 0.000 0.473 689 N N 1.044 119.752 118.700 0.013 0.000 3.127 689 N HA 0.698 5.465 4.740 0.045 0.000 0.239 689 N C -2.053 172.925 175.510 -0.887 0.000 1.407 689 N CA -0.135 52.607 53.050 -0.512 0.000 0.891 689 N CB 1.751 40.105 38.487 -0.221 0.000 1.447 689 N HN 0.958 nan 8.380 nan 0.000 0.507 690 A N 0.078 122.235 122.820 -1.105 0.000 2.572 690 A HA 0.777 5.124 4.320 0.045 0.000 0.295 690 A C -0.700 176.650 177.584 -0.390 0.000 1.072 690 A CA -0.407 51.142 52.037 -0.813 0.000 0.691 690 A CB 0.208 18.438 19.000 -1.284 0.000 1.291 690 A HN 1.281 nan 8.150 nan 0.000 0.404 691 C N -0.352 118.825 119.300 -0.204 0.000 2.994 691 C HA 1.057 5.545 4.460 0.045 0.000 0.304 691 C C -1.046 173.963 174.990 0.031 0.000 1.273 691 C CA -0.934 58.025 59.018 -0.099 0.000 1.537 691 C CB 0.606 28.264 27.740 -0.136 0.000 2.001 691 C HN 1.864 nan 8.230 nan 0.000 0.471 692 Y N -0.356 119.877 120.300 -0.111 0.000 2.641 692 Y HA 0.687 5.264 4.550 0.046 0.000 0.333 692 Y C -0.984 174.871 175.900 -0.075 0.000 1.174 692 Y CA -1.545 56.502 58.100 -0.089 0.000 1.057 692 Y CB 0.845 39.257 38.460 -0.080 0.000 1.322 692 Y HN 0.629 nan 8.280 nan 0.000 0.457 693 M N 3.232 122.848 119.600 0.027 0.000 2.341 693 M HA 0.221 4.728 4.480 0.045 0.000 0.336 693 M C -0.349 175.957 176.300 0.010 0.000 1.489 693 M CA 0.186 55.450 55.300 -0.060 0.000 1.278 693 M CB -0.200 32.394 32.600 -0.009 0.000 1.657 693 M HN 0.830 nan 8.290 nan 0.000 0.455 694 E N 2.845 122.930 120.200 -0.193 0.000 2.283 694 E HA 0.237 4.614 4.350 0.045 0.000 0.271 694 E C -0.562 176.013 176.600 -0.042 0.000 1.031 694 E CA -0.319 56.059 56.400 -0.038 0.000 0.868 694 E CB 0.941 30.534 29.700 -0.178 0.000 1.094 694 E HN 0.341 nan 8.360 nan 0.000 0.401 695 E N 3.144 123.346 120.200 0.003 0.000 2.360 695 E HA 0.001 4.378 4.350 0.045 0.000 0.269 695 E C 0.738 177.310 176.600 -0.047 0.000 1.022 695 E CA -0.141 56.247 56.400 -0.020 0.000 0.887 695 E CB 0.941 30.640 29.700 -0.002 0.000 0.990 695 E HN 0.567 nan 8.360 nan 0.000 0.426 696 L N 5.167 126.354 121.223 -0.061 0.000 2.079 696 L HA -0.213 4.155 4.340 0.045 0.000 0.210 696 L C 2.368 179.202 176.870 -0.060 0.000 1.081 696 L CA 1.893 56.685 54.840 -0.080 0.000 0.752 696 L CB -0.379 41.631 42.059 -0.081 0.000 0.896 696 L HN 0.532 nan 8.230 nan 0.000 0.433 697 R N -0.967 119.510 120.500 -0.039 0.000 2.159 697 R HA -0.172 4.195 4.340 0.045 0.000 0.237 697 R C 1.576 177.862 176.300 -0.024 0.000 1.131 697 R CA 2.109 58.193 56.100 -0.027 0.000 0.982 697 R CB -1.100 29.190 30.300 -0.018 0.000 0.868 697 R HN 0.510 nan 8.270 nan 0.000 0.453 698 N N 0.335 119.021 118.700 -0.023 0.000 2.424 698 N HA 0.041 4.808 4.740 0.045 0.000 0.178 698 N C -0.582 174.914 175.510 -0.024 0.000 1.060 698 N CA 0.147 53.189 53.050 -0.014 0.000 0.901 698 N CB 0.669 39.158 38.487 0.004 0.000 0.979 698 N HN -0.055 nan 8.380 nan 0.000 0.451 699 V N 1.827 121.713 119.914 -0.048 0.000 2.276 699 V HA 0.218 4.365 4.120 0.045 0.000 0.249 699 V C 1.111 177.176 176.094 -0.049 0.000 1.160 699 V CA -0.253 62.009 62.300 -0.063 0.000 1.042 699 V CB 0.107 31.861 31.823 -0.115 0.000 1.224 699 V HN 0.212 nan 8.190 nan 0.000 0.496 700 A N 3.992 126.795 122.820 -0.028 0.000 1.972 700 A HA -0.046 4.301 4.320 0.045 0.000 0.219 700 A C 2.293 179.870 177.584 -0.013 0.000 1.169 700 A CA 1.776 53.803 52.037 -0.017 0.000 0.635 700 A CB -0.527 18.469 19.000 -0.008 0.000 0.810 700 A HN 0.802 nan 8.150 nan 0.000 0.446 701 G N -0.939 107.852 108.800 -0.014 0.000 2.432 701 G HA2 0.141 4.128 3.960 0.045 0.000 0.219 701 G HA3 0.141 4.128 3.960 0.045 0.000 0.219 701 G C 0.679 175.585 174.900 0.010 0.000 1.135 701 G CA 1.083 46.183 45.100 0.001 0.000 0.767 701 G HN 0.325 nan 8.290 nan 0.000 0.550 702 V N 1.876 121.777 119.914 -0.021 0.000 2.713 702 V HA 0.407 4.554 4.120 0.045 0.000 0.307 702 V C -1.684 174.400 176.094 -0.017 0.000 1.052 702 V CA -1.545 60.743 62.300 -0.020 0.000 0.967 702 V CB 2.003 33.734 31.823 -0.154 0.000 1.019 702 V HN 0.136 nan 8.190 nan 0.000 0.459 703 P HA 0.619 nan 4.420 nan 0.000 0.281 703 P C -0.168 177.125 177.300 -0.013 0.000 1.264 703 P CA 0.138 63.241 63.100 0.006 0.000 0.824 703 P CB 1.299 33.016 31.700 0.028 0.000 1.092 704 G N 0.043 108.836 108.800 -0.012 0.000 2.629 704 G HA2 -0.066 3.922 3.960 0.045 0.000 0.686 704 G HA3 -0.066 3.922 3.960 0.045 0.000 0.686 704 G C -0.277 174.607 174.900 -0.026 0.000 1.232 704 G CA -0.076 45.014 45.100 -0.018 0.000 0.803 704 G HN 0.396 nan 8.290 nan 0.000 0.638 705 D N -0.362 120.025 120.400 -0.022 0.000 2.526 705 D HA 0.516 5.183 4.640 0.045 0.000 0.293 705 D C 1.819 178.104 176.300 -0.023 0.000 1.081 705 D CA 1.151 55.138 54.000 -0.022 0.000 0.924 705 D CB 0.031 40.822 40.800 -0.015 0.000 1.498 705 D HN 1.616 nan 8.370 nan 0.000 0.497 706 S N 0.123 115.811 115.700 -0.019 0.000 2.516 706 S HA 0.535 5.033 4.470 0.045 0.000 0.282 706 S C 0.987 175.571 174.600 -0.025 0.000 1.286 706 S CA 0.546 58.735 58.200 -0.018 0.000 1.066 706 S CB -0.320 62.872 63.200 -0.012 0.000 0.884 706 S HN 0.936 nan 8.310 nan 0.000 0.491 707 G N 1.891 110.675 108.800 -0.026 0.000 2.526 707 G HA2 0.173 4.160 3.960 0.045 0.000 0.250 707 G HA3 0.173 4.160 3.960 0.045 0.000 0.250 707 G C -0.503 174.371 174.900 -0.044 0.000 1.289 707 G CA -0.229 44.852 45.100 -0.032 0.000 0.947 707 G HN 1.613 nan 8.290 nan 0.000 0.517 708 R N -1.662 118.805 120.500 -0.055 0.000 2.817 708 R HA 0.878 5.245 4.340 0.045 0.000 0.268 708 R C -0.602 175.634 176.300 -0.106 0.000 1.027 708 R CA -1.114 54.942 56.100 -0.072 0.000 0.928 708 R CB 1.784 32.054 30.300 -0.051 0.000 1.228 708 R HN 1.162 nan 8.270 nan 0.000 0.469 709 M N 1.066 120.580 119.600 -0.143 0.000 2.413 709 M HA 0.298 4.805 4.480 0.045 0.000 0.287 709 M C -1.423 174.746 176.300 -0.219 0.000 1.186 709 M CA -0.737 54.451 55.300 -0.187 0.000 0.927 709 M CB 2.330 34.769 32.600 -0.267 0.000 1.715 709 M HN 0.896 nan 8.290 nan 0.000 0.478 710 C N 5.143 124.326 119.300 -0.194 0.000 2.653 710 C HA 0.494 4.981 4.460 0.045 0.000 0.421 710 C C -0.176 174.644 174.990 -0.282 0.000 1.334 710 C CA -0.133 58.749 59.018 -0.227 0.000 1.885 710 C CB -0.841 26.812 27.740 -0.145 0.000 2.645 710 C HN 0.757 nan 8.230 nan 0.000 0.601 711 I N 5.809 126.128 120.570 -0.418 0.000 2.436 711 I HA 0.241 4.438 4.170 0.045 0.000 0.289 711 I C -0.356 175.596 176.117 -0.274 0.000 1.010 711 I CA -0.273 60.804 61.300 -0.372 0.000 1.098 711 I CB 1.317 39.016 38.000 -0.502 0.000 1.266 711 I HN 0.685 nan 8.210 nan 0.000 0.434 712 N N 7.071 125.678 118.700 -0.156 0.000 2.402 712 N HA 0.215 4.982 4.740 0.045 0.000 0.252 712 N C 0.640 176.107 175.510 -0.073 0.000 1.118 712 N CA 0.067 53.050 53.050 -0.111 0.000 0.945 712 N CB 0.878 39.321 38.487 -0.073 0.000 1.147 712 N HN 0.587 nan 8.380 nan 0.000 0.495 713 M N 1.278 120.842 119.600 -0.061 0.000 2.213 713 M HA -0.042 4.465 4.480 0.045 0.000 0.263 713 M C -0.014 176.314 176.300 0.047 0.000 1.062 713 M CA 0.880 56.190 55.300 0.018 0.000 1.105 713 M CB -0.146 32.491 32.600 0.062 0.000 1.385 713 M HN 0.431 nan 8.290 nan 0.000 0.417 714 E N 0.210 120.416 120.200 0.010 0.000 2.230 714 E HA -0.218 4.159 4.350 0.045 0.000 0.206 714 E C -0.012 176.723 176.600 0.224 0.000 1.309 714 E CA 0.733 57.180 56.400 0.078 0.000 0.697 714 E CB -1.484 28.264 29.700 0.081 0.000 1.146 714 E HN 0.802 nan 8.360 nan 0.000 0.363 715 W N -0.576 120.784 121.300 0.100 0.000 2.937 715 W HA 0.317 5.003 4.660 0.043 0.000 0.245 715 W C 1.465 178.165 176.519 0.301 0.000 1.306 715 W CA 0.399 57.813 57.345 0.116 0.000 1.470 715 W CB -1.057 28.403 29.460 0.001 0.000 1.132 715 W HN 0.146 nan 8.180 nan 0.000 0.675 716 G N 1.587 110.825 108.800 0.729 0.000 2.442 716 G HA2 -0.176 3.811 3.960 0.045 0.000 0.219 716 G HA3 -0.176 3.811 3.960 0.045 0.000 0.219 716 G C 1.625 176.789 174.900 0.441 0.000 1.141 716 G CA 1.695 47.146 45.100 0.585 0.000 0.763 716 G HN 0.466 nan 8.290 nan 0.000 0.554 717 A N -0.263 122.764 122.820 0.346 0.000 2.276 717 A HA 0.460 4.807 4.320 0.045 0.000 0.212 717 A C 0.591 178.329 177.584 0.257 0.000 1.230 717 A CA -0.679 51.507 52.037 0.248 0.000 0.844 717 A CB -0.454 18.657 19.000 0.185 0.000 0.860 717 A HN 0.259 nan 8.150 nan 0.000 0.486 718 F N 1.043 121.067 119.950 0.123 0.000 2.607 718 F HA 0.383 4.932 4.527 0.035 0.000 0.374 718 F C 1.348 177.149 175.800 0.003 0.000 1.104 718 F CA 0.783 58.760 58.000 -0.038 0.000 1.296 718 F CB 0.122 38.892 39.000 -0.383 0.000 1.085 718 F HN 0.391 nan 8.300 nan 0.000 0.584 719 G N 4.204 112.738 108.800 -0.445 0.000 2.179 719 G HA2 -0.352 3.636 3.960 0.045 0.000 0.260 719 G HA3 -0.352 3.636 3.960 0.045 0.000 0.260 719 G C 0.865 175.669 174.900 -0.161 0.000 0.977 719 G CA 0.469 45.305 45.100 -0.440 0.000 0.641 719 G HN 0.636 nan 8.290 nan 0.000 0.533 720 D N 1.220 121.589 120.400 -0.052 0.000 2.263 720 D HA 0.021 4.688 4.640 0.045 0.000 0.208 720 D C 2.044 178.331 176.300 -0.021 0.000 0.971 720 D CA 1.421 55.414 54.000 -0.011 0.000 0.867 720 D CB -0.217 40.606 40.800 0.038 0.000 0.929 720 D HN 0.677 nan 8.370 nan 0.000 0.492 721 D N -0.960 119.421 120.400 -0.031 0.000 2.378 721 D HA 0.056 4.723 4.640 0.045 0.000 0.227 721 D C 1.510 177.781 176.300 -0.048 0.000 1.012 721 D CA 0.795 54.778 54.000 -0.027 0.000 0.905 721 D CB -0.456 40.336 40.800 -0.014 0.000 0.895 721 D HN 0.184 nan 8.370 nan 0.000 0.532 722 G N 0.139 108.894 108.800 -0.074 0.000 2.141 722 G HA2 -0.340 3.648 3.960 0.045 0.000 0.242 722 G HA3 -0.340 3.648 3.960 0.045 0.000 0.242 722 G C 1.061 175.899 174.900 -0.103 0.000 0.982 722 G CA 0.717 45.768 45.100 -0.082 0.000 0.662 722 G HN 0.636 nan 8.290 nan 0.000 0.527 723 S N -0.763 114.854 115.700 -0.138 0.000 2.522 723 S HA 0.265 4.762 4.470 0.045 0.000 0.227 723 S C 1.545 176.027 174.600 -0.198 0.000 0.986 723 S CA 0.902 59.012 58.200 -0.150 0.000 0.929 723 S CB -0.014 63.098 63.200 -0.146 0.000 0.769 723 S HN 0.547 nan 8.310 nan 0.000 0.529 724 L N 1.004 122.084 121.223 -0.238 0.000 2.984 724 L HA 0.473 4.840 4.340 0.045 0.000 0.246 724 L C 1.987 178.774 176.870 -0.139 0.000 1.268 724 L CA 0.082 54.793 54.840 -0.215 0.000 1.054 724 L CB -0.232 41.658 42.059 -0.282 0.000 1.393 724 L HN 0.335 nan 8.230 nan 0.000 0.532 725 A N 0.417 123.167 122.820 -0.115 0.000 1.972 725 A HA -0.217 4.130 4.320 0.045 0.000 0.219 725 A C 2.744 180.274 177.584 -0.090 0.000 1.169 725 A CA 2.145 54.125 52.037 -0.094 0.000 0.635 725 A CB -0.310 18.643 19.000 -0.078 0.000 0.810 725 A HN 0.404 nan 8.150 nan 0.000 0.446 726 M N -0.449 119.100 119.600 -0.085 0.000 2.108 726 M HA -0.064 4.444 4.480 0.045 0.000 0.257 726 M C 2.337 178.585 176.300 -0.087 0.000 1.071 726 M CA 2.422 57.677 55.300 -0.075 0.000 1.093 726 M CB -1.703 30.858 32.600 -0.065 0.000 1.345 726 M HN 0.471 nan 8.290 nan 0.000 0.403 727 L N -0.516 120.648 121.223 -0.098 0.000 2.168 727 L HA 0.041 4.408 4.340 0.045 0.000 0.203 727 L C 1.375 178.154 176.870 -0.152 0.000 1.078 727 L CA 0.003 54.773 54.840 -0.117 0.000 0.780 727 L CB -0.645 41.358 42.059 -0.094 0.000 0.939 727 L HN 0.450 nan 8.230 nan 0.000 0.451 728 S N 1.190 116.811 115.700 -0.131 0.000 2.673 728 S HA 0.026 4.523 4.470 0.045 0.000 0.308 728 S C 0.601 175.109 174.600 -0.154 0.000 1.246 728 S CA 0.007 58.127 58.200 -0.133 0.000 1.077 728 S CB 0.175 63.309 63.200 -0.109 0.000 0.814 728 S HN 0.422 nan 8.310 nan 0.000 0.503 729 T N 0.797 115.248 114.554 -0.172 0.000 2.824 729 T HA 0.320 4.697 4.350 0.045 0.000 0.277 729 T C 1.404 175.987 174.700 -0.197 0.000 0.975 729 T CA -0.969 61.029 62.100 -0.169 0.000 0.966 729 T CB 0.633 69.457 68.868 -0.074 0.000 1.054 729 T HN 0.677 nan 8.240 nan 0.000 0.533 730 R N -0.312 119.961 120.500 -0.378 0.000 2.152 730 R HA -0.035 4.332 4.340 0.045 0.000 0.232 730 R C 1.576 177.614 176.300 -0.436 0.000 1.117 730 R CA 1.449 57.264 56.100 -0.474 0.000 0.981 730 R CB -0.868 29.029 30.300 -0.673 0.000 0.870 730 R HN 0.572 nan 8.270 nan 0.000 0.451 731 F N 2.084 122.026 119.950 -0.014 0.000 2.206 731 F HA -0.007 4.546 4.527 0.044 0.000 0.298 731 F C 2.037 177.823 175.800 -0.024 0.000 1.090 731 F CA 0.837 58.846 58.000 0.016 0.000 1.323 731 F CB -0.455 38.674 39.000 0.215 0.000 1.028 731 F HN -0.060 nan 8.300 nan 0.000 0.492 732 D N 0.609 121.105 120.400 0.159 0.000 2.117 732 D HA -0.167 4.500 4.640 0.045 0.000 0.197 732 D C 2.393 178.671 176.300 -0.037 0.000 0.987 732 D CA 1.544 55.577 54.000 0.054 0.000 0.829 732 D CB -0.509 40.288 40.800 -0.005 0.000 0.961 732 D HN 0.267 nan 8.370 nan 0.000 0.460 733 A N 1.178 123.947 122.820 -0.084 0.000 1.858 733 A HA -0.190 4.157 4.320 0.045 0.000 0.216 733 A C 2.573 180.084 177.584 -0.122 0.000 1.190 733 A CA 2.961 54.935 52.037 -0.104 0.000 0.617 733 A CB -1.099 17.826 19.000 -0.124 0.000 0.827 733 A HN 0.315 nan 8.150 nan 0.000 0.443 734 S N -0.425 115.159 115.700 -0.193 0.000 2.365 734 S HA -0.095 4.403 4.470 0.045 0.000 0.225 734 S C 2.031 176.470 174.600 -0.267 0.000 1.039 734 S CA 2.068 60.086 58.200 -0.304 0.000 1.033 734 S CB -0.927 61.917 63.200 -0.594 0.000 0.887 734 S HN 0.332 nan 8.310 nan 0.000 0.447 735 V N 1.905 121.691 119.914 -0.212 0.000 2.261 735 V HA -0.220 3.927 4.120 0.045 0.000 0.246 735 V C 2.373 178.483 176.094 0.026 0.000 1.047 735 V CA 2.270 64.590 62.300 0.033 0.000 1.015 735 V CB -0.796 31.104 31.823 0.128 0.000 0.642 735 V HN 0.703 nan 8.190 nan 0.000 0.446 736 D N 0.068 120.446 120.400 -0.037 0.000 2.092 736 D HA -0.212 4.455 4.640 0.045 0.000 0.193 736 D C 2.345 178.637 176.300 -0.013 0.000 0.994 736 D CA 2.166 56.135 54.000 -0.052 0.000 0.828 736 D CB -0.171 40.588 40.800 -0.068 0.000 0.963 736 D HN 0.428 nan 8.370 nan 0.000 0.450 737 Q N -0.053 119.735 119.800 -0.019 0.000 2.181 737 Q HA 0.042 4.409 4.340 0.045 0.000 0.205 737 Q C 2.198 178.214 176.000 0.026 0.000 0.980 737 Q CA 2.063 57.865 55.803 -0.002 0.000 0.862 737 Q CB -1.121 27.606 28.738 -0.017 0.000 0.905 737 Q HN 0.470 nan 8.270 nan 0.000 0.429 738 A N 0.867 123.715 122.820 0.046 0.000 2.238 738 A HA 0.367 4.714 4.320 0.045 0.000 0.208 738 A C 1.511 179.154 177.584 0.100 0.000 1.177 738 A CA 0.729 52.816 52.037 0.084 0.000 0.804 738 A CB -0.291 18.792 19.000 0.138 0.000 0.823 738 A HN 0.757 nan 8.150 nan 0.000 0.482 739 S N -1.294 114.463 115.700 0.095 0.000 2.693 739 S HA 0.544 5.041 4.470 0.045 0.000 0.276 739 S C 1.073 175.736 174.600 0.105 0.000 1.192 739 S CA -0.524 57.755 58.200 0.130 0.000 0.994 739 S CB 0.611 63.897 63.200 0.144 0.000 1.012 739 S HN 0.185 nan 8.310 nan 0.000 0.550 740 I N 1.028 121.673 120.570 0.126 0.000 2.194 740 I HA -0.197 4.000 4.170 0.045 0.000 0.246 740 I C 0.590 176.771 176.117 0.106 0.000 1.093 740 I CA 1.291 62.654 61.300 0.105 0.000 1.355 740 I CB -0.477 37.596 38.000 0.121 0.000 1.046 740 I HN 0.764 nan 8.210 nan 0.000 0.413 741 N N 0.478 119.252 118.700 0.122 0.000 2.918 741 N HA 0.283 5.050 4.740 0.045 0.000 0.270 741 N C -2.841 172.710 175.510 0.069 0.000 1.536 741 N CA -2.124 50.992 53.050 0.109 0.000 0.877 741 N CB 0.144 38.720 38.487 0.149 0.000 1.190 741 N HN -0.056 nan 8.380 nan 0.000 0.492 742 P HA 0.188 nan 4.420 nan 0.000 0.268 742 P C 1.158 178.470 177.300 0.019 0.000 1.204 742 P CA 0.871 63.985 63.100 0.024 0.000 0.768 742 P CB 0.690 32.404 31.700 0.023 0.000 0.842 743 G N 1.190 109.990 108.800 -0.000 0.000 2.267 743 G HA2 -0.250 3.737 3.960 0.045 0.000 0.257 743 G HA3 -0.250 3.737 3.960 0.045 0.000 0.257 743 G C 0.234 175.141 174.900 0.011 0.000 0.998 743 G CA 0.236 45.336 45.100 -0.000 0.000 0.620 743 G HN 0.524 nan 8.290 nan 0.000 0.529 744 K N 0.654 121.071 120.400 0.028 0.000 2.098 744 K HA 0.661 5.008 4.320 0.045 0.000 0.261 744 K C 0.972 177.600 176.600 0.047 0.000 0.987 744 K CA -0.452 55.868 56.287 0.055 0.000 0.916 744 K CB 0.577 33.130 32.500 0.088 0.000 1.039 744 K HN 0.229 nan 8.250 nan 0.000 0.455 745 Q N 1.182 121.037 119.800 0.091 0.000 2.435 745 Q HA -0.309 4.058 4.340 0.045 0.000 0.312 745 Q C 0.339 176.368 176.000 0.048 0.000 1.333 745 Q CA 0.643 56.516 55.803 0.116 0.000 0.883 745 Q CB -1.406 27.418 28.738 0.143 0.000 1.170 745 Q HN 0.611 nan 8.270 nan 0.000 0.443 746 R N -0.592 119.936 120.500 0.048 0.000 2.073 746 R HA -0.108 4.259 4.340 0.045 0.000 0.234 746 R C 1.948 178.278 176.300 0.049 0.000 1.134 746 R CA 1.566 57.666 56.100 -0.000 0.000 0.952 746 R CB -0.311 29.979 30.300 -0.016 0.000 0.850 746 R HN 0.304 nan 8.270 nan 0.000 0.433 747 F N 2.148 122.088 119.950 -0.016 0.000 2.171 747 F HA -0.180 4.370 4.527 0.039 0.000 0.300 747 F C 2.342 178.181 175.800 0.065 0.000 1.090 747 F CA 1.617 59.627 58.000 0.016 0.000 1.293 747 F CB -0.158 38.911 39.000 0.115 0.000 1.013 747 F HN 0.021 nan 8.300 nan 0.000 0.486 748 E N 0.220 120.512 120.200 0.154 0.000 2.110 748 E HA -0.236 4.141 4.350 0.045 0.000 0.193 748 E C 1.879 178.524 176.600 0.076 0.000 0.988 748 E CA 1.268 57.758 56.400 0.149 0.000 0.804 748 E CB -0.103 29.759 29.700 0.271 0.000 0.745 748 E HN 0.392 nan 8.360 nan 0.000 0.458 749 K N -0.451 119.882 120.400 -0.111 0.000 2.504 749 K HA 0.004 4.351 4.320 0.045 0.000 0.195 749 K C 1.405 177.990 176.600 -0.026 0.000 1.036 749 K CA 0.631 56.762 56.287 -0.260 0.000 0.984 749 K CB 0.157 32.357 32.500 -0.500 0.000 0.788 749 K HN 0.262 nan 8.250 nan 0.000 0.488 750 M N -0.472 119.092 119.600 -0.060 0.000 2.333 750 M HA 0.183 4.690 4.480 0.045 0.000 0.257 750 M C 1.121 177.403 176.300 -0.030 0.000 1.078 750 M CA 0.466 55.741 55.300 -0.042 0.000 1.005 750 M CB 0.583 33.101 32.600 -0.137 0.000 1.444 750 M HN 0.081 nan 8.290 nan 0.000 0.496 751 I N -1.910 118.655 120.570 -0.008 0.000 4.193 751 I HA 0.072 4.269 4.170 0.045 0.000 0.287 751 I C 1.061 177.253 176.117 0.126 0.000 1.175 751 I CA -0.010 61.319 61.300 0.047 0.000 1.320 751 I CB 0.507 38.464 38.000 -0.072 0.000 1.523 751 I HN 0.080 nan 8.210 nan 0.000 0.450 752 S N 0.960 116.755 115.700 0.158 0.000 2.617 752 S HA 0.308 4.805 4.470 0.045 0.000 0.269 752 S C 1.261 175.908 174.600 0.080 0.000 1.292 752 S CA 0.104 58.376 58.200 0.120 0.000 1.010 752 S CB 1.413 64.718 63.200 0.175 0.000 0.944 752 S HN 0.335 nan 8.310 nan 0.000 0.536 753 G N 0.855 109.654 108.800 -0.002 0.000 2.450 753 G HA2 -0.234 3.754 3.960 0.045 0.000 0.220 753 G HA3 -0.234 3.754 3.960 0.045 0.000 0.220 753 G C 1.236 176.113 174.900 -0.038 0.000 1.130 753 G CA 0.968 46.062 45.100 -0.010 0.000 0.760 753 G HN 0.770 nan 8.290 nan 0.000 0.557 754 M N -1.063 118.440 119.600 -0.163 0.000 2.213 754 M HA -0.022 4.486 4.480 0.045 0.000 0.263 754 M C 1.790 177.865 176.300 -0.374 0.000 1.062 754 M CA 1.419 56.490 55.300 -0.380 0.000 1.105 754 M CB 0.074 32.221 32.600 -0.754 0.000 1.385 754 M HN 0.370 nan 8.290 nan 0.000 0.417 755 Y N -1.262 119.095 120.300 0.095 0.000 2.535 755 Y HA 0.182 4.755 4.550 0.039 0.000 0.264 755 Y C 1.783 177.761 175.900 0.131 0.000 1.087 755 Y CA -0.005 58.161 58.100 0.112 0.000 1.285 755 Y CB -0.355 38.168 38.460 0.105 0.000 1.200 755 Y HN 0.039 nan 8.280 nan 0.000 0.514 756 L N -0.321 121.053 121.223 0.251 0.000 1.989 756 L HA -0.202 4.165 4.340 0.045 0.000 0.211 756 L C 2.607 179.606 176.870 0.215 0.000 1.071 756 L CA 1.771 56.737 54.840 0.211 0.000 0.749 756 L CB -1.178 40.975 42.059 0.157 0.000 0.890 756 L HN 0.395 nan 8.230 nan 0.000 0.431 757 G N -0.592 108.341 108.800 0.222 0.000 2.507 757 G HA2 -0.259 3.728 3.960 0.045 0.000 0.221 757 G HA3 -0.259 3.728 3.960 0.045 0.000 0.221 757 G C 1.492 176.580 174.900 0.313 0.000 1.119 757 G CA 0.618 45.898 45.100 0.300 0.000 0.751 757 G HN 0.337 nan 8.290 nan 0.000 0.574 758 E N 0.281 120.626 120.200 0.243 0.000 2.112 758 E HA 0.004 4.381 4.350 0.045 0.000 0.190 758 E C 2.702 179.492 176.600 0.318 0.000 0.979 758 E CA 0.238 56.777 56.400 0.231 0.000 0.814 758 E CB -0.156 29.705 29.700 0.268 0.000 0.762 758 E HN 0.532 nan 8.360 nan 0.000 0.460 759 I N 0.891 121.649 120.570 0.314 0.000 2.194 759 I HA -0.272 3.925 4.170 0.045 0.000 0.246 759 I C 2.454 178.659 176.117 0.147 0.000 1.093 759 I CA 0.904 62.384 61.300 0.299 0.000 1.355 759 I CB -0.513 37.655 38.000 0.280 0.000 1.046 759 I HN -0.062 nan 8.210 nan 0.000 0.413 760 V N 0.821 120.800 119.914 0.107 0.000 2.261 760 V HA -0.306 3.841 4.120 0.045 0.000 0.246 760 V C 2.682 178.845 176.094 0.115 0.000 1.047 760 V CA 2.114 64.425 62.300 0.018 0.000 1.015 760 V CB -0.789 31.044 31.823 0.018 0.000 0.642 760 V HN 0.407 nan 8.190 nan 0.000 0.446 761 R N -0.991 119.671 120.500 0.270 0.000 2.096 761 R HA -0.207 4.160 4.340 0.045 0.000 0.240 761 R C 2.440 178.769 176.300 0.047 0.000 1.139 761 R CA 1.943 58.161 56.100 0.196 0.000 0.952 761 R CB -0.360 29.914 30.300 -0.044 0.000 0.854 761 R HN 0.620 nan 8.270 nan 0.000 0.436 762 H N -0.014 119.143 119.070 0.145 0.000 2.387 762 H HA -0.104 4.479 4.556 0.045 0.000 0.299 762 H C 2.263 177.683 175.328 0.153 0.000 1.090 762 H CA 1.757 57.932 56.048 0.211 0.000 1.332 762 H CB -0.144 29.823 29.762 0.342 0.000 1.386 762 H HN 0.274 nan 8.280 nan 0.000 0.516 763 I N 0.777 121.275 120.570 -0.119 0.000 2.127 763 I HA -0.295 3.902 4.170 0.045 0.000 0.241 763 I C 2.525 178.618 176.117 -0.040 0.000 1.075 763 I CA 1.027 62.016 61.300 -0.518 0.000 1.334 763 I CB -0.320 37.242 38.000 -0.730 0.000 1.040 763 I HN 0.112 nan 8.210 nan 0.000 0.405 764 L N 0.046 121.290 121.223 0.036 0.000 2.042 764 L HA -0.253 4.114 4.340 0.045 0.000 0.210 764 L C 2.573 179.560 176.870 0.195 0.000 1.076 764 L CA 1.415 56.345 54.840 0.149 0.000 0.749 764 L CB -0.660 41.543 42.059 0.240 0.000 0.893 764 L HN 0.290 nan 8.230 nan 0.000 0.432 765 L N -0.963 120.368 121.223 0.181 0.000 2.012 765 L HA -0.276 4.092 4.340 0.045 0.000 0.210 765 L C 2.727 179.737 176.870 0.233 0.000 1.073 765 L CA 1.448 56.394 54.840 0.177 0.000 0.748 765 L CB -0.684 41.476 42.059 0.168 0.000 0.891 765 L HN 0.304 nan 8.230 nan 0.000 0.431 766 H N 0.105 119.317 119.070 0.236 0.000 2.321 766 H HA -0.166 4.418 4.556 0.046 0.000 0.300 766 H C 2.162 177.602 175.328 0.187 0.000 1.087 766 H CA 1.737 57.944 56.048 0.265 0.000 1.319 766 H CB -0.105 29.954 29.762 0.494 0.000 1.379 766 H HN 0.141 nan 8.280 nan 0.000 0.501 767 L N -0.090 121.202 121.223 0.115 0.000 2.042 767 L HA -0.199 4.168 4.340 0.045 0.000 0.210 767 L C 2.798 179.684 176.870 0.026 0.000 1.076 767 L CA 1.883 56.738 54.840 0.024 0.000 0.749 767 L CB -0.798 41.298 42.059 0.061 0.000 0.893 767 L HN 0.564 nan 8.230 nan 0.000 0.432 768 T N -3.192 111.429 114.554 0.110 0.000 2.746 768 T HA -0.201 4.177 4.350 0.045 0.000 0.267 768 T C 2.028 176.763 174.700 0.059 0.000 1.039 768 T CA 1.436 63.620 62.100 0.140 0.000 1.142 768 T CB -0.714 68.268 68.868 0.190 0.000 0.866 768 T HN 0.460 nan 8.240 nan 0.000 0.444 769 S N 1.873 117.588 115.700 0.025 0.000 2.419 769 S HA 0.078 4.575 4.470 0.045 0.000 0.233 769 S C 2.023 176.596 174.600 -0.045 0.000 1.016 769 S CA 0.691 58.891 58.200 -0.001 0.000 0.974 769 S CB -0.930 62.280 63.200 0.017 0.000 0.786 769 S HN 0.531 nan 8.310 nan 0.000 0.492 770 L N 0.889 122.047 121.223 -0.109 0.000 2.478 770 L HA 0.230 4.597 4.340 0.045 0.000 0.223 770 L C 2.085 178.934 176.870 -0.037 0.000 1.140 770 L CA 0.555 55.334 54.840 -0.102 0.000 0.842 770 L CB -0.669 41.289 42.059 -0.169 0.000 0.953 770 L HN 0.648 nan 8.230 nan 0.000 0.452 771 G N -1.001 107.792 108.800 -0.012 0.000 2.175 771 G HA2 -0.282 3.705 3.960 0.045 0.000 0.244 771 G HA3 -0.282 3.705 3.960 0.045 0.000 0.244 771 G C 0.776 175.679 174.900 0.005 0.000 0.982 771 G CA 0.383 45.488 45.100 0.008 0.000 0.641 771 G HN 0.105 nan 8.290 nan 0.000 0.527 772 V N -0.250 119.660 119.914 -0.006 0.000 2.270 772 V HA 0.189 4.336 4.120 0.045 0.000 0.245 772 V C 1.550 177.621 176.094 -0.038 0.000 1.043 772 V CA 1.977 64.266 62.300 -0.019 0.000 1.014 772 V CB -0.279 31.532 31.823 -0.020 0.000 0.645 772 V HN 0.388 nan 8.190 nan 0.000 0.447 773 L N -1.085 120.126 121.223 -0.021 0.000 2.334 773 L HA 0.567 4.934 4.340 0.045 0.000 0.275 773 L C -0.512 176.387 176.870 0.048 0.000 1.036 773 L CA -0.491 54.284 54.840 -0.109 0.000 0.807 773 L CB 0.710 42.703 42.059 -0.110 0.000 1.231 773 L HN 0.288 nan 8.230 nan 0.000 0.438 780 Q N 1.699 121.419 119.800 -0.133 0.000 2.135 780 Q HA -0.235 4.133 4.340 0.045 0.000 0.204 780 Q C 2.196 178.120 176.000 -0.128 0.000 0.981 780 Q CA 2.499 58.238 55.803 -0.107 0.000 0.856 780 Q CB -0.463 28.227 28.738 -0.080 0.000 0.902 780 Q HN 1.292 nan 8.270 nan 0.000 0.425 781 R N -0.150 120.263 120.500 -0.146 0.000 2.139 781 R HA -0.083 4.284 4.340 0.045 0.000 0.243 781 R C 1.943 178.120 176.300 -0.206 0.000 1.145 781 R CA 1.594 57.596 56.100 -0.163 0.000 0.976 781 R CB -0.878 29.327 30.300 -0.158 0.000 0.866 781 R HN 0.519 nan 8.270 nan 0.000 0.449 782 L N 0.258 121.352 121.223 -0.215 0.000 2.275 782 L HA -0.049 4.318 4.340 0.045 0.000 0.215 782 L C 2.507 179.263 176.870 -0.190 0.000 1.119 782 L CA 2.290 57.001 54.840 -0.216 0.000 0.790 782 L CB -0.820 41.121 42.059 -0.196 0.000 0.919 782 L HN 0.476 nan 8.230 nan 0.000 0.443 783 Q N -1.369 118.341 119.800 -0.150 0.000 2.369 783 Q HA 0.004 4.371 4.340 0.045 0.000 0.206 783 Q C 1.239 177.158 176.000 -0.134 0.000 0.963 783 Q CA 1.315 57.048 55.803 -0.118 0.000 0.894 783 Q CB -1.494 27.196 28.738 -0.079 0.000 0.965 783 Q HN 0.511 nan 8.270 nan 0.000 0.475 784 T N 2.118 116.573 114.554 -0.165 0.000 2.853 784 T HA 0.274 4.651 4.350 0.045 0.000 0.298 784 T C 0.124 174.706 174.700 -0.198 0.000 0.978 784 T CA -0.444 61.557 62.100 -0.165 0.000 1.152 784 T CB 0.340 69.100 68.868 -0.179 0.000 0.914 784 T HN 0.487 nan 8.240 nan 0.000 0.539 785 R N 2.652 123.066 120.500 -0.143 0.000 2.594 785 R HA 0.069 4.436 4.340 0.045 0.000 0.272 785 R C 0.204 176.413 176.300 -0.152 0.000 1.074 785 R CA -0.294 55.728 56.100 -0.129 0.000 1.105 785 R CB 0.256 30.519 30.300 -0.062 0.000 1.008 785 R HN 0.705 nan 8.270 nan 0.000 0.472 786 D N 1.566 121.877 120.400 -0.148 0.000 2.723 786 D HA -0.177 4.490 4.640 0.045 0.000 0.236 786 D C 1.042 177.225 176.300 -0.195 0.000 1.138 786 D CA 1.138 55.060 54.000 -0.129 0.000 0.676 786 D CB -0.905 39.848 40.800 -0.077 0.000 1.069 786 D HN 0.637 nan 8.370 nan 0.000 0.430 787 I N -4.367 115.984 120.570 -0.366 0.000 2.584 787 I HA -0.034 4.163 4.170 0.045 0.000 0.255 787 I C 0.670 176.513 176.117 -0.456 0.000 1.145 787 I CA 0.643 61.660 61.300 -0.471 0.000 1.462 787 I CB -0.145 37.452 38.000 -0.673 0.000 1.102 787 I HN -0.202 nan 8.210 nan 0.000 0.433 788 F N 4.255 124.066 119.950 -0.231 0.000 2.406 788 F HA 0.482 5.036 4.527 0.044 0.000 0.358 788 F C 0.515 176.322 175.800 0.012 0.000 1.161 788 F CA -1.103 56.760 58.000 -0.230 0.000 1.185 788 F CB -0.086 38.853 39.000 -0.101 0.000 1.421 788 F HN -0.077 nan 8.300 nan 0.000 0.576 789 K N 0.681 121.210 120.400 0.215 0.000 2.090 789 K HA 0.300 4.647 4.320 0.045 0.000 0.249 789 K C 1.197 177.945 176.600 0.246 0.000 0.995 789 K CA -0.491 55.904 56.287 0.180 0.000 0.914 789 K CB 1.047 33.610 32.500 0.105 0.000 1.057 789 K HN 0.350 nan 8.250 nan 0.000 0.462 790 T N 1.754 116.397 114.554 0.149 0.000 2.635 790 T HA -0.254 4.123 4.350 0.045 0.000 0.267 790 T C 2.301 177.072 174.700 0.118 0.000 1.040 790 T CA 2.458 64.632 62.100 0.123 0.000 1.156 790 T CB -0.347 68.558 68.868 0.061 0.000 0.863 790 T HN 0.749 nan 8.240 nan 0.000 0.430 791 K N 1.034 121.499 120.400 0.108 0.000 2.074 791 K HA -0.147 4.201 4.320 0.045 0.000 0.209 791 K C 1.893 178.556 176.600 0.105 0.000 1.048 791 K CA 2.088 58.426 56.287 0.085 0.000 0.926 791 K CB -1.536 31.014 32.500 0.083 0.000 0.713 791 K HN 0.562 nan 8.250 nan 0.000 0.444 792 F N 0.808 120.780 119.950 0.038 0.000 2.098 792 F HA 0.044 4.598 4.527 0.044 0.000 0.294 792 F C 2.087 177.895 175.800 0.015 0.000 1.107 792 F CA 1.376 59.401 58.000 0.041 0.000 1.234 792 F CB -0.124 38.935 39.000 0.099 0.000 1.002 792 F HN 0.075 nan 8.300 nan 0.000 0.472 793 L N -0.085 121.160 121.223 0.037 0.000 2.129 793 L HA -0.262 4.106 4.340 0.045 0.000 0.212 793 L C 2.456 179.202 176.870 -0.206 0.000 1.087 793 L CA 1.537 56.315 54.840 -0.103 0.000 0.757 793 L CB -0.916 41.249 42.059 0.176 0.000 0.896 793 L HN 0.203 nan 8.230 nan 0.000 0.434 794 S N -0.794 114.817 115.700 -0.148 0.000 2.387 794 S HA -0.128 4.369 4.470 0.045 0.000 0.226 794 S C 1.799 176.215 174.600 -0.307 0.000 1.026 794 S CA 0.895 58.934 58.200 -0.268 0.000 0.972 794 S CB -0.025 63.106 63.200 -0.116 0.000 0.814 794 S HN 0.454 nan 8.310 nan 0.000 0.477 795 E N 0.897 120.932 120.200 -0.275 0.000 2.046 795 E HA -0.065 4.312 4.350 0.045 0.000 0.190 795 E C 2.501 178.901 176.600 -0.334 0.000 0.982 795 E CA 1.261 57.509 56.400 -0.254 0.000 0.800 795 E CB -0.511 29.085 29.700 -0.174 0.000 0.756 795 E HN 0.564 nan 8.360 nan 0.000 0.449 796 I N 1.432 121.672 120.570 -0.550 0.000 2.248 796 I HA -0.244 3.953 4.170 0.045 0.000 0.248 796 I C 1.949 177.871 176.117 -0.326 0.000 1.107 796 I CA 2.096 63.085 61.300 -0.518 0.000 1.373 796 I CB -0.931 36.582 38.000 -0.811 0.000 1.055 796 I HN 0.098 nan 8.210 nan 0.000 0.418 797 E N 0.605 120.608 120.200 -0.328 0.000 2.478 797 E HA 0.084 4.461 4.350 0.045 0.000 0.194 797 E C 1.263 177.735 176.600 -0.214 0.000 1.045 797 E CA 0.542 56.793 56.400 -0.249 0.000 0.868 797 E CB 0.049 29.586 29.700 -0.272 0.000 0.885 797 E HN 0.686 nan 8.360 nan 0.000 0.505 798 S N 0.824 116.395 115.700 -0.216 0.000 2.575 798 S HA -0.069 4.428 4.470 0.045 0.000 0.295 798 S C 0.935 175.465 174.600 -0.117 0.000 1.267 798 S CA 0.702 58.807 58.200 -0.158 0.000 1.074 798 S CB 0.617 63.734 63.200 -0.138 0.000 0.829 798 S HN 0.373 nan 8.310 nan 0.000 0.497 799 D N 3.667 124.011 120.400 -0.094 0.000 2.269 799 D HA 0.058 4.725 4.640 0.045 0.000 0.208 799 D C 2.371 178.635 176.300 -0.059 0.000 0.963 799 D CA 1.415 55.372 54.000 -0.071 0.000 0.864 799 D CB -1.099 39.666 40.800 -0.058 0.000 0.936 799 D HN 0.889 nan 8.370 nan 0.000 0.505 800 S N -0.781 114.884 115.700 -0.059 0.000 2.419 800 S HA 0.353 4.850 4.470 0.045 0.000 0.235 800 S C 1.688 176.259 174.600 -0.047 0.000 1.019 800 S CA 1.298 59.469 58.200 -0.048 0.000 0.982 800 S CB -1.084 62.088 63.200 -0.046 0.000 0.789 800 S HN 1.389 nan 8.310 nan 0.000 0.490 801 L N 0.904 122.092 121.223 -0.058 0.000 2.453 801 L HA 0.776 5.144 4.340 0.045 0.000 0.272 801 L C 0.681 177.522 176.870 -0.047 0.000 1.182 801 L CA -0.259 54.547 54.840 -0.055 0.000 0.858 801 L CB -0.704 41.312 42.059 -0.073 0.000 1.120 801 L HN 0.754 nan 8.230 nan 0.000 0.474 802 A N 2.252 125.049 122.820 -0.038 0.000 2.269 802 A HA 0.645 4.992 4.320 0.045 0.000 0.319 802 A C 1.169 178.733 177.584 -0.032 0.000 1.110 802 A CA 0.079 52.097 52.037 -0.033 0.000 0.847 802 A CB 0.743 19.728 19.000 -0.025 0.000 1.161 802 A HN 1.618 nan 8.150 nan 0.000 0.497 803 L N 1.110 122.315 121.223 -0.030 0.000 2.081 803 L HA -0.202 4.165 4.340 0.045 0.000 0.212 803 L C 2.947 179.804 176.870 -0.022 0.000 1.080 803 L CA 3.193 58.015 54.840 -0.030 0.000 0.754 803 L CB -0.966 41.075 42.059 -0.029 0.000 0.893 803 L HN 0.923 nan 8.230 nan 0.000 0.433 804 R N -0.588 119.902 120.500 -0.017 0.000 2.091 804 R HA -0.212 4.155 4.340 0.045 0.000 0.238 804 R C 2.103 178.399 176.300 -0.006 0.000 1.136 804 R CA 2.108 58.203 56.100 -0.009 0.000 0.959 804 R CB -1.511 28.785 30.300 -0.008 0.000 0.856 804 R HN 0.728 nan 8.270 nan 0.000 0.437 805 Q N -0.136 119.656 119.800 -0.013 0.000 2.119 805 Q HA -0.037 4.330 4.340 0.045 0.000 0.201 805 Q C 2.370 178.362 176.000 -0.013 0.000 0.972 805 Q CA 1.453 57.248 55.803 -0.014 0.000 0.847 805 Q CB -0.093 28.630 28.738 -0.025 0.000 0.903 805 Q HN 0.442 nan 8.270 nan 0.000 0.433 806 V N 0.973 120.872 119.914 -0.024 0.000 2.343 806 V HA -0.269 3.878 4.120 0.045 0.000 0.247 806 V C 2.150 178.250 176.094 0.010 0.000 1.051 806 V CA 1.815 64.099 62.300 -0.028 0.000 1.036 806 V CB -0.479 31.316 31.823 -0.048 0.000 0.654 806 V HN 0.296 nan 8.190 nan 0.000 0.451 807 R N 0.140 120.646 120.500 0.011 0.000 2.081 807 R HA -0.123 4.244 4.340 0.045 0.000 0.235 807 R C 2.482 178.812 176.300 0.051 0.000 1.131 807 R CA 1.421 57.539 56.100 0.032 0.000 0.960 807 R CB -0.681 29.630 30.300 0.018 0.000 0.856 807 R HN 0.533 nan 8.270 nan 0.000 0.436 808 A N 1.679 124.522 122.820 0.038 0.000 1.859 808 A HA -0.219 4.128 4.320 0.045 0.000 0.217 808 A C 2.188 179.815 177.584 0.072 0.000 1.198 808 A CA 1.608 53.672 52.037 0.044 0.000 0.629 808 A CB -0.711 18.305 19.000 0.027 0.000 0.830 808 A HN 0.210 nan 8.150 nan 0.000 0.446 809 I N -0.299 120.321 120.570 0.083 0.000 2.151 809 I HA -0.337 3.860 4.170 0.045 0.000 0.243 809 I C 3.065 179.324 176.117 0.235 0.000 1.080 809 I CA 1.680 63.071 61.300 0.152 0.000 1.339 809 I CB -0.623 37.450 38.000 0.123 0.000 1.039 809 I HN 0.424 nan 8.210 nan 0.000 0.409 810 L N 0.432 121.786 121.223 0.219 0.000 2.056 810 L HA -0.117 4.250 4.340 0.045 0.000 0.207 810 L C 2.781 179.744 176.870 0.154 0.000 1.078 810 L CA 2.516 57.493 54.840 0.228 0.000 0.749 810 L CB -2.139 40.042 42.059 0.202 0.000 0.901 810 L HN 0.440 nan 8.230 nan 0.000 0.433 811 E N -0.772 119.498 120.200 0.116 0.000 2.274 811 E HA -0.242 4.136 4.350 0.045 0.000 0.194 811 E C 1.950 178.589 176.600 0.064 0.000 0.996 811 E CA 0.914 57.364 56.400 0.082 0.000 0.840 811 E CB -0.790 28.950 29.700 0.066 0.000 0.772 811 E HN 0.839 nan 8.360 nan 0.000 0.491 812 D N -0.770 119.675 120.400 0.076 0.000 2.347 812 D HA 0.025 4.692 4.640 0.045 0.000 0.215 812 D C 1.535 177.865 176.300 0.051 0.000 0.976 812 D CA 1.055 55.092 54.000 0.062 0.000 0.884 812 D CB 0.249 41.093 40.800 0.075 0.000 0.915 812 D HN 0.430 nan 8.370 nan 0.000 0.526 813 L N -0.467 120.789 121.223 0.056 0.000 2.685 813 L HA 0.485 4.852 4.340 0.045 0.000 0.233 813 L C 1.606 178.462 176.870 -0.024 0.000 1.173 813 L CA 0.585 55.426 54.840 0.002 0.000 0.961 813 L CB -0.816 41.225 42.059 -0.030 0.000 1.217 813 L HN 0.180 nan 8.230 nan 0.000 0.478 814 G N -2.088 106.711 108.800 -0.002 0.000 2.160 814 G HA2 0.151 4.138 3.960 0.045 0.000 0.251 814 G HA3 0.151 4.138 3.960 0.045 0.000 0.251 814 G C 0.180 175.071 174.900 -0.016 0.000 1.008 814 G CA 0.366 45.455 45.100 -0.018 0.000 0.724 814 G HN 2.167 nan 8.290 nan 0.000 0.514 815 L N -0.593 120.648 121.223 0.031 0.000 2.581 815 L HA 0.819 5.186 4.340 0.045 0.000 0.241 815 L C -1.807 175.148 176.870 0.141 0.000 1.265 815 L CA -1.299 53.581 54.840 0.067 0.000 0.954 815 L CB 0.532 42.665 42.059 0.123 0.000 1.269 815 L HN 0.061 nan 8.230 nan 0.000 0.475 816 P HA 0.642 nan 4.420 nan 0.000 0.271 816 P C 0.040 177.457 177.300 0.194 0.000 1.220 816 P CA 0.495 63.666 63.100 0.119 0.000 0.768 816 P CB 1.172 32.917 31.700 0.075 0.000 0.848 817 L N 1.692 123.008 121.223 0.155 0.000 2.322 817 L HA 0.908 5.275 4.340 0.045 0.000 0.252 817 L C 0.711 177.603 176.870 0.036 0.000 1.055 817 L CA -0.742 54.171 54.840 0.122 0.000 0.849 817 L CB 1.124 43.221 42.059 0.064 0.000 1.446 817 L HN 0.471 nan 8.230 nan 0.000 0.416 818 T N -3.558 110.986 114.554 -0.017 0.000 2.849 818 T HA 0.410 4.787 4.350 0.045 0.000 0.276 818 T C 1.152 175.825 174.700 -0.044 0.000 0.971 818 T CA 0.487 62.572 62.100 -0.025 0.000 0.949 818 T CB 0.855 69.703 68.868 -0.033 0.000 1.093 818 T HN 0.888 nan 8.240 nan 0.000 0.545 819 S N 0.453 116.131 115.700 -0.036 0.000 2.368 819 S HA -0.104 4.394 4.470 0.045 0.000 0.225 819 S C 1.680 176.245 174.600 -0.058 0.000 1.030 819 S CA 1.226 59.402 58.200 -0.040 0.000 0.999 819 S CB -0.598 62.584 63.200 -0.030 0.000 0.844 819 S HN 0.752 nan 8.310 nan 0.000 0.459 820 D N 1.322 121.683 120.400 -0.065 0.000 2.144 820 D HA -0.072 4.595 4.640 0.045 0.000 0.200 820 D C 1.414 177.643 176.300 -0.118 0.000 0.978 820 D CA 0.965 54.918 54.000 -0.078 0.000 0.833 820 D CB -0.462 40.297 40.800 -0.069 0.000 0.961 820 D HN 0.318 nan 8.370 nan 0.000 0.470 821 D N 0.598 120.903 120.400 -0.159 0.000 2.117 821 D HA -0.052 4.615 4.640 0.045 0.000 0.198 821 D C 2.017 178.195 176.300 -0.203 0.000 0.982 821 D CA 1.179 55.019 54.000 -0.268 0.000 0.828 821 D CB -0.362 40.195 40.800 -0.404 0.000 0.967 821 D HN 0.126 nan 8.370 nan 0.000 0.464 822 A N 0.314 123.060 122.820 -0.123 0.000 1.972 822 A HA -0.101 4.247 4.320 0.045 0.000 0.219 822 A C 2.212 179.748 177.584 -0.080 0.000 1.169 822 A CA 0.881 52.872 52.037 -0.076 0.000 0.635 822 A CB -0.606 18.368 19.000 -0.044 0.000 0.810 822 A HN 0.199 nan 8.150 nan 0.000 0.446 823 L N -1.637 119.535 121.223 -0.085 0.000 2.049 823 L HA -0.197 4.170 4.340 0.045 0.000 0.203 823 L C 3.441 180.258 176.870 -0.088 0.000 1.074 823 L CA 1.504 56.298 54.840 -0.077 0.000 0.749 823 L CB -0.794 41.225 42.059 -0.066 0.000 0.907 823 L HN 0.504 nan 8.230 nan 0.000 0.439 824 M N -0.531 119.006 119.600 -0.105 0.000 2.144 824 M HA -0.151 4.356 4.480 0.045 0.000 0.260 824 M C 2.299 178.530 176.300 -0.115 0.000 1.067 824 M CA 2.493 57.728 55.300 -0.109 0.000 1.095 824 M CB -1.879 30.642 32.600 -0.133 0.000 1.365 824 M HN 0.148 nan 8.290 nan 0.000 0.406 825 V N -0.153 119.688 119.914 -0.122 0.000 2.346 825 V HA -0.158 3.990 4.120 0.045 0.000 0.244 825 V C 2.477 178.501 176.094 -0.116 0.000 1.037 825 V CA 1.691 63.924 62.300 -0.112 0.000 1.029 825 V CB -0.716 31.059 31.823 -0.081 0.000 0.663 825 V HN 0.772 nan 8.190 nan 0.000 0.454 826 L N 0.620 121.782 121.223 -0.103 0.000 2.127 826 L HA -0.193 4.174 4.340 0.045 0.000 0.211 826 L C 2.328 179.139 176.870 -0.099 0.000 1.089 826 L CA 2.290 57.066 54.840 -0.106 0.000 0.757 826 L CB -0.698 41.305 42.059 -0.094 0.000 0.899 826 L HN 0.488 nan 8.230 nan 0.000 0.434 827 E N -1.070 119.075 120.200 -0.093 0.000 2.047 827 E HA -0.173 4.204 4.350 0.045 0.000 0.191 827 E C 2.075 178.609 176.600 -0.109 0.000 0.987 827 E CA 1.590 57.939 56.400 -0.085 0.000 0.799 827 E CB -0.046 29.610 29.700 -0.074 0.000 0.752 827 E HN 0.378 nan 8.360 nan 0.000 0.449 828 V N 0.770 120.600 119.914 -0.139 0.000 2.287 828 V HA -0.385 3.763 4.120 0.045 0.000 0.248 828 V C 2.558 178.533 176.094 -0.199 0.000 1.053 828 V CA 1.817 63.995 62.300 -0.203 0.000 1.027 828 V CB -0.657 31.039 31.823 -0.211 0.000 0.646 828 V HN 0.559 nan 8.190 nan 0.000 0.447 829 C N -0.612 118.599 119.300 -0.148 0.000 2.413 829 C HA -0.211 4.276 4.460 0.045 0.000 0.276 829 C C 2.876 177.839 174.990 -0.045 0.000 1.236 829 C CA 1.174 60.133 59.018 -0.098 0.000 1.735 829 C CB -1.134 26.544 27.740 -0.103 0.000 2.031 829 C HN 0.607 nan 8.230 nan 0.000 0.474 830 Q N 0.750 120.522 119.800 -0.046 0.000 2.061 830 Q HA -0.175 4.192 4.340 0.045 0.000 0.204 830 Q C 2.540 178.530 176.000 -0.017 0.000 0.984 830 Q CA 1.920 57.718 55.803 -0.009 0.000 0.846 830 Q CB -0.398 28.325 28.738 -0.024 0.000 0.902 830 Q HN 0.745 nan 8.270 nan 0.000 0.421 831 A N 0.257 123.041 122.820 -0.061 0.000 1.892 831 A HA -0.191 4.156 4.320 0.045 0.000 0.218 831 A C 2.340 179.913 177.584 -0.018 0.000 1.188 831 A CA 1.740 53.745 52.037 -0.053 0.000 0.631 831 A CB -0.886 18.028 19.000 -0.143 0.000 0.822 831 A HN 0.234 nan 8.150 nan 0.000 0.447 832 V N 0.735 120.579 119.914 -0.116 0.000 2.270 832 V HA -0.223 3.924 4.120 0.045 0.000 0.245 832 V C 3.032 179.178 176.094 0.087 0.000 1.043 832 V CA 2.429 64.726 62.300 -0.005 0.000 1.014 832 V CB -0.866 30.902 31.823 -0.091 0.000 0.645 832 V HN 0.829 nan 8.190 nan 0.000 0.447 833 S N -0.358 115.369 115.700 0.045 0.000 2.399 833 S HA -0.332 4.166 4.470 0.045 0.000 0.231 833 S C 1.947 176.539 174.600 -0.015 0.000 1.022 833 S CA 1.926 60.140 58.200 0.024 0.000 0.983 833 S CB -0.484 62.695 63.200 -0.034 0.000 0.803 833 S HN 0.687 nan 8.310 nan 0.000 0.480 834 Q N 1.587 121.384 119.800 -0.005 0.000 1.993 834 Q HA -0.125 4.242 4.340 0.045 0.000 0.202 834 Q C 2.523 178.494 176.000 -0.049 0.000 0.984 834 Q CA 1.347 57.125 55.803 -0.041 0.000 0.837 834 Q CB -0.256 28.480 28.738 -0.002 0.000 0.902 834 Q HN 0.635 nan 8.270 nan 0.000 0.423 835 R N -0.236 120.288 120.500 0.039 0.000 2.103 835 R HA -0.217 4.150 4.340 0.045 0.000 0.242 835 R C 2.159 178.449 176.300 -0.015 0.000 1.142 835 R CA 1.443 57.568 56.100 0.042 0.000 0.960 835 R CB -0.471 29.918 30.300 0.149 0.000 0.858 835 R HN 0.395 nan 8.270 nan 0.000 0.439 836 A N 0.688 123.524 122.820 0.027 0.000 1.873 836 A HA -0.194 4.153 4.320 0.045 0.000 0.218 836 A C 2.383 179.908 177.584 -0.100 0.000 1.193 836 A CA 2.055 54.134 52.037 0.070 0.000 0.629 836 A CB -0.944 18.221 19.000 0.274 0.000 0.826 836 A HN 0.568 nan 8.150 nan 0.000 0.447 837 A N -1.033 121.489 122.820 -0.497 0.000 1.902 837 A HA -0.202 4.145 4.320 0.045 0.000 0.217 837 A C 2.147 179.448 177.584 -0.472 0.000 1.181 837 A CA 1.664 53.033 52.037 -1.113 0.000 0.623 837 A CB -0.559 17.787 19.000 -1.090 0.000 0.818 837 A HN 0.679 nan 8.150 nan 0.000 0.443 838 Q N -0.513 119.132 119.800 -0.258 0.000 2.079 838 Q HA -0.057 4.310 4.340 0.045 0.000 0.200 838 Q C 2.140 178.093 176.000 -0.079 0.000 0.974 838 Q CA 1.254 56.977 55.803 -0.133 0.000 0.840 838 Q CB -0.300 28.390 28.738 -0.080 0.000 0.898 838 Q HN 0.670 nan 8.270 nan 0.000 0.430 839 L N 0.021 121.201 121.223 -0.071 0.000 1.994 839 L HA -0.253 4.114 4.340 0.045 0.000 0.208 839 L C 2.800 179.676 176.870 0.010 0.000 1.071 839 L CA 1.012 55.846 54.840 -0.009 0.000 0.745 839 L CB -0.661 41.337 42.059 -0.102 0.000 0.892 839 L HN 0.432 nan 8.230 nan 0.000 0.431 840 C N 0.470 119.748 119.300 -0.038 0.000 2.403 840 C HA -0.162 4.325 4.460 0.045 0.000 0.277 840 C C 2.864 177.909 174.990 0.092 0.000 1.248 840 C CA 0.999 60.051 59.018 0.057 0.000 1.762 840 C CB -1.364 26.526 27.740 0.250 0.000 2.014 840 C HN 0.671 nan 8.230 nan 0.000 0.486 841 G N 0.033 108.848 108.800 0.024 0.000 2.433 841 G HA2 -0.067 3.920 3.960 0.045 0.000 0.216 841 G HA3 -0.067 3.920 3.960 0.045 0.000 0.216 841 G C 2.032 176.964 174.900 0.054 0.000 1.186 841 G CA 1.218 46.350 45.100 0.054 0.000 0.779 841 G HN 0.788 nan 8.290 nan 0.000 0.543 842 A N 0.857 123.681 122.820 0.006 0.000 1.948 842 A HA 0.058 4.405 4.320 0.045 0.000 0.220 842 A C 2.662 180.219 177.584 -0.045 0.000 1.177 842 A CA 2.346 54.372 52.037 -0.018 0.000 0.636 842 A CB -1.136 17.853 19.000 -0.018 0.000 0.815 842 A HN 0.594 nan 8.150 nan 0.000 0.449 843 G N -0.489 108.257 108.800 -0.091 0.000 2.484 843 G HA2 -0.143 3.845 3.960 0.045 0.000 0.215 843 G HA3 -0.143 3.845 3.960 0.045 0.000 0.215 843 G C 1.506 176.491 174.900 0.142 0.000 1.219 843 G CA 1.383 46.362 45.100 -0.202 0.000 0.791 843 G HN 0.373 nan 8.290 nan 0.000 0.550 844 V N 1.913 122.002 119.914 0.293 0.000 2.380 844 V HA -0.199 3.948 4.120 0.045 0.000 0.251 844 V C 3.330 179.503 176.094 0.132 0.000 1.063 844 V CA 2.048 64.528 62.300 0.299 0.000 1.055 844 V CB -1.065 30.978 31.823 0.368 0.000 0.657 844 V HN 0.515 nan 8.190 nan 0.000 0.455 845 A N 0.208 123.083 122.820 0.091 0.000 1.883 845 A HA -0.169 4.178 4.320 0.045 0.000 0.217 845 A C 2.469 180.044 177.584 -0.015 0.000 1.186 845 A CA 2.335 54.393 52.037 0.034 0.000 0.624 845 A CB -0.881 18.130 19.000 0.019 0.000 0.822 845 A HN 0.604 nan 8.150 nan 0.000 0.444 846 A N -0.728 122.071 122.820 -0.036 0.000 1.902 846 A HA 0.015 4.362 4.320 0.045 0.000 0.217 846 A C 2.261 179.769 177.584 -0.126 0.000 1.181 846 A CA 1.823 53.809 52.037 -0.084 0.000 0.623 846 A CB -0.939 17.989 19.000 -0.120 0.000 0.818 846 A HN 0.384 nan 8.150 nan 0.000 0.443 847 V N 0.372 120.214 119.914 -0.120 0.000 2.237 847 V HA -0.265 3.882 4.120 0.045 0.000 0.245 847 V C 2.772 178.713 176.094 -0.255 0.000 1.046 847 V CA 2.140 64.270 62.300 -0.283 0.000 1.007 847 V CB -1.114 30.585 31.823 -0.206 0.000 0.638 847 V HN 0.591 nan 8.190 nan 0.000 0.445 848 V N -1.643 118.191 119.914 -0.132 0.000 2.392 848 V HA -0.229 3.919 4.120 0.045 0.000 0.249 848 V C 2.318 178.358 176.094 -0.091 0.000 1.059 848 V CA 2.070 64.309 62.300 -0.102 0.000 1.051 848 V CB -0.868 30.918 31.823 -0.061 0.000 0.658 848 V HN 0.528 nan 8.190 nan 0.000 0.455 849 E N 0.943 121.093 120.200 -0.084 0.000 2.047 849 E HA -0.205 4.172 4.350 0.045 0.000 0.191 849 E C 2.158 178.707 176.600 -0.085 0.000 0.987 849 E CA 1.749 58.109 56.400 -0.068 0.000 0.799 849 E CB -0.232 29.435 29.700 -0.054 0.000 0.752 849 E HN 0.716 nan 8.360 nan 0.000 0.449 850 K N 1.263 121.583 120.400 -0.132 0.000 2.020 850 K HA -0.134 4.213 4.320 0.045 0.000 0.212 850 K C 2.133 178.668 176.600 -0.107 0.000 1.050 850 K CA 1.233 57.437 56.287 -0.139 0.000 0.929 850 K CB -0.389 31.966 32.500 -0.242 0.000 0.714 850 K HN 0.036 nan 8.250 nan 0.000 0.443 851 I N 0.214 120.701 120.570 -0.138 0.000 2.208 851 I HA -0.297 3.900 4.170 0.045 0.000 0.245 851 I C 2.741 178.838 176.117 -0.034 0.000 1.097 851 I CA 1.437 62.702 61.300 -0.058 0.000 1.363 851 I CB -0.327 37.641 38.000 -0.053 0.000 1.051 851 I HN 0.257 nan 8.210 nan 0.000 0.413 852 R N 1.097 121.570 120.500 -0.045 0.000 2.070 852 R HA -0.209 4.158 4.340 0.045 0.000 0.233 852 R C 2.536 178.822 176.300 -0.023 0.000 1.137 852 R CA 2.191 58.273 56.100 -0.029 0.000 0.945 852 R CB -0.374 29.908 30.300 -0.030 0.000 0.845 852 R HN 0.403 nan 8.270 nan 0.000 0.430 853 E N 1.092 121.275 120.200 -0.027 0.000 2.110 853 E HA -0.196 4.181 4.350 0.045 0.000 0.193 853 E C 1.643 178.235 176.600 -0.013 0.000 0.988 853 E CA 1.552 57.940 56.400 -0.020 0.000 0.804 853 E CB -0.890 28.795 29.700 -0.024 0.000 0.745 853 E HN 0.467 nan 8.360 nan 0.000 0.458 854 N N 0.096 118.789 118.700 -0.012 0.000 2.149 854 N HA -0.113 4.654 4.740 0.045 0.000 0.188 854 N C 1.652 177.162 175.510 0.000 0.000 1.019 854 N CA 1.396 54.447 53.050 0.001 0.000 0.857 854 N CB -0.170 38.328 38.487 0.018 0.000 0.997 854 N HN 0.483 nan 8.380 nan 0.000 0.426 855 R N -0.277 120.222 120.500 -0.003 0.000 2.388 855 R HA 0.220 4.587 4.340 0.045 0.000 0.247 855 R C 0.723 177.020 176.300 -0.005 0.000 0.931 855 R CA 0.279 56.377 56.100 -0.003 0.000 1.082 855 R CB 0.118 30.416 30.300 -0.004 0.000 1.135 855 R HN 0.117 nan 8.270 nan 0.000 0.525 856 G N 1.808 110.604 108.800 -0.006 0.000 2.321 856 G HA2 -0.293 3.694 3.960 0.045 0.000 0.287 856 G HA3 -0.293 3.694 3.960 0.045 0.000 0.287 856 G C 0.079 174.975 174.900 -0.006 0.000 1.018 856 G CA 0.273 45.369 45.100 -0.006 0.000 0.855 856 G HN 0.216 nan 8.290 nan 0.000 0.507 857 L N -1.171 120.047 121.223 -0.008 0.000 2.421 857 L HA 0.440 4.808 4.340 0.045 0.000 0.263 857 L C 1.487 178.353 176.870 -0.007 0.000 1.122 857 L CA -0.654 54.181 54.840 -0.008 0.000 0.804 857 L CB 0.929 42.982 42.059 -0.009 0.000 1.150 857 L HN 0.203 nan 8.230 nan 0.000 0.457 858 E N 0.007 120.204 120.200 -0.006 0.000 2.364 858 E HA 0.074 4.451 4.350 0.045 0.000 0.196 858 E C -0.032 176.565 176.600 -0.004 0.000 0.990 858 E CA 0.270 56.667 56.400 -0.004 0.000 0.886 858 E CB 0.772 30.470 29.700 -0.003 0.000 0.866 858 E HN 0.472 nan 8.360 nan 0.000 0.493 859 E N 0.708 120.904 120.200 -0.005 0.000 2.356 859 E HA 0.380 4.757 4.350 0.045 0.000 0.275 859 E C -2.005 174.590 176.600 -0.009 0.000 0.904 859 E CA -0.778 55.619 56.400 -0.005 0.000 0.757 859 E CB 1.929 31.627 29.700 -0.003 0.000 1.232 859 E HN -0.104 nan 8.360 nan 0.000 0.442 860 L N 2.555 123.771 121.223 -0.011 0.000 2.409 860 L HA 0.709 5.077 4.340 0.045 0.000 0.272 860 L C -1.597 175.262 176.870 -0.020 0.000 0.980 860 L CA -0.365 54.464 54.840 -0.017 0.000 0.826 860 L CB 1.659 43.704 42.059 -0.024 0.000 1.268 860 L HN 0.563 nan 8.230 nan 0.000 0.407 861 A N 4.846 127.654 122.820 -0.020 0.000 2.256 861 A HA 0.752 5.100 4.320 0.045 0.000 0.317 861 A C -1.219 176.344 177.584 -0.035 0.000 1.318 861 A CA -0.425 51.598 52.037 -0.023 0.000 0.894 861 A CB 0.995 19.986 19.000 -0.016 0.000 1.165 861 A HN 0.924 nan 8.150 nan 0.000 0.525 862 V N 2.673 122.555 119.914 -0.053 0.000 2.888 862 V HA 0.698 4.845 4.120 0.045 0.000 0.309 862 V C -0.429 175.599 176.094 -0.110 0.000 1.114 862 V CA -0.328 61.929 62.300 -0.071 0.000 0.940 862 V CB 2.597 34.375 31.823 -0.075 0.000 1.021 862 V HN 0.897 nan 8.190 nan 0.000 0.426 863 S N 4.051 119.689 115.700 -0.103 0.000 2.549 863 S HA 0.774 5.271 4.470 0.045 0.000 0.297 863 S C -0.747 173.754 174.600 -0.163 0.000 1.115 863 S CA -0.564 57.558 58.200 -0.129 0.000 1.059 863 S CB 1.793 64.955 63.200 -0.064 0.000 1.046 863 S HN 0.706 nan 8.310 nan 0.000 0.506 864 V N 2.090 121.860 119.914 -0.241 0.000 2.350 864 V HA 0.521 4.669 4.120 0.045 0.000 0.285 864 V C 0.649 176.692 176.094 -0.085 0.000 1.014 864 V CA -0.742 61.429 62.300 -0.215 0.000 0.831 864 V CB 1.302 32.868 31.823 -0.427 0.000 1.000 864 V HN 1.017 nan 8.190 nan 0.000 0.433 865 G N 3.559 112.328 108.800 -0.052 0.000 2.372 865 G HA2 0.448 4.435 3.960 0.045 0.000 0.286 865 G HA3 0.448 4.435 3.960 0.045 0.000 0.286 865 G C -0.621 174.253 174.900 -0.043 0.000 1.153 865 G CA -0.041 45.045 45.100 -0.023 0.000 0.985 865 G HN 0.613 nan 8.290 nan 0.000 0.429 866 V N 2.951 122.835 119.914 -0.049 0.000 2.680 866 V HA 0.761 4.908 4.120 0.045 0.000 0.309 866 V C -1.339 174.664 176.094 -0.152 0.000 1.052 866 V CA -0.850 61.348 62.300 -0.170 0.000 0.908 866 V CB 2.257 33.844 31.823 -0.392 0.000 1.001 866 V HN 0.746 nan 8.190 nan 0.000 0.431 867 D N 2.478 122.786 120.400 -0.153 0.000 2.583 867 D HA 0.779 5.446 4.640 0.045 0.000 0.248 867 D C -0.563 175.716 176.300 -0.035 0.000 1.209 867 D CA 0.753 54.721 54.000 -0.054 0.000 0.848 867 D CB 2.375 43.159 40.800 -0.027 0.000 1.431 867 D HN 1.276 nan 8.370 nan 0.000 0.436 868 G N -0.252 108.563 108.800 0.025 0.000 2.634 868 G HA2 0.063 4.050 3.960 0.045 0.000 0.568 868 G HA3 0.063 4.050 3.960 0.045 0.000 0.568 868 G C 0.697 175.634 174.900 0.062 0.000 1.495 868 G CA 0.339 45.457 45.100 0.030 0.000 0.903 868 G HN 0.459 nan 8.290 nan 0.000 0.646 869 T N 0.730 115.302 114.554 0.031 0.000 2.746 869 T HA -0.161 4.216 4.350 0.045 0.000 0.267 869 T C 2.466 177.175 174.700 0.016 0.000 1.039 869 T CA 1.980 64.099 62.100 0.031 0.000 1.142 869 T CB -0.164 68.716 68.868 0.021 0.000 0.866 869 T HN 1.096 nan 8.240 nan 0.000 0.444 870 L N 0.255 121.459 121.223 -0.032 0.000 1.970 870 L HA -0.032 4.335 4.340 0.045 0.000 0.212 870 L C 2.405 179.188 176.870 -0.145 0.000 1.071 870 L CA 1.826 56.597 54.840 -0.115 0.000 0.751 870 L CB -1.189 40.716 42.059 -0.256 0.000 0.889 870 L HN 0.363 nan 8.230 nan 0.000 0.432 871 Y N 0.241 120.376 120.300 -0.275 0.000 2.097 871 Y HA -0.344 4.235 4.550 0.049 0.000 0.282 871 Y C 2.964 178.861 175.900 -0.005 0.000 1.152 871 Y CA 2.902 60.911 58.100 -0.153 0.000 1.136 871 Y CB -0.437 37.992 38.460 -0.053 0.000 0.975 871 Y HN 0.134 nan 8.280 nan 0.000 0.498 872 K N 0.306 120.822 120.400 0.194 0.000 2.097 872 K HA -0.104 4.243 4.320 0.045 0.000 0.206 872 K C 1.874 178.488 176.600 0.022 0.000 1.049 872 K CA 1.876 58.239 56.287 0.126 0.000 0.933 872 K CB -0.729 31.848 32.500 0.128 0.000 0.717 872 K HN 0.607 nan 8.250 nan 0.000 0.442 873 L N -1.258 119.974 121.223 0.014 0.000 2.316 873 L HA 0.232 4.599 4.340 0.045 0.000 0.207 873 L C 1.542 178.405 176.870 -0.011 0.000 1.070 873 L CA -0.042 54.797 54.840 -0.002 0.000 0.820 873 L CB -0.314 41.747 42.059 0.004 0.000 0.992 873 L HN 0.383 nan 8.230 nan 0.000 0.466 874 H N 2.507 121.531 119.070 -0.077 0.000 3.070 874 H HA -0.010 4.574 4.556 0.047 0.000 0.313 874 H C -1.649 173.648 175.328 -0.050 0.000 0.997 874 H CA -1.017 54.999 56.048 -0.053 0.000 1.438 874 H CB 1.581 31.334 29.762 -0.014 0.000 1.455 874 H HN -0.088 nan 8.280 nan 0.000 0.575 875 P HA -0.163 nan 4.420 nan 0.000 0.216 875 P C 1.451 178.748 177.300 -0.004 0.000 1.154 875 P CA 1.308 64.311 63.100 -0.161 0.000 0.865 875 P CB 0.372 31.918 31.700 -0.257 0.000 0.789 876 R N -3.383 117.228 120.500 0.184 0.000 2.287 876 R HA 0.257 4.624 4.340 0.045 0.000 0.197 876 R C 1.922 178.296 176.300 0.124 0.000 0.900 876 R CA 0.020 56.205 56.100 0.142 0.000 1.052 876 R CB -1.769 28.601 30.300 0.116 0.000 1.117 876 R HN 0.188 nan 8.270 nan 0.000 0.568 877 F N 2.587 122.587 119.950 0.082 0.000 2.045 877 F HA -0.375 4.178 4.527 0.043 0.000 0.297 877 F C 2.637 178.313 175.800 -0.207 0.000 1.114 877 F CA 2.584 60.495 58.000 -0.148 0.000 1.207 877 F CB -0.469 38.392 39.000 -0.232 0.000 0.964 877 F HN 0.276 nan 8.300 nan 0.000 0.486 878 S N -0.924 114.710 115.700 -0.110 0.000 2.359 878 S HA -0.234 4.263 4.470 0.045 0.000 0.224 878 S C 2.128 176.567 174.600 -0.268 0.000 1.035 878 S CA 1.596 59.545 58.200 -0.418 0.000 1.018 878 S CB -1.083 61.644 63.200 -0.787 0.000 0.876 878 S HN 0.420 nan 8.310 nan 0.000 0.448 879 S N 1.146 116.739 115.700 -0.179 0.000 2.356 879 S HA -0.044 4.454 4.470 0.045 0.000 0.223 879 S C 2.014 176.534 174.600 -0.133 0.000 1.032 879 S CA 1.247 59.371 58.200 -0.127 0.000 1.005 879 S CB -0.946 62.208 63.200 -0.075 0.000 0.867 879 S HN 0.461 nan 8.310 nan 0.000 0.449 880 L N 1.438 122.567 121.223 -0.157 0.000 2.191 880 L HA 0.009 4.376 4.340 0.045 0.000 0.212 880 L C 2.207 178.956 176.870 -0.201 0.000 1.103 880 L CA 0.979 55.717 54.840 -0.169 0.000 0.769 880 L CB -1.045 40.894 42.059 -0.201 0.000 0.908 880 L HN 0.394 nan 8.230 nan 0.000 0.438 881 V N -0.413 119.342 119.914 -0.264 0.000 2.255 881 V HA -0.176 3.972 4.120 0.045 0.000 0.243 881 V C 2.945 178.972 176.094 -0.111 0.000 1.038 881 V CA 1.797 63.977 62.300 -0.201 0.000 1.008 881 V CB -1.315 30.401 31.823 -0.179 0.000 0.645 881 V HN 0.623 nan 8.190 nan 0.000 0.449 882 A N 0.189 122.886 122.820 -0.205 0.000 1.915 882 A HA -0.298 4.049 4.320 0.045 0.000 0.220 882 A C 2.396 180.007 177.584 0.045 0.000 1.198 882 A CA 2.787 54.792 52.037 -0.052 0.000 0.647 882 A CB -0.999 17.951 19.000 -0.085 0.000 0.825 882 A HN 0.651 nan 8.150 nan 0.000 0.456 883 A N -1.404 121.411 122.820 -0.009 0.000 1.902 883 A HA -0.077 4.270 4.320 0.045 0.000 0.217 883 A C 2.287 179.887 177.584 0.027 0.000 1.181 883 A CA 2.296 54.339 52.037 0.009 0.000 0.623 883 A CB -1.200 17.791 19.000 -0.016 0.000 0.818 883 A HN 0.479 nan 8.150 nan 0.000 0.443 884 T N -0.508 114.053 114.554 0.012 0.000 2.904 884 T HA -0.055 4.322 4.350 0.045 0.000 0.267 884 T C 1.791 176.527 174.700 0.060 0.000 1.059 884 T CA 1.328 63.443 62.100 0.025 0.000 1.137 884 T CB -0.260 68.602 68.868 -0.009 0.000 0.879 884 T HN 0.159 nan 8.240 nan 0.000 0.467 885 V N 1.426 121.399 119.914 0.099 0.000 2.515 885 V HA -0.119 4.028 4.120 0.045 0.000 0.250 885 V C 2.596 178.752 176.094 0.102 0.000 1.058 885 V CA 1.442 63.821 62.300 0.133 0.000 1.064 885 V CB -0.539 31.433 31.823 0.249 0.000 0.675 885 V HN 0.381 nan 8.190 nan 0.000 0.461 886 R N -0.053 120.505 120.500 0.096 0.000 2.062 886 R HA -0.167 4.200 4.340 0.045 0.000 0.231 886 R C 2.428 178.769 176.300 0.068 0.000 1.136 886 R CA 1.675 57.820 56.100 0.075 0.000 0.948 886 R CB -0.377 29.962 30.300 0.066 0.000 0.845 886 R HN 0.588 nan 8.270 nan 0.000 0.430 887 E N 0.819 121.064 120.200 0.074 0.000 2.097 887 E HA -0.214 4.164 4.350 0.045 0.000 0.196 887 E C 1.714 178.396 176.600 0.136 0.000 1.000 887 E CA 1.277 57.740 56.400 0.104 0.000 0.804 887 E CB 0.086 29.861 29.700 0.125 0.000 0.740 887 E HN 0.290 nan 8.360 nan 0.000 0.454 888 L N -1.017 120.260 121.223 0.089 0.000 2.470 888 L HA 0.239 4.606 4.340 0.045 0.000 0.219 888 L C 0.817 177.712 176.870 0.041 0.000 1.071 888 L CA 0.337 55.211 54.840 0.057 0.000 0.850 888 L CB 0.578 42.640 42.059 0.006 0.000 1.040 888 L HN 0.017 nan 8.230 nan 0.000 0.475 889 A N -0.211 122.636 122.820 0.045 0.000 3.258 889 A HA 0.457 4.805 4.320 0.045 0.000 0.318 889 A C -2.090 175.514 177.584 0.034 0.000 0.990 889 A CA -0.919 51.136 52.037 0.030 0.000 0.885 889 A CB 0.019 19.032 19.000 0.022 0.000 1.090 889 A HN -0.054 nan 8.150 nan 0.000 0.479 890 P HA -0.083 nan 4.420 nan 0.000 0.218 890 P C 1.967 179.279 177.300 0.021 0.000 1.152 890 P CA 1.788 64.907 63.100 0.032 0.000 0.826 890 P CB 0.138 31.857 31.700 0.031 0.000 0.790 891 R N -0.740 119.769 120.500 0.015 0.000 2.293 891 R HA -0.011 4.356 4.340 0.045 0.000 0.219 891 R C 1.096 177.398 176.300 0.003 0.000 1.091 891 R CA 1.029 57.133 56.100 0.007 0.000 1.004 891 R CB -1.887 28.415 30.300 0.003 0.000 0.865 891 R HN 0.290 nan 8.270 nan 0.000 0.469 892 C N -0.155 119.148 119.300 0.005 0.000 2.341 892 C HA 0.637 5.124 4.460 0.045 0.000 0.338 892 C C 0.235 175.228 174.990 0.005 0.000 1.257 892 C CA -1.134 57.882 59.018 -0.003 0.000 1.883 892 C CB 1.726 29.459 27.740 -0.012 0.000 2.334 892 C HN 0.386 nan 8.230 nan 0.000 0.524 893 V N 4.613 124.525 119.914 -0.003 0.000 2.270 893 V HA 0.213 4.360 4.120 0.045 0.000 0.263 893 V C 0.014 176.099 176.094 -0.015 0.000 1.066 893 V CA -0.092 62.211 62.300 0.005 0.000 0.857 893 V CB 0.623 32.449 31.823 0.005 0.000 1.099 893 V HN 0.720 nan 8.190 nan 0.000 0.476 894 V N 4.303 124.210 119.914 -0.012 0.000 2.364 894 V HA 0.351 4.498 4.120 0.045 0.000 0.272 894 V C 0.571 176.615 176.094 -0.082 0.000 1.036 894 V CA -0.094 62.145 62.300 -0.102 0.000 0.880 894 V CB 1.608 33.341 31.823 -0.150 0.000 0.991 894 V HN 0.817 nan 8.190 nan 0.000 0.460 895 T N 6.048 120.523 114.554 -0.133 0.000 2.795 895 T HA 0.598 4.975 4.350 0.045 0.000 0.282 895 T C -0.531 174.081 174.700 -0.147 0.000 0.980 895 T CA -0.032 62.052 62.100 -0.026 0.000 1.012 895 T CB 0.579 69.450 68.868 0.005 0.000 0.936 895 T HN 0.302 nan 8.240 nan 0.000 0.457 896 F N 2.710 122.708 119.950 0.080 0.000 2.415 896 F HA 0.500 5.053 4.527 0.043 0.000 0.348 896 F C 0.072 175.927 175.800 0.091 0.000 1.119 896 F CA -0.999 57.058 58.000 0.095 0.000 1.069 896 F CB 0.911 40.017 39.000 0.176 0.000 1.124 896 F HN 0.201 nan 8.300 nan 0.000 0.472 897 L N 3.501 124.839 121.223 0.192 0.000 2.287 897 L HA 0.424 4.791 4.340 0.045 0.000 0.287 897 L C -0.350 176.605 176.870 0.141 0.000 1.022 897 L CA -0.793 54.131 54.840 0.140 0.000 0.814 897 L CB 1.645 43.746 42.059 0.071 0.000 1.217 897 L HN 0.566 nan 8.230 nan 0.000 0.420 898 Q N 2.105 122.002 119.800 0.161 0.000 2.279 898 Q HA 0.192 4.559 4.340 0.045 0.000 0.256 898 Q C -0.104 175.952 176.000 0.093 0.000 0.937 898 Q CA -0.153 55.740 55.803 0.150 0.000 0.933 898 Q CB 1.500 30.363 28.738 0.208 0.000 1.189 898 Q HN 0.607 nan 8.270 nan 0.000 0.417 899 S N 3.146 118.883 115.700 0.061 0.000 2.481 899 S HA 0.173 4.670 4.470 0.045 0.000 0.282 899 S C 0.985 175.613 174.600 0.046 0.000 1.243 899 S CA 0.517 58.743 58.200 0.043 0.000 1.078 899 S CB 0.633 63.844 63.200 0.019 0.000 0.916 899 S HN 0.806 nan 8.310 nan 0.000 0.495 900 E N 3.369 123.596 120.200 0.046 0.000 2.299 900 E HA -0.011 4.366 4.350 0.045 0.000 0.193 900 E C 0.759 177.374 176.600 0.025 0.000 0.998 900 E CA 0.965 57.389 56.400 0.040 0.000 0.851 900 E CB -0.163 29.563 29.700 0.044 0.000 0.795 900 E HN 0.859 nan 8.360 nan 0.000 0.492 901 D N -1.216 119.193 120.400 0.016 0.000 2.469 901 D HA 0.344 5.011 4.640 0.045 0.000 0.215 901 D C 0.972 177.267 176.300 -0.009 0.000 1.154 901 D CA 0.659 54.659 54.000 -0.001 0.000 0.832 901 D CB 0.599 41.391 40.800 -0.013 0.000 1.008 901 D HN 0.565 nan 8.370 nan 0.000 0.506 902 G N 0.963 109.761 108.800 -0.003 0.000 2.796 902 G HA2 -0.290 3.697 3.960 0.045 0.000 0.226 902 G HA3 -0.290 3.697 3.960 0.045 0.000 0.226 902 G C 0.883 175.774 174.900 -0.014 0.000 1.381 902 G CA -0.019 45.076 45.100 -0.008 0.000 0.867 902 G HN 0.078 nan 8.290 nan 0.000 0.552 903 S N 0.372 116.065 115.700 -0.012 0.000 2.453 903 S HA 0.054 4.552 4.470 0.045 0.000 0.231 903 S C 2.628 177.220 174.600 -0.014 0.000 1.005 903 S CA 1.830 60.023 58.200 -0.011 0.000 0.949 903 S CB -0.389 62.811 63.200 -0.000 0.000 0.774 903 S HN 1.635 nan 8.310 nan 0.000 0.510 904 G N 2.099 110.890 108.800 -0.016 0.000 2.469 904 G HA2 -0.297 3.690 3.960 0.045 0.000 0.220 904 G HA3 -0.297 3.690 3.960 0.045 0.000 0.220 904 G C 1.309 176.179 174.900 -0.050 0.000 1.136 904 G CA 1.147 46.232 45.100 -0.025 0.000 0.759 904 G HN 0.481 nan 8.290 nan 0.000 0.562 905 K N 0.202 120.565 120.400 -0.061 0.000 2.026 905 K HA -0.034 4.313 4.320 0.045 0.000 0.208 905 K C 2.676 179.206 176.600 -0.116 0.000 1.048 905 K CA 1.480 57.706 56.287 -0.102 0.000 0.929 905 K CB -0.613 31.822 32.500 -0.109 0.000 0.713 905 K HN 0.237 nan 8.250 nan 0.000 0.439 906 G N 0.289 109.043 108.800 -0.076 0.000 2.402 906 G HA2 -0.223 3.764 3.960 0.045 0.000 0.216 906 G HA3 -0.223 3.764 3.960 0.045 0.000 0.216 906 G C 1.580 176.430 174.900 -0.084 0.000 1.162 906 G CA 0.859 45.921 45.100 -0.064 0.000 0.777 906 G HN 0.443 nan 8.290 nan 0.000 0.539 907 A N 1.419 124.199 122.820 -0.067 0.000 1.892 907 A HA 0.114 4.461 4.320 0.045 0.000 0.218 907 A C 2.842 180.328 177.584 -0.164 0.000 1.188 907 A CA 2.608 54.609 52.037 -0.061 0.000 0.631 907 A CB -0.962 18.038 19.000 0.001 0.000 0.822 907 A HN 0.873 nan 8.150 nan 0.000 0.447 908 A N -0.422 122.258 122.820 -0.233 0.000 1.908 908 A HA -0.085 4.262 4.320 0.045 0.000 0.218 908 A C 2.187 179.334 177.584 -0.727 0.000 1.181 908 A CA 1.613 53.329 52.037 -0.534 0.000 0.627 908 A CB -0.642 18.148 19.000 -0.350 0.000 0.818 908 A HN 0.499 nan 8.150 nan 0.000 0.445 909 L N -0.609 120.393 121.223 -0.370 0.000 2.083 909 L HA -0.159 4.208 4.340 0.045 0.000 0.209 909 L C 2.509 179.263 176.870 -0.193 0.000 1.083 909 L CA 1.008 55.704 54.840 -0.241 0.000 0.752 909 L CB -0.533 41.469 42.059 -0.095 0.000 0.899 909 L HN 0.260 nan 8.230 nan 0.000 0.433 910 V N -0.732 119.084 119.914 -0.163 0.000 2.307 910 V HA -0.258 3.889 4.120 0.045 0.000 0.245 910 V C 2.539 178.571 176.094 -0.105 0.000 1.045 910 V CA 2.295 64.539 62.300 -0.093 0.000 1.024 910 V CB -0.817 30.975 31.823 -0.053 0.000 0.651 910 V HN 0.461 nan 8.190 nan 0.000 0.449 911 T N 0.698 115.141 114.554 -0.185 0.000 2.737 911 T HA -0.230 4.147 4.350 0.045 0.000 0.269 911 T C 2.074 176.744 174.700 -0.049 0.000 1.040 911 T CA 1.631 63.657 62.100 -0.124 0.000 1.142 911 T CB -0.511 68.258 68.868 -0.165 0.000 0.861 911 T HN 0.580 nan 8.240 nan 0.000 0.456 912 A N 1.040 123.727 122.820 -0.223 0.000 1.917 912 A HA -0.113 4.234 4.320 0.045 0.000 0.219 912 A C 2.595 180.238 177.584 0.098 0.000 1.182 912 A CA 1.772 53.861 52.037 0.087 0.000 0.633 912 A CB -1.043 17.980 19.000 0.037 0.000 0.819 912 A HN 0.402 nan 8.150 nan 0.000 0.448 913 V N -0.372 119.561 119.914 0.031 0.000 2.358 913 V HA -0.185 3.962 4.120 0.045 0.000 0.246 913 V C 3.016 179.141 176.094 0.051 0.000 1.047 913 V CA 1.736 64.061 62.300 0.041 0.000 1.035 913 V CB -1.330 30.507 31.823 0.025 0.000 0.658 913 V HN 0.614 nan 8.190 nan 0.000 0.452 914 A N -0.759 122.089 122.820 0.046 0.000 1.978 914 A HA -0.262 4.085 4.320 0.045 0.000 0.220 914 A C 2.345 179.968 177.584 0.066 0.000 1.170 914 A CA 2.313 54.380 52.037 0.050 0.000 0.636 914 A CB -1.035 17.993 19.000 0.046 0.000 0.810 914 A HN 0.613 nan 8.150 nan 0.000 0.448 915 C N -1.556 117.804 119.300 0.101 0.000 2.476 915 C HA 0.066 4.553 4.460 0.045 0.000 0.278 915 C C 3.467 178.500 174.990 0.073 0.000 1.274 915 C CA 1.311 60.390 59.018 0.102 0.000 1.713 915 C CB -1.516 26.319 27.740 0.157 0.000 2.039 915 C HN 0.780 nan 8.230 nan 0.000 0.484 916 R N 0.693 121.239 120.500 0.075 0.000 2.091 916 R HA -0.069 4.299 4.340 0.045 0.000 0.238 916 R C 1.885 178.211 176.300 0.042 0.000 1.136 916 R CA 1.923 58.057 56.100 0.056 0.000 0.959 916 R CB -1.543 28.791 30.300 0.056 0.000 0.856 916 R HN 0.702 nan 8.270 nan 0.000 0.437 917 L N -0.070 121.178 121.223 0.042 0.000 2.191 917 L HA -0.089 4.279 4.340 0.045 0.000 0.212 917 L C 3.039 179.924 176.870 0.024 0.000 1.103 917 L CA 1.162 56.021 54.840 0.032 0.000 0.769 917 L CB -0.302 41.775 42.059 0.031 0.000 0.908 917 L HN 0.557 nan 8.230 nan 0.000 0.438 918 A N -0.588 122.248 122.820 0.027 0.000 1.911 918 A HA 0.064 4.411 4.320 0.045 0.000 0.212 918 A C 1.753 179.348 177.584 0.018 0.000 1.189 918 A CA 0.989 53.038 52.037 0.020 0.000 0.639 918 A CB -0.556 18.458 19.000 0.023 0.000 0.839 918 A HN 0.370 nan 8.150 nan 0.000 0.449 919 Q N 0.000 119.814 119.800 0.024 0.000 2.315 919 Q HA 0.000 4.367 4.340 0.045 0.000 0.214 919 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 919 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 919 Q HN 0.000 nan 8.270 nan 0.000 0.481