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 3cct_1_C DATA FIRST_RESID 444 DATA SEQUENCE PNEECLQILG NAEKGAKFLS DAEIIQLVNA KHIPAYKLET LIETHERGVS DATA SEQUENCE IRRQLLSKKL SEPSSLQYLP YRDYNYSLVM GACCENVIGY MPIPVGVAGP DATA SEQUENCE LCLDEKEFQV PMATTEGCLV ASTNRGCRAI GLGGGASSRV LADGMTRGPV DATA SEQUENCE VRLPRACDSA EVKAWLETSE GFAVIKEAFD STSRFARLQK LHTSIAGRNL DATA SEQUENCE YIRFQSRSGD AMGMNMISKG TEKALSKLHE YFPEMQILAV SGNYCTDKKP DATA SEQUENCE AAINWIEGRG KSVVCEAVIP AKVVREVLKT TTEAMIEVNI NKNLVGSAMA DATA SEQUENCE GSIGGYNAHA ANIVTAIYIA CGQDAAQNVG SSNCITLMEA SGPTNEDLYI DATA SEQUENCE SCTMPSIEIG TVGGGTNLLP QQACLQMLGV QGACKDNPGE NARQLARIVC DATA SEQUENCE GTVMAGELSL MAALAAG 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 444 P HA 0.000 nan 4.420 nan 0.000 0.216 444 P C 0.000 177.267 177.300 -0.055 0.000 1.155 444 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 444 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 445 N N 0.331 118.984 118.700 -0.077 0.000 2.080 445 N HA -0.108 4.655 4.740 0.039 0.000 0.189 445 N C 1.047 176.395 175.510 -0.270 0.000 1.036 445 N CA 1.386 54.329 53.050 -0.179 0.000 0.846 445 N CB 0.190 38.569 38.487 -0.180 0.000 1.015 445 N HN 0.555 nan 8.380 nan 0.000 0.423 446 E N 0.428 120.509 120.200 -0.199 0.000 2.230 446 E HA -0.025 4.349 4.350 0.039 0.000 0.192 446 E C 1.438 177.976 176.600 -0.103 0.000 0.987 446 E CA 0.205 56.504 56.400 -0.168 0.000 0.841 446 E CB 0.121 29.755 29.700 -0.109 0.000 0.783 446 E HN 0.427 nan 8.360 nan 0.000 0.481 447 E N 0.059 120.213 120.200 -0.076 0.000 2.107 447 E HA -0.128 4.245 4.350 0.039 0.000 0.191 447 E C 1.864 178.436 176.600 -0.047 0.000 0.982 447 E CA 0.692 57.062 56.400 -0.050 0.000 0.809 447 E CB 0.114 29.795 29.700 -0.032 0.000 0.756 447 E HN 0.208 nan 8.360 nan 0.000 0.459 448 C N 0.293 119.560 119.300 -0.054 0.000 2.467 448 C HA 0.048 4.531 4.460 0.039 0.000 0.279 448 C C 2.462 177.421 174.990 -0.051 0.000 1.347 448 C CA 0.008 59.003 59.018 -0.039 0.000 1.748 448 C CB -0.692 27.029 27.740 -0.033 0.000 1.977 448 C HN 0.442 nan 8.230 nan 0.000 0.501 449 L N 0.518 121.691 121.223 -0.083 0.000 2.083 449 L HA -0.200 4.163 4.340 0.039 0.000 0.209 449 L C 2.806 179.642 176.870 -0.056 0.000 1.083 449 L CA 1.354 56.147 54.840 -0.078 0.000 0.752 449 L CB -0.578 41.412 42.059 -0.114 0.000 0.899 449 L HN 0.422 nan 8.230 nan 0.000 0.433 450 Q N -0.355 119.410 119.800 -0.057 0.000 2.230 450 Q HA -0.106 4.258 4.340 0.039 0.000 0.202 450 Q C 2.234 178.201 176.000 -0.055 0.000 0.963 450 Q CA 1.247 57.019 55.803 -0.050 0.000 0.866 450 Q CB 0.043 28.752 28.738 -0.049 0.000 0.931 450 Q HN 0.594 nan 8.270 nan 0.000 0.452 451 I N 0.232 120.770 120.570 -0.052 0.000 2.439 451 I HA -0.225 3.968 4.170 0.039 0.000 0.251 451 I C 2.190 178.278 176.117 -0.049 0.000 1.139 451 I CA 0.634 61.897 61.300 -0.061 0.000 1.438 451 I CB -0.129 37.851 38.000 -0.032 0.000 1.085 451 I HN 0.110 nan 8.210 nan 0.000 0.427 452 L N 0.324 121.529 121.223 -0.031 0.000 2.056 452 L HA -0.098 4.265 4.340 0.039 0.000 0.207 452 L C 2.637 179.490 176.870 -0.027 0.000 1.078 452 L CA 1.561 56.388 54.840 -0.021 0.000 0.749 452 L CB -0.934 41.114 42.059 -0.018 0.000 0.901 452 L HN 0.299 nan 8.230 nan 0.000 0.433 453 G N -0.510 108.271 108.800 -0.032 0.000 2.432 453 G HA2 -0.187 3.796 3.960 0.039 0.000 0.219 453 G HA3 -0.187 3.796 3.960 0.039 0.000 0.219 453 G C 0.704 175.582 174.900 -0.036 0.000 1.135 453 G CA 0.097 45.179 45.100 -0.030 0.000 0.767 453 G HN 0.267 nan 8.290 nan 0.000 0.550 454 N N 1.152 119.821 118.700 -0.051 0.000 2.427 454 N HA 0.300 5.064 4.740 0.039 0.000 0.269 454 N C 1.376 176.851 175.510 -0.058 0.000 1.235 454 N CA 0.489 53.501 53.050 -0.063 0.000 0.934 454 N CB 1.391 39.820 38.487 -0.096 0.000 1.121 454 N HN 0.144 nan 8.380 nan 0.000 0.480 455 A N 3.287 126.082 122.820 -0.043 0.000 1.986 455 A HA -0.242 4.101 4.320 0.039 0.000 0.220 455 A C 1.809 179.373 177.584 -0.033 0.000 1.171 455 A CA 1.748 53.767 52.037 -0.030 0.000 0.640 455 A CB -0.274 18.712 19.000 -0.022 0.000 0.811 455 A HN 0.826 nan 8.150 nan 0.000 0.451 456 E N -0.620 119.548 120.200 -0.052 0.000 2.318 456 E HA -0.033 4.340 4.350 0.039 0.000 0.193 456 E C 1.716 178.264 176.600 -0.086 0.000 0.998 456 E CA 0.621 56.988 56.400 -0.054 0.000 0.859 456 E CB -0.120 29.544 29.700 -0.059 0.000 0.812 456 E HN 0.569 nan 8.360 nan 0.000 0.492 457 K N 1.029 121.339 120.400 -0.151 0.000 1.979 457 K HA 0.137 4.481 4.320 0.039 0.000 0.213 457 K C 0.978 177.547 176.600 -0.051 0.000 1.036 457 K CA 1.030 57.151 56.287 -0.276 0.000 0.954 457 K CB -0.410 31.875 32.500 -0.358 0.000 0.743 457 K HN 0.236 nan 8.250 nan 0.000 0.443 458 G N -0.566 108.224 108.800 -0.015 0.000 2.710 458 G HA2 -0.152 3.831 3.960 0.039 0.000 0.668 458 G HA3 -0.152 3.831 3.960 0.039 0.000 0.668 458 G C 0.333 175.292 174.900 0.098 0.000 1.320 458 G CA -0.227 44.904 45.100 0.052 0.000 0.860 458 G HN 0.383 nan 8.290 nan 0.000 0.538 459 A N -0.196 122.670 122.820 0.077 0.000 2.168 459 A HA 0.164 4.507 4.320 0.039 0.000 0.215 459 A C 2.142 179.783 177.584 0.095 0.000 1.152 459 A CA 2.198 54.279 52.037 0.073 0.000 0.716 459 A CB -0.306 18.717 19.000 0.039 0.000 0.794 459 A HN 0.994 nan 8.150 nan 0.000 0.465 460 K N -1.005 119.467 120.400 0.120 0.000 2.152 460 K HA -0.143 4.200 4.320 0.039 0.000 0.206 460 K C 0.550 177.179 176.600 0.047 0.000 1.048 460 K CA 1.352 57.688 56.287 0.081 0.000 0.933 460 K CB -0.267 32.289 32.500 0.092 0.000 0.721 460 K HN 0.423 nan 8.250 nan 0.000 0.447 461 F N 1.066 121.012 119.950 -0.006 0.000 2.769 461 F HA 0.182 4.733 4.527 0.039 0.000 0.304 461 F C 0.373 176.168 175.800 -0.008 0.000 1.158 461 F CA 0.248 58.244 58.000 -0.007 0.000 1.398 461 F CB 0.169 39.164 39.000 -0.009 0.000 1.094 461 F HN -0.093 nan 8.300 nan 0.000 0.553 462 L N -1.361 119.928 121.223 0.109 0.000 2.303 462 L HA 0.502 4.865 4.340 0.039 0.000 0.266 462 L C 0.384 177.267 176.870 0.022 0.000 1.011 462 L CA -1.052 53.824 54.840 0.060 0.000 0.818 462 L CB 1.849 43.939 42.059 0.051 0.000 1.326 462 L HN -0.113 nan 8.230 nan 0.000 0.435 463 S N -1.843 113.865 115.700 0.014 0.000 2.722 463 S HA 0.277 4.770 4.470 0.039 0.000 0.292 463 S C 0.175 174.778 174.600 0.006 0.000 1.135 463 S CA -0.634 57.569 58.200 0.005 0.000 1.003 463 S CB 1.750 64.951 63.200 0.002 0.000 1.067 463 S HN 0.588 nan 8.310 nan 0.000 0.546 464 D N 1.420 121.822 120.400 0.004 0.000 2.104 464 D HA -0.026 4.637 4.640 0.039 0.000 0.194 464 D C 2.191 178.490 176.300 -0.001 0.000 0.994 464 D CA 2.085 56.086 54.000 0.002 0.000 0.830 464 D CB -0.851 39.950 40.800 0.002 0.000 0.959 464 D HN 0.714 nan 8.370 nan 0.000 0.452 465 A N 0.612 123.431 122.820 -0.000 0.000 1.972 465 A HA -0.211 4.132 4.320 0.039 0.000 0.219 465 A C 2.030 179.615 177.584 0.001 0.000 1.169 465 A CA 1.506 53.542 52.037 -0.001 0.000 0.635 465 A CB -0.458 18.542 19.000 -0.000 0.000 0.810 465 A HN 0.226 nan 8.150 nan 0.000 0.446 466 E N -0.354 119.847 120.200 0.003 0.000 2.028 466 E HA -0.112 4.262 4.350 0.039 0.000 0.190 466 E C 1.876 178.477 176.600 0.002 0.000 0.984 466 E CA 1.151 57.553 56.400 0.003 0.000 0.800 466 E CB -0.268 29.435 29.700 0.006 0.000 0.758 466 E HN 0.676 nan 8.360 nan 0.000 0.448 467 I N 1.122 121.694 120.570 0.002 0.000 2.208 467 I HA -0.298 3.895 4.170 0.039 0.000 0.245 467 I C 2.326 178.443 176.117 -0.001 0.000 1.097 467 I CA 1.142 62.442 61.300 -0.000 0.000 1.363 467 I CB -0.202 37.797 38.000 -0.001 0.000 1.051 467 I HN 0.130 nan 8.210 nan 0.000 0.413 468 I N 0.013 120.582 120.570 -0.002 0.000 2.315 468 I HA -0.298 3.896 4.170 0.039 0.000 0.248 468 I C 2.645 178.765 176.117 0.005 0.000 1.117 468 I CA 1.203 62.501 61.300 -0.004 0.000 1.404 468 I CB -0.331 37.664 38.000 -0.008 0.000 1.071 468 I HN 0.343 nan 8.210 nan 0.000 0.419 469 Q N 0.622 120.428 119.800 0.010 0.000 2.124 469 Q HA -0.222 4.141 4.340 0.039 0.000 0.202 469 Q C 2.254 178.282 176.000 0.046 0.000 0.977 469 Q CA 1.452 57.269 55.803 0.023 0.000 0.850 469 Q CB 0.136 28.886 28.738 0.020 0.000 0.901 469 Q HN 0.321 nan 8.270 nan 0.000 0.429 470 L N -0.356 120.891 121.223 0.039 0.000 2.017 470 L HA -0.166 4.197 4.340 0.039 0.000 0.208 470 L C 2.333 179.243 176.870 0.067 0.000 1.073 470 L CA 1.219 56.100 54.840 0.069 0.000 0.745 470 L CB -1.047 41.027 42.059 0.025 0.000 0.894 470 L HN 0.113 nan 8.230 nan 0.000 0.432 471 V N -0.251 119.676 119.914 0.022 0.000 2.295 471 V HA -0.289 3.854 4.120 0.039 0.000 0.246 471 V C 2.006 178.100 176.094 -0.001 0.000 1.049 471 V CA 2.000 64.300 62.300 -0.001 0.000 1.024 471 V CB -0.740 31.075 31.823 -0.015 0.000 0.648 471 V HN 0.548 nan 8.190 nan 0.000 0.447 472 N N 0.163 118.866 118.700 0.005 0.000 2.396 472 N HA -0.021 4.742 4.740 0.039 0.000 0.180 472 N C 1.545 177.051 175.510 -0.007 0.000 1.028 472 N CA 0.884 53.933 53.050 -0.002 0.000 0.893 472 N CB -0.144 38.343 38.487 0.001 0.000 0.967 472 N HN 0.489 nan 8.380 nan 0.000 0.440 473 A N 0.758 123.581 122.820 0.004 0.000 2.275 473 A HA 0.075 4.418 4.320 0.039 0.000 0.212 473 A C 0.496 178.002 177.584 -0.129 0.000 1.201 473 A CA 0.226 52.243 52.037 -0.033 0.000 0.843 473 A CB 0.283 19.311 19.000 0.047 0.000 0.873 473 A HN 0.032 nan 8.150 nan 0.000 0.492 474 K N -0.885 119.465 120.400 -0.083 0.000 3.423 474 K HA -0.190 4.153 4.320 0.039 0.000 0.306 474 K C 0.384 176.905 176.600 -0.132 0.000 1.331 474 K CA 1.163 57.390 56.287 -0.100 0.000 0.905 474 K CB -2.454 29.982 32.500 -0.106 0.000 1.332 474 K HN 0.735 nan 8.250 nan 0.000 0.473 475 H N -0.116 118.938 119.070 -0.027 0.000 2.363 475 H HA 0.091 4.670 4.556 0.039 0.000 0.301 475 H C 0.876 176.177 175.328 -0.044 0.000 1.074 475 H CA 0.800 56.831 56.048 -0.029 0.000 1.354 475 H CB 0.435 30.182 29.762 -0.024 0.000 1.397 475 H HN 0.089 nan 8.280 nan 0.000 0.516 476 I N 1.749 122.353 120.570 0.058 0.000 2.465 476 I HA 0.243 4.436 4.170 0.039 0.000 0.291 476 I C -2.274 173.787 176.117 -0.094 0.000 1.014 476 I CA -2.805 58.477 61.300 -0.029 0.000 1.093 476 I CB 1.748 39.729 38.000 -0.031 0.000 1.267 476 I HN -0.187 nan 8.210 nan 0.000 0.431 477 P HA 0.113 nan 4.420 nan 0.000 0.265 477 P C 0.570 177.676 177.300 -0.323 0.000 1.193 477 P CA -0.033 62.888 63.100 -0.299 0.000 0.765 477 P CB 0.804 32.136 31.700 -0.613 0.000 0.823 478 A N 3.621 126.341 122.820 -0.168 0.000 2.015 478 A HA -0.205 4.139 4.320 0.039 0.000 0.219 478 A C 1.695 179.245 177.584 -0.057 0.000 1.163 478 A CA 1.427 53.416 52.037 -0.080 0.000 0.646 478 A CB -1.571 17.426 19.000 -0.004 0.000 0.806 478 A HN 0.737 nan 8.150 nan 0.000 0.448 479 Y N -0.917 119.386 120.300 0.004 0.000 2.509 479 Y HA 0.175 4.748 4.550 0.039 0.000 0.293 479 Y C 1.318 177.223 175.900 0.009 0.000 1.133 479 Y CA 0.915 59.018 58.100 0.005 0.000 1.283 479 Y CB -0.340 38.122 38.460 0.004 0.000 1.001 479 Y HN 0.115 nan 8.280 nan 0.000 0.555 480 K N 0.958 121.160 120.400 -0.329 0.000 2.589 480 K HA 0.192 4.535 4.320 0.039 0.000 0.204 480 K C 0.832 177.394 176.600 -0.062 0.000 1.029 480 K CA 0.055 56.239 56.287 -0.172 0.000 1.177 480 K CB -0.074 32.250 32.500 -0.293 0.000 0.902 480 K HN 0.468 nan 8.250 nan 0.000 0.501 481 L N -0.492 120.717 121.223 -0.024 0.000 2.298 481 L HA -0.014 4.349 4.340 0.039 0.000 0.209 481 L C 2.142 179.026 176.870 0.024 0.000 1.084 481 L CA 0.502 55.339 54.840 -0.006 0.000 0.816 481 L CB 0.002 42.056 42.059 -0.009 0.000 0.967 481 L HN 0.096 nan 8.230 nan 0.000 0.460 482 E N 0.455 120.683 120.200 0.046 0.000 2.077 482 E HA -0.210 4.163 4.350 0.039 0.000 0.193 482 E C 2.142 178.780 176.600 0.064 0.000 0.989 482 E CA 2.116 58.555 56.400 0.065 0.000 0.800 482 E CB -0.014 29.731 29.700 0.075 0.000 0.746 482 E HN 0.498 nan 8.360 nan 0.000 0.452 483 T N -1.750 112.838 114.554 0.056 0.000 2.851 483 T HA -0.077 4.297 4.350 0.039 0.000 0.262 483 T C 1.742 176.460 174.700 0.030 0.000 1.043 483 T CA 0.802 62.931 62.100 0.047 0.000 1.140 483 T CB -0.239 68.661 68.868 0.052 0.000 0.872 483 T HN -0.003 nan 8.240 nan 0.000 0.446 484 L N 1.037 122.271 121.223 0.020 0.000 1.982 484 L HA 0.380 4.743 4.340 0.039 0.000 0.206 484 L C 1.268 178.149 176.870 0.018 0.000 1.078 484 L CA 0.782 55.629 54.840 0.012 0.000 0.749 484 L CB -0.801 41.257 42.059 -0.002 0.000 0.894 484 L HN 0.310 nan 8.230 nan 0.000 0.436 485 I N 0.672 121.255 120.570 0.020 0.000 2.821 485 I HA -0.167 4.026 4.170 0.039 0.000 0.294 485 I C 1.486 177.617 176.117 0.023 0.000 1.210 485 I CA 0.239 61.553 61.300 0.025 0.000 1.430 485 I CB 0.445 38.461 38.000 0.027 0.000 1.356 485 I HN 0.273 nan 8.210 nan 0.000 0.563 486 E N 3.307 123.516 120.200 0.015 0.000 2.170 486 E HA -0.063 4.310 4.350 0.039 0.000 0.191 486 E C 0.836 177.407 176.600 -0.047 0.000 0.981 486 E CA 0.595 56.990 56.400 -0.008 0.000 0.830 486 E CB 0.287 29.988 29.700 0.002 0.000 0.775 486 E HN 0.675 nan 8.360 nan 0.000 0.470 487 T N -1.949 112.593 114.554 -0.019 0.000 2.934 487 T HA 0.184 4.557 4.350 0.039 0.000 0.283 487 T C 0.587 175.316 174.700 0.048 0.000 1.005 487 T CA -0.282 61.803 62.100 -0.025 0.000 1.041 487 T CB 0.892 69.770 68.868 0.016 0.000 1.042 487 T HN 0.193 nan 8.240 nan 0.000 0.505 488 H N 0.693 119.795 119.070 0.053 0.000 2.344 488 H HA 0.152 4.732 4.556 0.039 0.000 0.307 488 H C 2.067 177.378 175.328 -0.028 0.000 1.057 488 H CA 0.925 56.994 56.048 0.034 0.000 1.373 488 H CB 0.336 30.167 29.762 0.114 0.000 1.421 488 H HN 0.767 nan 8.280 nan 0.000 0.532 489 E N 1.229 121.551 120.200 0.202 0.000 2.153 489 E HA -0.193 4.180 4.350 0.039 0.000 0.194 489 E C 2.268 178.946 176.600 0.130 0.000 0.988 489 E CA 0.656 57.153 56.400 0.162 0.000 0.811 489 E CB 0.161 30.026 29.700 0.276 0.000 0.746 489 E HN 0.278 nan 8.360 nan 0.000 0.466 490 R N -0.429 120.134 120.500 0.106 0.000 2.090 490 R HA -0.073 4.290 4.340 0.039 0.000 0.228 490 R C 2.348 178.666 176.300 0.030 0.000 1.110 490 R CA 1.068 57.213 56.100 0.075 0.000 0.973 490 R CB -0.363 29.972 30.300 0.058 0.000 0.869 490 R HN 0.241 nan 8.270 nan 0.000 0.440 491 G N 0.292 109.108 108.800 0.026 0.000 2.459 491 G HA2 -0.252 3.731 3.960 0.039 0.000 0.217 491 G HA3 -0.252 3.731 3.960 0.039 0.000 0.217 491 G C 1.401 176.262 174.900 -0.065 0.000 1.183 491 G CA 1.035 46.134 45.100 -0.002 0.000 0.776 491 G HN 0.198 nan 8.290 nan 0.000 0.552 492 V N 0.864 120.701 119.914 -0.128 0.000 2.324 492 V HA -0.219 3.924 4.120 0.039 0.000 0.250 492 V C 3.061 179.030 176.094 -0.208 0.000 1.060 492 V CA 2.388 64.567 62.300 -0.202 0.000 1.042 492 V CB -0.610 31.016 31.823 -0.329 0.000 0.650 492 V HN 0.520 nan 8.190 nan 0.000 0.450 493 S N -0.413 115.199 115.700 -0.147 0.000 2.368 493 S HA -0.161 4.332 4.470 0.039 0.000 0.225 493 S C 1.863 176.368 174.600 -0.158 0.000 1.030 493 S CA 1.681 59.751 58.200 -0.217 0.000 0.999 493 S CB -0.306 62.906 63.200 0.020 0.000 0.844 493 S HN 0.406 nan 8.310 nan 0.000 0.459 494 I N 1.623 122.142 120.570 -0.085 0.000 2.252 494 I HA 0.037 4.230 4.170 0.039 0.000 0.245 494 I C 2.579 178.651 176.117 -0.076 0.000 1.102 494 I CA 1.092 62.354 61.300 -0.063 0.000 1.385 494 I CB -0.506 37.475 38.000 -0.032 0.000 1.064 494 I HN 0.274 nan 8.210 nan 0.000 0.414 495 R N 0.527 120.975 120.500 -0.086 0.000 2.091 495 R HA -0.167 4.197 4.340 0.039 0.000 0.238 495 R C 2.429 178.668 176.300 -0.102 0.000 1.136 495 R CA 1.489 57.541 56.100 -0.081 0.000 0.959 495 R CB -0.106 30.147 30.300 -0.079 0.000 0.856 495 R HN 0.229 nan 8.270 nan 0.000 0.437 496 R N -0.137 120.269 120.500 -0.157 0.000 2.081 496 R HA -0.132 4.231 4.340 0.039 0.000 0.235 496 R C 2.493 178.711 176.300 -0.135 0.000 1.131 496 R CA 1.950 57.941 56.100 -0.180 0.000 0.960 496 R CB -0.173 29.937 30.300 -0.317 0.000 0.856 496 R HN 0.412 nan 8.270 nan 0.000 0.436 497 Q N 0.311 120.037 119.800 -0.123 0.000 2.079 497 Q HA -0.080 4.283 4.340 0.039 0.000 0.200 497 Q C 2.224 178.188 176.000 -0.060 0.000 0.974 497 Q CA 1.084 56.836 55.803 -0.085 0.000 0.840 497 Q CB -0.013 28.683 28.738 -0.070 0.000 0.898 497 Q HN 0.330 nan 8.270 nan 0.000 0.430 498 L N 0.158 121.348 121.223 -0.055 0.000 2.046 498 L HA -0.206 4.157 4.340 0.039 0.000 0.208 498 L C 2.323 179.171 176.870 -0.037 0.000 1.077 498 L CA 0.593 55.410 54.840 -0.039 0.000 0.747 498 L CB -0.327 41.712 42.059 -0.033 0.000 0.896 498 L HN 0.259 nan 8.230 nan 0.000 0.432 499 L N -1.017 120.178 121.223 -0.047 0.000 2.093 499 L HA -0.129 4.234 4.340 0.039 0.000 0.208 499 L C 2.541 179.387 176.870 -0.039 0.000 1.085 499 L CA 1.572 56.387 54.840 -0.041 0.000 0.755 499 L CB -0.354 41.675 42.059 -0.050 0.000 0.904 499 L HN 0.044 nan 8.230 nan 0.000 0.435 500 S N -0.608 115.062 115.700 -0.049 0.000 2.402 500 S HA -0.153 4.340 4.470 0.039 0.000 0.229 500 S C 1.828 176.409 174.600 -0.031 0.000 1.021 500 S CA 1.086 59.260 58.200 -0.044 0.000 0.974 500 S CB -0.190 62.977 63.200 -0.055 0.000 0.800 500 S HN 0.451 nan 8.310 nan 0.000 0.484 501 K N 0.830 121.213 120.400 -0.029 0.000 2.362 501 K HA 0.010 4.354 4.320 0.039 0.000 0.200 501 K C 1.560 178.150 176.600 -0.017 0.000 1.046 501 K CA 0.800 57.074 56.287 -0.021 0.000 0.952 501 K CB 0.031 32.519 32.500 -0.019 0.000 0.753 501 K HN 0.253 nan 8.250 nan 0.000 0.466 502 K N 0.312 120.702 120.400 -0.017 0.000 2.393 502 K HA 0.143 4.486 4.320 0.039 0.000 0.193 502 K C 0.217 176.809 176.600 -0.012 0.000 1.026 502 K CA 0.033 56.312 56.287 -0.013 0.000 1.064 502 K CB 0.310 32.803 32.500 -0.012 0.000 0.833 502 K HN 0.012 nan 8.250 nan 0.000 0.521 503 L N 1.204 122.419 121.223 -0.014 0.000 2.399 503 L HA 0.087 4.450 4.340 0.039 0.000 0.266 503 L C 1.676 178.540 176.870 -0.009 0.000 1.114 503 L CA -0.365 54.468 54.840 -0.012 0.000 0.804 503 L CB 1.364 43.414 42.059 -0.015 0.000 1.146 503 L HN 0.103 nan 8.230 nan 0.000 0.451 504 S N -0.120 115.576 115.700 -0.006 0.000 2.447 504 S HA -0.029 4.464 4.470 0.039 0.000 0.233 504 S C 0.610 175.208 174.600 -0.004 0.000 1.006 504 S CA 0.607 58.804 58.200 -0.004 0.000 0.957 504 S CB -0.024 63.174 63.200 -0.003 0.000 0.773 504 S HN 0.614 nan 8.310 nan 0.000 0.507 505 E N 1.720 121.918 120.200 -0.004 0.000 2.255 505 E HA 0.298 4.671 4.350 0.039 0.000 0.245 505 E C -2.354 174.242 176.600 -0.008 0.000 0.909 505 E CA -2.188 54.211 56.400 -0.002 0.000 0.747 505 E CB 1.786 31.488 29.700 0.003 0.000 1.215 505 E HN 0.168 nan 8.360 nan 0.000 0.424 506 P HA -0.137 nan 4.420 nan 0.000 0.223 506 P C 1.042 178.327 177.300 -0.025 0.000 1.144 506 P CA 1.004 64.093 63.100 -0.019 0.000 0.783 506 P CB 0.259 31.948 31.700 -0.018 0.000 0.771 507 S N -2.835 112.855 115.700 -0.018 0.000 2.660 507 S HA 0.159 4.652 4.470 0.039 0.000 0.227 507 S C 1.599 176.190 174.600 -0.014 0.000 0.948 507 S CA -0.121 58.065 58.200 -0.023 0.000 0.948 507 S CB -0.823 62.369 63.200 -0.014 0.000 0.779 507 S HN -0.063 nan 8.310 nan 0.000 0.487 508 S N 2.174 117.868 115.700 -0.009 0.000 2.368 508 S HA 0.102 4.595 4.470 0.039 0.000 0.225 508 S C 1.464 176.067 174.600 0.005 0.000 1.030 508 S CA 1.076 59.280 58.200 0.006 0.000 0.999 508 S CB -0.413 62.787 63.200 -0.001 0.000 0.844 508 S HN 0.593 nan 8.310 nan 0.000 0.459 509 L N 1.418 122.625 121.223 -0.027 0.000 2.599 509 L HA 0.072 4.436 4.340 0.039 0.000 0.230 509 L C 2.327 179.163 176.870 -0.056 0.000 1.141 509 L CA 0.163 54.980 54.840 -0.040 0.000 0.877 509 L CB -0.483 41.530 42.059 -0.076 0.000 1.009 509 L HN 0.343 nan 8.230 nan 0.000 0.447 510 Q N 0.648 120.392 119.800 -0.093 0.000 2.103 510 Q HA -0.266 4.097 4.340 0.039 0.000 0.213 510 Q C 1.281 177.087 176.000 -0.322 0.000 1.008 510 Q CA 2.345 57.996 55.803 -0.252 0.000 0.879 510 Q CB -0.134 28.372 28.738 -0.387 0.000 0.946 510 Q HN 0.575 nan 8.270 nan 0.000 0.413 511 Y N -0.954 119.343 120.300 -0.005 0.000 2.485 511 Y HA 0.184 4.757 4.550 0.039 0.000 0.260 511 Y C -0.243 175.634 175.900 -0.039 0.000 1.173 511 Y CA -0.768 57.324 58.100 -0.014 0.000 1.252 511 Y CB 0.707 39.158 38.460 -0.014 0.000 1.123 511 Y HN 0.127 nan 8.280 nan 0.000 0.524 512 L N 4.799 126.054 121.223 0.054 0.000 2.342 512 L HA 0.339 4.702 4.340 0.039 0.000 0.285 512 L C -2.428 174.409 176.870 -0.056 0.000 1.095 512 L CA -2.299 52.527 54.840 -0.024 0.000 0.843 512 L CB 0.059 42.099 42.059 -0.032 0.000 1.201 512 L HN -0.149 nan 8.230 nan 0.000 0.445 513 P HA 0.136 nan 4.420 nan 0.000 0.275 513 P C -0.982 176.085 177.300 -0.388 0.000 1.228 513 P CA 0.167 63.070 63.100 -0.329 0.000 0.786 513 P CB 0.658 32.013 31.700 -0.574 0.000 0.927 514 Y N -0.841 119.364 120.300 -0.158 0.000 2.532 514 Y HA 0.406 4.979 4.550 0.039 0.000 0.282 514 Y C 0.526 176.711 175.900 0.475 0.000 1.013 514 Y CA -0.665 57.554 58.100 0.198 0.000 1.159 514 Y CB 0.112 38.649 38.460 0.128 0.000 1.393 514 Y HN 0.010 nan 8.280 nan 0.000 0.580 515 R N 2.565 122.909 120.500 -0.260 0.000 2.490 515 R HA 0.170 4.533 4.340 0.039 0.000 0.278 515 R C -0.728 175.639 176.300 0.112 0.000 1.069 515 R CA 0.060 56.037 56.100 -0.205 0.000 1.080 515 R CB 0.184 30.249 30.300 -0.391 0.000 1.030 515 R HN 0.263 nan 8.270 nan 0.000 0.491 516 D N 0.890 121.353 120.400 0.105 0.000 2.746 516 D HA -0.250 4.413 4.640 0.039 0.000 0.241 516 D C -1.172 175.158 176.300 0.050 0.000 1.140 516 D CA 1.232 55.272 54.000 0.068 0.000 0.707 516 D CB -1.133 39.686 40.800 0.032 0.000 1.034 516 D HN 0.456 nan 8.370 nan 0.000 0.423 517 Y N 0.255 120.475 120.300 -0.135 0.000 2.524 517 Y HA 0.384 4.957 4.550 0.038 0.000 0.347 517 Y C -0.292 175.360 175.900 -0.412 0.000 1.005 517 Y CA -1.362 56.494 58.100 -0.407 0.000 1.025 517 Y CB 1.300 39.339 38.460 -0.702 0.000 1.275 517 Y HN -0.141 nan 8.280 nan 0.000 0.460 518 N N 4.196 122.214 118.700 -1.138 0.000 2.671 518 N HA 0.027 4.790 4.740 0.039 0.000 0.274 518 N C -0.425 174.792 175.510 -0.488 0.000 1.188 518 N CA 0.453 53.118 53.050 -0.642 0.000 1.065 518 N CB -0.450 37.710 38.487 -0.546 0.000 1.415 518 N HN 0.725 nan 8.380 nan 0.000 0.511 519 Y N 0.026 120.340 120.300 0.024 0.000 2.583 519 Y HA -0.090 4.483 4.550 0.038 0.000 0.293 519 Y C 2.352 178.264 175.900 0.020 0.000 1.157 519 Y CA 0.440 58.600 58.100 0.100 0.000 1.315 519 Y CB 0.151 38.673 38.460 0.104 0.000 1.021 519 Y HN 0.507 nan 8.280 nan 0.000 0.536 520 S N -0.234 115.618 115.700 0.252 0.000 2.402 520 S HA -0.135 4.359 4.470 0.039 0.000 0.229 520 S C 1.556 176.231 174.600 0.125 0.000 1.021 520 S CA 0.922 59.286 58.200 0.273 0.000 0.974 520 S CB -0.623 62.697 63.200 0.200 0.000 0.800 520 S HN 0.526 nan 8.310 nan 0.000 0.484 521 L N 0.783 122.032 121.223 0.043 0.000 2.558 521 L HA 0.215 4.579 4.340 0.039 0.000 0.225 521 L C 1.854 178.750 176.870 0.043 0.000 1.128 521 L CA 0.009 54.861 54.840 0.020 0.000 0.868 521 L CB -0.026 42.012 42.059 -0.035 0.000 1.006 521 L HN 0.239 nan 8.230 nan 0.000 0.454 522 V N -1.456 118.504 119.914 0.078 0.000 2.627 522 V HA 0.052 4.195 4.120 0.039 0.000 0.239 522 V C 1.132 177.265 176.094 0.066 0.000 1.077 522 V CA 0.198 62.565 62.300 0.112 0.000 1.103 522 V CB 0.015 31.981 31.823 0.239 0.000 0.802 522 V HN 0.191 nan 8.190 nan 0.000 0.482 523 M N 1.262 120.864 119.600 0.004 0.000 2.261 523 M HA 0.330 4.833 4.480 0.039 0.000 0.350 523 M C 1.230 177.540 176.300 0.017 0.000 1.343 523 M CA 1.280 56.541 55.300 -0.064 0.000 1.003 523 M CB -0.470 31.927 32.600 -0.337 0.000 1.848 523 M HN 0.469 nan 8.290 nan 0.000 0.456 524 G N 2.387 111.204 108.800 0.027 0.000 2.153 524 G HA2 -0.115 3.868 3.960 0.039 0.000 0.252 524 G HA3 -0.115 3.868 3.960 0.039 0.000 0.252 524 G C 0.466 175.389 174.900 0.038 0.000 0.994 524 G CA 0.540 45.664 45.100 0.041 0.000 0.698 524 G HN 1.203 nan 8.290 nan 0.000 0.521 525 A N -2.875 119.967 122.820 0.037 0.000 1.704 525 A HA 0.476 4.820 4.320 0.039 0.000 0.205 525 A C 1.669 179.273 177.584 0.034 0.000 1.837 525 A CA 1.632 53.689 52.037 0.034 0.000 1.364 525 A CB -0.184 18.837 19.000 0.035 0.000 1.377 525 A HN 0.915 nan 8.150 nan 0.000 0.390 526 C N -1.079 118.246 119.300 0.042 0.000 3.449 526 C HA 0.604 5.087 4.460 0.039 0.000 0.404 526 C C 0.512 175.532 174.990 0.049 0.000 1.383 526 C CA -0.049 58.996 59.018 0.046 0.000 1.936 526 C CB -0.454 27.320 27.740 0.057 0.000 2.738 526 C HN 0.686 nan 8.230 nan 0.000 0.663 527 C N 0.976 120.308 119.300 0.052 0.000 3.284 527 C HA 0.612 5.095 4.460 0.039 0.000 0.338 527 C C -1.927 173.086 174.990 0.038 0.000 1.237 527 C CA -0.230 58.818 59.018 0.050 0.000 1.276 527 C CB 1.129 28.910 27.740 0.069 0.000 1.601 527 C HN 0.528 nan 8.230 nan 0.000 0.494 528 E N 1.784 122.001 120.200 0.028 0.000 2.359 528 E HA 0.538 4.911 4.350 0.039 0.000 0.266 528 E C -0.459 176.147 176.600 0.011 0.000 0.920 528 E CA -0.480 55.930 56.400 0.017 0.000 0.788 528 E CB 0.696 30.406 29.700 0.017 0.000 1.279 528 E HN 0.618 nan 8.360 nan 0.000 0.438 529 N N -0.426 118.275 118.700 0.002 0.000 2.705 529 N HA -0.154 4.609 4.740 0.039 0.000 0.255 529 N C -0.925 174.576 175.510 -0.016 0.000 1.008 529 N CA 0.428 53.474 53.050 -0.007 0.000 0.742 529 N CB -1.472 37.015 38.487 -0.000 0.000 0.906 529 N HN 0.168 nan 8.380 nan 0.000 0.541 530 V N 1.230 121.129 119.914 -0.025 0.000 2.555 530 V HA 0.159 4.302 4.120 0.039 0.000 0.286 530 V C 1.841 177.900 176.094 -0.058 0.000 1.044 530 V CA -0.061 62.230 62.300 -0.015 0.000 1.026 530 V CB 1.114 32.944 31.823 0.011 0.000 0.981 530 V HN 0.405 nan 8.190 nan 0.000 0.480 531 I N 1.468 122.020 120.570 -0.029 0.000 4.240 531 I HA 0.782 4.975 4.170 0.039 0.000 0.331 531 I C 0.676 176.778 176.117 -0.024 0.000 1.381 531 I CA 0.313 61.571 61.300 -0.071 0.000 1.136 531 I CB 0.492 38.449 38.000 -0.073 0.000 1.137 531 I HN 0.716 nan 8.210 nan 0.000 0.411 532 G N 1.291 110.151 108.800 0.100 0.000 2.356 532 G HA2 0.242 4.225 3.960 0.039 0.000 0.266 532 G HA3 0.242 4.225 3.960 0.039 0.000 0.266 532 G C -1.949 173.062 174.900 0.186 0.000 1.312 532 G CA -0.246 44.971 45.100 0.195 0.000 0.922 532 G HN 0.393 nan 8.290 nan 0.000 0.480 533 Y N -2.308 117.989 120.300 -0.006 0.000 2.562 533 Y HA 0.870 5.443 4.550 0.039 0.000 0.345 533 Y C -0.575 175.286 175.900 -0.064 0.000 1.045 533 Y CA -1.885 56.130 58.100 -0.141 0.000 1.028 533 Y CB 2.115 40.314 38.460 -0.435 0.000 1.297 533 Y HN 0.714 nan 8.280 nan 0.000 0.463 534 M N 4.346 124.008 119.600 0.102 0.000 2.072 534 M HA 0.578 5.081 4.480 0.039 0.000 0.331 534 M C -2.998 173.379 176.300 0.128 0.000 1.004 534 M CA -2.962 52.373 55.300 0.059 0.000 0.952 534 M CB 0.811 33.432 32.600 0.036 0.000 1.511 534 M HN 0.495 nan 8.290 nan 0.000 0.422 535 P HA 0.308 nan 4.420 nan 0.000 0.276 535 P C -1.186 176.160 177.300 0.078 0.000 1.253 535 P CA -0.204 62.981 63.100 0.142 0.000 0.766 535 P CB 0.264 32.053 31.700 0.149 0.000 0.845 536 I N 5.294 125.904 120.570 0.066 0.000 2.339 536 I HA 0.290 4.483 4.170 0.039 0.000 0.290 536 I C -2.073 174.069 176.117 0.042 0.000 0.994 536 I CA -3.314 58.014 61.300 0.046 0.000 1.191 536 I CB 0.679 38.704 38.000 0.041 0.000 1.343 536 I HN 0.164 nan 8.210 nan 0.000 0.458 537 P HA 0.079 nan 4.420 nan 0.000 0.264 537 P C -0.480 176.837 177.300 0.028 0.000 1.183 537 P CA 0.021 63.139 63.100 0.030 0.000 0.763 537 P CB 0.566 32.279 31.700 0.023 0.000 0.807 538 V N 3.439 123.369 119.914 0.027 0.000 2.384 538 V HA 0.631 4.774 4.120 0.039 0.000 0.287 538 V C 0.809 176.916 176.094 0.022 0.000 1.020 538 V CA -0.221 62.094 62.300 0.025 0.000 0.850 538 V CB 1.417 33.255 31.823 0.024 0.000 0.987 538 V HN 0.770 nan 8.190 nan 0.000 0.436 539 G N 2.623 111.436 108.800 0.021 0.000 2.537 539 G HA2 0.654 4.637 3.960 0.039 0.000 0.323 539 G HA3 0.654 4.637 3.960 0.039 0.000 0.323 539 G C -1.328 173.585 174.900 0.022 0.000 1.207 539 G CA -0.684 44.428 45.100 0.020 0.000 0.976 539 G HN 0.625 nan 8.290 nan 0.000 0.487 540 V N -0.157 119.770 119.914 0.022 0.000 2.540 540 V HA 0.791 4.935 4.120 0.039 0.000 0.302 540 V C -0.243 175.867 176.094 0.026 0.000 1.035 540 V CA -0.502 61.813 62.300 0.026 0.000 0.873 540 V CB 1.353 33.192 31.823 0.026 0.000 0.992 540 V HN 1.270 nan 8.190 nan 0.000 0.428 541 A N 4.643 127.481 122.820 0.031 0.000 2.318 541 A HA 1.032 5.376 4.320 0.039 0.000 0.317 541 A C 0.106 177.716 177.584 0.043 0.000 1.159 541 A CA 0.211 52.267 52.037 0.032 0.000 0.799 541 A CB 1.286 20.302 19.000 0.027 0.000 1.194 541 A HN 2.075 nan 8.150 nan 0.000 0.479 542 G N 1.710 110.535 108.800 0.041 0.000 2.320 542 G HA2 0.513 4.497 3.960 0.039 0.000 0.297 542 G HA3 0.513 4.497 3.960 0.039 0.000 0.297 542 G C -3.498 171.421 174.900 0.033 0.000 1.344 542 G CA -0.576 44.552 45.100 0.048 0.000 0.851 542 G HN 0.634 nan 8.290 nan 0.000 0.567 543 P HA 0.467 nan 4.420 nan 0.000 0.275 543 P C -0.714 176.620 177.300 0.056 0.000 1.227 543 P CA -0.395 62.727 63.100 0.037 0.000 0.781 543 P CB 1.731 33.437 31.700 0.010 0.000 0.906 544 L N 4.575 125.858 121.223 0.101 0.000 2.262 544 L HA 0.317 4.681 4.340 0.039 0.000 0.288 544 L C -0.718 176.242 176.870 0.151 0.000 1.035 544 L CA -0.464 54.451 54.840 0.126 0.000 0.820 544 L CB 0.030 42.184 42.059 0.159 0.000 1.204 544 L HN 0.341 nan 8.230 nan 0.000 0.424 545 C N 6.357 125.712 119.300 0.092 0.000 2.252 545 C HA 0.536 5.019 4.460 0.039 0.000 0.342 545 C C -0.007 175.046 174.990 0.104 0.000 1.110 545 C CA -0.672 58.388 59.018 0.070 0.000 1.581 545 C CB -1.110 26.650 27.740 0.033 0.000 2.087 545 C HN 0.702 nan 8.230 nan 0.000 0.500 546 L N 4.257 125.586 121.223 0.177 0.000 2.376 546 L HA 0.454 4.817 4.340 0.039 0.000 0.275 546 L C -0.233 176.758 176.870 0.202 0.000 0.987 546 L CA 0.545 55.508 54.840 0.205 0.000 0.828 546 L CB 0.800 43.029 42.059 0.283 0.000 1.249 546 L HN 0.662 nan 8.230 nan 0.000 0.409 547 D N 4.519 124.990 120.400 0.118 0.000 2.697 547 D HA -0.252 4.411 4.640 0.039 0.000 0.235 547 D C 0.376 176.716 176.300 0.066 0.000 1.167 547 D CA 1.252 55.307 54.000 0.091 0.000 0.656 547 D CB -0.448 40.415 40.800 0.106 0.000 1.025 547 D HN 0.970 nan 8.370 nan 0.000 0.419 548 E N -2.305 117.918 120.200 0.038 0.000 3.496 548 E HA -0.283 4.091 4.350 0.039 0.000 0.300 548 E C 0.181 176.755 176.600 -0.043 0.000 0.877 548 E CA 1.371 57.772 56.400 0.002 0.000 1.050 548 E CB -0.458 29.244 29.700 0.004 0.000 1.532 548 E HN 0.541 nan 8.360 nan 0.000 0.447 549 K N 0.148 120.504 120.400 -0.072 0.000 2.280 549 K HA 0.541 4.884 4.320 0.039 0.000 0.234 549 K C -0.357 176.051 176.600 -0.321 0.000 1.028 549 K CA -0.661 55.465 56.287 -0.268 0.000 0.882 549 K CB 1.319 33.530 32.500 -0.483 0.000 1.194 549 K HN -0.058 nan 8.250 nan 0.000 0.458 550 E N 1.334 121.238 120.200 -0.492 0.000 2.255 550 E HA 0.252 4.625 4.350 0.039 0.000 0.256 550 E C -1.389 174.952 176.600 -0.432 0.000 0.887 550 E CA -0.364 55.848 56.400 -0.314 0.000 0.782 550 E CB 1.032 30.639 29.700 -0.154 0.000 1.214 550 E HN 0.260 nan 8.360 nan 0.000 0.417 551 F N 1.538 121.490 119.950 0.002 0.000 2.422 551 F HA 0.257 4.807 4.527 0.039 0.000 0.333 551 F C 0.741 176.543 175.800 0.003 0.000 1.095 551 F CA -0.879 57.122 58.000 0.002 0.000 1.038 551 F CB 1.230 40.232 39.000 0.002 0.000 1.156 551 F HN 0.116 nan 8.300 nan 0.000 0.483 552 Q N 3.046 122.949 119.800 0.171 0.000 2.400 552 Q HA 0.342 4.705 4.340 0.039 0.000 0.255 552 Q C -0.818 175.247 176.000 0.108 0.000 1.008 552 Q CA -0.493 55.373 55.803 0.105 0.000 0.841 552 Q CB 1.845 30.619 28.738 0.060 0.000 1.220 552 Q HN 0.390 nan 8.270 nan 0.000 0.474 553 V N 5.891 125.858 119.914 0.088 0.000 2.385 553 V HA 0.255 4.398 4.120 0.039 0.000 0.269 553 V C -1.914 174.204 176.094 0.039 0.000 1.043 553 V CA -1.564 60.772 62.300 0.059 0.000 0.906 553 V CB 0.992 32.839 31.823 0.040 0.000 0.995 553 V HN 0.534 nan 8.190 nan 0.000 0.467 554 P HA 0.368 nan 4.420 nan 0.000 0.280 554 P C -0.923 176.392 177.300 0.025 0.000 1.244 554 P CA -0.335 62.781 63.100 0.028 0.000 0.784 554 P CB 0.953 32.668 31.700 0.026 0.000 0.913 555 M N 2.446 122.060 119.600 0.023 0.000 2.106 555 M HA 0.449 4.953 4.480 0.039 0.000 0.288 555 M C -0.441 175.873 176.300 0.023 0.000 0.941 555 M CA -0.640 54.673 55.300 0.021 0.000 0.934 555 M CB 2.427 35.035 32.600 0.013 0.000 1.551 555 M HN 0.281 nan 8.290 nan 0.000 0.437 556 A N 2.657 125.494 122.820 0.028 0.000 2.316 556 A HA 0.728 5.071 4.320 0.039 0.000 0.311 556 A C -0.168 177.431 177.584 0.025 0.000 1.339 556 A CA -0.198 51.857 52.037 0.029 0.000 0.960 556 A CB 0.470 19.492 19.000 0.036 0.000 1.152 556 A HN 0.743 nan 8.150 nan 0.000 0.547 557 T N 0.182 114.749 114.554 0.021 0.000 2.821 557 T HA 0.558 4.931 4.350 0.039 0.000 0.306 557 T C 0.447 175.156 174.700 0.016 0.000 1.313 557 T CA 0.371 62.481 62.100 0.016 0.000 1.012 557 T CB 1.443 70.318 68.868 0.012 0.000 1.298 557 T HN 0.951 nan 8.240 nan 0.000 0.502 558 T N -0.804 113.758 114.554 0.013 0.000 3.200 558 T HA 0.376 4.749 4.350 0.039 0.000 0.284 558 T C 0.179 174.884 174.700 0.009 0.000 1.009 558 T CA -0.338 61.768 62.100 0.011 0.000 0.907 558 T CB -0.068 68.805 68.868 0.009 0.000 1.120 558 T HN 0.584 nan 8.240 nan 0.000 0.534 559 E N 1.589 121.796 120.200 0.012 0.000 2.089 559 E HA 0.507 4.880 4.350 0.039 0.000 0.284 559 E C 0.619 177.228 176.600 0.015 0.000 1.023 559 E CA -0.782 55.626 56.400 0.014 0.000 0.819 559 E CB 0.365 30.076 29.700 0.019 0.000 1.076 559 E HN 0.467 nan 8.360 nan 0.000 0.396 560 G N 2.776 111.582 108.800 0.011 0.000 2.353 560 G HA2 0.042 4.025 3.960 0.039 0.000 0.239 560 G HA3 0.042 4.025 3.960 0.039 0.000 0.239 560 G C 0.537 175.446 174.900 0.015 0.000 1.295 560 G CA 0.052 45.158 45.100 0.011 0.000 0.884 560 G HN 0.951 nan 8.290 nan 0.000 0.537 561 C N 1.036 120.346 119.300 0.016 0.000 5.102 561 C HA -0.180 4.303 4.460 0.039 0.000 0.236 561 C C 2.224 177.234 174.990 0.034 0.000 1.316 561 C CA 0.458 59.488 59.018 0.020 0.000 1.394 561 C CB -2.087 25.661 27.740 0.014 0.000 1.902 561 C HN 0.817 nan 8.230 nan 0.000 0.644 562 L N 1.484 122.730 121.223 0.039 0.000 2.027 562 L HA 0.021 4.384 4.340 0.039 0.000 0.206 562 L C 2.278 179.175 176.870 0.045 0.000 1.074 562 L CA 2.565 57.439 54.840 0.057 0.000 0.745 562 L CB -0.600 41.486 42.059 0.044 0.000 0.898 562 L HN 0.321 nan 8.230 nan 0.000 0.433 563 V N 0.128 120.060 119.914 0.030 0.000 2.358 563 V HA -0.240 3.903 4.120 0.039 0.000 0.246 563 V C 2.789 178.900 176.094 0.027 0.000 1.047 563 V CA 1.476 63.791 62.300 0.025 0.000 1.035 563 V CB -1.440 30.395 31.823 0.020 0.000 0.658 563 V HN 0.582 nan 8.190 nan 0.000 0.452 564 A N -0.488 122.348 122.820 0.026 0.000 1.858 564 A HA -0.242 4.101 4.320 0.039 0.000 0.216 564 A C 2.573 180.174 177.584 0.029 0.000 1.190 564 A CA 2.278 54.330 52.037 0.024 0.000 0.617 564 A CB -0.952 18.059 19.000 0.019 0.000 0.827 564 A HN 0.462 nan 8.150 nan 0.000 0.443 565 S N -1.057 114.665 115.700 0.037 0.000 2.370 565 S HA -0.151 4.342 4.470 0.039 0.000 0.226 565 S C 2.028 176.662 174.600 0.057 0.000 1.033 565 S CA 2.239 60.467 58.200 0.046 0.000 1.011 565 S CB -0.580 62.657 63.200 0.062 0.000 0.852 565 S HN 0.632 nan 8.310 nan 0.000 0.457 566 T N 1.607 116.197 114.554 0.059 0.000 2.821 566 T HA -0.025 4.349 4.350 0.039 0.000 0.267 566 T C 1.734 176.455 174.700 0.035 0.000 1.046 566 T CA 1.337 63.465 62.100 0.047 0.000 1.139 566 T CB -0.567 68.316 68.868 0.025 0.000 0.871 566 T HN 0.451 nan 8.240 nan 0.000 0.454 567 N N 1.129 119.847 118.700 0.031 0.000 2.120 567 N HA -0.071 4.692 4.740 0.039 0.000 0.188 567 N C 1.912 177.438 175.510 0.026 0.000 1.024 567 N CA 1.130 54.196 53.050 0.027 0.000 0.852 567 N CB -0.150 38.351 38.487 0.024 0.000 1.003 567 N HN 0.288 nan 8.380 nan 0.000 0.424 568 R N -0.458 120.057 120.500 0.025 0.000 2.096 568 R HA -0.046 4.318 4.340 0.039 0.000 0.235 568 R C 2.086 178.399 176.300 0.022 0.000 1.127 568 R CA 1.502 57.614 56.100 0.021 0.000 0.968 568 R CB -0.634 29.678 30.300 0.019 0.000 0.861 568 R HN 0.307 nan 8.270 nan 0.000 0.440 569 G N 0.328 109.145 108.800 0.028 0.000 2.446 569 G HA2 -0.293 3.690 3.960 0.039 0.000 0.217 569 G HA3 -0.293 3.690 3.960 0.039 0.000 0.217 569 G C 1.535 176.449 174.900 0.024 0.000 1.168 569 G CA 1.008 46.125 45.100 0.027 0.000 0.771 569 G HN 0.439 nan 8.290 nan 0.000 0.551 570 C N -0.034 119.282 119.300 0.027 0.000 2.413 570 C HA 0.033 4.517 4.460 0.039 0.000 0.277 570 C C 2.841 177.846 174.990 0.025 0.000 1.265 570 C CA 0.992 60.028 59.018 0.029 0.000 1.752 570 C CB -0.725 27.036 27.740 0.036 0.000 1.998 570 C HN 0.524 nan 8.230 nan 0.000 0.489 571 R N 1.752 122.265 120.500 0.022 0.000 2.073 571 R HA 0.017 4.380 4.340 0.039 0.000 0.229 571 R C 2.102 178.411 176.300 0.015 0.000 1.120 571 R CA 1.962 58.072 56.100 0.018 0.000 0.967 571 R CB -0.701 29.608 30.300 0.016 0.000 0.862 571 R HN 0.400 nan 8.270 nan 0.000 0.436 572 A N 0.259 123.088 122.820 0.015 0.000 1.969 572 A HA -0.023 4.320 4.320 0.039 0.000 0.218 572 A C 2.237 179.828 177.584 0.013 0.000 1.169 572 A CA 1.333 53.377 52.037 0.013 0.000 0.635 572 A CB -0.494 18.512 19.000 0.011 0.000 0.810 572 A HN 0.371 nan 8.150 nan 0.000 0.445 573 I N -0.436 120.142 120.570 0.014 0.000 2.252 573 I HA -0.176 4.017 4.170 0.039 0.000 0.245 573 I C 2.696 178.824 176.117 0.018 0.000 1.102 573 I CA 1.119 62.427 61.300 0.014 0.000 1.385 573 I CB -0.525 37.485 38.000 0.017 0.000 1.064 573 I HN 0.396 nan 8.210 nan 0.000 0.414 574 G N 0.888 109.700 108.800 0.019 0.000 2.422 574 G HA2 -0.180 3.804 3.960 0.039 0.000 0.218 574 G HA3 -0.180 3.804 3.960 0.039 0.000 0.218 574 G C 1.593 176.501 174.900 0.014 0.000 1.146 574 G CA 0.407 45.517 45.100 0.018 0.000 0.769 574 G HN 0.302 nan 8.290 nan 0.000 0.547 575 L N 0.859 122.090 121.223 0.013 0.000 2.610 575 L HA 0.189 4.552 4.340 0.039 0.000 0.232 575 L C 2.384 179.262 176.870 0.014 0.000 1.149 575 L CA 0.378 55.225 54.840 0.012 0.000 0.872 575 L CB 0.197 42.263 42.059 0.011 0.000 0.992 575 L HN 0.317 nan 8.230 nan 0.000 0.447 576 G N -1.528 107.281 108.800 0.016 0.000 3.324 576 G HA2 0.359 4.342 3.960 0.039 0.000 0.251 576 G HA3 0.359 4.342 3.960 0.039 0.000 0.251 576 G C 1.085 175.998 174.900 0.022 0.000 1.072 576 G CA 0.464 45.575 45.100 0.019 0.000 0.787 576 G HN 0.361 nan 8.290 nan 0.000 0.537 577 G N -1.273 107.539 108.800 0.020 0.000 2.163 577 G HA2 0.348 4.331 3.960 0.039 0.000 0.213 577 G HA3 0.348 4.331 3.960 0.039 0.000 0.213 577 G C 0.868 175.782 174.900 0.023 0.000 0.991 577 G CA 0.482 45.594 45.100 0.021 0.000 0.653 577 G HN 2.093 nan 8.290 nan 0.000 0.518 578 G N -1.200 107.615 108.800 0.024 0.000 2.712 578 G HA2 0.490 4.473 3.960 0.039 0.000 0.683 578 G HA3 0.490 4.473 3.960 0.039 0.000 0.683 578 G C 0.065 174.983 174.900 0.031 0.000 1.320 578 G CA 0.781 45.899 45.100 0.030 0.000 0.847 578 G HN 2.222 nan 8.290 nan 0.000 0.553 579 A N -0.252 122.591 122.820 0.038 0.000 2.330 579 A HA 0.971 5.314 4.320 0.039 0.000 0.329 579 A C 0.315 177.924 177.584 0.042 0.000 1.135 579 A CA 0.463 52.518 52.037 0.030 0.000 0.817 579 A CB 1.660 20.674 19.000 0.024 0.000 1.269 579 A HN 1.954 nan 8.150 nan 0.000 0.469 580 S N 0.289 116.010 115.700 0.035 0.000 2.526 580 S HA 0.783 5.276 4.470 0.039 0.000 0.293 580 S C -0.348 174.270 174.600 0.031 0.000 1.092 580 S CA -0.368 57.857 58.200 0.041 0.000 0.980 580 S CB 1.588 64.816 63.200 0.046 0.000 1.048 580 S HN 1.361 nan 8.310 nan 0.000 0.483 581 S N 2.281 117.999 115.700 0.030 0.000 2.588 581 S HA 0.825 5.318 4.470 0.039 0.000 0.275 581 S C -1.494 173.116 174.600 0.016 0.000 1.130 581 S CA -1.145 57.065 58.200 0.016 0.000 0.855 581 S CB 1.630 64.832 63.200 0.004 0.000 1.116 581 S HN 0.553 nan 8.310 nan 0.000 0.472 582 R N 0.713 121.217 120.500 0.007 0.000 2.604 582 R HA 0.476 4.839 4.340 0.039 0.000 0.281 582 R C -1.619 174.678 176.300 -0.005 0.000 1.020 582 R CA -0.692 55.410 56.100 0.004 0.000 0.899 582 R CB 1.930 32.233 30.300 0.006 0.000 1.205 582 R HN 0.609 nan 8.270 nan 0.000 0.450 583 V N 5.000 124.911 119.914 -0.006 0.000 2.408 583 V HA 0.139 4.282 4.120 0.039 0.000 0.267 583 V C 1.621 177.708 176.094 -0.013 0.000 1.047 583 V CA 0.013 62.306 62.300 -0.011 0.000 0.937 583 V CB 0.838 32.655 31.823 -0.010 0.000 0.999 583 V HN 0.631 nan 8.190 nan 0.000 0.472 584 L N 4.062 125.272 121.223 -0.021 0.000 2.307 584 L HA 0.477 4.840 4.340 0.039 0.000 0.211 584 L C 0.921 177.775 176.870 -0.026 0.000 1.099 584 L CA 0.859 55.684 54.840 -0.027 0.000 0.816 584 L CB -0.050 41.984 42.059 -0.041 0.000 0.952 584 L HN 0.757 nan 8.230 nan 0.000 0.455 585 A N -0.824 121.981 122.820 -0.024 0.000 2.601 585 A HA 0.607 4.951 4.320 0.039 0.000 0.291 585 A C -1.982 175.596 177.584 -0.010 0.000 1.075 585 A CA -0.443 51.583 52.037 -0.018 0.000 0.671 585 A CB 1.768 20.751 19.000 -0.029 0.000 1.277 585 A HN -0.041 nan 8.150 nan 0.000 0.417 586 D N -0.868 119.532 120.400 -0.000 0.000 2.966 586 D HA 0.586 5.250 4.640 0.039 0.000 0.222 586 D C -0.593 175.720 176.300 0.022 0.000 1.292 586 D CA 0.973 54.977 54.000 0.007 0.000 0.907 586 D CB 1.791 42.594 40.800 0.005 0.000 1.621 586 D HN 1.705 nan 8.370 nan 0.000 0.557 587 G N 2.347 111.164 108.800 0.028 0.000 1.834 587 G HA2 0.370 4.353 3.960 0.039 0.000 0.247 587 G HA3 0.370 4.353 3.960 0.039 0.000 0.247 587 G C -0.942 173.992 174.900 0.057 0.000 1.691 587 G CA -0.921 44.210 45.100 0.051 0.000 0.922 587 G HN 0.396 nan 8.290 nan 0.000 0.682 588 M N 2.390 122.035 119.600 0.075 0.000 2.240 588 M HA 0.725 5.229 4.480 0.039 0.000 0.333 588 M C 0.863 177.234 176.300 0.117 0.000 1.110 588 M CA -0.125 55.225 55.300 0.084 0.000 1.173 588 M CB 0.776 33.427 32.600 0.085 0.000 1.458 588 M HN 0.939 nan 8.290 nan 0.000 0.458 589 T N 1.609 116.232 114.554 0.115 0.000 2.916 589 T HA 0.884 5.257 4.350 0.039 0.000 0.292 589 T C -0.991 173.813 174.700 0.173 0.000 1.064 589 T CA -1.037 61.154 62.100 0.151 0.000 1.011 589 T CB 1.768 70.700 68.868 0.107 0.000 1.152 589 T HN 0.761 nan 8.240 nan 0.000 0.510 590 R N -0.298 120.346 120.500 0.241 0.000 2.604 590 R HA 0.687 5.050 4.340 0.039 0.000 0.281 590 R C -0.502 175.997 176.300 0.331 0.000 1.020 590 R CA -0.429 55.815 56.100 0.240 0.000 0.899 590 R CB 1.755 32.180 30.300 0.209 0.000 1.205 590 R HN 1.131 nan 8.270 nan 0.000 0.450 591 G N 4.798 113.781 108.800 0.305 0.000 4.782 591 G HA2 0.320 4.303 3.960 0.039 0.000 0.327 591 G HA3 0.320 4.303 3.960 0.039 0.000 0.327 591 G C -2.514 172.603 174.900 0.361 0.000 1.466 591 G CA -1.194 44.143 45.100 0.394 0.000 1.017 591 G HN 0.479 nan 8.290 nan 0.000 0.543 592 P HA 0.120 nan 4.420 nan 0.000 0.269 592 P C -0.136 177.238 177.300 0.124 0.000 1.217 592 P CA -0.072 63.152 63.100 0.207 0.000 0.783 592 P CB 2.200 34.023 31.700 0.204 0.000 0.898 593 V N 3.400 123.315 119.914 0.002 0.000 2.384 593 V HA 0.403 4.546 4.120 0.039 0.000 0.287 593 V C -0.163 175.808 176.094 -0.204 0.000 1.020 593 V CA -0.726 61.407 62.300 -0.278 0.000 0.850 593 V CB 1.281 32.891 31.823 -0.356 0.000 0.987 593 V HN 0.441 nan 8.190 nan 0.000 0.436 594 V N 5.442 125.211 119.914 -0.241 0.000 2.881 594 V HA 0.836 4.979 4.120 0.039 0.000 0.316 594 V C -0.541 175.446 176.094 -0.177 0.000 1.070 594 V CA -0.933 61.281 62.300 -0.144 0.000 0.976 594 V CB 1.971 33.751 31.823 -0.073 0.000 1.038 594 V HN 1.018 nan 8.190 nan 0.000 0.446 595 R N 2.901 123.336 120.500 -0.108 0.000 2.744 595 R HA 0.854 5.217 4.340 0.039 0.000 0.279 595 R C -1.636 174.627 176.300 -0.060 0.000 0.977 595 R CA -0.857 55.187 56.100 -0.094 0.000 0.906 595 R CB 1.844 32.099 30.300 -0.074 0.000 1.197 595 R HN 0.644 nan 8.270 nan 0.000 0.463 596 L N 1.488 122.672 121.223 -0.065 0.000 2.298 596 L HA 0.492 4.856 4.340 0.039 0.000 0.268 596 L C -1.686 175.167 176.870 -0.029 0.000 1.010 596 L CA -2.296 52.516 54.840 -0.048 0.000 0.812 596 L CB 1.829 43.838 42.059 -0.083 0.000 1.331 596 L HN 0.442 nan 8.230 nan 0.000 0.450 597 P HA -0.070 nan 4.420 nan 0.000 0.218 597 P C -0.398 176.896 177.300 -0.011 0.000 1.148 597 P CA 1.292 64.388 63.100 -0.007 0.000 0.822 597 P CB 0.269 31.970 31.700 0.002 0.000 0.784 598 R N -2.908 117.582 120.500 -0.017 0.000 2.774 598 R HA 0.522 4.885 4.340 0.039 0.000 0.272 598 R C 0.765 177.050 176.300 -0.026 0.000 1.000 598 R CA -0.514 55.577 56.100 -0.015 0.000 0.906 598 R CB 0.504 30.800 30.300 -0.007 0.000 1.227 598 R HN -0.183 nan 8.270 nan 0.000 0.468 599 A N 0.384 123.192 122.820 -0.020 0.000 2.024 599 A HA -0.142 4.202 4.320 0.039 0.000 0.220 599 A C 1.779 179.348 177.584 -0.025 0.000 1.164 599 A CA 1.704 53.727 52.037 -0.023 0.000 0.643 599 A CB -0.646 18.347 19.000 -0.011 0.000 0.806 599 A HN 0.720 nan 8.150 nan 0.000 0.451 600 C N -0.225 119.065 119.300 -0.017 0.000 2.429 600 C HA -0.085 4.398 4.460 0.039 0.000 0.277 600 C C 2.310 177.287 174.990 -0.022 0.000 1.262 600 C CA 0.987 59.998 59.018 -0.011 0.000 1.733 600 C CB -1.025 26.715 27.740 0.001 0.000 2.010 600 C HN 0.628 nan 8.230 nan 0.000 0.483 601 D N 1.295 121.674 120.400 -0.034 0.000 2.117 601 D HA -0.095 4.568 4.640 0.039 0.000 0.198 601 D C 2.314 178.528 176.300 -0.144 0.000 0.982 601 D CA 1.901 55.862 54.000 -0.066 0.000 0.828 601 D CB -0.693 40.077 40.800 -0.051 0.000 0.967 601 D HN 0.618 nan 8.370 nan 0.000 0.464 602 S N 1.208 116.835 115.700 -0.122 0.000 2.368 602 S HA -0.071 4.422 4.470 0.039 0.000 0.225 602 S C 2.245 176.769 174.600 -0.126 0.000 1.030 602 S CA 1.181 59.293 58.200 -0.148 0.000 0.999 602 S CB -0.443 62.693 63.200 -0.107 0.000 0.844 602 S HN 0.254 nan 8.310 nan 0.000 0.459 603 A N 1.816 124.589 122.820 -0.077 0.000 1.940 603 A HA -0.149 4.194 4.320 0.039 0.000 0.219 603 A C 2.202 179.762 177.584 -0.041 0.000 1.176 603 A CA 1.722 53.730 52.037 -0.049 0.000 0.631 603 A CB -0.882 18.104 19.000 -0.025 0.000 0.814 603 A HN 0.715 nan 8.150 nan 0.000 0.446 604 E N -0.275 119.893 120.200 -0.053 0.000 2.077 604 E HA -0.131 4.242 4.350 0.039 0.000 0.193 604 E C 1.869 178.433 176.600 -0.059 0.000 0.989 604 E CA 1.432 57.827 56.400 -0.008 0.000 0.800 604 E CB -0.111 29.605 29.700 0.026 0.000 0.746 604 E HN 0.342 nan 8.360 nan 0.000 0.452 605 V N 1.635 121.349 119.914 -0.334 0.000 2.343 605 V HA -0.247 3.897 4.120 0.039 0.000 0.247 605 V C 2.527 178.586 176.094 -0.057 0.000 1.051 605 V CA 2.021 64.038 62.300 -0.471 0.000 1.036 605 V CB -0.552 30.855 31.823 -0.693 0.000 0.654 605 V HN 0.276 nan 8.190 nan 0.000 0.451 606 K N 0.399 120.763 120.400 -0.060 0.000 2.097 606 K HA -0.183 4.161 4.320 0.039 0.000 0.206 606 K C 2.134 178.759 176.600 0.041 0.000 1.049 606 K CA 1.651 57.931 56.287 -0.012 0.000 0.933 606 K CB -0.258 32.215 32.500 -0.045 0.000 0.717 606 K HN 0.440 nan 8.250 nan 0.000 0.442 607 A N 0.112 122.970 122.820 0.064 0.000 1.968 607 A HA -0.158 4.186 4.320 0.039 0.000 0.217 607 A C 1.854 179.522 177.584 0.140 0.000 1.169 607 A CA 1.035 53.119 52.037 0.078 0.000 0.638 607 A CB -0.833 18.214 19.000 0.077 0.000 0.812 607 A HN 0.697 nan 8.150 nan 0.000 0.446 608 W N 0.499 121.819 121.300 0.035 0.000 2.381 608 W HA -0.064 4.602 4.660 0.010 0.000 0.301 608 W C 1.534 178.081 176.519 0.048 0.000 1.205 608 W CA 1.579 58.974 57.345 0.084 0.000 1.285 608 W CB -0.117 29.486 29.460 0.238 0.000 1.133 608 W HN 0.221 nan 8.180 nan 0.000 0.521 609 L N 0.462 121.895 121.223 0.351 0.000 2.362 609 L HA -0.113 4.250 4.340 0.039 0.000 0.219 609 L C 1.862 178.746 176.870 0.024 0.000 1.134 609 L CA 1.231 56.185 54.840 0.190 0.000 0.807 609 L CB -0.566 41.619 42.059 0.211 0.000 0.927 609 L HN 0.036 nan 8.230 nan 0.000 0.447 610 E N -0.715 119.475 120.200 -0.016 0.000 2.442 610 E HA -0.020 4.353 4.350 0.039 0.000 0.195 610 E C 0.805 177.340 176.600 -0.107 0.000 1.030 610 E CA 0.220 56.576 56.400 -0.073 0.000 0.869 610 E CB 0.229 29.892 29.700 -0.061 0.000 0.857 610 E HN 0.450 nan 8.360 nan 0.000 0.505 611 T N -1.484 112.986 114.554 -0.141 0.000 2.898 611 T HA 0.029 4.402 4.350 0.039 0.000 0.301 611 T C 1.304 175.904 174.700 -0.166 0.000 1.049 611 T CA -0.011 61.987 62.100 -0.170 0.000 1.095 611 T CB 1.786 70.509 68.868 -0.243 0.000 0.976 611 T HN -0.065 nan 8.240 nan 0.000 0.539 612 S N 0.999 116.627 115.700 -0.121 0.000 2.370 612 S HA -0.179 4.315 4.470 0.039 0.000 0.226 612 S C 1.719 176.269 174.600 -0.084 0.000 1.033 612 S CA 1.653 59.811 58.200 -0.070 0.000 1.011 612 S CB -0.595 62.573 63.200 -0.053 0.000 0.852 612 S HN 0.806 nan 8.310 nan 0.000 0.457 613 E N 0.690 120.786 120.200 -0.173 0.000 2.072 613 E HA 0.131 4.504 4.350 0.039 0.000 0.190 613 E C 2.298 178.661 176.600 -0.395 0.000 0.982 613 E CA 1.061 57.335 56.400 -0.210 0.000 0.803 613 E CB -1.037 28.551 29.700 -0.186 0.000 0.755 613 E HN 0.593 nan 8.360 nan 0.000 0.453 614 G N 0.197 108.551 108.800 -0.743 0.000 2.421 614 G HA2 -0.290 3.694 3.960 0.039 0.000 0.216 614 G HA3 -0.290 3.694 3.960 0.039 0.000 0.216 614 G C 1.477 175.981 174.900 -0.661 0.000 1.171 614 G CA 0.673 44.906 45.100 -1.445 0.000 0.775 614 G HN 0.273 nan 8.290 nan 0.000 0.543 615 F N 2.558 122.251 119.950 -0.428 0.000 2.095 615 F HA -0.001 4.546 4.527 0.034 0.000 0.298 615 F C 2.814 178.539 175.800 -0.124 0.000 1.104 615 F CA 1.342 59.221 58.000 -0.201 0.000 1.232 615 F CB -0.453 38.454 39.000 -0.155 0.000 0.987 615 F HN 0.237 nan 8.300 nan 0.000 0.475 616 A N -0.066 122.674 122.820 -0.133 0.000 1.892 616 A HA -0.203 4.140 4.320 0.039 0.000 0.218 616 A C 2.321 179.812 177.584 -0.155 0.000 1.188 616 A CA 2.382 54.330 52.037 -0.148 0.000 0.631 616 A CB -1.477 17.494 19.000 -0.048 0.000 0.822 616 A HN 0.295 nan 8.150 nan 0.000 0.447 617 V N 0.290 120.129 119.914 -0.125 0.000 2.427 617 V HA -0.204 3.940 4.120 0.039 0.000 0.248 617 V C 2.376 178.492 176.094 0.037 0.000 1.051 617 V CA 1.580 63.878 62.300 -0.004 0.000 1.048 617 V CB -0.608 31.244 31.823 0.049 0.000 0.666 617 V HN 0.510 nan 8.190 nan 0.000 0.456 618 I N 0.296 120.860 120.570 -0.010 0.000 2.353 618 I HA -0.159 4.034 4.170 0.039 0.000 0.248 618 I C 2.390 178.498 176.117 -0.014 0.000 1.119 618 I CA 1.551 62.895 61.300 0.073 0.000 1.417 618 I CB -1.129 36.948 38.000 0.128 0.000 1.078 618 I HN 0.368 nan 8.210 nan 0.000 0.421 619 K N 1.163 121.388 120.400 -0.292 0.000 2.147 619 K HA -0.219 4.124 4.320 0.039 0.000 0.205 619 K C 2.079 178.660 176.600 -0.032 0.000 1.049 619 K CA 1.506 57.617 56.287 -0.293 0.000 0.936 619 K CB 0.004 32.136 32.500 -0.613 0.000 0.722 619 K HN 0.280 nan 8.250 nan 0.000 0.446 620 E N -0.254 119.934 120.200 -0.021 0.000 2.046 620 E HA -0.155 4.218 4.350 0.039 0.000 0.190 620 E C 1.810 178.454 176.600 0.072 0.000 0.982 620 E CA 0.925 57.344 56.400 0.032 0.000 0.800 620 E CB -0.113 29.604 29.700 0.028 0.000 0.756 620 E HN 0.444 nan 8.360 nan 0.000 0.449 621 A N 0.528 123.407 122.820 0.099 0.000 1.933 621 A HA -0.168 4.175 4.320 0.039 0.000 0.218 621 A C 1.966 179.615 177.584 0.108 0.000 1.175 621 A CA 1.129 53.228 52.037 0.103 0.000 0.628 621 A CB -0.798 18.280 19.000 0.130 0.000 0.814 621 A HN 0.481 nan 8.150 nan 0.000 0.444 622 F N 1.075 121.029 119.950 0.006 0.000 2.113 622 F HA -0.153 4.398 4.527 0.040 0.000 0.297 622 F C 1.600 177.400 175.800 0.001 0.000 1.103 622 F CA 2.064 60.062 58.000 -0.003 0.000 1.248 622 F CB -0.090 38.932 39.000 0.038 0.000 0.999 622 F HN 0.226 nan 8.300 nan 0.000 0.475 623 D N -0.427 120.124 120.400 0.252 0.000 2.264 623 D HA -0.123 4.540 4.640 0.039 0.000 0.208 623 D C 2.336 178.650 176.300 0.024 0.000 0.966 623 D CA 1.305 55.395 54.000 0.150 0.000 0.864 623 D CB -0.442 40.441 40.800 0.139 0.000 0.933 623 D HN 0.353 nan 8.370 nan 0.000 0.499 624 S N -0.741 114.961 115.700 0.003 0.000 2.607 624 S HA -0.066 4.427 4.470 0.039 0.000 0.224 624 S C 1.772 176.337 174.600 -0.058 0.000 0.969 624 S CA 0.989 59.177 58.200 -0.021 0.000 0.927 624 S CB -0.457 62.741 63.200 -0.003 0.000 0.772 624 S HN 0.311 nan 8.310 nan 0.000 0.533 625 T N -2.033 112.458 114.554 -0.106 0.000 3.044 625 T HA 0.293 4.666 4.350 0.039 0.000 0.255 625 T C 0.668 175.302 174.700 -0.110 0.000 1.073 625 T CA 0.399 62.421 62.100 -0.130 0.000 1.125 625 T CB -0.044 68.693 68.868 -0.218 0.000 0.908 625 T HN 0.351 nan 8.240 nan 0.000 0.480 626 S N -0.926 114.712 115.700 -0.103 0.000 2.550 626 S HA 0.485 4.978 4.470 0.039 0.000 0.270 626 S C 0.349 174.888 174.600 -0.102 0.000 1.145 626 S CA -0.902 57.250 58.200 -0.080 0.000 0.852 626 S CB 1.736 64.914 63.200 -0.037 0.000 1.119 626 S HN 0.207 nan 8.310 nan 0.000 0.465 627 R N 1.140 121.513 120.500 -0.211 0.000 2.096 627 R HA 0.003 4.366 4.340 0.039 0.000 0.235 627 R C 0.944 177.022 176.300 -0.369 0.000 1.127 627 R CA 2.025 57.901 56.100 -0.373 0.000 0.968 627 R CB -0.274 29.634 30.300 -0.653 0.000 0.861 627 R HN 0.703 nan 8.270 nan 0.000 0.440 628 F N 0.069 120.032 119.950 0.023 0.000 2.754 628 F HA 0.252 4.802 4.527 0.038 0.000 0.297 628 F C 1.042 176.888 175.800 0.077 0.000 1.122 628 F CA -0.498 57.528 58.000 0.043 0.000 1.400 628 F CB 0.215 39.236 39.000 0.036 0.000 1.117 628 F HN -0.091 nan 8.300 nan 0.000 0.587 629 A N 2.032 124.969 122.820 0.195 0.000 2.541 629 A HA 0.287 4.630 4.320 0.039 0.000 0.293 629 A C 0.197 177.949 177.584 0.280 0.000 1.307 629 A CA -0.086 52.085 52.037 0.223 0.000 0.978 629 A CB -0.361 18.642 19.000 0.004 0.000 1.111 629 A HN 0.123 nan 8.150 nan 0.000 0.535 630 R N 2.993 123.679 120.500 0.311 0.000 2.407 630 R HA 0.201 4.564 4.340 0.039 0.000 0.298 630 R C -1.083 175.341 176.300 0.207 0.000 1.166 630 R CA -0.886 55.355 56.100 0.235 0.000 1.006 630 R CB 0.933 31.333 30.300 0.167 0.000 1.145 630 R HN 0.636 nan 8.270 nan 0.000 0.538 631 L N 3.292 124.605 121.223 0.150 0.000 2.584 631 L HA -0.023 4.340 4.340 0.039 0.000 0.272 631 L C 0.429 177.370 176.870 0.118 0.000 1.195 631 L CA 0.964 55.752 54.840 -0.085 0.000 0.920 631 L CB 0.352 42.197 42.059 -0.358 0.000 1.173 631 L HN 0.462 nan 8.230 nan 0.000 0.489 632 Q N 3.567 123.442 119.800 0.125 0.000 2.177 632 Q HA 0.271 4.634 4.340 0.039 0.000 0.183 632 Q C -0.209 175.915 176.000 0.208 0.000 1.040 632 Q CA -0.907 54.996 55.803 0.167 0.000 1.089 632 Q CB 0.434 29.220 28.738 0.079 0.000 1.130 632 Q HN 0.511 nan 8.270 nan 0.000 0.575 633 K N 0.708 121.110 120.400 0.004 0.000 2.518 633 K HA 0.001 4.344 4.320 0.039 0.000 0.276 633 K C -0.781 175.807 176.600 -0.021 0.000 0.974 633 K CA 0.087 56.270 56.287 -0.172 0.000 0.986 633 K CB 0.208 32.587 32.500 -0.202 0.000 0.901 633 K HN 0.343 nan 8.250 nan 0.000 0.497 634 L N 2.911 124.109 121.223 -0.041 0.000 2.375 634 L HA 0.229 4.593 4.340 0.039 0.000 0.271 634 L C -0.087 176.780 176.870 -0.005 0.000 1.107 634 L CA -0.542 54.269 54.840 -0.048 0.000 0.806 634 L CB 0.952 42.957 42.059 -0.090 0.000 1.146 634 L HN 0.663 nan 8.230 nan 0.000 0.447 635 H N 1.139 120.184 119.070 -0.042 0.000 2.539 635 H HA 0.478 5.061 4.556 0.045 0.000 0.332 635 H C -0.712 174.664 175.328 0.080 0.000 1.031 635 H CA -0.452 55.616 56.048 0.033 0.000 1.206 635 H CB 1.315 31.126 29.762 0.082 0.000 1.446 635 H HN 0.660 nan 8.280 nan 0.000 0.496 636 T N 1.721 116.168 114.554 -0.179 0.000 2.893 636 T HA 0.706 5.080 4.350 0.039 0.000 0.291 636 T C -0.842 173.767 174.700 -0.151 0.000 1.028 636 T CA -0.995 61.044 62.100 -0.102 0.000 0.995 636 T CB 1.702 70.507 68.868 -0.104 0.000 1.051 636 T HN 0.452 nan 8.240 nan 0.000 0.470 637 S N 1.549 117.160 115.700 -0.147 0.000 2.571 637 S HA 0.568 5.061 4.470 0.039 0.000 0.284 637 S C -0.599 173.989 174.600 -0.021 0.000 1.128 637 S CA -0.785 57.355 58.200 -0.100 0.000 0.970 637 S CB 1.001 64.120 63.200 -0.135 0.000 1.039 637 S HN 0.773 nan 8.310 nan 0.000 0.485 638 I N 2.389 122.957 120.570 -0.003 0.000 2.396 638 I HA 0.550 4.743 4.170 0.039 0.000 0.292 638 I C 0.131 176.288 176.117 0.067 0.000 0.999 638 I CA -0.381 60.934 61.300 0.027 0.000 1.310 638 I CB 1.311 39.304 38.000 -0.011 0.000 1.404 638 I HN 0.767 nan 8.210 nan 0.000 0.496 639 A N 5.344 128.239 122.820 0.126 0.000 2.709 639 A HA 0.665 5.008 4.320 0.039 0.000 0.332 639 A C 0.429 178.057 177.584 0.073 0.000 1.241 639 A CA 0.139 52.243 52.037 0.113 0.000 0.782 639 A CB 0.267 19.382 19.000 0.191 0.000 1.109 639 A HN 1.060 nan 8.150 nan 0.000 0.472 640 G N 2.833 111.654 108.800 0.035 0.000 2.561 640 G HA2 -0.383 3.600 3.960 0.039 0.000 0.289 640 G HA3 -0.383 3.600 3.960 0.039 0.000 0.289 640 G C 1.123 176.021 174.900 -0.003 0.000 1.169 640 G CA 0.832 45.941 45.100 0.015 0.000 0.980 640 G HN 1.585 nan 8.290 nan 0.000 0.550 641 R N 1.450 121.943 120.500 -0.011 0.000 2.310 641 R HA 0.157 4.520 4.340 0.039 0.000 0.202 641 R C 0.152 176.415 176.300 -0.062 0.000 0.933 641 R CA 0.574 56.653 56.100 -0.034 0.000 1.054 641 R CB -0.281 30.003 30.300 -0.027 0.000 0.985 641 R HN 0.407 nan 8.270 nan 0.000 0.489 642 N N 1.392 120.058 118.700 -0.058 0.000 2.530 642 N HA 0.210 4.973 4.740 0.039 0.000 0.277 642 N C -1.214 174.192 175.510 -0.173 0.000 1.168 642 N CA -0.466 52.493 53.050 -0.152 0.000 0.979 642 N CB 1.487 39.888 38.487 -0.143 0.000 1.141 642 N HN 0.091 nan 8.380 nan 0.000 0.459 643 L N 2.336 123.369 121.223 -0.317 0.000 2.404 643 L HA 0.413 4.776 4.340 0.039 0.000 0.272 643 L C -1.841 174.790 176.870 -0.398 0.000 0.980 643 L CA -0.690 54.006 54.840 -0.239 0.000 0.836 643 L CB 0.672 42.630 42.059 -0.168 0.000 1.238 643 L HN 0.412 nan 8.230 nan 0.000 0.408 644 Y N 5.871 126.040 120.300 -0.218 0.000 2.341 644 Y HA 0.596 5.167 4.550 0.036 0.000 0.340 644 Y C -0.025 175.735 175.900 -0.233 0.000 0.997 644 Y CA -0.384 57.541 58.100 -0.292 0.000 1.149 644 Y CB 1.139 39.182 38.460 -0.696 0.000 1.171 644 Y HN 0.403 nan 8.280 nan 0.000 0.494 645 I N 4.298 124.906 120.570 0.063 0.000 2.382 645 I HA 0.376 4.569 4.170 0.039 0.000 0.286 645 I C -0.125 176.092 176.117 0.168 0.000 1.002 645 I CA -0.748 60.573 61.300 0.034 0.000 1.135 645 I CB 1.447 39.415 38.000 -0.054 0.000 1.288 645 I HN 0.451 nan 8.210 nan 0.000 0.448 646 R N 6.397 127.014 120.500 0.196 0.000 2.287 646 R HA 0.392 4.755 4.340 0.039 0.000 0.327 646 R C -1.193 175.148 176.300 0.069 0.000 1.109 646 R CA -0.524 55.736 56.100 0.267 0.000 1.013 646 R CB 0.290 30.797 30.300 0.345 0.000 1.126 646 R HN 0.339 nan 8.270 nan 0.000 0.503 647 F N 2.398 122.424 119.950 0.127 0.000 2.456 647 F HA 0.176 4.728 4.527 0.041 0.000 0.358 647 F C 0.712 176.523 175.800 0.020 0.000 1.095 647 F CA 0.206 58.214 58.000 0.013 0.000 1.216 647 F CB 1.167 40.171 39.000 0.007 0.000 1.125 647 F HN 0.376 nan 8.300 nan 0.000 0.549 648 Q N 2.458 122.322 119.800 0.106 0.000 2.356 648 Q HA 0.633 4.996 4.340 0.039 0.000 0.270 648 Q C -1.146 174.904 176.000 0.082 0.000 1.058 648 Q CA -0.568 55.295 55.803 0.101 0.000 0.802 648 Q CB 1.992 30.770 28.738 0.066 0.000 1.303 648 Q HN 0.708 nan 8.270 nan 0.000 0.444 649 S N 2.647 118.437 115.700 0.150 0.000 2.543 649 S HA 0.516 5.009 4.470 0.039 0.000 0.274 649 S C -1.225 173.475 174.600 0.167 0.000 1.149 649 S CA -0.755 57.558 58.200 0.187 0.000 0.866 649 S CB 1.255 64.670 63.200 0.358 0.000 1.111 649 S HN 0.751 nan 8.310 nan 0.000 0.457 650 R N 1.036 121.624 120.500 0.146 0.000 2.801 650 R HA 0.443 4.806 4.340 0.039 0.000 0.273 650 R C 0.321 176.697 176.300 0.128 0.000 1.080 650 R CA 0.599 56.763 56.100 0.107 0.000 1.197 650 R CB 0.411 30.768 30.300 0.095 0.000 1.109 650 R HN 0.788 nan 8.270 nan 0.000 0.535 651 S N -0.954 114.769 115.700 0.039 0.000 2.924 651 S HA 0.264 4.757 4.470 0.039 0.000 0.244 651 S C 0.593 175.018 174.600 -0.291 0.000 0.842 651 S CA -0.317 57.886 58.200 0.004 0.000 1.086 651 S CB 0.505 63.720 63.200 0.026 0.000 1.295 651 S HN 1.094 nan 8.310 nan 0.000 0.500 652 G N 3.012 111.481 108.800 -0.551 0.000 2.611 652 G HA2 -0.330 3.654 3.960 0.039 0.000 0.301 652 G HA3 -0.330 3.654 3.960 0.039 0.000 0.301 652 G C 0.123 174.746 174.900 -0.462 0.000 1.233 652 G CA 0.853 45.354 45.100 -0.998 0.000 0.993 652 G HN 0.494 nan 8.290 nan 0.000 0.553 653 D N 1.872 122.024 120.400 -0.412 0.000 2.349 653 D HA 0.422 5.085 4.640 0.039 0.000 0.214 653 D C 1.331 177.533 176.300 -0.162 0.000 1.063 653 D CA 0.766 54.636 54.000 -0.217 0.000 0.847 653 D CB 0.298 41.000 40.800 -0.163 0.000 0.933 653 D HN 0.729 nan 8.370 nan 0.000 0.513 654 A N 1.040 123.757 122.820 -0.172 0.000 2.304 654 A HA 0.214 4.558 4.320 0.039 0.000 0.271 654 A C 1.322 178.859 177.584 -0.078 0.000 1.091 654 A CA -0.395 51.581 52.037 -0.101 0.000 0.812 654 A CB 1.028 19.986 19.000 -0.070 0.000 1.056 654 A HN -0.001 nan 8.150 nan 0.000 0.489 655 M N 0.892 120.458 119.600 -0.057 0.000 2.159 655 M HA -0.023 4.481 4.480 0.039 0.000 0.263 655 M C 1.301 177.597 176.300 -0.006 0.000 1.063 655 M CA 2.730 58.007 55.300 -0.038 0.000 1.110 655 M CB -0.569 32.008 32.600 -0.039 0.000 1.374 655 M HN 1.565 nan 8.290 nan 0.000 0.411 656 G N -1.222 107.580 108.800 0.003 0.000 2.231 656 G HA2 -0.227 3.756 3.960 0.039 0.000 0.206 656 G HA3 -0.227 3.756 3.960 0.039 0.000 0.206 656 G C 0.927 175.854 174.900 0.045 0.000 0.996 656 G CA 0.423 45.542 45.100 0.031 0.000 0.645 656 G HN 0.342 nan 8.290 nan 0.000 0.498 657 M N 0.843 120.466 119.600 0.038 0.000 2.163 657 M HA -0.137 4.366 4.480 0.039 0.000 0.258 657 M C 2.413 178.734 176.300 0.036 0.000 1.071 657 M CA 2.277 57.604 55.300 0.045 0.000 1.093 657 M CB -1.215 31.407 32.600 0.038 0.000 1.285 657 M HN 0.374 nan 8.290 nan 0.000 0.420 658 N N 0.170 118.883 118.700 0.021 0.000 2.043 658 N HA -0.188 4.575 4.740 0.039 0.000 0.193 658 N C 1.757 177.261 175.510 -0.009 0.000 1.037 658 N CA 1.544 54.598 53.050 0.007 0.000 0.851 658 N CB -0.447 38.042 38.487 0.005 0.000 1.027 658 N HN 0.433 nan 8.380 nan 0.000 0.422 659 M N 0.611 120.210 119.600 -0.001 0.000 2.065 659 M HA -0.182 4.321 4.480 0.039 0.000 0.259 659 M C 1.787 178.045 176.300 -0.070 0.000 1.069 659 M CA 1.595 56.881 55.300 -0.024 0.000 1.110 659 M CB -0.153 32.463 32.600 0.025 0.000 1.328 659 M HN -0.043 nan 8.290 nan 0.000 0.405 660 I N 0.606 121.185 120.570 0.015 0.000 2.286 660 I HA -0.237 3.956 4.170 0.039 0.000 0.248 660 I C 2.438 178.562 176.117 0.010 0.000 1.115 660 I CA 1.363 62.717 61.300 0.090 0.000 1.392 660 I CB -0.540 37.591 38.000 0.219 0.000 1.065 660 I HN 0.297 nan 8.210 nan 0.000 0.418 661 S N 0.006 115.705 115.700 -0.003 0.000 2.402 661 S HA -0.126 4.367 4.470 0.039 0.000 0.229 661 S C 1.939 176.484 174.600 -0.092 0.000 1.021 661 S CA 0.980 59.167 58.200 -0.023 0.000 0.974 661 S CB -0.148 63.053 63.200 0.001 0.000 0.800 661 S HN 0.415 nan 8.310 nan 0.000 0.484 662 K N 0.789 121.112 120.400 -0.129 0.000 2.076 662 K HA 0.037 4.381 4.320 0.039 0.000 0.204 662 K C 2.431 178.868 176.600 -0.273 0.000 1.051 662 K CA 1.048 57.239 56.287 -0.160 0.000 0.949 662 K CB -0.626 31.795 32.500 -0.132 0.000 0.726 662 K HN 0.407 nan 8.250 nan 0.000 0.443 663 G N 1.159 109.664 108.800 -0.492 0.000 2.418 663 G HA2 -0.242 3.741 3.960 0.039 0.000 0.217 663 G HA3 -0.242 3.741 3.960 0.039 0.000 0.217 663 G C 1.538 176.091 174.900 -0.579 0.000 1.158 663 G CA 1.270 45.792 45.100 -0.964 0.000 0.771 663 G HN 0.206 nan 8.290 nan 0.000 0.545 664 T N 0.649 115.004 114.554 -0.332 0.000 2.746 664 T HA -0.075 4.298 4.350 0.039 0.000 0.267 664 T C 2.200 176.721 174.700 -0.298 0.000 1.039 664 T CA 1.562 63.414 62.100 -0.414 0.000 1.142 664 T CB -0.157 68.523 68.868 -0.312 0.000 0.866 664 T HN 0.463 nan 8.240 nan 0.000 0.444 665 E N 0.444 120.539 120.200 -0.176 0.000 2.106 665 E HA -0.099 4.274 4.350 0.039 0.000 0.192 665 E C 2.275 178.836 176.600 -0.065 0.000 0.984 665 E CA 0.894 57.235 56.400 -0.099 0.000 0.806 665 E CB -0.021 29.632 29.700 -0.078 0.000 0.750 665 E HN 0.345 nan 8.360 nan 0.000 0.458 666 K N 0.324 120.676 120.400 -0.080 0.000 2.103 666 K HA -0.044 4.299 4.320 0.039 0.000 0.204 666 K C 2.062 178.685 176.600 0.038 0.000 1.052 666 K CA 0.844 57.115 56.287 -0.027 0.000 0.945 666 K CB 0.000 32.468 32.500 -0.053 0.000 0.722 666 K HN 0.057 nan 8.250 nan 0.000 0.443 667 A N 1.167 124.018 122.820 0.052 0.000 1.883 667 A HA -0.157 4.186 4.320 0.039 0.000 0.217 667 A C 2.020 179.722 177.584 0.196 0.000 1.186 667 A CA 1.365 53.506 52.037 0.173 0.000 0.624 667 A CB -0.642 18.505 19.000 0.245 0.000 0.822 667 A HN 0.296 nan 8.150 nan 0.000 0.444 668 L N -1.011 120.285 121.223 0.123 0.000 2.217 668 L HA -0.090 4.274 4.340 0.039 0.000 0.211 668 L C 2.801 179.761 176.870 0.150 0.000 1.107 668 L CA 1.115 56.052 54.840 0.162 0.000 0.783 668 L CB -0.320 41.800 42.059 0.102 0.000 0.919 668 L HN 0.430 nan 8.230 nan 0.000 0.442 669 S N -0.029 115.735 115.700 0.107 0.000 2.368 669 S HA -0.196 4.297 4.470 0.039 0.000 0.224 669 S C 2.027 176.729 174.600 0.171 0.000 1.029 669 S CA 1.398 59.666 58.200 0.113 0.000 0.988 669 S CB 0.013 63.250 63.200 0.061 0.000 0.838 669 S HN 0.191 nan 8.310 nan 0.000 0.462 670 K N 1.256 121.765 120.400 0.181 0.000 2.057 670 K HA 0.032 4.375 4.320 0.039 0.000 0.207 670 K C 1.868 178.652 176.600 0.308 0.000 1.049 670 K CA 1.071 57.502 56.287 0.239 0.000 0.931 670 K CB -0.829 31.820 32.500 0.249 0.000 0.714 670 K HN 0.322 nan 8.250 nan 0.000 0.440 671 L N 0.669 122.052 121.223 0.267 0.000 2.083 671 L HA -0.134 4.229 4.340 0.039 0.000 0.209 671 L C 2.269 179.285 176.870 0.244 0.000 1.083 671 L CA 1.909 56.885 54.840 0.227 0.000 0.752 671 L CB -0.749 41.444 42.059 0.224 0.000 0.899 671 L HN 0.473 nan 8.230 nan 0.000 0.433 672 H N -0.565 118.584 119.070 0.131 0.000 2.456 672 H HA -0.134 4.446 4.556 0.039 0.000 0.296 672 H C 1.744 177.095 175.328 0.038 0.000 1.079 672 H CA 1.601 57.702 56.048 0.088 0.000 1.322 672 H CB 0.466 30.262 29.762 0.057 0.000 1.388 672 H HN 0.543 nan 8.280 nan 0.000 0.538 673 E N -0.403 119.805 120.200 0.013 0.000 2.152 673 E HA -0.152 4.221 4.350 0.039 0.000 0.192 673 E C 1.485 177.878 176.600 -0.345 0.000 0.983 673 E CA 0.787 57.093 56.400 -0.156 0.000 0.818 673 E CB 0.031 29.666 29.700 -0.108 0.000 0.758 673 E HN 0.549 nan 8.360 nan 0.000 0.467 674 Y N -1.066 119.028 120.300 -0.343 0.000 2.457 674 Y HA 0.042 4.613 4.550 0.035 0.000 0.292 674 Y C 0.309 175.578 175.900 -1.052 0.000 1.125 674 Y CA 0.551 58.220 58.100 -0.719 0.000 1.254 674 Y CB 0.455 38.293 38.460 -1.038 0.000 1.012 674 Y HN -0.095 nan 8.280 nan 0.000 0.555 675 F N 0.046 119.877 119.950 -0.198 0.000 2.971 675 F HA 0.304 4.847 4.527 0.026 0.000 0.373 675 F C -1.999 173.633 175.800 -0.280 0.000 1.288 675 F CA -2.030 55.848 58.000 -0.204 0.000 1.204 675 F CB 1.190 40.083 39.000 -0.178 0.000 1.852 675 F HN -0.204 nan 8.300 nan 0.000 0.624 676 P HA -0.178 nan 4.420 nan 0.000 0.221 676 P C 0.798 178.016 177.300 -0.138 0.000 1.145 676 P CA 1.472 64.283 63.100 -0.482 0.000 0.795 676 P CB 0.348 31.869 31.700 -0.298 0.000 0.775 677 E N -1.002 119.195 120.200 -0.005 0.000 2.482 677 E HA 0.016 4.389 4.350 0.039 0.000 0.196 677 E C 1.096 177.749 176.600 0.089 0.000 1.047 677 E CA -0.150 56.281 56.400 0.052 0.000 0.869 677 E CB -0.204 29.520 29.700 0.039 0.000 0.836 677 E HN 0.314 nan 8.360 nan 0.000 0.520 678 M N 2.057 121.739 119.600 0.137 0.000 2.219 678 M HA -0.011 4.492 4.480 0.039 0.000 0.353 678 M C -0.252 176.144 176.300 0.160 0.000 1.304 678 M CA 0.264 55.645 55.300 0.135 0.000 1.115 678 M CB 0.661 33.353 32.600 0.154 0.000 1.664 678 M HN -0.146 nan 8.290 nan 0.000 0.459 679 Q N 5.887 125.720 119.800 0.055 0.000 2.307 679 Q HA 0.396 4.760 4.340 0.039 0.000 0.262 679 Q C -1.419 174.572 176.000 -0.015 0.000 0.961 679 Q CA -0.567 55.243 55.803 0.012 0.000 0.882 679 Q CB 1.037 29.775 28.738 -0.000 0.000 1.264 679 Q HN 0.823 nan 8.270 nan 0.000 0.446 680 I N 6.274 126.822 120.570 -0.037 0.000 2.311 680 I HA -0.059 4.134 4.170 0.039 0.000 0.297 680 I C 1.201 177.300 176.117 -0.031 0.000 1.131 680 I CA -0.128 61.153 61.300 -0.032 0.000 1.289 680 I CB 0.399 38.374 38.000 -0.043 0.000 1.446 680 I HN 0.757 nan 8.210 nan 0.000 0.524 681 L N 5.963 127.166 121.223 -0.033 0.000 2.023 681 L HA 0.103 4.466 4.340 0.039 0.000 0.205 681 L C 0.919 177.785 176.870 -0.007 0.000 1.073 681 L CA 1.235 56.060 54.840 -0.026 0.000 0.745 681 L CB 0.172 42.206 42.059 -0.041 0.000 0.900 681 L HN 0.724 nan 8.230 nan 0.000 0.435 682 A N -2.017 120.805 122.820 0.002 0.000 2.513 682 A HA 0.312 4.655 4.320 0.039 0.000 0.296 682 A C 0.209 177.819 177.584 0.043 0.000 1.052 682 A CA -0.276 51.776 52.037 0.025 0.000 0.714 682 A CB 1.057 20.082 19.000 0.042 0.000 1.279 682 A HN -0.078 nan 8.150 nan 0.000 0.397 683 V N 1.709 121.647 119.914 0.041 0.000 2.594 683 V HA -0.001 4.142 4.120 0.039 0.000 0.253 683 V C 1.010 177.161 176.094 0.094 0.000 1.069 683 V CA 2.698 65.031 62.300 0.054 0.000 1.082 683 V CB 0.089 31.929 31.823 0.028 0.000 0.680 683 V HN 1.175 nan 8.190 nan 0.000 0.469 684 S N -0.471 115.287 115.700 0.097 0.000 2.530 684 S HA 0.620 5.113 4.470 0.039 0.000 0.322 684 S C 0.516 175.205 174.600 0.148 0.000 1.085 684 S CA -0.034 58.246 58.200 0.133 0.000 1.096 684 S CB 1.256 64.523 63.200 0.111 0.000 0.988 684 S HN 0.488 nan 8.310 nan 0.000 0.466 685 G N 3.146 112.074 108.800 0.214 0.000 3.609 685 G HA2 0.202 4.186 3.960 0.039 0.000 0.280 685 G HA3 0.202 4.186 3.960 0.039 0.000 0.280 685 G C 0.383 175.477 174.900 0.324 0.000 1.155 685 G CA -0.607 44.662 45.100 0.281 0.000 0.876 685 G HN 0.825 nan 8.290 nan 0.000 0.535 686 N N -1.487 117.351 118.700 0.231 0.000 2.753 686 N HA -0.235 4.528 4.740 0.039 0.000 0.251 686 N C 0.358 175.991 175.510 0.206 0.000 1.097 686 N CA 0.779 53.935 53.050 0.176 0.000 0.786 686 N CB -1.564 36.997 38.487 0.124 0.000 1.137 686 N HN 0.534 nan 8.380 nan 0.000 0.566 687 Y N -0.279 120.100 120.300 0.132 0.000 2.457 687 Y HA 0.192 4.768 4.550 0.044 0.000 0.263 687 Y C 1.795 177.756 175.900 0.103 0.000 1.164 687 Y CA 0.044 58.208 58.100 0.108 0.000 1.274 687 Y CB 0.066 38.645 38.460 0.198 0.000 1.097 687 Y HN 0.364 nan 8.280 nan 0.000 0.523 688 C N -0.776 118.596 119.300 0.119 0.000 2.413 688 C HA -0.105 4.378 4.460 0.039 0.000 0.278 688 C C 1.207 176.182 174.990 -0.026 0.000 1.224 688 C CA 1.154 60.217 59.018 0.076 0.000 1.732 688 C CB -1.263 26.540 27.740 0.106 0.000 2.050 688 C HN 0.313 nan 8.230 nan 0.000 0.463 689 T N 0.894 115.424 114.554 -0.041 0.000 2.795 689 T HA 0.381 4.754 4.350 0.039 0.000 0.282 689 T C -0.943 173.772 174.700 0.025 0.000 0.980 689 T CA 0.095 62.195 62.100 0.001 0.000 1.012 689 T CB 1.336 70.188 68.868 -0.026 0.000 0.936 689 T HN 0.318 nan 8.240 nan 0.000 0.457 690 D N 2.076 122.503 120.400 0.046 0.000 2.280 690 D HA 0.308 4.971 4.640 0.039 0.000 0.236 690 D C 0.157 176.482 176.300 0.041 0.000 1.082 690 D CA -0.457 53.572 54.000 0.049 0.000 0.834 690 D CB 0.412 41.248 40.800 0.060 0.000 1.100 690 D HN 0.512 nan 8.370 nan 0.000 0.486 691 K N 0.796 121.218 120.400 0.038 0.000 3.341 691 K HA -0.230 4.113 4.320 0.039 0.000 0.305 691 K C -0.544 176.067 176.600 0.020 0.000 1.270 691 K CA 0.795 57.100 56.287 0.031 0.000 0.897 691 K CB -0.962 31.560 32.500 0.036 0.000 1.264 691 K HN 0.332 nan 8.250 nan 0.000 0.468 692 K N 0.126 120.535 120.400 0.016 0.000 2.435 692 K HA 0.387 4.730 4.320 0.039 0.000 0.251 692 K C -2.703 173.895 176.600 -0.004 0.000 0.954 692 K CA -2.075 54.216 56.287 0.005 0.000 0.820 692 K CB 1.363 33.869 32.500 0.011 0.000 1.292 692 K HN -0.230 nan 8.250 nan 0.000 0.436 693 P HA 0.263 nan 4.420 nan 0.000 0.271 693 P C -1.386 175.900 177.300 -0.023 0.000 1.216 693 P CA -0.376 62.707 63.100 -0.028 0.000 0.771 693 P CB 0.995 32.664 31.700 -0.050 0.000 0.864 694 A N 2.196 125.006 122.820 -0.016 0.000 2.512 694 A HA 0.538 4.882 4.320 0.039 0.000 0.294 694 A C 0.863 178.455 177.584 0.014 0.000 1.054 694 A CA -0.093 51.934 52.037 -0.017 0.000 0.756 694 A CB 0.946 19.924 19.000 -0.037 0.000 1.293 694 A HN 0.394 nan 8.150 nan 0.000 0.395 695 A N 1.992 124.824 122.820 0.021 0.000 2.024 695 A HA -0.088 4.255 4.320 0.039 0.000 0.220 695 A C 1.780 179.416 177.584 0.085 0.000 1.164 695 A CA 1.895 53.987 52.037 0.092 0.000 0.643 695 A CB -0.563 18.482 19.000 0.074 0.000 0.806 695 A HN 1.304 nan 8.150 nan 0.000 0.451 696 I N -0.177 120.372 120.570 -0.036 0.000 2.286 696 I HA -0.271 3.922 4.170 0.039 0.000 0.248 696 I C 1.851 177.910 176.117 -0.096 0.000 1.115 696 I CA 1.595 62.812 61.300 -0.138 0.000 1.392 696 I CB -0.198 37.595 38.000 -0.345 0.000 1.065 696 I HN 0.299 nan 8.210 nan 0.000 0.418 697 N N 0.538 119.218 118.700 -0.033 0.000 2.120 697 N HA -0.270 4.494 4.740 0.039 0.000 0.188 697 N C 1.517 177.081 175.510 0.089 0.000 1.024 697 N CA 1.563 54.621 53.050 0.013 0.000 0.852 697 N CB -0.713 37.798 38.487 0.041 0.000 1.003 697 N HN 0.632 nan 8.380 nan 0.000 0.424 698 W N 1.330 122.599 121.300 -0.053 0.000 2.402 698 W HA -0.018 4.665 4.660 0.038 0.000 0.286 698 W C 1.341 177.840 176.519 -0.033 0.000 1.221 698 W CA 0.710 58.039 57.345 -0.026 0.000 1.257 698 W CB 0.017 29.476 29.460 -0.001 0.000 1.120 698 W HN 0.005 nan 8.180 nan 0.000 0.551 699 I N -0.072 120.470 120.570 -0.047 0.000 2.729 699 I HA -0.128 4.065 4.170 0.039 0.000 0.256 699 I C 2.281 178.300 176.117 -0.164 0.000 1.115 699 I CA 0.696 61.906 61.300 -0.150 0.000 1.446 699 I CB -0.410 37.572 38.000 -0.029 0.000 1.176 699 I HN -0.286 nan 8.210 nan 0.000 0.446 700 E N 1.103 121.214 120.200 -0.148 0.000 2.318 700 E HA 0.151 4.524 4.350 0.039 0.000 0.193 700 E C 0.916 177.441 176.600 -0.125 0.000 0.998 700 E CA 0.666 56.971 56.400 -0.158 0.000 0.859 700 E CB 0.114 29.673 29.700 -0.235 0.000 0.812 700 E HN 0.431 nan 8.360 nan 0.000 0.492 701 G N 1.485 110.218 108.800 -0.112 0.000 2.758 701 G HA2 -0.244 3.739 3.960 0.039 0.000 0.686 701 G HA3 -0.244 3.739 3.960 0.039 0.000 0.686 701 G C -0.486 174.387 174.900 -0.046 0.000 1.389 701 G CA -0.049 45.005 45.100 -0.077 0.000 0.845 701 G HN 0.224 nan 8.290 nan 0.000 0.572 702 R N 0.338 120.829 120.500 -0.016 0.000 2.561 702 R HA 0.592 4.956 4.340 0.039 0.000 0.266 702 R C 0.996 177.308 176.300 0.020 0.000 1.091 702 R CA 0.797 56.900 56.100 0.005 0.000 0.927 702 R CB 1.077 31.385 30.300 0.013 0.000 1.240 702 R HN 2.813 nan 8.270 nan 0.000 0.449 703 G N 3.297 112.113 108.800 0.027 0.000 2.556 703 G HA2 -0.284 3.699 3.960 0.039 0.000 0.283 703 G HA3 -0.284 3.699 3.960 0.039 0.000 0.283 703 G C -1.132 173.776 174.900 0.014 0.000 1.177 703 G CA 0.114 45.230 45.100 0.026 0.000 0.978 703 G HN 0.494 nan 8.290 nan 0.000 0.554 704 K N 1.383 121.790 120.400 0.013 0.000 2.227 704 K HA 0.594 4.938 4.320 0.039 0.000 0.280 704 K C -0.185 176.414 176.600 -0.003 0.000 1.041 704 K CA -0.193 56.095 56.287 0.002 0.000 0.905 704 K CB 1.456 33.955 32.500 -0.001 0.000 1.068 704 K HN 0.493 nan 8.250 nan 0.000 0.470 705 S N 1.344 117.033 115.700 -0.019 0.000 2.508 705 S HA 0.580 5.074 4.470 0.039 0.000 0.284 705 S C -0.106 174.475 174.600 -0.031 0.000 1.192 705 S CA -0.827 57.351 58.200 -0.036 0.000 1.070 705 S CB 1.238 64.400 63.200 -0.063 0.000 1.004 705 S HN 0.302 nan 8.310 nan 0.000 0.493 706 V N 2.586 122.482 119.914 -0.030 0.000 2.971 706 V HA 0.634 4.778 4.120 0.039 0.000 0.309 706 V C -0.695 175.385 176.094 -0.023 0.000 1.130 706 V CA -0.747 61.539 62.300 -0.022 0.000 0.964 706 V CB 2.101 33.915 31.823 -0.014 0.000 1.029 706 V HN 0.647 nan 8.190 nan 0.000 0.427 707 V N 3.136 123.040 119.914 -0.017 0.000 2.823 707 V HA 0.854 4.997 4.120 0.039 0.000 0.312 707 V C -0.994 175.098 176.094 -0.005 0.000 1.072 707 V CA -0.217 62.077 62.300 -0.010 0.000 0.937 707 V CB 1.952 33.771 31.823 -0.006 0.000 1.013 707 V HN 1.170 nan 8.190 nan 0.000 0.430 708 C N 5.551 124.846 119.300 -0.008 0.000 2.888 708 C HA 0.913 5.396 4.460 0.039 0.000 0.308 708 C C -1.024 173.942 174.990 -0.040 0.000 1.213 708 C CA 0.023 59.032 59.018 -0.015 0.000 1.461 708 C CB 1.352 29.080 27.740 -0.020 0.000 1.934 708 C HN 1.141 nan 8.230 nan 0.000 0.474 709 E N 3.351 123.524 120.200 -0.046 0.000 2.430 709 E HA 0.832 5.205 4.350 0.039 0.000 0.279 709 E C -1.278 175.265 176.600 -0.095 0.000 1.003 709 E CA -0.729 55.595 56.400 -0.127 0.000 0.801 709 E CB 1.868 31.545 29.700 -0.039 0.000 1.313 709 E HN 1.324 nan 8.360 nan 0.000 0.459 710 A N 0.564 123.277 122.820 -0.178 0.000 2.566 710 A HA 0.593 4.936 4.320 0.039 0.000 0.290 710 A C -1.722 175.828 177.584 -0.056 0.000 1.071 710 A CA -0.635 51.363 52.037 -0.066 0.000 0.658 710 A CB 1.696 20.668 19.000 -0.047 0.000 1.285 710 A HN 0.408 nan 8.150 nan 0.000 0.427 711 V N 1.738 121.672 119.914 0.034 0.000 2.531 711 V HA 0.473 4.616 4.120 0.039 0.000 0.301 711 V C -0.954 175.162 176.094 0.038 0.000 1.034 711 V CA -0.491 61.851 62.300 0.070 0.000 0.865 711 V CB 1.511 33.409 31.823 0.125 0.000 0.995 711 V HN 0.637 nan 8.190 nan 0.000 0.424 712 I N 6.189 126.776 120.570 0.029 0.000 2.330 712 I HA 0.433 4.626 4.170 0.039 0.000 0.289 712 I C -2.394 173.740 176.117 0.028 0.000 1.001 712 I CA -3.040 58.273 61.300 0.021 0.000 1.193 712 I CB 1.256 39.263 38.000 0.011 0.000 1.345 712 I HN 0.343 nan 8.210 nan 0.000 0.461 713 P HA 0.071 nan 4.420 nan 0.000 0.267 713 P C 0.745 178.057 177.300 0.020 0.000 1.200 713 P CA 0.042 63.156 63.100 0.024 0.000 0.772 713 P CB 0.841 32.552 31.700 0.019 0.000 0.855 714 A N 3.965 126.796 122.820 0.020 0.000 1.927 714 A HA -0.277 4.066 4.320 0.039 0.000 0.220 714 A C 2.070 179.662 177.584 0.013 0.000 1.185 714 A CA 2.036 54.083 52.037 0.017 0.000 0.639 714 A CB -1.174 17.835 19.000 0.015 0.000 0.820 714 A HN 0.620 nan 8.150 nan 0.000 0.451 715 K N -0.370 120.038 120.400 0.012 0.000 2.097 715 K HA -0.079 4.265 4.320 0.039 0.000 0.206 715 K C 1.705 178.310 176.600 0.010 0.000 1.049 715 K CA 1.578 57.871 56.287 0.010 0.000 0.933 715 K CB -0.220 32.286 32.500 0.009 0.000 0.717 715 K HN 0.268 nan 8.250 nan 0.000 0.442 716 V N 0.827 120.747 119.914 0.011 0.000 2.548 716 V HA -0.171 3.972 4.120 0.039 0.000 0.249 716 V C 2.268 178.368 176.094 0.010 0.000 1.055 716 V CA 1.144 63.450 62.300 0.011 0.000 1.065 716 V CB 0.115 31.945 31.823 0.012 0.000 0.681 716 V HN 0.144 nan 8.190 nan 0.000 0.462 717 V N 0.061 119.981 119.914 0.011 0.000 2.427 717 V HA -0.206 3.937 4.120 0.039 0.000 0.248 717 V C 2.559 178.657 176.094 0.008 0.000 1.051 717 V CA 1.893 64.198 62.300 0.010 0.000 1.048 717 V CB -0.729 31.101 31.823 0.012 0.000 0.666 717 V HN 0.478 nan 8.190 nan 0.000 0.456 718 R N -0.186 120.319 120.500 0.008 0.000 2.073 718 R HA -0.083 4.280 4.340 0.039 0.000 0.229 718 R C 2.220 178.524 176.300 0.005 0.000 1.120 718 R CA 1.471 57.575 56.100 0.006 0.000 0.967 718 R CB -0.130 30.174 30.300 0.006 0.000 0.862 718 R HN 0.605 nan 8.270 nan 0.000 0.436 719 E N -0.276 119.927 120.200 0.006 0.000 2.166 719 E HA -0.023 4.350 4.350 0.039 0.000 0.192 719 E C 1.923 178.526 176.600 0.006 0.000 0.967 719 E CA 0.623 57.026 56.400 0.005 0.000 0.840 719 E CB 0.430 30.134 29.700 0.006 0.000 0.795 719 E HN 0.057 nan 8.360 nan 0.000 0.470 720 V N 1.185 121.103 119.914 0.007 0.000 2.426 720 V HA -0.085 4.059 4.120 0.039 0.000 0.242 720 V C 2.021 178.118 176.094 0.006 0.000 1.036 720 V CA 1.087 63.391 62.300 0.007 0.000 1.044 720 V CB -0.140 31.688 31.823 0.009 0.000 0.688 720 V HN 0.192 nan 8.190 nan 0.000 0.462 721 L N -0.509 120.717 121.223 0.006 0.000 2.585 721 L HA 0.224 4.587 4.340 0.039 0.000 0.226 721 L C 0.723 177.594 176.870 0.002 0.000 1.113 721 L CA 0.021 54.863 54.840 0.004 0.000 0.876 721 L CB -0.054 42.007 42.059 0.005 0.000 1.072 721 L HN 0.230 nan 8.230 nan 0.000 0.468 722 K N 0.573 120.974 120.400 0.002 0.000 3.129 722 K HA -0.176 4.167 4.320 0.039 0.000 0.273 722 K C 0.169 176.769 176.600 0.000 0.000 1.123 722 K CA 0.988 57.276 56.287 0.001 0.000 0.800 722 K CB -2.244 30.256 32.500 -0.000 0.000 1.238 722 K HN 0.463 nan 8.250 nan 0.000 0.492 723 T N -1.570 112.985 114.554 0.002 0.000 2.612 723 T HA 0.580 4.953 4.350 0.039 0.000 0.296 723 T C -1.011 173.692 174.700 0.005 0.000 1.148 723 T CA 0.329 62.430 62.100 0.002 0.000 1.077 723 T CB 1.721 70.589 68.868 0.000 0.000 1.591 723 T HN 0.270 nan 8.240 nan 0.000 0.479 724 T N -1.427 113.131 114.554 0.006 0.000 2.926 724 T HA 0.490 4.863 4.350 0.039 0.000 0.289 724 T C 1.042 175.749 174.700 0.011 0.000 1.054 724 T CA -0.192 61.913 62.100 0.009 0.000 1.015 724 T CB 1.015 69.888 68.868 0.008 0.000 1.167 724 T HN 0.439 nan 8.240 nan 0.000 0.526 725 T N 0.218 114.781 114.554 0.015 0.000 2.821 725 T HA -0.067 4.306 4.350 0.039 0.000 0.267 725 T C 1.657 176.369 174.700 0.020 0.000 1.046 725 T CA 1.638 63.750 62.100 0.020 0.000 1.139 725 T CB -0.371 68.512 68.868 0.026 0.000 0.871 725 T HN 0.806 nan 8.240 nan 0.000 0.454 726 E N 0.628 120.838 120.200 0.016 0.000 2.110 726 E HA -0.121 4.253 4.350 0.039 0.000 0.193 726 E C 2.322 178.930 176.600 0.013 0.000 0.988 726 E CA 1.008 57.417 56.400 0.015 0.000 0.804 726 E CB -0.128 29.580 29.700 0.012 0.000 0.745 726 E HN 0.488 nan 8.360 nan 0.000 0.458 727 A N 0.757 123.583 122.820 0.010 0.000 1.897 727 A HA -0.126 4.218 4.320 0.039 0.000 0.215 727 A C 2.146 179.734 177.584 0.008 0.000 1.181 727 A CA 1.052 53.094 52.037 0.007 0.000 0.620 727 A CB -0.294 18.709 19.000 0.004 0.000 0.821 727 A HN 0.223 nan 8.150 nan 0.000 0.443 728 M N -0.252 119.354 119.600 0.010 0.000 2.065 728 M HA -0.140 4.363 4.480 0.039 0.000 0.259 728 M C 2.222 178.531 176.300 0.016 0.000 1.069 728 M CA 1.559 56.865 55.300 0.011 0.000 1.110 728 M CB -1.237 31.370 32.600 0.012 0.000 1.328 728 M HN 0.418 nan 8.290 nan 0.000 0.405 729 I N -0.129 120.454 120.570 0.022 0.000 2.163 729 I HA -0.323 3.870 4.170 0.039 0.000 0.243 729 I C 2.554 178.685 176.117 0.023 0.000 1.085 729 I CA 1.540 62.857 61.300 0.027 0.000 1.347 729 I CB -0.475 37.543 38.000 0.031 0.000 1.044 729 I HN 0.422 nan 8.210 nan 0.000 0.408 730 E N 0.654 120.865 120.200 0.018 0.000 2.051 730 E HA -0.203 4.170 4.350 0.039 0.000 0.192 730 E C 2.285 178.893 176.600 0.014 0.000 0.991 730 E CA 1.621 58.030 56.400 0.015 0.000 0.799 730 E CB 0.146 29.852 29.700 0.011 0.000 0.748 730 E HN 0.288 nan 8.360 nan 0.000 0.449 731 V N 1.216 121.137 119.914 0.011 0.000 2.427 731 V HA -0.212 3.932 4.120 0.039 0.000 0.248 731 V C 2.169 178.271 176.094 0.014 0.000 1.051 731 V CA 1.907 64.212 62.300 0.007 0.000 1.048 731 V CB -0.748 31.075 31.823 0.000 0.000 0.666 731 V HN 0.325 nan 8.190 nan 0.000 0.456 732 N N 0.367 119.079 118.700 0.020 0.000 2.084 732 N HA -0.119 4.644 4.740 0.039 0.000 0.190 732 N C 1.681 177.215 175.510 0.039 0.000 1.030 732 N CA 1.550 54.619 53.050 0.030 0.000 0.849 732 N CB -0.207 38.300 38.487 0.033 0.000 1.012 732 N HN 0.440 nan 8.380 nan 0.000 0.423 733 I N 0.381 120.972 120.570 0.035 0.000 2.163 733 I HA -0.255 3.938 4.170 0.039 0.000 0.243 733 I C 1.429 177.569 176.117 0.039 0.000 1.085 733 I CA 1.063 62.385 61.300 0.038 0.000 1.347 733 I CB -0.271 37.746 38.000 0.029 0.000 1.044 733 I HN 0.293 nan 8.210 nan 0.000 0.408 734 N N 0.162 118.879 118.700 0.028 0.000 2.422 734 N HA -0.081 4.682 4.740 0.039 0.000 0.181 734 N C 1.591 177.113 175.510 0.020 0.000 1.080 734 N CA 0.534 53.598 53.050 0.023 0.000 0.893 734 N CB 0.428 38.924 38.487 0.014 0.000 0.973 734 N HN 0.456 nan 8.380 nan 0.000 0.456 735 K N 0.784 121.196 120.400 0.021 0.000 2.214 735 K HA 0.132 4.475 4.320 0.039 0.000 0.210 735 K C 1.126 177.742 176.600 0.026 0.000 1.036 735 K CA 0.204 56.499 56.287 0.012 0.000 0.958 735 K CB 0.239 32.739 32.500 0.001 0.000 0.973 735 K HN -0.147 nan 8.250 nan 0.000 0.466 736 N N 0.958 119.688 118.700 0.050 0.000 2.409 736 N HA -0.014 4.749 4.740 0.039 0.000 0.179 736 N C 1.704 177.331 175.510 0.194 0.000 1.032 736 N CA 0.794 53.896 53.050 0.087 0.000 0.898 736 N CB 0.187 38.730 38.487 0.093 0.000 0.971 736 N HN 0.240 nan 8.380 nan 0.000 0.441 737 L N -0.753 120.569 121.223 0.166 0.000 2.416 737 L HA 0.131 4.494 4.340 0.039 0.000 0.188 737 L C 2.070 179.043 176.870 0.173 0.000 1.145 737 L CA 0.309 55.276 54.840 0.212 0.000 0.826 737 L CB -0.711 41.406 42.059 0.097 0.000 1.064 737 L HN -0.172 nan 8.230 nan 0.000 0.490 738 V N 0.735 120.704 119.914 0.092 0.000 2.358 738 V HA -0.156 3.987 4.120 0.039 0.000 0.246 738 V C 2.593 178.713 176.094 0.044 0.000 1.047 738 V CA 2.064 64.401 62.300 0.063 0.000 1.035 738 V CB -1.296 30.550 31.823 0.038 0.000 0.658 738 V HN 0.598 nan 8.190 nan 0.000 0.452 739 G N -0.470 108.347 108.800 0.029 0.000 2.433 739 G HA2 -0.232 3.751 3.960 0.039 0.000 0.216 739 G HA3 -0.232 3.751 3.960 0.039 0.000 0.216 739 G C 1.851 176.733 174.900 -0.031 0.000 1.186 739 G CA 1.139 46.237 45.100 -0.003 0.000 0.779 739 G HN 0.499 nan 8.290 nan 0.000 0.543 740 S N 1.072 116.742 115.700 -0.050 0.000 2.383 740 S HA -0.040 4.453 4.470 0.039 0.000 0.229 740 S C 2.749 177.263 174.600 -0.143 0.000 1.030 740 S CA 1.229 59.322 58.200 -0.179 0.000 1.002 740 S CB -0.353 62.620 63.200 -0.378 0.000 0.829 740 S HN 0.602 nan 8.310 nan 0.000 0.467 741 A N 1.764 124.595 122.820 0.019 0.000 1.877 741 A HA -0.075 4.268 4.320 0.039 0.000 0.216 741 A C 2.056 179.644 177.584 0.007 0.000 1.186 741 A CA 1.449 53.526 52.037 0.067 0.000 0.620 741 A CB -0.521 18.555 19.000 0.128 0.000 0.822 741 A HN 0.361 nan 8.150 nan 0.000 0.443 742 M N -0.228 119.371 119.600 -0.001 0.000 2.279 742 M HA -0.030 4.473 4.480 0.039 0.000 0.264 742 M C 2.211 178.492 176.300 -0.031 0.000 1.062 742 M CA 1.176 56.469 55.300 -0.012 0.000 1.099 742 M CB -1.544 31.050 32.600 -0.009 0.000 1.394 742 M HN 0.472 nan 8.290 nan 0.000 0.426 743 A N -0.684 122.104 122.820 -0.054 0.000 2.208 743 A HA 0.413 4.757 4.320 0.039 0.000 0.209 743 A C 1.478 179.012 177.584 -0.083 0.000 1.161 743 A CA 0.798 52.792 52.037 -0.071 0.000 0.782 743 A CB -0.776 18.168 19.000 -0.093 0.000 0.816 743 A HN 0.638 nan 8.150 nan 0.000 0.477 744 G N -0.219 108.532 108.800 -0.081 0.000 2.341 744 G HA2 -0.143 3.841 3.960 0.039 0.000 0.278 744 G HA3 -0.143 3.841 3.960 0.039 0.000 0.278 744 G C 0.102 174.922 174.900 -0.132 0.000 1.111 744 G CA 0.475 45.528 45.100 -0.078 0.000 0.982 744 G HN 1.003 nan 8.290 nan 0.000 0.502 745 S N -0.323 115.248 115.700 -0.215 0.000 2.525 745 S HA 0.700 5.193 4.470 0.039 0.000 0.278 745 S C 0.586 174.972 174.600 -0.355 0.000 1.234 745 S CA -0.857 57.130 58.200 -0.354 0.000 1.058 745 S CB 0.319 63.165 63.200 -0.589 0.000 0.983 745 S HN 0.393 nan 8.310 nan 0.000 0.495 746 I N 4.703 125.075 120.570 -0.330 0.000 2.330 746 I HA 0.371 4.564 4.170 0.039 0.000 0.286 746 I C 1.370 177.120 176.117 -0.613 0.000 1.025 746 I CA 0.209 61.291 61.300 -0.363 0.000 1.197 746 I CB 0.053 37.920 38.000 -0.222 0.000 1.358 746 I HN 1.031 nan 8.210 nan 0.000 0.467 747 G N 4.938 113.140 108.800 -0.995 0.000 2.176 747 G HA2 -0.209 3.774 3.960 0.039 0.000 0.253 747 G HA3 -0.209 3.774 3.960 0.039 0.000 0.253 747 G C 0.813 175.284 174.900 -0.716 0.000 0.979 747 G CA -0.010 44.220 45.100 -1.450 0.000 0.641 747 G HN 0.905 nan 8.290 nan 0.000 0.530 748 G N -0.128 108.270 108.800 -0.669 0.000 4.178 748 G HA2 0.484 4.468 3.960 0.039 0.000 0.287 748 G HA3 0.484 4.468 3.960 0.039 0.000 0.287 748 G C 0.069 174.680 174.900 -0.482 0.000 1.293 748 G CA -0.467 44.361 45.100 -0.453 0.000 1.393 748 G HN 0.396 nan 8.290 nan 0.000 0.623 749 Y N 1.480 121.693 120.300 -0.145 0.000 2.928 749 Y HA 0.241 4.813 4.550 0.038 0.000 0.390 749 Y C 0.724 176.624 175.900 -0.001 0.000 1.101 749 Y CA -0.896 57.172 58.100 -0.053 0.000 1.777 749 Y CB -0.310 38.144 38.460 -0.009 0.000 1.720 749 Y HN 0.577 nan 8.280 nan 0.000 0.484 750 N N -1.942 116.788 118.700 0.050 0.000 2.732 750 N HA 0.657 5.421 4.740 0.039 0.000 0.259 750 N C 0.085 175.616 175.510 0.034 0.000 1.402 750 N CA -0.504 52.583 53.050 0.061 0.000 0.829 750 N CB 0.866 39.392 38.487 0.066 0.000 1.495 750 N HN -0.050 nan 8.380 nan 0.000 0.511 751 A N -0.215 122.645 122.820 0.067 0.000 1.850 751 A HA 0.070 4.413 4.320 0.039 0.000 0.212 751 A C 0.805 178.463 177.584 0.122 0.000 1.208 751 A CA 1.586 53.653 52.037 0.050 0.000 0.609 751 A CB -0.960 18.047 19.000 0.012 0.000 0.860 751 A HN 0.992 nan 8.150 nan 0.000 0.448 752 H N -4.846 114.207 119.070 -0.028 0.000 3.407 752 H HA 0.638 5.217 4.556 0.039 0.000 0.222 752 H C 0.792 176.098 175.328 -0.037 0.000 1.357 752 H CA 0.085 56.112 56.048 -0.035 0.000 1.145 752 H CB -0.194 29.549 29.762 -0.031 0.000 2.622 752 H HN 0.272 nan 8.280 nan 0.000 0.556 753 A N 1.323 124.121 122.820 -0.037 0.000 1.958 753 A HA -0.193 4.151 4.320 0.039 0.000 0.221 753 A C 2.576 180.066 177.584 -0.157 0.000 1.178 753 A CA 2.162 54.130 52.037 -0.114 0.000 0.642 753 A CB -0.904 18.069 19.000 -0.045 0.000 0.816 753 A HN 0.761 nan 8.150 nan 0.000 0.453 754 A N -0.006 122.745 122.820 -0.116 0.000 1.940 754 A HA -0.225 4.118 4.320 0.039 0.000 0.219 754 A C 1.956 179.453 177.584 -0.144 0.000 1.176 754 A CA 1.821 53.781 52.037 -0.129 0.000 0.631 754 A CB -0.638 18.309 19.000 -0.088 0.000 0.814 754 A HN 0.570 nan 8.150 nan 0.000 0.446 755 N N -0.033 118.580 118.700 -0.144 0.000 2.043 755 N HA -0.154 4.609 4.740 0.039 0.000 0.193 755 N C 1.504 176.914 175.510 -0.168 0.000 1.037 755 N CA 1.750 54.718 53.050 -0.138 0.000 0.851 755 N CB -0.448 37.964 38.487 -0.125 0.000 1.027 755 N HN 0.417 nan 8.380 nan 0.000 0.422 756 I N 0.507 120.929 120.570 -0.247 0.000 2.202 756 I HA -0.148 4.046 4.170 0.039 0.000 0.242 756 I C 2.300 178.334 176.117 -0.139 0.000 1.091 756 I CA 0.546 61.738 61.300 -0.180 0.000 1.368 756 I CB -0.727 37.153 38.000 -0.201 0.000 1.058 756 I HN -0.124 nan 8.210 nan 0.000 0.410 757 V N 0.273 120.069 119.914 -0.196 0.000 2.282 757 V HA -0.354 3.789 4.120 0.039 0.000 0.249 757 V C 2.481 178.374 176.094 -0.336 0.000 1.057 757 V CA 2.560 64.671 62.300 -0.316 0.000 1.032 757 V CB -1.156 30.402 31.823 -0.441 0.000 0.645 757 V HN 0.470 nan 8.190 nan 0.000 0.447 758 T N 0.124 114.540 114.554 -0.231 0.000 2.708 758 T HA -0.154 4.219 4.350 0.039 0.000 0.266 758 T C 2.036 176.732 174.700 -0.006 0.000 1.037 758 T CA 1.653 63.681 62.100 -0.120 0.000 1.146 758 T CB -0.437 68.379 68.868 -0.086 0.000 0.865 758 T HN 0.586 nan 8.240 nan 0.000 0.435 759 A N 1.097 123.907 122.820 -0.017 0.000 1.877 759 A HA 0.006 4.349 4.320 0.039 0.000 0.216 759 A C 2.304 179.920 177.584 0.054 0.000 1.186 759 A CA 1.156 53.202 52.037 0.015 0.000 0.620 759 A CB -0.767 18.230 19.000 -0.005 0.000 0.822 759 A HN 0.512 nan 8.150 nan 0.000 0.443 760 I N -1.860 118.751 120.570 0.069 0.000 2.226 760 I HA -0.268 3.926 4.170 0.039 0.000 0.245 760 I C 2.390 178.619 176.117 0.185 0.000 1.100 760 I CA 1.357 62.724 61.300 0.111 0.000 1.374 760 I CB -0.445 37.624 38.000 0.115 0.000 1.057 760 I HN 0.342 nan 8.210 nan 0.000 0.413 761 Y N 0.791 121.077 120.300 -0.023 0.000 2.181 761 Y HA -0.202 4.370 4.550 0.038 0.000 0.288 761 Y C 2.421 178.317 175.900 -0.008 0.000 1.146 761 Y CA 1.224 59.314 58.100 -0.016 0.000 1.164 761 Y CB -0.589 37.862 38.460 -0.015 0.000 0.982 761 Y HN 0.100 nan 8.280 nan 0.000 0.515 762 I N -0.953 119.709 120.570 0.153 0.000 2.286 762 I HA -0.273 3.920 4.170 0.039 0.000 0.245 762 I C 2.523 178.671 176.117 0.052 0.000 1.104 762 I CA 1.105 62.456 61.300 0.084 0.000 1.397 762 I CB -0.566 37.475 38.000 0.068 0.000 1.072 762 I HN 0.116 nan 8.210 nan 0.000 0.417 763 A N -0.528 122.322 122.820 0.050 0.000 1.933 763 A HA -0.214 4.129 4.320 0.039 0.000 0.218 763 A C 2.069 179.661 177.584 0.014 0.000 1.175 763 A CA 1.593 53.649 52.037 0.031 0.000 0.628 763 A CB -0.900 18.119 19.000 0.032 0.000 0.814 763 A HN 0.574 nan 8.150 nan 0.000 0.444 764 C N -1.137 118.164 119.300 0.002 0.000 2.780 764 C HA 0.510 4.993 4.460 0.039 0.000 0.287 764 C C 1.761 176.716 174.990 -0.060 0.000 1.288 764 C CA -0.079 58.919 59.018 -0.033 0.000 1.713 764 C CB -1.027 26.682 27.740 -0.053 0.000 1.955 764 C HN 1.066 nan 8.230 nan 0.000 0.613 765 G N 1.237 110.014 108.800 -0.039 0.000 2.143 765 G HA2 -0.187 3.796 3.960 0.039 0.000 0.248 765 G HA3 -0.187 3.796 3.960 0.039 0.000 0.248 765 G C 0.035 174.888 174.900 -0.078 0.000 0.991 765 G CA 0.047 45.123 45.100 -0.041 0.000 0.689 765 G HN 0.513 nan 8.290 nan 0.000 0.522 766 Q N 0.179 119.896 119.800 -0.138 0.000 2.407 766 Q HA 0.336 4.699 4.340 0.039 0.000 0.214 766 Q C -0.002 175.955 176.000 -0.071 0.000 1.043 766 Q CA -0.462 55.201 55.803 -0.233 0.000 0.983 766 Q CB 0.519 28.839 28.738 -0.696 0.000 1.211 766 Q HN 0.324 nan 8.270 nan 0.000 0.564 767 D N 0.130 120.507 120.400 -0.039 0.000 2.422 767 D HA 0.224 4.887 4.640 0.039 0.000 0.227 767 D C 0.372 176.774 176.300 0.169 0.000 1.190 767 D CA -0.109 53.924 54.000 0.054 0.000 0.905 767 D CB 0.647 41.473 40.800 0.043 0.000 1.034 767 D HN 0.517 nan 8.370 nan 0.000 0.507 768 A N 3.709 126.628 122.820 0.166 0.000 2.070 768 A HA -0.074 4.269 4.320 0.039 0.000 0.220 768 A C 2.090 179.743 177.584 0.114 0.000 1.159 768 A CA 1.532 53.685 52.037 0.194 0.000 0.656 768 A CB -0.209 18.863 19.000 0.120 0.000 0.800 768 A HN 0.608 nan 8.150 nan 0.000 0.453 769 A N -0.534 122.339 122.820 0.089 0.000 2.019 769 A HA -0.178 4.165 4.320 0.039 0.000 0.219 769 A C 1.926 179.546 177.584 0.060 0.000 1.164 769 A CA 1.351 53.422 52.037 0.057 0.000 0.644 769 A CB -0.444 18.585 19.000 0.048 0.000 0.805 769 A HN 0.661 nan 8.150 nan 0.000 0.449 770 Q N -0.486 119.378 119.800 0.108 0.000 2.515 770 Q HA -0.113 4.250 4.340 0.039 0.000 0.212 770 Q C 1.418 177.456 176.000 0.064 0.000 0.970 770 Q CA 0.598 56.471 55.803 0.116 0.000 0.941 770 Q CB -0.314 28.531 28.738 0.179 0.000 0.998 770 Q HN 0.744 nan 8.270 nan 0.000 0.518 771 N N 0.462 119.150 118.700 -0.019 0.000 2.348 771 N HA -0.150 4.614 4.740 0.039 0.000 0.185 771 N C 1.382 176.838 175.510 -0.089 0.000 1.019 771 N CA 0.786 53.742 53.050 -0.157 0.000 0.880 771 N CB 0.023 38.407 38.487 -0.171 0.000 0.965 771 N HN 0.015 nan 8.380 nan 0.000 0.437 772 V N -0.246 119.645 119.914 -0.037 0.000 2.231 772 V HA -0.208 3.935 4.120 0.039 0.000 0.248 772 V C 2.291 178.370 176.094 -0.024 0.000 1.054 772 V CA 2.242 64.524 62.300 -0.030 0.000 1.015 772 V CB -1.234 30.582 31.823 -0.011 0.000 0.638 772 V HN 0.566 nan 8.190 nan 0.000 0.444 773 G N -1.703 107.097 108.800 0.001 0.000 2.453 773 G HA2 -0.115 3.869 3.960 0.039 0.000 0.215 773 G HA3 -0.115 3.869 3.960 0.039 0.000 0.215 773 G C 1.725 176.644 174.900 0.032 0.000 1.147 773 G CA 0.787 45.902 45.100 0.025 0.000 0.802 773 G HN 0.494 nan 8.290 nan 0.000 0.535 774 S N 0.995 116.698 115.700 0.005 0.000 2.447 774 S HA -0.034 4.459 4.470 0.039 0.000 0.233 774 S C 2.416 176.983 174.600 -0.055 0.000 1.006 774 S CA 0.955 59.151 58.200 -0.006 0.000 0.957 774 S CB -0.009 63.175 63.200 -0.027 0.000 0.773 774 S HN 0.302 nan 8.310 nan 0.000 0.507 775 S N 1.833 117.487 115.700 -0.077 0.000 2.562 775 S HA 0.122 4.615 4.470 0.039 0.000 0.221 775 S C 0.442 175.043 174.600 0.000 0.000 0.975 775 S CA -0.159 57.998 58.200 -0.072 0.000 0.918 775 S CB -0.189 62.952 63.200 -0.099 0.000 0.772 775 S HN 0.448 nan 8.310 nan 0.000 0.531 776 N N 1.778 120.514 118.700 0.060 0.000 2.359 776 N HA 0.080 4.843 4.740 0.039 0.000 0.261 776 N C -0.527 175.150 175.510 0.278 0.000 1.267 776 N CA 0.430 53.581 53.050 0.168 0.000 0.864 776 N CB 0.392 39.096 38.487 0.362 0.000 1.063 776 N HN 0.266 nan 8.380 nan 0.000 0.474 777 C N 3.839 123.322 119.300 0.305 0.000 3.146 777 C HA 0.500 4.983 4.460 0.039 0.000 0.405 777 C C -0.820 174.376 174.990 0.344 0.000 1.012 777 C CA -0.985 58.211 59.018 0.296 0.000 1.217 777 C CB 0.181 28.000 27.740 0.131 0.000 1.599 777 C HN 0.765 nan 8.230 nan 0.000 0.567 778 I N 5.085 125.894 120.570 0.397 0.000 2.378 778 I HA 0.564 4.757 4.170 0.039 0.000 0.291 778 I C -0.042 176.180 176.117 0.174 0.000 0.992 778 I CA 0.369 61.864 61.300 0.325 0.000 1.154 778 I CB 1.799 40.012 38.000 0.355 0.000 1.315 778 I HN 0.757 nan 8.210 nan 0.000 0.448 779 T N 8.228 122.866 114.554 0.140 0.000 2.758 779 T HA 0.523 4.896 4.350 0.039 0.000 0.285 779 T C -0.323 174.419 174.700 0.070 0.000 0.981 779 T CA -0.348 61.800 62.100 0.081 0.000 0.965 779 T CB 0.671 69.582 68.868 0.071 0.000 0.927 779 T HN 0.343 nan 8.240 nan 0.000 0.448 780 L N 3.841 125.092 121.223 0.046 0.000 2.334 780 L HA 0.693 5.056 4.340 0.039 0.000 0.273 780 L C -0.187 176.707 176.870 0.039 0.000 1.013 780 L CA -0.813 54.061 54.840 0.057 0.000 0.816 780 L CB 1.718 43.828 42.059 0.085 0.000 1.278 780 L HN 0.416 nan 8.230 nan 0.000 0.431 781 M N 3.174 122.814 119.600 0.066 0.000 2.267 781 M HA 0.397 4.900 4.480 0.039 0.000 0.289 781 M C -1.117 175.248 176.300 0.109 0.000 1.043 781 M CA -0.445 54.896 55.300 0.069 0.000 0.928 781 M CB 2.684 35.307 32.600 0.038 0.000 1.613 781 M HN 0.651 nan 8.290 nan 0.000 0.450 782 E N 1.820 122.122 120.200 0.170 0.000 2.456 782 E HA 0.867 5.240 4.350 0.039 0.000 0.276 782 E C -1.210 175.464 176.600 0.123 0.000 0.981 782 E CA -1.255 55.224 56.400 0.131 0.000 0.814 782 E CB 1.706 31.475 29.700 0.115 0.000 1.382 782 E HN 0.617 nan 8.360 nan 0.000 0.459 783 A N 0.668 123.531 122.820 0.072 0.000 2.332 783 A HA 0.584 4.927 4.320 0.039 0.000 0.258 783 A C -0.080 177.534 177.584 0.050 0.000 1.087 783 A CA 0.088 52.159 52.037 0.056 0.000 0.802 783 A CB 0.999 20.018 19.000 0.032 0.000 1.042 783 A HN 0.479 nan 8.150 nan 0.000 0.489 784 S N -0.853 114.876 115.700 0.048 0.000 2.588 784 S HA 0.718 5.211 4.470 0.039 0.000 0.269 784 S C -0.144 174.471 174.600 0.025 0.000 1.157 784 S CA 0.854 59.074 58.200 0.034 0.000 0.824 784 S CB 0.864 64.109 63.200 0.076 0.000 1.126 784 S HN 2.864 nan 8.310 nan 0.000 0.464 785 G N 2.909 111.716 108.800 0.013 0.000 2.760 785 G HA2 -0.117 3.867 3.960 0.039 0.000 0.246 785 G HA3 -0.117 3.867 3.960 0.039 0.000 0.246 785 G C -2.095 172.809 174.900 0.006 0.000 1.359 785 G CA -0.144 44.964 45.100 0.012 0.000 0.861 785 G HN 0.671 nan 8.290 nan 0.000 0.541 786 P HA -0.074 nan 4.420 nan 0.000 0.215 786 P C 1.732 179.034 177.300 0.003 0.000 1.163 786 P CA 3.090 66.192 63.100 0.003 0.000 0.894 786 P CB -0.119 31.584 31.700 0.005 0.000 0.791 787 T N -5.293 109.264 114.554 0.006 0.000 3.293 787 T HA 0.255 4.629 4.350 0.039 0.000 0.276 787 T C 0.222 174.927 174.700 0.008 0.000 1.003 787 T CA -0.635 61.468 62.100 0.006 0.000 0.916 787 T CB -1.137 67.735 68.868 0.006 0.000 1.134 787 T HN -0.085 nan 8.240 nan 0.000 0.530 788 N N 1.757 120.463 118.700 0.010 0.000 2.727 788 N HA -0.154 4.609 4.740 0.039 0.000 0.249 788 N C 0.401 175.922 175.510 0.019 0.000 1.048 788 N CA 1.013 54.071 53.050 0.014 0.000 0.714 788 N CB -1.030 37.463 38.487 0.011 0.000 0.959 788 N HN 0.759 nan 8.380 nan 0.000 0.544 789 E N -0.932 119.280 120.200 0.020 0.000 2.473 789 E HA 0.045 4.418 4.350 0.039 0.000 0.204 789 E C -0.442 176.174 176.600 0.027 0.000 0.994 789 E CA -0.151 56.261 56.400 0.020 0.000 0.945 789 E CB 0.424 30.133 29.700 0.016 0.000 0.990 789 E HN 0.285 nan 8.360 nan 0.000 0.493 790 D N 0.759 121.179 120.400 0.033 0.000 2.283 790 D HA 0.175 4.839 4.640 0.039 0.000 0.248 790 D C -0.589 175.747 176.300 0.060 0.000 1.072 790 D CA -0.392 53.634 54.000 0.043 0.000 0.929 790 D CB 1.672 42.500 40.800 0.047 0.000 1.182 790 D HN -0.056 nan 8.370 nan 0.000 0.433 791 L N 2.858 124.118 121.223 0.061 0.000 2.264 791 L HA 0.243 4.606 4.340 0.039 0.000 0.287 791 L C -1.286 175.643 176.870 0.098 0.000 1.039 791 L CA -0.758 54.124 54.840 0.069 0.000 0.829 791 L CB 0.424 42.504 42.059 0.035 0.000 1.211 791 L HN 0.241 nan 8.230 nan 0.000 0.427 792 Y N 6.047 126.354 120.300 0.011 0.000 2.359 792 Y HA 0.516 5.089 4.550 0.038 0.000 0.334 792 Y C -0.584 175.325 175.900 0.015 0.000 1.058 792 Y CA -0.207 57.900 58.100 0.012 0.000 1.244 792 Y CB 0.806 39.272 38.460 0.010 0.000 1.187 792 Y HN 0.667 nan 8.280 nan 0.000 0.510 793 I N 6.011 126.215 120.570 -0.610 0.000 2.689 793 I HA 0.631 4.824 4.170 0.039 0.000 0.299 793 I C -1.322 174.406 176.117 -0.649 0.000 1.059 793 I CA -0.408 60.614 61.300 -0.464 0.000 1.055 793 I CB 1.620 39.500 38.000 -0.199 0.000 1.243 793 I HN 0.762 nan 8.210 nan 0.000 0.425 794 S N 5.436 120.917 115.700 -0.364 0.000 2.536 794 S HA 0.639 5.132 4.470 0.039 0.000 0.271 794 S C -1.266 173.292 174.600 -0.070 0.000 1.134 794 S CA -0.740 57.332 58.200 -0.213 0.000 0.897 794 S CB 1.306 64.426 63.200 -0.133 0.000 1.094 794 S HN 0.676 nan 8.310 nan 0.000 0.473 795 C N 2.065 121.342 119.300 -0.038 0.000 2.417 795 C HA 0.857 5.340 4.460 0.039 0.000 0.324 795 C C 0.044 175.043 174.990 0.014 0.000 1.240 795 C CA -0.366 58.656 59.018 0.007 0.000 1.632 795 C CB 1.229 28.973 27.740 0.007 0.000 2.241 795 C HN 0.955 nan 8.230 nan 0.000 0.499 796 T N 4.458 119.036 114.554 0.040 0.000 2.815 796 T HA 0.503 4.876 4.350 0.039 0.000 0.289 796 T C -0.435 174.291 174.700 0.042 0.000 1.000 796 T CA -0.185 61.923 62.100 0.014 0.000 0.958 796 T CB 0.674 69.529 68.868 -0.022 0.000 0.944 796 T HN 0.557 nan 8.240 nan 0.000 0.442 797 M N 5.274 124.885 119.600 0.019 0.000 2.006 797 M HA 0.272 4.775 4.480 0.039 0.000 0.314 797 M C -1.892 174.410 176.300 0.005 0.000 0.926 797 M CA -2.151 53.180 55.300 0.053 0.000 0.906 797 M CB 2.318 34.945 32.600 0.045 0.000 1.422 797 M HN 0.246 nan 8.290 nan 0.000 0.397 798 P HA -0.004 nan 4.420 nan 0.000 0.236 798 P C 0.166 177.451 177.300 -0.025 0.000 1.177 798 P CA 0.761 63.803 63.100 -0.096 0.000 0.773 798 P CB 0.217 31.752 31.700 -0.274 0.000 0.878 799 S N -1.196 114.526 115.700 0.037 0.000 2.526 799 S HA 0.342 4.835 4.470 0.039 0.000 0.220 799 S C -0.010 174.629 174.600 0.064 0.000 1.159 799 S CA -0.634 57.596 58.200 0.049 0.000 1.196 799 S CB -1.134 62.109 63.200 0.073 0.000 1.225 799 S HN -0.079 nan 8.310 nan 0.000 0.432 800 I N 2.531 123.137 120.570 0.061 0.000 2.483 800 I HA 0.126 4.319 4.170 0.039 0.000 0.291 800 I C 0.075 176.255 176.117 0.105 0.000 1.112 800 I CA 0.226 61.585 61.300 0.097 0.000 1.350 800 I CB 0.238 38.288 38.000 0.083 0.000 1.419 800 I HN 0.388 nan 8.210 nan 0.000 0.523 801 E N 7.523 127.814 120.200 0.152 0.000 2.081 801 E HA 0.648 5.021 4.350 0.039 0.000 0.281 801 E C -0.630 176.012 176.600 0.070 0.000 0.986 801 E CA -0.211 56.253 56.400 0.106 0.000 0.796 801 E CB 1.867 31.632 29.700 0.110 0.000 1.085 801 E HN 0.476 nan 8.360 nan 0.000 0.398 802 I N 1.551 122.108 120.570 -0.022 0.000 2.984 802 I HA 0.665 4.858 4.170 0.039 0.000 0.303 802 I C -0.949 175.097 176.117 -0.118 0.000 1.381 802 I CA -0.485 60.736 61.300 -0.133 0.000 0.988 802 I CB 2.217 40.159 38.000 -0.097 0.000 1.307 802 I HN 0.607 nan 8.210 nan 0.000 0.460 803 G N 0.764 109.470 108.800 -0.157 0.000 2.646 803 G HA2 0.446 4.430 3.960 0.039 0.000 0.291 803 G HA3 0.446 4.430 3.960 0.039 0.000 0.291 803 G C -0.369 174.458 174.900 -0.121 0.000 1.445 803 G CA 0.257 45.284 45.100 -0.121 0.000 0.814 803 G HN 0.604 nan 8.290 nan 0.000 0.495 804 T N -2.746 111.749 114.554 -0.098 0.000 3.040 804 T HA 0.459 4.832 4.350 0.039 0.000 0.266 804 T C 0.164 174.825 174.700 -0.065 0.000 1.005 804 T CA 0.067 62.119 62.100 -0.080 0.000 0.906 804 T CB 0.400 69.228 68.868 -0.068 0.000 1.082 804 T HN 0.582 nan 8.240 nan 0.000 0.531 805 V N 0.871 120.745 119.914 -0.068 0.000 2.789 805 V HA 0.819 4.962 4.120 0.039 0.000 0.311 805 V C 0.583 176.651 176.094 -0.043 0.000 1.073 805 V CA 0.009 62.279 62.300 -0.050 0.000 0.921 805 V CB 0.963 32.756 31.823 -0.051 0.000 1.009 805 V HN 0.879 nan 8.190 nan 0.000 0.426 806 G N 2.470 111.254 108.800 -0.027 0.000 2.699 806 G HA2 0.445 4.428 3.960 0.039 0.000 0.686 806 G HA3 0.445 4.428 3.960 0.039 0.000 0.686 806 G C 0.478 175.367 174.900 -0.020 0.000 1.301 806 G CA -0.167 44.923 45.100 -0.017 0.000 0.816 806 G HN 2.337 nan 8.290 nan 0.000 0.595 807 G N -0.072 108.723 108.800 -0.008 0.000 2.611 807 G HA2 0.149 4.132 3.960 0.039 0.000 0.301 807 G HA3 0.149 4.132 3.960 0.039 0.000 0.301 807 G C 1.933 176.831 174.900 -0.004 0.000 1.233 807 G CA 1.996 47.093 45.100 -0.005 0.000 0.993 807 G HN 2.526 nan 8.290 nan 0.000 0.553 808 G N -0.408 108.387 108.800 -0.008 0.000 2.679 808 G HA2 0.230 4.213 3.960 0.039 0.000 0.212 808 G HA3 0.230 4.213 3.960 0.039 0.000 0.212 808 G C 1.731 176.621 174.900 -0.017 0.000 1.137 808 G CA 2.139 47.237 45.100 -0.003 0.000 0.787 808 G HN 1.881 nan 8.290 nan 0.000 0.534 809 T N -2.438 112.097 114.554 -0.032 0.000 3.148 809 T HA 0.061 4.434 4.350 0.039 0.000 0.253 809 T C 1.747 176.430 174.700 -0.028 0.000 1.134 809 T CA 0.371 62.448 62.100 -0.037 0.000 1.051 809 T CB -0.115 68.721 68.868 -0.052 0.000 0.959 809 T HN 0.112 nan 8.240 nan 0.000 0.525 810 N N 0.778 119.466 118.700 -0.020 0.000 2.424 810 N HA 0.205 4.968 4.740 0.039 0.000 0.178 810 N C 0.382 175.875 175.510 -0.028 0.000 1.060 810 N CA 0.146 53.184 53.050 -0.019 0.000 0.901 810 N CB 0.028 38.510 38.487 -0.009 0.000 0.979 810 N HN 0.496 nan 8.380 nan 0.000 0.451 811 L N 1.065 122.272 121.223 -0.026 0.000 2.395 811 L HA 0.183 4.546 4.340 0.039 0.000 0.269 811 L C 1.837 178.671 176.870 -0.059 0.000 1.133 811 L CA -0.353 54.460 54.840 -0.045 0.000 0.812 811 L CB 1.086 43.142 42.059 -0.005 0.000 1.125 811 L HN -0.082 nan 8.230 nan 0.000 0.452 812 L N 1.889 123.052 121.223 -0.100 0.000 2.072 812 L HA -0.056 4.307 4.340 0.039 0.000 0.205 812 L C -0.422 176.408 176.870 -0.066 0.000 1.079 812 L CA 1.046 55.833 54.840 -0.089 0.000 0.752 812 L CB -1.391 40.596 42.059 -0.120 0.000 0.906 812 L HN 0.569 nan 8.230 nan 0.000 0.436 813 P HA -0.173 nan 4.420 nan 0.000 0.215 813 P C 1.418 178.707 177.300 -0.017 0.000 1.153 813 P CA 1.161 64.240 63.100 -0.035 0.000 0.853 813 P CB 0.087 31.776 31.700 -0.019 0.000 0.788 814 Q N -0.512 119.280 119.800 -0.013 0.000 2.124 814 Q HA -0.161 4.202 4.340 0.039 0.000 0.202 814 Q C 2.318 178.306 176.000 -0.019 0.000 0.977 814 Q CA 1.491 57.287 55.803 -0.011 0.000 0.850 814 Q CB -0.787 27.945 28.738 -0.010 0.000 0.901 814 Q HN 0.383 nan 8.270 nan 0.000 0.429 815 Q N -0.675 119.109 119.800 -0.025 0.000 2.226 815 Q HA -0.114 4.249 4.340 0.039 0.000 0.204 815 Q C 1.965 177.955 176.000 -0.018 0.000 0.975 815 Q CA 1.111 56.899 55.803 -0.025 0.000 0.866 815 Q CB -0.157 28.563 28.738 -0.030 0.000 0.915 815 Q HN 0.438 nan 8.270 nan 0.000 0.440 816 A N 0.059 122.868 122.820 -0.018 0.000 1.898 816 A HA -0.179 4.165 4.320 0.039 0.000 0.216 816 A C 2.257 179.840 177.584 -0.001 0.000 1.181 816 A CA 1.167 53.197 52.037 -0.011 0.000 0.620 816 A CB -0.794 18.198 19.000 -0.014 0.000 0.819 816 A HN 0.474 nan 8.150 nan 0.000 0.442 817 C N -0.864 118.436 119.300 -0.001 0.000 2.440 817 C HA 0.028 4.511 4.460 0.039 0.000 0.278 817 C C 2.611 177.605 174.990 0.007 0.000 1.295 817 C CA 0.829 59.851 59.018 0.007 0.000 1.738 817 C CB -1.428 26.316 27.740 0.006 0.000 1.987 817 C HN 0.618 nan 8.230 nan 0.000 0.492 818 L N 0.060 121.280 121.223 -0.004 0.000 2.093 818 L HA -0.192 4.171 4.340 0.039 0.000 0.208 818 L C 2.726 179.601 176.870 0.009 0.000 1.085 818 L CA 1.432 56.267 54.840 -0.007 0.000 0.755 818 L CB -0.613 41.432 42.059 -0.022 0.000 0.904 818 L HN 0.437 nan 8.230 nan 0.000 0.435 819 Q N -0.696 119.109 119.800 0.008 0.000 2.123 819 Q HA -0.163 4.200 4.340 0.039 0.000 0.199 819 Q C 2.333 178.351 176.000 0.030 0.000 0.966 819 Q CA 1.261 57.073 55.803 0.015 0.000 0.845 819 Q CB -0.045 28.696 28.738 0.005 0.000 0.907 819 Q HN 0.496 nan 8.270 nan 0.000 0.439 820 M N 0.013 119.632 119.600 0.032 0.000 2.144 820 M HA -0.217 4.286 4.480 0.039 0.000 0.260 820 M C 1.717 178.068 176.300 0.085 0.000 1.067 820 M CA 1.433 56.760 55.300 0.046 0.000 1.095 820 M CB -0.132 32.494 32.600 0.043 0.000 1.365 820 M HN 0.220 nan 8.290 nan 0.000 0.406 821 L N -1.111 120.173 121.223 0.101 0.000 2.446 821 L HA 0.161 4.524 4.340 0.039 0.000 0.219 821 L C 1.188 178.181 176.870 0.204 0.000 1.116 821 L CA 0.250 55.203 54.840 0.188 0.000 0.844 821 L CB -0.316 41.800 42.059 0.094 0.000 0.970 821 L HN 0.589 nan 8.230 nan 0.000 0.457 822 G N 0.825 109.691 108.800 0.109 0.000 2.212 822 G HA2 -0.224 3.759 3.960 0.039 0.000 0.255 822 G HA3 -0.224 3.759 3.960 0.039 0.000 0.255 822 G C 0.451 175.394 174.900 0.073 0.000 1.062 822 G CA 0.296 45.448 45.100 0.087 0.000 0.815 822 G HN 0.353 nan 8.290 nan 0.000 0.497 823 V N -3.679 116.260 119.914 0.043 0.000 3.337 823 V HA 0.469 4.612 4.120 0.039 0.000 0.307 823 V C 0.649 176.739 176.094 -0.007 0.000 1.505 823 V CA 0.513 62.822 62.300 0.014 0.000 1.072 823 V CB 0.808 32.626 31.823 -0.007 0.000 0.929 823 V HN 0.471 nan 8.190 nan 0.000 0.455 824 Q N 2.169 121.967 119.800 -0.003 0.000 2.300 824 Q HA 0.458 4.821 4.340 0.039 0.000 0.280 824 Q C 0.700 176.691 176.000 -0.015 0.000 1.033 824 Q CA 1.926 57.721 55.803 -0.014 0.000 0.903 824 Q CB 0.841 29.573 28.738 -0.009 0.000 1.195 824 Q HN 1.267 nan 8.270 nan 0.000 0.386 825 G N 2.526 111.312 108.800 -0.024 0.000 2.741 825 G HA2 -0.151 3.832 3.960 0.039 0.000 0.222 825 G HA3 -0.151 3.832 3.960 0.039 0.000 0.222 825 G C -0.640 174.244 174.900 -0.028 0.000 1.364 825 G CA -0.316 44.770 45.100 -0.022 0.000 0.866 825 G HN 1.035 nan 8.290 nan 0.000 0.555 826 A N -1.131 121.677 122.820 -0.020 0.000 2.425 826 A HA 0.517 4.860 4.320 0.039 0.000 0.249 826 A C 0.851 178.431 177.584 -0.007 0.000 1.084 826 A CA 0.777 52.799 52.037 -0.025 0.000 0.781 826 A CB 0.642 19.645 19.000 0.005 0.000 1.019 826 A HN 2.282 nan 8.150 nan 0.000 0.490 827 C N 4.353 123.645 119.300 -0.014 0.000 2.246 827 C HA 0.390 4.873 4.460 0.039 0.000 0.329 827 C C 1.653 176.661 174.990 0.032 0.000 1.221 827 C CA -0.725 58.297 59.018 0.007 0.000 1.697 827 C CB -0.912 26.828 27.740 -0.001 0.000 2.312 827 C HN 0.965 nan 8.230 nan 0.000 0.509 828 K N 2.877 123.301 120.400 0.040 0.000 2.062 828 K HA -0.073 4.270 4.320 0.039 0.000 0.205 828 K C 0.820 177.453 176.600 0.056 0.000 1.051 828 K CA 1.435 57.756 56.287 0.057 0.000 0.941 828 K CB -0.068 32.459 32.500 0.045 0.000 0.719 828 K HN 0.609 nan 8.250 nan 0.000 0.440 829 D N 0.850 121.274 120.400 0.041 0.000 2.224 829 D HA -0.066 4.597 4.640 0.039 0.000 0.205 829 D C 0.112 176.438 176.300 0.043 0.000 0.965 829 D CA 0.926 54.949 54.000 0.038 0.000 0.852 829 D CB -0.026 40.791 40.800 0.028 0.000 0.947 829 D HN 0.159 nan 8.370 nan 0.000 0.494 830 N N 0.111 118.836 118.700 0.043 0.000 2.751 830 N HA 0.166 4.929 4.740 0.039 0.000 0.238 830 N C -2.955 172.576 175.510 0.034 0.000 1.351 830 N CA -1.490 51.584 53.050 0.041 0.000 0.751 830 N CB 1.237 39.742 38.487 0.029 0.000 1.342 830 N HN -0.287 nan 8.380 nan 0.000 0.540 831 P HA 0.133 nan 4.420 nan 0.000 0.263 831 P C 0.888 178.153 177.300 -0.059 0.000 1.175 831 P CA 1.079 64.187 63.100 0.013 0.000 0.761 831 P CB 0.502 32.304 31.700 0.171 0.000 0.794 832 G N 2.359 111.072 108.800 -0.145 0.000 2.184 832 G HA2 -0.332 3.651 3.960 0.039 0.000 0.264 832 G HA3 -0.332 3.651 3.960 0.039 0.000 0.264 832 G C 1.161 176.022 174.900 -0.065 0.000 0.975 832 G CA 0.687 45.714 45.100 -0.121 0.000 0.642 832 G HN 0.544 nan 8.290 nan 0.000 0.536 833 E N 0.972 121.148 120.200 -0.041 0.000 2.107 833 E HA -0.011 4.362 4.350 0.039 0.000 0.191 833 E C 2.238 178.826 176.600 -0.021 0.000 0.982 833 E CA 1.727 58.117 56.400 -0.018 0.000 0.809 833 E CB -0.312 29.389 29.700 0.001 0.000 0.756 833 E HN 0.484 nan 8.360 nan 0.000 0.459 834 N N 0.160 118.841 118.700 -0.031 0.000 2.171 834 N HA -0.052 4.711 4.740 0.039 0.000 0.184 834 N C 1.527 177.007 175.510 -0.050 0.000 1.021 834 N CA 1.437 54.469 53.050 -0.030 0.000 0.854 834 N CB -0.523 37.946 38.487 -0.031 0.000 0.994 834 N HN 0.283 nan 8.380 nan 0.000 0.426 835 A N 1.315 124.095 122.820 -0.066 0.000 1.902 835 A HA -0.090 4.253 4.320 0.039 0.000 0.217 835 A C 2.246 179.794 177.584 -0.060 0.000 1.181 835 A CA 1.132 53.125 52.037 -0.073 0.000 0.623 835 A CB -0.370 18.578 19.000 -0.086 0.000 0.818 835 A HN 0.211 nan 8.150 nan 0.000 0.443 836 R N -1.221 119.250 120.500 -0.048 0.000 2.092 836 R HA -0.150 4.214 4.340 0.039 0.000 0.231 836 R C 2.491 178.764 176.300 -0.044 0.000 1.119 836 R CA 1.563 57.641 56.100 -0.037 0.000 0.970 836 R CB -0.222 30.064 30.300 -0.023 0.000 0.864 836 R HN 0.625 nan 8.270 nan 0.000 0.440 837 Q N 0.977 120.750 119.800 -0.046 0.000 2.046 837 Q HA -0.138 4.225 4.340 0.039 0.000 0.200 837 Q C 1.887 177.804 176.000 -0.138 0.000 0.975 837 Q CA 1.347 57.111 55.803 -0.065 0.000 0.836 837 Q CB -0.298 28.428 28.738 -0.020 0.000 0.896 837 Q HN 0.215 nan 8.270 nan 0.000 0.428 838 L N 0.252 121.406 121.223 -0.115 0.000 2.042 838 L HA -0.053 4.311 4.340 0.039 0.000 0.210 838 L C 2.114 178.921 176.870 -0.105 0.000 1.076 838 L CA 2.258 57.020 54.840 -0.130 0.000 0.749 838 L CB -1.184 40.815 42.059 -0.101 0.000 0.893 838 L HN 0.272 nan 8.230 nan 0.000 0.432 839 A N -0.427 122.352 122.820 -0.069 0.000 1.908 839 A HA -0.250 4.093 4.320 0.039 0.000 0.218 839 A C 2.402 179.955 177.584 -0.052 0.000 1.181 839 A CA 1.983 53.999 52.037 -0.034 0.000 0.627 839 A CB -0.555 18.433 19.000 -0.020 0.000 0.818 839 A HN 0.526 nan 8.150 nan 0.000 0.445 840 R N -0.705 119.746 120.500 -0.081 0.000 2.092 840 R HA 0.027 4.390 4.340 0.039 0.000 0.231 840 R C 1.925 178.140 176.300 -0.142 0.000 1.119 840 R CA 1.427 57.474 56.100 -0.089 0.000 0.970 840 R CB -0.429 29.825 30.300 -0.077 0.000 0.864 840 R HN 0.572 nan 8.270 nan 0.000 0.440 841 I N 0.069 120.493 120.570 -0.242 0.000 2.315 841 I HA -0.233 3.960 4.170 0.039 0.000 0.248 841 I C 2.136 178.163 176.117 -0.150 0.000 1.117 841 I CA 0.955 62.066 61.300 -0.315 0.000 1.404 841 I CB -0.123 37.580 38.000 -0.496 0.000 1.071 841 I HN -0.027 nan 8.210 nan 0.000 0.419 842 V N -0.064 119.798 119.914 -0.088 0.000 2.307 842 V HA -0.346 3.797 4.120 0.039 0.000 0.245 842 V C 2.562 178.634 176.094 -0.037 0.000 1.045 842 V CA 1.970 64.253 62.300 -0.028 0.000 1.024 842 V CB -0.434 31.418 31.823 0.049 0.000 0.651 842 V HN 0.632 nan 8.190 nan 0.000 0.449 843 C N 0.758 120.037 119.300 -0.035 0.000 2.425 843 C HA -0.070 4.413 4.460 0.039 0.000 0.277 843 C C 2.913 177.883 174.990 -0.032 0.000 1.280 843 C CA 0.971 59.973 59.018 -0.028 0.000 1.744 843 C CB -1.528 26.200 27.740 -0.021 0.000 1.989 843 C HN 0.660 nan 8.230 nan 0.000 0.491 844 G N -0.685 108.089 108.800 -0.043 0.000 2.402 844 G HA2 -0.130 3.853 3.960 0.039 0.000 0.216 844 G HA3 -0.130 3.853 3.960 0.039 0.000 0.216 844 G C 1.772 176.658 174.900 -0.023 0.000 1.162 844 G CA 1.512 46.595 45.100 -0.029 0.000 0.777 844 G HN 0.532 nan 8.290 nan 0.000 0.539 845 T N 0.887 115.420 114.554 -0.035 0.000 2.821 845 T HA -0.078 4.295 4.350 0.039 0.000 0.267 845 T C 2.523 177.199 174.700 -0.040 0.000 1.046 845 T CA 1.010 63.093 62.100 -0.029 0.000 1.139 845 T CB -0.204 68.643 68.868 -0.035 0.000 0.871 845 T HN 0.042 nan 8.240 nan 0.000 0.454 846 V N 1.775 121.657 119.914 -0.052 0.000 2.287 846 V HA -0.235 3.908 4.120 0.039 0.000 0.248 846 V C 2.459 178.534 176.094 -0.031 0.000 1.053 846 V CA 2.010 64.270 62.300 -0.066 0.000 1.027 846 V CB -0.571 31.218 31.823 -0.056 0.000 0.646 846 V HN 0.493 nan 8.190 nan 0.000 0.447 847 M N -0.328 119.260 119.600 -0.019 0.000 2.149 847 M HA -0.184 4.319 4.480 0.039 0.000 0.261 847 M C 2.124 178.426 176.300 0.003 0.000 1.064 847 M CA 2.176 57.469 55.300 -0.010 0.000 1.102 847 M CB -0.287 32.297 32.600 -0.026 0.000 1.369 847 M HN 0.362 nan 8.290 nan 0.000 0.408 848 A N 0.129 122.952 122.820 0.004 0.000 1.883 848 A HA -0.083 4.261 4.320 0.039 0.000 0.217 848 A C 2.287 179.898 177.584 0.045 0.000 1.186 848 A CA 1.903 53.951 52.037 0.019 0.000 0.624 848 A CB -1.744 17.267 19.000 0.018 0.000 0.822 848 A HN 0.627 nan 8.150 nan 0.000 0.444 849 G N -0.544 108.284 108.800 0.047 0.000 2.440 849 G HA2 -0.214 3.769 3.960 0.039 0.000 0.218 849 G HA3 -0.214 3.769 3.960 0.039 0.000 0.218 849 G C 1.396 176.480 174.900 0.306 0.000 1.154 849 G CA 1.026 46.214 45.100 0.147 0.000 0.767 849 G HN 0.517 nan 8.290 nan 0.000 0.552 850 E N 0.186 120.489 120.200 0.171 0.000 2.106 850 E HA 0.003 4.376 4.350 0.039 0.000 0.192 850 E C 2.573 179.214 176.600 0.067 0.000 0.984 850 E CA 0.182 56.666 56.400 0.140 0.000 0.806 850 E CB -0.306 29.443 29.700 0.082 0.000 0.750 850 E HN 0.407 nan 8.360 nan 0.000 0.458 851 L N 0.600 121.852 121.223 0.047 0.000 2.017 851 L HA -0.192 4.171 4.340 0.039 0.000 0.208 851 L C 2.666 179.548 176.870 0.020 0.000 1.073 851 L CA 1.253 56.105 54.840 0.021 0.000 0.745 851 L CB -0.249 41.817 42.059 0.012 0.000 0.894 851 L HN 0.121 nan 8.230 nan 0.000 0.432 852 S N -0.384 115.338 115.700 0.037 0.000 2.345 852 S HA -0.184 4.309 4.470 0.039 0.000 0.220 852 S C 1.857 176.452 174.600 -0.009 0.000 1.031 852 S CA 1.322 59.536 58.200 0.023 0.000 0.996 852 S CB -0.264 62.962 63.200 0.043 0.000 0.882 852 S HN 0.313 nan 8.310 nan 0.000 0.445 853 L N 1.806 123.008 121.223 -0.035 0.000 2.046 853 L HA 0.014 4.377 4.340 0.039 0.000 0.208 853 L C 2.225 179.032 176.870 -0.105 0.000 1.077 853 L CA 1.910 56.658 54.840 -0.153 0.000 0.747 853 L CB -0.709 41.064 42.059 -0.476 0.000 0.896 853 L HN 0.322 nan 8.230 nan 0.000 0.432 854 M N -0.809 118.755 119.600 -0.061 0.000 2.175 854 M HA -0.093 4.410 4.480 0.039 0.000 0.264 854 M C 2.411 178.695 176.300 -0.026 0.000 1.063 854 M CA 1.590 56.868 55.300 -0.037 0.000 1.119 854 M CB -1.625 30.967 32.600 -0.012 0.000 1.377 854 M HN 0.435 nan 8.290 nan 0.000 0.415 855 A N 0.498 123.307 122.820 -0.018 0.000 1.883 855 A HA -0.046 4.297 4.320 0.039 0.000 0.217 855 A C 2.443 180.016 177.584 -0.018 0.000 1.186 855 A CA 2.278 54.308 52.037 -0.012 0.000 0.624 855 A CB -0.944 18.052 19.000 -0.006 0.000 0.822 855 A HN 0.479 nan 8.150 nan 0.000 0.444 856 A N -0.542 122.262 122.820 -0.028 0.000 1.933 856 A HA 0.013 4.356 4.320 0.039 0.000 0.218 856 A C 2.167 179.731 177.584 -0.033 0.000 1.175 856 A CA 1.444 53.463 52.037 -0.030 0.000 0.628 856 A CB -0.529 18.448 19.000 -0.039 0.000 0.814 856 A HN 0.476 nan 8.150 nan 0.000 0.444 857 L N -0.971 120.227 121.223 -0.042 0.000 2.072 857 L HA -0.130 4.233 4.340 0.039 0.000 0.205 857 L C 3.072 179.928 176.870 -0.024 0.000 1.079 857 L CA 0.966 55.783 54.840 -0.038 0.000 0.752 857 L CB -0.498 41.533 42.059 -0.046 0.000 0.906 857 L HN 0.415 nan 8.230 nan 0.000 0.436 858 A N -0.007 122.801 122.820 -0.019 0.000 1.930 858 A HA -0.120 4.223 4.320 0.039 0.000 0.217 858 A C 2.476 180.054 177.584 -0.010 0.000 1.175 858 A CA 1.656 53.686 52.037 -0.011 0.000 0.627 858 A CB -0.579 18.417 19.000 -0.007 0.000 0.815 858 A HN 0.393 nan 8.150 nan 0.000 0.443 859 A N -1.165 121.648 122.820 -0.011 0.000 1.968 859 A HA 0.417 4.760 4.320 0.039 0.000 0.217 859 A C 1.783 179.361 177.584 -0.010 0.000 1.169 859 A CA 1.502 53.534 52.037 -0.009 0.000 0.638 859 A CB -1.246 17.749 19.000 -0.008 0.000 0.812 859 A HN 2.112 nan 8.150 nan 0.000 0.446 860 G N 0.000 108.792 108.800 -0.014 0.000 5.446 860 G HA2 0.000 3.983 3.960 0.039 0.000 0.244 860 G HA3 0.000 3.983 3.960 0.039 0.000 0.244 860 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925