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 3cda_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 0.000 177.297 177.300 -0.006 0.000 1.155 444 P CA 0.000 63.102 63.100 0.004 0.000 0.800 444 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 445 N N 0.568 119.269 118.700 0.001 0.000 2.171 445 N HA -0.097 4.643 4.740 0.001 0.000 0.184 445 N C 1.091 176.508 175.510 -0.154 0.000 1.021 445 N CA 1.170 54.205 53.050 -0.025 0.000 0.854 445 N CB 0.336 38.883 38.487 0.099 0.000 0.994 445 N HN 0.576 nan 8.380 nan 0.000 0.426 446 E N 0.392 120.519 120.200 -0.122 0.000 2.318 446 E HA 0.041 4.391 4.350 0.001 0.000 0.193 446 E C 1.379 177.921 176.600 -0.097 0.000 0.998 446 E CA 0.220 56.531 56.400 -0.148 0.000 0.859 446 E CB 0.270 29.912 29.700 -0.096 0.000 0.812 446 E HN 0.363 nan 8.360 nan 0.000 0.492 447 E N -0.522 119.640 120.200 -0.063 0.000 2.112 447 E HA -0.128 4.222 4.350 0.001 0.000 0.190 447 E C 1.774 178.346 176.600 -0.048 0.000 0.979 447 E CA 0.699 57.072 56.400 -0.046 0.000 0.814 447 E CB 0.071 29.756 29.700 -0.025 0.000 0.762 447 E HN 0.290 nan 8.360 nan 0.000 0.460 448 C N 0.561 119.831 119.300 -0.050 0.000 2.440 448 C HA -0.061 4.400 4.460 0.001 0.000 0.278 448 C C 2.484 177.440 174.990 -0.056 0.000 1.295 448 C CA 0.371 59.366 59.018 -0.039 0.000 1.738 448 C CB -0.798 26.926 27.740 -0.028 0.000 1.987 448 C HN 0.397 nan 8.230 nan 0.000 0.492 449 L N 0.340 121.507 121.223 -0.093 0.000 2.131 449 L HA -0.189 4.152 4.340 0.001 0.000 0.210 449 L C 2.854 179.679 176.870 -0.075 0.000 1.092 449 L CA 1.234 56.016 54.840 -0.097 0.000 0.759 449 L CB -0.701 41.270 42.059 -0.147 0.000 0.903 449 L HN 0.376 nan 8.230 nan 0.000 0.435 450 Q N 0.063 119.819 119.800 -0.073 0.000 2.084 450 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 450 Q C 2.312 178.267 176.000 -0.075 0.000 0.978 450 Q CA 1.614 57.377 55.803 -0.067 0.000 0.844 450 Q CB -0.214 28.487 28.738 -0.061 0.000 0.898 450 Q HN 0.582 nan 8.270 nan 0.000 0.426 451 I N 0.169 120.697 120.570 -0.071 0.000 2.676 451 I HA -0.193 3.978 4.170 0.001 0.000 0.259 451 I C 2.205 178.275 176.117 -0.079 0.000 1.194 451 I CA 0.442 61.687 61.300 -0.091 0.000 1.473 451 I CB -0.096 37.874 38.000 -0.050 0.000 1.096 451 I HN 0.087 nan 8.210 nan 0.000 0.443 452 L N 0.238 121.430 121.223 -0.052 0.000 2.095 452 L HA -0.020 4.321 4.340 0.001 0.000 0.204 452 L C 2.521 179.364 176.870 -0.045 0.000 1.080 452 L CA 1.296 56.114 54.840 -0.037 0.000 0.759 452 L CB -0.565 41.476 42.059 -0.030 0.000 0.914 452 L HN 0.286 nan 8.230 nan 0.000 0.439 453 G N -0.712 108.057 108.800 -0.053 0.000 2.448 453 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 453 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 453 G C 0.535 175.402 174.900 -0.055 0.000 1.135 453 G CA -0.084 44.987 45.100 -0.048 0.000 0.784 453 G HN 0.279 nan 8.290 nan 0.000 0.543 454 N N 0.853 119.506 118.700 -0.078 0.000 2.452 454 N HA 0.368 5.109 4.740 0.001 0.000 0.266 454 N C 1.187 176.645 175.510 -0.086 0.000 1.209 454 N CA 0.462 53.456 53.050 -0.093 0.000 0.929 454 N CB 1.550 39.955 38.487 -0.138 0.000 1.063 454 N HN 0.104 nan 8.380 nan 0.000 0.472 455 A N 2.809 125.592 122.820 -0.063 0.000 2.015 455 A HA -0.169 4.152 4.320 0.001 0.000 0.219 455 A C 1.444 179.000 177.584 -0.046 0.000 1.163 455 A CA 1.258 53.269 52.037 -0.044 0.000 0.646 455 A CB -0.255 18.727 19.000 -0.030 0.000 0.806 455 A HN 0.827 nan 8.150 nan 0.000 0.448 456 E N -1.211 118.948 120.200 -0.069 0.000 2.481 456 E HA 0.160 4.510 4.350 0.001 0.000 0.198 456 E C 1.425 177.952 176.600 -0.122 0.000 1.027 456 E CA -0.068 56.294 56.400 -0.062 0.000 0.900 456 E CB 0.193 29.864 29.700 -0.048 0.000 0.993 456 E HN 0.450 nan 8.360 nan 0.000 0.482 457 K N 0.954 121.213 120.400 -0.234 0.000 2.118 457 K HA 0.241 4.562 4.320 0.001 0.000 0.214 457 K C 0.885 177.367 176.600 -0.195 0.000 1.023 457 K CA 0.898 56.861 56.287 -0.540 0.000 0.948 457 K CB -0.042 32.050 32.500 -0.680 0.000 0.851 457 K HN 0.192 nan 8.250 nan 0.000 0.455 458 G N -0.287 108.453 108.800 -0.100 0.000 2.685 458 G HA2 -0.173 3.788 3.960 0.001 0.000 0.387 458 G HA3 -0.173 3.788 3.960 0.001 0.000 0.387 458 G C 0.223 175.184 174.900 0.102 0.000 1.324 458 G CA -0.207 44.914 45.100 0.036 0.000 0.878 458 G HN 0.385 nan 8.290 nan 0.000 0.527 459 A N -0.388 122.490 122.820 0.096 0.000 2.208 459 A HA 0.270 4.591 4.320 0.001 0.000 0.209 459 A C 2.028 179.687 177.584 0.126 0.000 1.161 459 A CA 1.939 54.032 52.037 0.094 0.000 0.782 459 A CB -0.237 18.794 19.000 0.052 0.000 0.816 459 A HN 0.786 nan 8.150 nan 0.000 0.477 460 K N -0.969 119.533 120.400 0.169 0.000 2.280 460 K HA -0.107 4.213 4.320 0.001 0.000 0.202 460 K C 0.710 177.347 176.600 0.062 0.000 1.047 460 K CA 1.172 57.522 56.287 0.106 0.000 0.942 460 K CB -0.215 32.336 32.500 0.086 0.000 0.739 460 K HN 0.477 nan 8.250 nan 0.000 0.457 461 F N 0.730 120.678 119.950 -0.003 0.000 2.615 461 F HA 0.123 4.651 4.527 0.001 0.000 0.297 461 F C 1.030 176.828 175.800 -0.004 0.000 1.124 461 F CA 0.188 58.186 58.000 -0.004 0.000 1.451 461 F CB 0.082 39.078 39.000 -0.006 0.000 1.103 461 F HN -0.125 nan 8.300 nan 0.000 0.569 462 L N -0.650 120.667 121.223 0.158 0.000 2.469 462 L HA 0.310 4.651 4.340 0.001 0.000 0.253 462 L C 0.791 177.689 176.870 0.047 0.000 1.143 462 L CA -0.630 54.261 54.840 0.085 0.000 0.804 462 L CB 0.988 43.085 42.059 0.064 0.000 1.214 462 L HN -0.019 nan 8.230 nan 0.000 0.476 463 S N -1.719 114.000 115.700 0.033 0.000 2.718 463 S HA 0.260 4.731 4.470 0.001 0.000 0.300 463 S C 0.261 174.871 174.600 0.017 0.000 1.117 463 S CA -0.734 57.478 58.200 0.020 0.000 1.002 463 S CB 1.688 64.898 63.200 0.016 0.000 1.092 463 S HN 0.570 nan 8.310 nan 0.000 0.542 464 D N 1.442 121.850 120.400 0.013 0.000 2.087 464 D HA -0.015 4.625 4.640 0.001 0.000 0.192 464 D C 2.195 178.498 176.300 0.005 0.000 0.993 464 D CA 2.202 56.207 54.000 0.009 0.000 0.828 464 D CB -0.815 39.989 40.800 0.007 0.000 0.968 464 D HN 0.732 nan 8.370 nan 0.000 0.448 465 A N 0.464 123.287 122.820 0.005 0.000 2.019 465 A HA -0.174 4.146 4.320 0.001 0.000 0.219 465 A C 2.003 179.592 177.584 0.008 0.000 1.164 465 A CA 1.378 53.417 52.037 0.004 0.000 0.644 465 A CB -0.425 18.577 19.000 0.004 0.000 0.805 465 A HN 0.229 nan 8.150 nan 0.000 0.449 466 E N -0.430 119.777 120.200 0.012 0.000 2.072 466 E HA -0.077 4.274 4.350 0.001 0.000 0.190 466 E C 1.774 178.383 176.600 0.015 0.000 0.982 466 E CA 0.989 57.398 56.400 0.015 0.000 0.803 466 E CB -0.202 29.508 29.700 0.017 0.000 0.755 466 E HN 0.695 nan 8.360 nan 0.000 0.453 467 I N 0.894 121.471 120.570 0.012 0.000 2.286 467 I HA -0.253 3.918 4.170 0.001 0.000 0.248 467 I C 2.175 178.295 176.117 0.006 0.000 1.115 467 I CA 0.994 62.299 61.300 0.009 0.000 1.392 467 I CB -0.086 37.919 38.000 0.007 0.000 1.065 467 I HN 0.102 nan 8.210 nan 0.000 0.418 468 I N 0.023 120.595 120.570 0.003 0.000 2.439 468 I HA -0.259 3.911 4.170 0.001 0.000 0.251 468 I C 2.609 178.729 176.117 0.005 0.000 1.139 468 I CA 1.050 62.349 61.300 -0.002 0.000 1.438 468 I CB -0.271 37.724 38.000 -0.008 0.000 1.085 468 I HN 0.307 nan 8.210 nan 0.000 0.427 469 Q N 0.629 120.438 119.800 0.014 0.000 2.119 469 Q HA -0.207 4.134 4.340 0.001 0.000 0.201 469 Q C 2.233 178.260 176.000 0.046 0.000 0.972 469 Q CA 1.373 57.190 55.803 0.025 0.000 0.847 469 Q CB 0.160 28.917 28.738 0.030 0.000 0.903 469 Q HN 0.329 nan 8.270 nan 0.000 0.433 470 L N -0.339 120.918 121.223 0.056 0.000 2.017 470 L HA -0.167 4.173 4.340 0.001 0.000 0.208 470 L C 2.312 179.217 176.870 0.058 0.000 1.073 470 L CA 1.231 56.128 54.840 0.095 0.000 0.745 470 L CB -0.962 41.133 42.059 0.059 0.000 0.894 470 L HN 0.099 nan 8.230 nan 0.000 0.432 471 V N -0.396 119.528 119.914 0.015 0.000 2.358 471 V HA -0.262 3.859 4.120 0.001 0.000 0.246 471 V C 2.044 178.126 176.094 -0.020 0.000 1.047 471 V CA 1.882 64.175 62.300 -0.011 0.000 1.035 471 V CB -0.778 31.033 31.823 -0.020 0.000 0.658 471 V HN 0.529 nan 8.190 nan 0.000 0.452 472 N N 0.529 119.219 118.700 -0.016 0.000 2.244 472 N HA -0.099 4.642 4.740 0.001 0.000 0.183 472 N C 1.760 177.244 175.510 -0.043 0.000 1.016 472 N CA 1.111 54.146 53.050 -0.024 0.000 0.866 472 N CB -0.260 38.217 38.487 -0.017 0.000 0.980 472 N HN 0.489 nan 8.380 nan 0.000 0.430 473 A N 1.042 123.830 122.820 -0.054 0.000 2.119 473 A HA -0.019 4.301 4.320 0.001 0.000 0.216 473 A C 0.645 178.112 177.584 -0.194 0.000 1.152 473 A CA 0.674 52.636 52.037 -0.126 0.000 0.708 473 A CB 0.073 18.989 19.000 -0.141 0.000 0.805 473 A HN 0.220 nan 8.150 nan 0.000 0.460 474 K N -1.810 118.517 120.400 -0.123 0.000 3.399 474 K HA -0.186 4.135 4.320 0.001 0.000 0.298 474 K C 0.307 176.846 176.600 -0.101 0.000 1.326 474 K CA 0.858 57.085 56.287 -0.099 0.000 0.874 474 K CB -2.189 30.256 32.500 -0.092 0.000 1.403 474 K HN 0.651 nan 8.250 nan 0.000 0.492 475 H N 0.336 119.387 119.070 -0.031 0.000 2.357 475 H HA 0.086 4.643 4.556 0.001 0.000 0.301 475 H C 0.917 176.215 175.328 -0.049 0.000 1.082 475 H CA 0.887 56.915 56.048 -0.033 0.000 1.342 475 H CB 0.363 30.108 29.762 -0.028 0.000 1.389 475 H HN 0.156 nan 8.280 nan 0.000 0.511 476 I N 1.691 122.299 120.570 0.063 0.000 2.466 476 I HA 0.237 4.408 4.170 0.001 0.000 0.289 476 I C -2.276 173.787 176.117 -0.091 0.000 1.026 476 I CA -2.439 58.844 61.300 -0.028 0.000 1.078 476 I CB 2.059 40.043 38.000 -0.026 0.000 1.249 476 I HN -0.166 nan 8.210 nan 0.000 0.429 477 P HA 0.157 nan 4.420 nan 0.000 0.270 477 P C 0.541 177.678 177.300 -0.272 0.000 1.223 477 P CA -0.122 62.818 63.100 -0.267 0.000 0.785 477 P CB 0.901 32.279 31.700 -0.536 0.000 0.923 478 A N 2.195 124.920 122.820 -0.159 0.000 1.898 478 A HA -0.211 4.110 4.320 0.001 0.000 0.216 478 A C 1.869 179.424 177.584 -0.049 0.000 1.181 478 A CA 1.730 53.726 52.037 -0.067 0.000 0.620 478 A CB -1.871 17.134 19.000 0.009 0.000 0.819 478 A HN 0.753 nan 8.150 nan 0.000 0.442 479 Y N -0.664 119.639 120.300 0.004 0.000 2.574 479 Y HA 0.114 4.665 4.550 0.001 0.000 0.294 479 Y C 1.566 177.471 175.900 0.009 0.000 1.142 479 Y CA 0.962 59.065 58.100 0.005 0.000 1.314 479 Y CB -0.341 38.122 38.460 0.005 0.000 0.991 479 Y HN 0.125 nan 8.280 nan 0.000 0.555 480 K N 0.776 120.996 120.400 -0.300 0.000 2.504 480 K HA 0.072 4.393 4.320 0.001 0.000 0.195 480 K C 1.464 178.036 176.600 -0.046 0.000 1.036 480 K CA 0.627 56.819 56.287 -0.159 0.000 0.984 480 K CB -0.046 32.302 32.500 -0.254 0.000 0.788 480 K HN 0.481 nan 8.250 nan 0.000 0.488 481 L N 0.166 121.372 121.223 -0.028 0.000 2.270 481 L HA -0.066 4.275 4.340 0.001 0.000 0.210 481 L C 2.317 179.203 176.870 0.026 0.000 1.104 481 L CA 0.528 55.366 54.840 -0.003 0.000 0.804 481 L CB -0.170 41.884 42.059 -0.009 0.000 0.937 481 L HN 0.076 nan 8.230 nan 0.000 0.450 482 E N 0.836 121.064 120.200 0.047 0.000 2.058 482 E HA -0.221 4.130 4.350 0.001 0.000 0.194 482 E C 2.109 178.749 176.600 0.068 0.000 0.997 482 E CA 2.311 58.748 56.400 0.062 0.000 0.801 482 E CB -0.081 29.663 29.700 0.074 0.000 0.746 482 E HN 0.465 nan 8.360 nan 0.000 0.450 483 T N -2.095 112.498 114.554 0.065 0.000 3.009 483 T HA 0.008 4.359 4.350 0.001 0.000 0.258 483 T C 1.718 176.444 174.700 0.042 0.000 1.063 483 T CA 0.557 62.692 62.100 0.059 0.000 1.139 483 T CB -0.143 68.764 68.868 0.066 0.000 0.890 483 T HN 0.039 nan 8.240 nan 0.000 0.471 484 L N 0.628 121.870 121.223 0.031 0.000 2.068 484 L HA 0.440 4.780 4.340 0.001 0.000 0.204 484 L C 1.168 178.054 176.870 0.026 0.000 1.076 484 L CA 0.722 55.574 54.840 0.020 0.000 0.753 484 L CB -0.580 41.482 42.059 0.005 0.000 0.910 484 L HN 0.321 nan 8.230 nan 0.000 0.439 485 I N -0.312 120.276 120.570 0.030 0.000 2.634 485 I HA -0.068 4.103 4.170 0.001 0.000 0.284 485 I C 1.511 177.648 176.117 0.034 0.000 1.124 485 I CA 0.040 61.360 61.300 0.034 0.000 1.417 485 I CB 1.121 39.141 38.000 0.034 0.000 1.396 485 I HN 0.107 nan 8.210 nan 0.000 0.571 486 E N 2.742 122.958 120.200 0.027 0.000 2.014 486 E HA -0.073 4.278 4.350 0.001 0.000 0.190 486 E C 0.722 177.303 176.600 -0.031 0.000 0.980 486 E CA 0.954 57.358 56.400 0.005 0.000 0.807 486 E CB 0.082 29.791 29.700 0.015 0.000 0.770 486 E HN 0.734 nan 8.360 nan 0.000 0.451 487 T N -2.111 112.436 114.554 -0.012 0.000 2.909 487 T HA 0.156 4.507 4.350 0.001 0.000 0.289 487 T C 0.726 175.453 174.700 0.046 0.000 1.005 487 T CA -0.195 61.888 62.100 -0.029 0.000 1.084 487 T CB 0.891 69.766 68.868 0.012 0.000 0.975 487 T HN 0.213 nan 8.240 nan 0.000 0.509 488 H N 0.602 119.709 119.070 0.063 0.000 2.357 488 H HA -0.006 4.550 4.556 0.001 0.000 0.301 488 H C 2.203 177.527 175.328 -0.008 0.000 1.082 488 H CA 1.536 57.613 56.048 0.048 0.000 1.342 488 H CB 0.300 30.139 29.762 0.128 0.000 1.389 488 H HN 0.865 nan 8.280 nan 0.000 0.511 489 E N 1.053 121.382 120.200 0.216 0.000 2.153 489 E HA -0.163 4.188 4.350 0.001 0.000 0.194 489 E C 2.274 178.962 176.600 0.146 0.000 0.988 489 E CA 0.562 57.075 56.400 0.187 0.000 0.811 489 E CB 0.164 30.026 29.700 0.271 0.000 0.746 489 E HN 0.273 nan 8.360 nan 0.000 0.466 490 R N -0.546 120.021 120.500 0.111 0.000 2.153 490 R HA -0.028 4.313 4.340 0.001 0.000 0.218 490 R C 2.233 178.557 176.300 0.039 0.000 1.072 490 R CA 0.906 57.055 56.100 0.083 0.000 0.990 490 R CB -0.180 30.158 30.300 0.064 0.000 0.889 490 R HN 0.258 nan 8.270 nan 0.000 0.452 491 G N 0.030 108.849 108.800 0.031 0.000 2.418 491 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 491 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 491 G C 1.343 176.208 174.900 -0.058 0.000 1.158 491 G CA 0.713 45.813 45.100 -0.000 0.000 0.771 491 G HN 0.167 nan 8.290 nan 0.000 0.545 492 V N 0.762 120.611 119.914 -0.108 0.000 2.307 492 V HA -0.169 3.952 4.120 0.001 0.000 0.245 492 V C 3.003 178.983 176.094 -0.190 0.000 1.045 492 V CA 2.150 64.343 62.300 -0.178 0.000 1.024 492 V CB -0.453 31.204 31.823 -0.276 0.000 0.651 492 V HN 0.485 nan 8.190 nan 0.000 0.449 493 S N -0.178 115.450 115.700 -0.119 0.000 2.359 493 S HA -0.198 4.273 4.470 0.001 0.000 0.224 493 S C 1.915 176.426 174.600 -0.149 0.000 1.035 493 S CA 1.990 60.076 58.200 -0.190 0.000 1.018 493 S CB -0.379 62.847 63.200 0.043 0.000 0.876 493 S HN 0.479 nan 8.310 nan 0.000 0.448 494 I N 0.910 121.434 120.570 -0.076 0.000 2.439 494 I HA -0.042 4.129 4.170 0.001 0.000 0.251 494 I C 2.706 178.779 176.117 -0.073 0.000 1.139 494 I CA 0.973 62.237 61.300 -0.059 0.000 1.438 494 I CB -0.238 37.746 38.000 -0.026 0.000 1.085 494 I HN 0.264 nan 8.210 nan 0.000 0.427 495 R N 0.756 121.205 120.500 -0.085 0.000 2.075 495 R HA -0.136 4.205 4.340 0.001 0.000 0.232 495 R C 2.433 178.673 176.300 -0.100 0.000 1.126 495 R CA 1.345 57.398 56.100 -0.079 0.000 0.963 495 R CB -0.050 30.204 30.300 -0.077 0.000 0.858 495 R HN 0.220 nan 8.270 nan 0.000 0.435 496 R N -0.014 120.393 120.500 -0.155 0.000 2.081 496 R HA -0.149 4.192 4.340 0.001 0.000 0.235 496 R C 2.491 178.712 176.300 -0.132 0.000 1.131 496 R CA 1.990 57.985 56.100 -0.175 0.000 0.960 496 R CB -0.225 29.895 30.300 -0.300 0.000 0.856 496 R HN 0.392 nan 8.270 nan 0.000 0.436 497 Q N 0.370 120.096 119.800 -0.123 0.000 2.046 497 Q HA -0.118 4.223 4.340 0.001 0.000 0.200 497 Q C 2.264 178.227 176.000 -0.061 0.000 0.975 497 Q CA 1.227 56.978 55.803 -0.086 0.000 0.836 497 Q CB -0.090 28.605 28.738 -0.072 0.000 0.896 497 Q HN 0.331 nan 8.270 nan 0.000 0.428 498 L N 0.238 121.428 121.223 -0.055 0.000 2.017 498 L HA -0.214 4.127 4.340 0.001 0.000 0.208 498 L C 2.385 179.232 176.870 -0.038 0.000 1.073 498 L CA 0.625 55.441 54.840 -0.040 0.000 0.745 498 L CB -0.439 41.600 42.059 -0.033 0.000 0.894 498 L HN 0.272 nan 8.230 nan 0.000 0.432 499 L N -0.987 120.208 121.223 -0.047 0.000 2.083 499 L HA -0.183 4.158 4.340 0.001 0.000 0.209 499 L C 2.502 179.347 176.870 -0.041 0.000 1.083 499 L CA 1.776 56.591 54.840 -0.042 0.000 0.752 499 L CB -0.554 41.475 42.059 -0.050 0.000 0.899 499 L HN 0.064 nan 8.230 nan 0.000 0.433 500 S N -0.631 115.038 115.700 -0.051 0.000 2.383 500 S HA -0.144 4.327 4.470 0.001 0.000 0.227 500 S C 1.889 176.469 174.600 -0.035 0.000 1.026 500 S CA 1.196 59.367 58.200 -0.047 0.000 0.981 500 S CB -0.183 62.980 63.200 -0.060 0.000 0.818 500 S HN 0.469 nan 8.310 nan 0.000 0.472 501 K N 0.855 121.235 120.400 -0.032 0.000 2.283 501 K HA 0.012 4.332 4.320 0.001 0.000 0.202 501 K C 1.752 178.340 176.600 -0.020 0.000 1.048 501 K CA 0.821 57.093 56.287 -0.025 0.000 0.948 501 K CB 0.024 32.510 32.500 -0.023 0.000 0.742 501 K HN 0.246 nan 8.250 nan 0.000 0.458 502 K N 0.341 120.729 120.400 -0.020 0.000 2.365 502 K HA 0.077 4.398 4.320 0.001 0.000 0.197 502 K C 0.432 177.023 176.600 -0.014 0.000 1.042 502 K CA 0.209 56.487 56.287 -0.016 0.000 0.987 502 K CB 0.155 32.647 32.500 -0.015 0.000 0.779 502 K HN 0.049 nan 8.250 nan 0.000 0.484 503 L N 1.201 122.415 121.223 -0.017 0.000 2.436 503 L HA 0.028 4.369 4.340 0.001 0.000 0.265 503 L C 1.828 178.691 176.870 -0.011 0.000 1.168 503 L CA -0.310 54.522 54.840 -0.014 0.000 0.815 503 L CB 1.219 43.268 42.059 -0.017 0.000 1.109 503 L HN 0.139 nan 8.230 nan 0.000 0.462 504 S N -0.081 115.614 115.700 -0.008 0.000 2.382 504 S HA -0.089 4.381 4.470 0.001 0.000 0.228 504 S C 0.757 175.354 174.600 -0.005 0.000 1.027 504 S CA 0.757 58.954 58.200 -0.006 0.000 0.991 504 S CB -0.010 63.188 63.200 -0.004 0.000 0.823 504 S HN 0.600 nan 8.310 nan 0.000 0.469 505 E N 1.939 122.136 120.200 -0.005 0.000 2.183 505 E HA 0.417 4.768 4.350 0.001 0.000 0.250 505 E C -2.378 174.216 176.600 -0.010 0.000 0.901 505 E CA -2.885 53.513 56.400 -0.004 0.000 0.741 505 E CB 1.625 31.326 29.700 0.002 0.000 1.182 505 E HN 0.137 nan 8.360 nan 0.000 0.425 506 P HA -0.079 nan 4.420 nan 0.000 0.231 506 P C 0.816 178.098 177.300 -0.030 0.000 1.158 506 P CA 0.742 63.828 63.100 -0.023 0.000 0.763 506 P CB 0.311 31.997 31.700 -0.022 0.000 0.805 507 S N -2.807 112.879 115.700 -0.023 0.000 2.634 507 S HA 0.129 4.600 4.470 0.001 0.000 0.221 507 S C 1.633 176.218 174.600 -0.024 0.000 0.952 507 S CA -0.075 58.106 58.200 -0.032 0.000 0.930 507 S CB -0.866 62.322 63.200 -0.020 0.000 0.780 507 S HN -0.068 nan 8.310 nan 0.000 0.498 508 S N 2.406 118.097 115.700 -0.015 0.000 2.370 508 S HA 0.043 4.514 4.470 0.001 0.000 0.226 508 S C 1.481 176.078 174.600 -0.005 0.000 1.033 508 S CA 1.295 59.495 58.200 0.001 0.000 1.011 508 S CB -0.482 62.715 63.200 -0.005 0.000 0.852 508 S HN 0.590 nan 8.310 nan 0.000 0.457 509 L N 1.335 122.533 121.223 -0.041 0.000 2.610 509 L HA 0.052 4.393 4.340 0.001 0.000 0.232 509 L C 2.385 179.204 176.870 -0.085 0.000 1.149 509 L CA 0.206 55.010 54.840 -0.060 0.000 0.872 509 L CB -0.482 41.520 42.059 -0.094 0.000 0.992 509 L HN 0.359 nan 8.230 nan 0.000 0.447 510 Q N 0.499 120.223 119.800 -0.127 0.000 2.062 510 Q HA -0.245 4.096 4.340 0.001 0.000 0.209 510 Q C 1.333 177.118 176.000 -0.358 0.000 0.996 510 Q CA 2.242 57.867 55.803 -0.298 0.000 0.859 510 Q CB -0.075 28.380 28.738 -0.473 0.000 0.920 510 Q HN 0.564 nan 8.270 nan 0.000 0.415 511 Y N -0.964 119.331 120.300 -0.009 0.000 2.458 511 Y HA 0.174 4.725 4.550 0.001 0.000 0.256 511 Y C -0.195 175.684 175.900 -0.036 0.000 1.159 511 Y CA -0.828 57.265 58.100 -0.013 0.000 1.261 511 Y CB 0.703 39.157 38.460 -0.011 0.000 1.119 511 Y HN 0.120 nan 8.280 nan 0.000 0.524 512 L N 4.855 126.108 121.223 0.049 0.000 2.385 512 L HA 0.287 4.627 4.340 0.001 0.000 0.281 512 L C -2.356 174.472 176.870 -0.070 0.000 1.106 512 L CA -2.221 52.600 54.840 -0.032 0.000 0.856 512 L CB 0.053 42.084 42.059 -0.046 0.000 1.186 512 L HN -0.138 nan 8.230 nan 0.000 0.453 513 P HA 0.161 nan 4.420 nan 0.000 0.276 513 P C -0.979 176.058 177.300 -0.438 0.000 1.244 513 P CA 0.139 63.057 63.100 -0.304 0.000 0.801 513 P CB 0.769 32.199 31.700 -0.451 0.000 1.006 514 Y N -1.662 118.479 120.300 -0.265 0.000 2.580 514 Y HA 0.379 4.930 4.550 0.001 0.000 0.290 514 Y C 0.519 176.673 175.900 0.424 0.000 0.981 514 Y CA -0.627 57.529 58.100 0.093 0.000 1.120 514 Y CB -0.005 38.511 38.460 0.094 0.000 1.415 514 Y HN -0.004 nan 8.280 nan 0.000 0.588 515 R N 2.906 123.146 120.500 -0.434 0.000 2.594 515 R HA 0.111 4.452 4.340 0.001 0.000 0.272 515 R C -0.589 175.758 176.300 0.078 0.000 1.074 515 R CA 0.527 56.440 56.100 -0.312 0.000 1.105 515 R CB 0.057 30.114 30.300 -0.405 0.000 1.008 515 R HN 0.320 nan 8.270 nan 0.000 0.472 516 D N 0.667 121.115 120.400 0.080 0.000 2.699 516 D HA -0.251 4.390 4.640 0.001 0.000 0.239 516 D C -1.070 175.260 176.300 0.050 0.000 1.136 516 D CA 1.234 55.270 54.000 0.060 0.000 0.668 516 D CB -1.206 39.610 40.800 0.027 0.000 1.060 516 D HN 0.438 nan 8.370 nan 0.000 0.429 517 Y N 0.582 120.806 120.300 -0.127 0.000 2.446 517 Y HA 0.402 4.952 4.550 0.001 0.000 0.345 517 Y C -0.019 175.628 175.900 -0.421 0.000 0.984 517 Y CA -1.403 56.459 58.100 -0.398 0.000 1.058 517 Y CB 1.202 39.275 38.460 -0.645 0.000 1.220 517 Y HN -0.176 nan 8.280 nan 0.000 0.455 518 N N 4.621 122.671 118.700 -1.083 0.000 2.549 518 N HA 0.002 4.743 4.740 0.001 0.000 0.267 518 N C -0.266 174.891 175.510 -0.588 0.000 1.182 518 N CA 0.553 53.215 53.050 -0.645 0.000 1.019 518 N CB -0.368 37.805 38.487 -0.525 0.000 1.380 518 N HN 0.760 nan 8.380 nan 0.000 0.505 519 Y N 0.334 120.607 120.300 -0.046 0.000 2.516 519 Y HA -0.116 4.435 4.550 0.001 0.000 0.291 519 Y C 2.417 178.306 175.900 -0.018 0.000 1.131 519 Y CA 0.635 58.769 58.100 0.058 0.000 1.281 519 Y CB 0.198 38.732 38.460 0.124 0.000 1.013 519 Y HN 0.542 nan 8.280 nan 0.000 0.554 520 S N -0.014 115.832 115.700 0.243 0.000 2.419 520 S HA -0.158 4.312 4.470 0.001 0.000 0.233 520 S C 1.587 176.247 174.600 0.100 0.000 1.016 520 S CA 1.000 59.362 58.200 0.271 0.000 0.974 520 S CB -0.736 62.604 63.200 0.232 0.000 0.786 520 S HN 0.523 nan 8.310 nan 0.000 0.492 521 L N 0.706 121.938 121.223 0.015 0.000 2.554 521 L HA 0.210 4.551 4.340 0.001 0.000 0.226 521 L C 1.661 178.542 176.870 0.018 0.000 1.137 521 L CA 0.140 54.977 54.840 -0.005 0.000 0.863 521 L CB -0.021 42.002 42.059 -0.060 0.000 0.985 521 L HN 0.258 nan 8.230 nan 0.000 0.451 522 V N -1.533 118.406 119.914 0.041 0.000 3.570 522 V HA 0.131 4.252 4.120 0.001 0.000 0.257 522 V C 0.701 176.819 176.094 0.040 0.000 1.272 522 V CA 0.093 62.441 62.300 0.079 0.000 1.079 522 V CB 0.512 32.452 31.823 0.195 0.000 0.829 522 V HN 0.203 nan 8.190 nan 0.000 0.454 523 M N 1.229 120.808 119.600 -0.035 0.000 2.143 523 M HA 0.538 5.019 4.480 0.001 0.000 0.348 523 M C 1.002 177.291 176.300 -0.017 0.000 1.375 523 M CA 0.892 56.131 55.300 -0.101 0.000 1.124 523 M CB 0.340 32.690 32.600 -0.416 0.000 1.669 523 M HN 0.293 nan 8.290 nan 0.000 0.469 524 G N 3.012 111.814 108.800 0.004 0.000 2.198 524 G HA2 -0.102 3.859 3.960 0.001 0.000 0.257 524 G HA3 -0.102 3.859 3.960 0.001 0.000 0.257 524 G C 0.296 175.211 174.900 0.024 0.000 1.042 524 G CA 0.437 45.550 45.100 0.021 0.000 0.791 524 G HN 1.122 nan 8.290 nan 0.000 0.502 525 A N -2.985 119.850 122.820 0.025 0.000 1.660 525 A HA 0.487 4.808 4.320 0.001 0.000 0.204 525 A C 1.622 179.223 177.584 0.029 0.000 1.880 525 A CA 1.651 53.703 52.037 0.026 0.000 1.437 525 A CB -0.119 18.897 19.000 0.027 0.000 1.444 525 A HN 0.960 nan 8.150 nan 0.000 0.360 526 C N -1.422 117.901 119.300 0.039 0.000 3.480 526 C HA 0.591 5.052 4.460 0.001 0.000 0.480 526 C C 0.450 175.473 174.990 0.054 0.000 1.410 526 C CA 0.062 59.108 59.018 0.047 0.000 2.172 526 C CB -0.075 27.701 27.740 0.059 0.000 3.162 526 C HN 0.674 nan 8.230 nan 0.000 0.635 527 C N 1.298 120.633 119.300 0.059 0.000 3.171 527 C HA 0.643 5.104 4.460 0.001 0.000 0.336 527 C C -1.925 173.093 174.990 0.047 0.000 1.198 527 C CA -0.211 58.843 59.018 0.060 0.000 1.319 527 C CB 1.168 28.960 27.740 0.087 0.000 1.682 527 C HN 0.554 nan 8.230 nan 0.000 0.497 528 E N 1.777 121.997 120.200 0.034 0.000 2.392 528 E HA 0.544 4.894 4.350 0.001 0.000 0.269 528 E C -0.343 176.266 176.600 0.015 0.000 0.924 528 E CA -0.559 55.853 56.400 0.020 0.000 0.784 528 E CB 0.587 30.297 29.700 0.016 0.000 1.292 528 E HN 0.573 nan 8.360 nan 0.000 0.447 529 N N -0.591 118.112 118.700 0.005 0.000 2.727 529 N HA -0.142 4.599 4.740 0.001 0.000 0.249 529 N C -0.967 174.537 175.510 -0.010 0.000 1.048 529 N CA 0.470 53.519 53.050 -0.003 0.000 0.714 529 N CB -1.392 37.097 38.487 0.002 0.000 0.959 529 N HN 0.220 nan 8.380 nan 0.000 0.544 530 V N 1.548 121.453 119.914 -0.015 0.000 2.508 530 V HA 0.103 4.224 4.120 0.001 0.000 0.281 530 V C 1.907 177.974 176.094 -0.045 0.000 1.041 530 V CA 0.008 62.309 62.300 0.001 0.000 1.016 530 V CB 0.902 32.749 31.823 0.041 0.000 0.984 530 V HN 0.366 nan 8.190 nan 0.000 0.478 531 I N 1.787 122.346 120.570 -0.020 0.000 4.082 531 I HA 0.749 4.920 4.170 0.001 0.000 0.337 531 I C 0.723 176.825 176.117 -0.025 0.000 1.352 531 I CA 0.383 61.644 61.300 -0.066 0.000 1.097 531 I CB 0.386 38.343 38.000 -0.072 0.000 1.048 531 I HN 0.696 nan 8.210 nan 0.000 0.393 532 G N 1.297 110.158 108.800 0.102 0.000 2.398 532 G HA2 0.252 4.213 3.960 0.001 0.000 0.251 532 G HA3 0.252 4.213 3.960 0.001 0.000 0.251 532 G C -1.914 173.089 174.900 0.171 0.000 1.277 532 G CA -0.199 45.002 45.100 0.168 0.000 0.927 532 G HN 0.404 nan 8.290 nan 0.000 0.477 533 Y N -2.408 117.892 120.300 -0.000 0.000 2.597 533 Y HA 0.863 5.414 4.550 0.001 0.000 0.340 533 Y C -0.681 175.172 175.900 -0.079 0.000 1.097 533 Y CA -1.878 56.130 58.100 -0.153 0.000 1.037 533 Y CB 1.961 40.127 38.460 -0.490 0.000 1.305 533 Y HN 0.746 nan 8.280 nan 0.000 0.463 534 M N 4.090 123.763 119.600 0.122 0.000 2.072 534 M HA 0.594 5.075 4.480 0.001 0.000 0.331 534 M C -2.977 173.404 176.300 0.135 0.000 1.004 534 M CA -2.838 52.509 55.300 0.078 0.000 0.952 534 M CB 0.885 33.511 32.600 0.043 0.000 1.511 534 M HN 0.487 nan 8.290 nan 0.000 0.422 535 P HA 0.262 nan 4.420 nan 0.000 0.276 535 P C -1.186 176.156 177.300 0.070 0.000 1.253 535 P CA -0.118 63.059 63.100 0.129 0.000 0.766 535 P CB 0.128 31.912 31.700 0.140 0.000 0.845 536 I N 5.357 125.960 120.570 0.055 0.000 2.330 536 I HA 0.274 4.444 4.170 0.001 0.000 0.289 536 I C -2.066 174.072 176.117 0.035 0.000 1.001 536 I CA -3.233 58.090 61.300 0.039 0.000 1.193 536 I CB 0.617 38.638 38.000 0.035 0.000 1.345 536 I HN 0.145 nan 8.210 nan 0.000 0.461 537 P HA 0.049 nan 4.420 nan 0.000 0.264 537 P C -0.419 176.895 177.300 0.024 0.000 1.183 537 P CA 0.088 63.204 63.100 0.026 0.000 0.763 537 P CB 0.580 32.293 31.700 0.021 0.000 0.807 538 V N 3.728 123.656 119.914 0.023 0.000 2.357 538 V HA 0.593 4.714 4.120 0.001 0.000 0.284 538 V C 0.821 176.926 176.094 0.020 0.000 1.018 538 V CA -0.197 62.116 62.300 0.021 0.000 0.841 538 V CB 1.372 33.208 31.823 0.020 0.000 0.991 538 V HN 0.763 nan 8.190 nan 0.000 0.437 539 G N 2.783 111.595 108.800 0.019 0.000 2.509 539 G HA2 0.664 4.624 3.960 0.001 0.000 0.328 539 G HA3 0.664 4.624 3.960 0.001 0.000 0.328 539 G C -1.290 173.623 174.900 0.021 0.000 1.194 539 G CA -0.673 44.438 45.100 0.019 0.000 0.967 539 G HN 0.651 nan 8.290 nan 0.000 0.488 540 V N -0.272 119.656 119.914 0.022 0.000 2.638 540 V HA 0.780 4.901 4.120 0.001 0.000 0.306 540 V C -0.340 175.770 176.094 0.027 0.000 1.052 540 V CA -0.486 61.830 62.300 0.026 0.000 0.885 540 V CB 1.378 33.218 31.823 0.027 0.000 0.999 540 V HN 1.300 nan 8.190 nan 0.000 0.424 541 A N 4.626 127.465 122.820 0.031 0.000 2.318 541 A HA 1.047 5.368 4.320 0.001 0.000 0.324 541 A C 0.211 177.821 177.584 0.043 0.000 1.170 541 A CA 0.228 52.284 52.037 0.033 0.000 0.810 541 A CB 1.291 20.308 19.000 0.029 0.000 1.198 541 A HN 2.199 nan 8.150 nan 0.000 0.484 542 G N 1.576 110.400 108.800 0.040 0.000 2.341 542 G HA2 0.486 4.447 3.960 0.001 0.000 0.293 542 G HA3 0.486 4.447 3.960 0.001 0.000 0.293 542 G C -3.482 171.437 174.900 0.032 0.000 1.298 542 G CA -0.521 44.607 45.100 0.047 0.000 0.868 542 G HN 0.654 nan 8.290 nan 0.000 0.540 543 P HA 0.483 nan 4.420 nan 0.000 0.275 543 P C -0.732 176.601 177.300 0.056 0.000 1.228 543 P CA -0.392 62.731 63.100 0.038 0.000 0.786 543 P CB 1.681 33.386 31.700 0.008 0.000 0.927 544 L N 3.991 125.274 121.223 0.100 0.000 2.265 544 L HA 0.328 4.669 4.340 0.001 0.000 0.289 544 L C -0.765 176.190 176.870 0.142 0.000 1.033 544 L CA -0.445 54.467 54.840 0.121 0.000 0.814 544 L CB 0.147 42.297 42.059 0.152 0.000 1.203 544 L HN 0.343 nan 8.230 nan 0.000 0.423 545 C N 6.402 125.754 119.300 0.086 0.000 2.227 545 C HA 0.552 5.013 4.460 0.001 0.000 0.333 545 C C -0.084 174.964 174.990 0.096 0.000 1.145 545 C CA -0.672 58.383 59.018 0.063 0.000 1.643 545 C CB -0.927 26.830 27.740 0.029 0.000 2.185 545 C HN 0.681 nan 8.230 nan 0.000 0.497 546 L N 4.409 125.729 121.223 0.162 0.000 2.376 546 L HA 0.448 4.789 4.340 0.001 0.000 0.275 546 L C -0.089 176.886 176.870 0.176 0.000 0.987 546 L CA 0.507 55.458 54.840 0.185 0.000 0.828 546 L CB 0.746 42.962 42.059 0.262 0.000 1.249 546 L HN 0.700 nan 8.230 nan 0.000 0.409 547 D N 4.577 125.040 120.400 0.105 0.000 2.697 547 D HA -0.254 4.387 4.640 0.001 0.000 0.235 547 D C 0.287 176.621 176.300 0.056 0.000 1.167 547 D CA 1.162 55.211 54.000 0.080 0.000 0.656 547 D CB -0.407 40.449 40.800 0.093 0.000 1.025 547 D HN 0.974 nan 8.370 nan 0.000 0.419 548 E N -2.608 117.611 120.200 0.030 0.000 3.673 548 E HA -0.269 4.081 4.350 0.001 0.000 0.309 548 E C 0.150 176.722 176.600 -0.047 0.000 0.819 548 E CA 1.327 57.725 56.400 -0.003 0.000 1.111 548 E CB -0.686 29.014 29.700 -0.000 0.000 1.561 548 E HN 0.542 nan 8.360 nan 0.000 0.450 549 K N 0.388 120.742 120.400 -0.076 0.000 2.280 549 K HA 0.604 4.924 4.320 0.001 0.000 0.234 549 K C -0.357 176.038 176.600 -0.341 0.000 1.028 549 K CA -0.658 55.471 56.287 -0.263 0.000 0.882 549 K CB 1.482 33.727 32.500 -0.426 0.000 1.194 549 K HN -0.053 nan 8.250 nan 0.000 0.458 550 E N 0.861 120.750 120.200 -0.519 0.000 2.234 550 E HA 0.354 4.704 4.350 0.001 0.000 0.266 550 E C -1.511 174.771 176.600 -0.531 0.000 0.877 550 E CA -0.503 55.681 56.400 -0.360 0.000 0.758 550 E CB 1.333 30.928 29.700 -0.174 0.000 1.170 550 E HN 0.260 nan 8.360 nan 0.000 0.415 551 F N 1.657 121.608 119.950 0.002 0.000 2.507 551 F HA 0.288 4.816 4.527 0.002 0.000 0.325 551 F C 0.144 175.946 175.800 0.003 0.000 1.116 551 F CA -1.008 56.993 58.000 0.002 0.000 0.930 551 F CB 1.773 40.775 39.000 0.002 0.000 1.146 551 F HN 0.116 nan 8.300 nan 0.000 0.447 552 Q N 3.484 123.394 119.800 0.184 0.000 2.368 552 Q HA 0.385 4.726 4.340 0.001 0.000 0.256 552 Q C -0.815 175.252 176.000 0.110 0.000 0.980 552 Q CA -0.533 55.337 55.803 0.110 0.000 0.887 552 Q CB 2.167 30.944 28.738 0.065 0.000 1.221 552 Q HN 0.387 nan 8.270 nan 0.000 0.458 553 V N 5.584 125.549 119.914 0.086 0.000 2.364 553 V HA 0.302 4.423 4.120 0.001 0.000 0.272 553 V C -2.001 174.115 176.094 0.038 0.000 1.036 553 V CA -1.736 60.598 62.300 0.056 0.000 0.880 553 V CB 1.161 33.007 31.823 0.037 0.000 0.991 553 V HN 0.553 nan 8.190 nan 0.000 0.460 554 P HA 0.409 nan 4.420 nan 0.000 0.280 554 P C -0.962 176.352 177.300 0.023 0.000 1.244 554 P CA -0.378 62.738 63.100 0.026 0.000 0.784 554 P CB 0.959 32.673 31.700 0.024 0.000 0.913 555 M N 2.360 121.973 119.600 0.022 0.000 2.124 555 M HA 0.441 4.922 4.480 0.001 0.000 0.280 555 M C -0.412 175.901 176.300 0.021 0.000 0.954 555 M CA -0.653 54.659 55.300 0.020 0.000 0.958 555 M CB 2.359 34.966 32.600 0.012 0.000 1.611 555 M HN 0.266 nan 8.290 nan 0.000 0.449 556 A N 2.593 125.429 122.820 0.026 0.000 2.343 556 A HA 0.692 5.013 4.320 0.001 0.000 0.305 556 A C -0.097 177.500 177.584 0.022 0.000 1.308 556 A CA -0.106 51.947 52.037 0.026 0.000 0.949 556 A CB 0.328 19.347 19.000 0.031 0.000 1.148 556 A HN 0.738 nan 8.150 nan 0.000 0.545 557 T N 0.312 114.878 114.554 0.019 0.000 2.853 557 T HA 0.549 4.900 4.350 0.001 0.000 0.311 557 T C 0.331 175.040 174.700 0.015 0.000 1.307 557 T CA 0.342 62.451 62.100 0.015 0.000 1.019 557 T CB 1.456 70.331 68.868 0.011 0.000 1.264 557 T HN 0.975 nan 8.240 nan 0.000 0.497 558 T N -0.420 114.142 114.554 0.013 0.000 3.252 558 T HA 0.385 4.736 4.350 0.001 0.000 0.286 558 T C 0.109 174.815 174.700 0.010 0.000 1.013 558 T CA -0.394 61.713 62.100 0.011 0.000 0.914 558 T CB -0.101 68.773 68.868 0.010 0.000 1.131 558 T HN 0.600 nan 8.240 nan 0.000 0.529 559 E N 1.445 121.652 120.200 0.013 0.000 2.115 559 E HA 0.524 4.874 4.350 0.001 0.000 0.282 559 E C 0.642 177.252 176.600 0.017 0.000 0.987 559 E CA -0.837 55.572 56.400 0.015 0.000 0.797 559 E CB 0.469 30.182 29.700 0.021 0.000 1.086 559 E HN 0.440 nan 8.360 nan 0.000 0.397 560 G N 3.009 111.816 108.800 0.012 0.000 2.225 560 G HA2 0.023 3.983 3.960 0.001 0.000 0.245 560 G HA3 0.023 3.983 3.960 0.001 0.000 0.245 560 G C 0.523 175.432 174.900 0.015 0.000 1.249 560 G CA 0.083 45.190 45.100 0.011 0.000 0.919 560 G HN 0.951 nan 8.290 nan 0.000 0.486 561 C N 1.349 120.659 119.300 0.017 0.000 5.102 561 C HA -0.178 4.283 4.460 0.001 0.000 0.236 561 C C 2.186 177.195 174.990 0.032 0.000 1.316 561 C CA 0.397 59.426 59.018 0.019 0.000 1.394 561 C CB -2.182 25.566 27.740 0.013 0.000 1.902 561 C HN 0.846 nan 8.230 nan 0.000 0.644 562 L N 1.362 122.609 121.223 0.039 0.000 2.072 562 L HA 0.020 4.361 4.340 0.001 0.000 0.205 562 L C 2.261 179.160 176.870 0.049 0.000 1.079 562 L CA 2.525 57.401 54.840 0.060 0.000 0.752 562 L CB -0.483 41.606 42.059 0.051 0.000 0.906 562 L HN 0.319 nan 8.230 nan 0.000 0.436 563 V N 0.176 120.109 119.914 0.032 0.000 2.307 563 V HA -0.240 3.880 4.120 0.001 0.000 0.245 563 V C 2.822 178.934 176.094 0.029 0.000 1.045 563 V CA 1.513 63.830 62.300 0.027 0.000 1.024 563 V CB -1.565 30.271 31.823 0.022 0.000 0.651 563 V HN 0.574 nan 8.190 nan 0.000 0.449 564 A N -0.181 122.655 122.820 0.027 0.000 1.883 564 A HA -0.275 4.045 4.320 0.001 0.000 0.217 564 A C 2.594 180.194 177.584 0.027 0.000 1.186 564 A CA 2.502 54.553 52.037 0.023 0.000 0.624 564 A CB -0.952 18.059 19.000 0.018 0.000 0.822 564 A HN 0.501 nan 8.150 nan 0.000 0.444 565 S N -1.225 114.496 115.700 0.035 0.000 2.368 565 S HA -0.144 4.327 4.470 0.001 0.000 0.225 565 S C 2.046 176.679 174.600 0.054 0.000 1.030 565 S CA 2.225 60.449 58.200 0.041 0.000 0.999 565 S CB -0.660 62.570 63.200 0.049 0.000 0.844 565 S HN 0.607 nan 8.310 nan 0.000 0.459 566 T N 1.862 116.453 114.554 0.061 0.000 2.746 566 T HA -0.068 4.282 4.350 0.001 0.000 0.267 566 T C 1.747 176.470 174.700 0.038 0.000 1.039 566 T CA 1.573 63.705 62.100 0.054 0.000 1.142 566 T CB -0.700 68.189 68.868 0.035 0.000 0.866 566 T HN 0.589 nan 8.240 nan 0.000 0.444 567 N N 0.990 119.709 118.700 0.033 0.000 2.223 567 N HA -0.089 4.652 4.740 0.001 0.000 0.185 567 N C 1.900 177.425 175.510 0.026 0.000 1.016 567 N CA 1.051 54.118 53.050 0.028 0.000 0.863 567 N CB -0.130 38.372 38.487 0.025 0.000 0.983 567 N HN 0.299 nan 8.380 nan 0.000 0.429 568 R N -0.585 119.930 120.500 0.025 0.000 2.075 568 R HA -0.036 4.305 4.340 0.001 0.000 0.232 568 R C 2.116 178.429 176.300 0.021 0.000 1.126 568 R CA 1.541 57.653 56.100 0.020 0.000 0.963 568 R CB -0.689 29.621 30.300 0.017 0.000 0.858 568 R HN 0.329 nan 8.270 nan 0.000 0.435 569 G N 0.100 108.916 108.800 0.027 0.000 2.422 569 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 569 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 569 G C 1.515 176.429 174.900 0.023 0.000 1.146 569 G CA 0.927 46.042 45.100 0.026 0.000 0.769 569 G HN 0.425 nan 8.290 nan 0.000 0.547 570 C N -0.118 119.198 119.300 0.027 0.000 2.429 570 C HA 0.044 4.504 4.460 0.001 0.000 0.277 570 C C 2.852 177.856 174.990 0.025 0.000 1.262 570 C CA 0.966 60.002 59.018 0.030 0.000 1.733 570 C CB -0.615 27.147 27.740 0.036 0.000 2.010 570 C HN 0.486 nan 8.230 nan 0.000 0.483 571 R N 1.871 122.383 120.500 0.021 0.000 2.073 571 R HA -0.032 4.309 4.340 0.001 0.000 0.234 571 R C 2.134 178.442 176.300 0.014 0.000 1.134 571 R CA 2.202 58.312 56.100 0.016 0.000 0.952 571 R CB -0.937 29.371 30.300 0.014 0.000 0.850 571 R HN 0.423 nan 8.270 nan 0.000 0.433 572 A N 0.251 123.079 122.820 0.013 0.000 1.933 572 A HA -0.078 4.243 4.320 0.001 0.000 0.218 572 A C 2.330 179.920 177.584 0.010 0.000 1.175 572 A CA 1.596 53.640 52.037 0.011 0.000 0.628 572 A CB -0.575 18.430 19.000 0.009 0.000 0.814 572 A HN 0.374 nan 8.150 nan 0.000 0.444 573 I N -0.366 120.211 120.570 0.012 0.000 2.226 573 I HA -0.191 3.979 4.170 0.001 0.000 0.245 573 I C 2.672 178.798 176.117 0.015 0.000 1.100 573 I CA 1.198 62.505 61.300 0.011 0.000 1.374 573 I CB -0.484 37.525 38.000 0.015 0.000 1.057 573 I HN 0.388 nan 8.210 nan 0.000 0.413 574 G N 0.693 109.503 108.800 0.017 0.000 2.408 574 G HA2 -0.144 3.816 3.960 0.001 0.000 0.217 574 G HA3 -0.144 3.816 3.960 0.001 0.000 0.217 574 G C 1.612 176.519 174.900 0.012 0.000 1.150 574 G CA 0.332 45.441 45.100 0.015 0.000 0.776 574 G HN 0.293 nan 8.290 nan 0.000 0.542 575 L N 0.891 122.121 121.223 0.011 0.000 2.552 575 L HA 0.176 4.517 4.340 0.001 0.000 0.227 575 L C 2.546 179.423 176.870 0.012 0.000 1.146 575 L CA 0.392 55.238 54.840 0.010 0.000 0.858 575 L CB 0.155 42.219 42.059 0.009 0.000 0.969 575 L HN 0.298 nan 8.230 nan 0.000 0.451 576 G N -1.288 107.520 108.800 0.013 0.000 3.088 576 G HA2 0.321 4.282 3.960 0.001 0.000 0.217 576 G HA3 0.321 4.282 3.960 0.001 0.000 0.217 576 G C 1.152 176.063 174.900 0.019 0.000 1.159 576 G CA 0.467 45.577 45.100 0.016 0.000 0.760 576 G HN 0.401 nan 8.290 nan 0.000 0.550 577 G N -1.290 107.520 108.800 0.017 0.000 2.144 577 G HA2 0.346 4.307 3.960 0.001 0.000 0.218 577 G HA3 0.346 4.307 3.960 0.001 0.000 0.218 577 G C 0.806 175.718 174.900 0.020 0.000 0.988 577 G CA 0.407 45.517 45.100 0.017 0.000 0.659 577 G HN 2.053 nan 8.290 nan 0.000 0.522 578 G N -1.243 107.569 108.800 0.020 0.000 2.733 578 G HA2 0.475 4.436 3.960 0.001 0.000 0.686 578 G HA3 0.475 4.436 3.960 0.001 0.000 0.686 578 G C 0.162 175.078 174.900 0.027 0.000 1.373 578 G CA 0.749 45.865 45.100 0.026 0.000 0.838 578 G HN 2.206 nan 8.290 nan 0.000 0.588 579 A N 0.407 123.246 122.820 0.032 0.000 2.294 579 A HA 0.959 5.280 4.320 0.001 0.000 0.330 579 A C 0.502 178.108 177.584 0.037 0.000 1.133 579 A CA 0.485 52.536 52.037 0.024 0.000 0.836 579 A CB 1.414 20.424 19.000 0.017 0.000 1.190 579 A HN 1.977 nan 8.150 nan 0.000 0.492 580 S N 0.217 115.936 115.700 0.032 0.000 2.526 580 S HA 0.764 5.235 4.470 0.001 0.000 0.293 580 S C -0.325 174.293 174.600 0.030 0.000 1.092 580 S CA -0.396 57.828 58.200 0.038 0.000 0.980 580 S CB 1.612 64.838 63.200 0.043 0.000 1.048 580 S HN 1.305 nan 8.310 nan 0.000 0.483 581 S N 2.100 117.818 115.700 0.029 0.000 2.595 581 S HA 0.835 5.306 4.470 0.001 0.000 0.281 581 S C -1.387 173.223 174.600 0.017 0.000 1.117 581 S CA -1.132 57.078 58.200 0.018 0.000 0.873 581 S CB 1.581 64.785 63.200 0.007 0.000 1.108 581 S HN 0.531 nan 8.310 nan 0.000 0.477 582 R N 0.577 121.083 120.500 0.009 0.000 2.673 582 R HA 0.541 4.882 4.340 0.001 0.000 0.281 582 R C -1.559 174.739 176.300 -0.004 0.000 0.991 582 R CA -0.755 55.349 56.100 0.005 0.000 0.896 582 R CB 1.886 32.190 30.300 0.006 0.000 1.201 582 R HN 0.610 nan 8.270 nan 0.000 0.457 583 V N 4.780 124.691 119.914 -0.005 0.000 2.432 583 V HA 0.170 4.291 4.120 0.001 0.000 0.271 583 V C 1.550 177.637 176.094 -0.012 0.000 1.046 583 V CA -0.034 62.260 62.300 -0.011 0.000 0.945 583 V CB 1.016 32.833 31.823 -0.010 0.000 0.992 583 V HN 0.613 nan 8.190 nan 0.000 0.471 584 L N 4.125 125.336 121.223 -0.020 0.000 2.354 584 L HA 0.502 4.843 4.340 0.001 0.000 0.212 584 L C 0.888 177.743 176.870 -0.025 0.000 1.091 584 L CA 0.802 55.626 54.840 -0.025 0.000 0.828 584 L CB -0.039 41.996 42.059 -0.039 0.000 0.973 584 L HN 0.740 nan 8.230 nan 0.000 0.461 585 A N -0.934 121.873 122.820 -0.022 0.000 2.601 585 A HA 0.612 4.932 4.320 0.001 0.000 0.291 585 A C -1.948 175.631 177.584 -0.009 0.000 1.075 585 A CA -0.435 51.592 52.037 -0.017 0.000 0.671 585 A CB 1.785 20.770 19.000 -0.026 0.000 1.277 585 A HN -0.056 nan 8.150 nan 0.000 0.417 586 D N -0.518 119.883 120.400 0.001 0.000 2.764 586 D HA 0.574 5.215 4.640 0.001 0.000 0.227 586 D C -0.568 175.746 176.300 0.024 0.000 1.347 586 D CA 0.955 54.960 54.000 0.009 0.000 0.953 586 D CB 1.667 42.471 40.800 0.006 0.000 1.476 586 D HN 1.556 nan 8.370 nan 0.000 0.585 587 G N 2.469 111.288 108.800 0.031 0.000 1.895 587 G HA2 0.349 4.309 3.960 0.001 0.000 0.302 587 G HA3 0.349 4.309 3.960 0.001 0.000 0.302 587 G C -0.761 174.175 174.900 0.060 0.000 1.691 587 G CA -0.901 44.231 45.100 0.053 0.000 0.929 587 G HN 0.356 nan 8.290 nan 0.000 0.629 588 M N 2.450 122.097 119.600 0.079 0.000 2.245 588 M HA 0.682 5.163 4.480 0.001 0.000 0.330 588 M C 0.822 177.194 176.300 0.119 0.000 1.098 588 M CA -0.011 55.342 55.300 0.089 0.000 1.172 588 M CB 0.703 33.358 32.600 0.092 0.000 1.467 588 M HN 0.879 nan 8.290 nan 0.000 0.454 589 T N 1.846 116.470 114.554 0.117 0.000 2.906 589 T HA 0.867 5.217 4.350 0.001 0.000 0.295 589 T C -0.946 173.858 174.700 0.174 0.000 1.075 589 T CA -1.050 61.140 62.100 0.150 0.000 1.005 589 T CB 1.732 70.660 68.868 0.101 0.000 1.136 589 T HN 0.784 nan 8.240 nan 0.000 0.498 590 R N -0.033 120.613 120.500 0.244 0.000 2.673 590 R HA 0.722 5.062 4.340 0.001 0.000 0.281 590 R C -0.362 176.138 176.300 0.333 0.000 0.991 590 R CA -0.507 55.739 56.100 0.243 0.000 0.896 590 R CB 1.788 32.217 30.300 0.214 0.000 1.201 590 R HN 1.109 nan 8.270 nan 0.000 0.457 591 G N 4.626 113.608 108.800 0.304 0.000 4.713 591 G HA2 0.309 4.270 3.960 0.001 0.000 0.318 591 G HA3 0.309 4.270 3.960 0.001 0.000 0.318 591 G C -2.518 172.598 174.900 0.360 0.000 1.435 591 G CA -1.168 44.166 45.100 0.390 0.000 0.965 591 G HN 0.489 nan 8.290 nan 0.000 0.542 592 P HA 0.097 nan 4.420 nan 0.000 0.269 592 P C -0.069 177.317 177.300 0.143 0.000 1.217 592 P CA -0.015 63.215 63.100 0.216 0.000 0.783 592 P CB 2.141 33.969 31.700 0.213 0.000 0.898 593 V N 3.370 123.295 119.914 0.018 0.000 2.417 593 V HA 0.389 4.510 4.120 0.001 0.000 0.291 593 V C -0.007 175.977 176.094 -0.183 0.000 1.024 593 V CA -0.679 61.464 62.300 -0.263 0.000 0.861 593 V CB 1.319 32.917 31.823 -0.375 0.000 0.985 593 V HN 0.443 nan 8.190 nan 0.000 0.436 594 V N 5.165 124.949 119.914 -0.216 0.000 3.096 594 V HA 0.784 4.905 4.120 0.001 0.000 0.319 594 V C -0.401 175.593 176.094 -0.167 0.000 1.103 594 V CA -0.985 61.238 62.300 -0.128 0.000 1.016 594 V CB 2.014 33.803 31.823 -0.057 0.000 1.090 594 V HN 0.913 nan 8.190 nan 0.000 0.449 595 R N 1.510 121.951 120.500 -0.099 0.000 2.574 595 R HA 0.739 5.080 4.340 0.001 0.000 0.288 595 R C -1.651 174.615 176.300 -0.056 0.000 1.004 595 R CA -0.621 55.427 56.100 -0.086 0.000 0.895 595 R CB 2.100 32.364 30.300 -0.061 0.000 1.191 595 R HN 0.685 nan 8.270 nan 0.000 0.444 596 L N 2.777 123.963 121.223 -0.063 0.000 2.304 596 L HA 0.493 4.834 4.340 0.001 0.000 0.268 596 L C -1.609 175.244 176.870 -0.028 0.000 1.010 596 L CA -1.973 52.839 54.840 -0.047 0.000 0.813 596 L CB 1.663 43.672 42.059 -0.083 0.000 1.315 596 L HN 0.371 nan 8.230 nan 0.000 0.445 597 P HA -0.075 nan 4.420 nan 0.000 0.215 597 P C -0.353 176.941 177.300 -0.010 0.000 1.153 597 P CA 1.337 64.433 63.100 -0.006 0.000 0.853 597 P CB 0.271 31.972 31.700 0.002 0.000 0.788 598 R N -2.673 117.819 120.500 -0.014 0.000 2.808 598 R HA 0.543 4.884 4.340 0.001 0.000 0.272 598 R C 0.819 177.106 176.300 -0.022 0.000 0.995 598 R CA -0.542 55.551 56.100 -0.012 0.000 0.917 598 R CB 0.598 30.895 30.300 -0.005 0.000 1.217 598 R HN -0.144 nan 8.270 nan 0.000 0.471 599 A N 0.373 123.183 122.820 -0.016 0.000 2.019 599 A HA -0.125 4.196 4.320 0.001 0.000 0.219 599 A C 1.735 179.306 177.584 -0.021 0.000 1.164 599 A CA 1.509 53.535 52.037 -0.019 0.000 0.644 599 A CB -0.593 18.402 19.000 -0.008 0.000 0.805 599 A HN 0.712 nan 8.150 nan 0.000 0.449 600 C N -0.288 119.005 119.300 -0.013 0.000 2.435 600 C HA -0.059 4.401 4.460 0.001 0.000 0.279 600 C C 2.253 177.233 174.990 -0.016 0.000 1.321 600 C CA 0.859 59.873 59.018 -0.007 0.000 1.752 600 C CB -0.952 26.790 27.740 0.004 0.000 1.959 600 C HN 0.612 nan 8.230 nan 0.000 0.500 601 D N 1.325 121.709 120.400 -0.028 0.000 2.103 601 D HA -0.092 4.549 4.640 0.001 0.000 0.199 601 D C 2.318 178.540 176.300 -0.130 0.000 0.978 601 D CA 1.902 55.870 54.000 -0.054 0.000 0.829 601 D CB -0.754 40.022 40.800 -0.039 0.000 0.981 601 D HN 0.592 nan 8.370 nan 0.000 0.464 602 S N 1.355 116.985 115.700 -0.116 0.000 2.383 602 S HA -0.155 4.315 4.470 0.001 0.000 0.229 602 S C 2.215 176.741 174.600 -0.123 0.000 1.030 602 S CA 1.421 59.536 58.200 -0.142 0.000 1.002 602 S CB -0.458 62.681 63.200 -0.101 0.000 0.829 602 S HN 0.266 nan 8.310 nan 0.000 0.467 603 A N 1.647 124.422 122.820 -0.074 0.000 1.933 603 A HA -0.087 4.234 4.320 0.001 0.000 0.218 603 A C 2.194 179.757 177.584 -0.035 0.000 1.175 603 A CA 1.565 53.575 52.037 -0.044 0.000 0.628 603 A CB -0.873 18.115 19.000 -0.019 0.000 0.814 603 A HN 0.682 nan 8.150 nan 0.000 0.444 604 E N -0.245 119.930 120.200 -0.042 0.000 2.085 604 E HA -0.156 4.195 4.350 0.001 0.000 0.194 604 E C 1.859 178.438 176.600 -0.034 0.000 0.994 604 E CA 1.599 58.005 56.400 0.009 0.000 0.801 604 E CB -0.115 29.615 29.700 0.051 0.000 0.743 604 E HN 0.358 nan 8.360 nan 0.000 0.453 605 V N 1.280 121.010 119.914 -0.307 0.000 2.427 605 V HA -0.223 3.898 4.120 0.001 0.000 0.248 605 V C 2.444 178.509 176.094 -0.048 0.000 1.051 605 V CA 1.882 63.906 62.300 -0.460 0.000 1.048 605 V CB -0.504 30.889 31.823 -0.716 0.000 0.666 605 V HN 0.252 nan 8.190 nan 0.000 0.456 606 K N 0.560 120.928 120.400 -0.052 0.000 2.026 606 K HA -0.183 4.137 4.320 0.001 0.000 0.208 606 K C 2.203 178.828 176.600 0.043 0.000 1.048 606 K CA 1.649 57.931 56.287 -0.009 0.000 0.929 606 K CB -0.316 32.160 32.500 -0.040 0.000 0.713 606 K HN 0.422 nan 8.250 nan 0.000 0.439 607 A N 0.249 123.107 122.820 0.064 0.000 1.972 607 A HA -0.186 4.135 4.320 0.001 0.000 0.219 607 A C 1.876 179.543 177.584 0.140 0.000 1.169 607 A CA 1.305 53.389 52.037 0.078 0.000 0.635 607 A CB -0.932 18.117 19.000 0.082 0.000 0.810 607 A HN 0.713 nan 8.150 nan 0.000 0.446 608 W N 0.459 121.782 121.300 0.039 0.000 2.381 608 W HA -0.084 4.577 4.660 0.001 0.000 0.301 608 W C 1.610 178.161 176.519 0.053 0.000 1.205 608 W CA 1.724 59.124 57.345 0.091 0.000 1.285 608 W CB -0.157 29.449 29.460 0.244 0.000 1.133 608 W HN 0.238 nan 8.180 nan 0.000 0.521 609 L N 0.244 121.623 121.223 0.261 0.000 2.291 609 L HA -0.090 4.251 4.340 0.001 0.000 0.214 609 L C 2.002 178.863 176.870 -0.015 0.000 1.120 609 L CA 1.178 56.088 54.840 0.117 0.000 0.799 609 L CB -0.592 41.566 42.059 0.166 0.000 0.925 609 L HN -0.010 nan 8.230 nan 0.000 0.446 610 E N -0.529 119.647 120.200 -0.039 0.000 2.299 610 E HA -0.046 4.304 4.350 0.001 0.000 0.193 610 E C 0.833 177.364 176.600 -0.115 0.000 0.998 610 E CA 0.473 56.819 56.400 -0.089 0.000 0.851 610 E CB 0.183 29.840 29.700 -0.070 0.000 0.795 610 E HN 0.463 nan 8.360 nan 0.000 0.492 611 T N -1.784 112.689 114.554 -0.135 0.000 2.900 611 T HA 0.036 4.386 4.350 0.001 0.000 0.307 611 T C 1.185 175.797 174.700 -0.148 0.000 1.065 611 T CA -0.221 61.787 62.100 -0.153 0.000 1.105 611 T CB 1.684 70.427 68.868 -0.208 0.000 0.979 611 T HN -0.197 nan 8.240 nan 0.000 0.544 612 S N 0.517 116.153 115.700 -0.106 0.000 2.382 612 S HA -0.114 4.357 4.470 0.001 0.000 0.228 612 S C 1.868 176.428 174.600 -0.067 0.000 1.027 612 S CA 1.360 59.528 58.200 -0.053 0.000 0.991 612 S CB -0.493 62.683 63.200 -0.040 0.000 0.823 612 S HN 0.813 nan 8.310 nan 0.000 0.469 613 E N 0.317 120.423 120.200 -0.157 0.000 2.076 613 E HA 0.107 4.458 4.350 0.001 0.000 0.190 613 E C 2.202 178.569 176.600 -0.388 0.000 0.979 613 E CA 0.986 57.269 56.400 -0.195 0.000 0.807 613 E CB -0.831 28.774 29.700 -0.158 0.000 0.761 613 E HN 0.486 nan 8.360 nan 0.000 0.454 614 G N 0.074 108.433 108.800 -0.736 0.000 2.408 614 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 614 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 614 G C 1.464 175.906 174.900 -0.764 0.000 1.150 614 G CA 0.538 44.736 45.100 -1.503 0.000 0.776 614 G HN 0.268 nan 8.290 nan 0.000 0.542 615 F N 2.546 122.210 119.950 -0.477 0.000 2.102 615 F HA 0.059 4.587 4.527 0.002 0.000 0.298 615 F C 2.756 178.468 175.800 -0.147 0.000 1.105 615 F CA 1.308 59.167 58.000 -0.235 0.000 1.239 615 F CB -0.409 38.486 39.000 -0.174 0.000 0.991 615 F HN 0.221 nan 8.300 nan 0.000 0.474 616 A N -0.003 122.695 122.820 -0.204 0.000 1.908 616 A HA -0.168 4.153 4.320 0.001 0.000 0.218 616 A C 2.334 179.796 177.584 -0.203 0.000 1.181 616 A CA 2.168 54.073 52.037 -0.220 0.000 0.627 616 A CB -1.460 17.497 19.000 -0.072 0.000 0.818 616 A HN 0.309 nan 8.150 nan 0.000 0.445 617 V N 0.409 120.225 119.914 -0.163 0.000 2.295 617 V HA -0.232 3.889 4.120 0.001 0.000 0.246 617 V C 2.421 178.516 176.094 0.003 0.000 1.049 617 V CA 1.754 64.032 62.300 -0.037 0.000 1.024 617 V CB -0.601 31.228 31.823 0.010 0.000 0.648 617 V HN 0.522 nan 8.190 nan 0.000 0.447 618 I N 0.148 120.700 120.570 -0.031 0.000 2.315 618 I HA -0.205 3.966 4.170 0.001 0.000 0.248 618 I C 2.405 178.516 176.117 -0.011 0.000 1.117 618 I CA 1.643 62.986 61.300 0.071 0.000 1.404 618 I CB -1.142 36.947 38.000 0.148 0.000 1.071 618 I HN 0.385 nan 8.210 nan 0.000 0.419 619 K N 1.143 121.368 120.400 -0.292 0.000 2.057 619 K HA -0.236 4.084 4.320 0.001 0.000 0.207 619 K C 2.110 178.688 176.600 -0.037 0.000 1.049 619 K CA 1.673 57.784 56.287 -0.293 0.000 0.931 619 K CB -0.066 32.068 32.500 -0.609 0.000 0.714 619 K HN 0.251 nan 8.250 nan 0.000 0.440 620 E N -0.388 119.790 120.200 -0.037 0.000 2.077 620 E HA -0.193 4.158 4.350 0.001 0.000 0.193 620 E C 1.725 178.364 176.600 0.065 0.000 0.989 620 E CA 1.071 57.484 56.400 0.021 0.000 0.800 620 E CB -0.100 29.611 29.700 0.019 0.000 0.746 620 E HN 0.458 nan 8.360 nan 0.000 0.452 621 A N 0.256 123.131 122.820 0.092 0.000 1.929 621 A HA -0.125 4.196 4.320 0.001 0.000 0.216 621 A C 1.932 179.578 177.584 0.102 0.000 1.176 621 A CA 0.882 52.978 52.037 0.098 0.000 0.628 621 A CB -0.707 18.367 19.000 0.124 0.000 0.816 621 A HN 0.474 nan 8.150 nan 0.000 0.444 622 F N 1.144 121.097 119.950 0.003 0.000 2.113 622 F HA -0.156 4.373 4.527 0.002 0.000 0.297 622 F C 1.487 177.286 175.800 -0.002 0.000 1.103 622 F CA 2.054 60.051 58.000 -0.004 0.000 1.248 622 F CB -0.007 39.018 39.000 0.041 0.000 0.999 622 F HN 0.224 nan 8.300 nan 0.000 0.475 623 D N -0.492 120.056 120.400 0.247 0.000 2.312 623 D HA -0.099 4.541 4.640 0.001 0.000 0.211 623 D C 2.412 178.726 176.300 0.023 0.000 0.964 623 D CA 1.224 55.317 54.000 0.155 0.000 0.877 623 D CB -0.420 40.469 40.800 0.148 0.000 0.924 623 D HN 0.367 nan 8.370 nan 0.000 0.515 624 S N -0.379 115.322 115.700 0.002 0.000 2.481 624 S HA -0.130 4.340 4.470 0.001 0.000 0.231 624 S C 1.946 176.509 174.600 -0.062 0.000 0.996 624 S CA 1.318 59.504 58.200 -0.023 0.000 0.942 624 S CB -0.734 62.461 63.200 -0.008 0.000 0.768 624 S HN 0.337 nan 8.310 nan 0.000 0.520 625 T N -1.437 113.051 114.554 -0.111 0.000 3.023 625 T HA 0.214 4.564 4.350 0.001 0.000 0.266 625 T C 0.760 175.385 174.700 -0.124 0.000 1.093 625 T CA 0.613 62.629 62.100 -0.140 0.000 1.129 625 T CB -0.256 68.473 68.868 -0.232 0.000 0.899 625 T HN 0.474 nan 8.240 nan 0.000 0.491 626 S N -1.116 114.514 115.700 -0.117 0.000 2.567 626 S HA 0.460 4.931 4.470 0.001 0.000 0.270 626 S C 0.389 174.912 174.600 -0.128 0.000 1.152 626 S CA -0.908 57.227 58.200 -0.109 0.000 0.835 626 S CB 1.643 64.795 63.200 -0.081 0.000 1.115 626 S HN 0.165 nan 8.310 nan 0.000 0.459 627 R N 0.756 121.107 120.500 -0.248 0.000 2.083 627 R HA -0.014 4.327 4.340 0.001 0.000 0.237 627 R C 1.052 177.140 176.300 -0.354 0.000 1.137 627 R CA 2.301 58.148 56.100 -0.423 0.000 0.951 627 R CB -0.362 29.441 30.300 -0.828 0.000 0.851 627 R HN 0.750 nan 8.270 nan 0.000 0.434 628 F N -0.211 119.756 119.950 0.028 0.000 2.765 628 F HA 0.286 4.814 4.527 0.001 0.000 0.302 628 F C 0.773 176.625 175.800 0.086 0.000 1.111 628 F CA -0.568 57.462 58.000 0.049 0.000 1.359 628 F CB 0.396 39.420 39.000 0.040 0.000 1.097 628 F HN -0.029 nan 8.300 nan 0.000 0.577 629 A N 1.992 124.937 122.820 0.207 0.000 2.457 629 A HA 0.401 4.722 4.320 0.001 0.000 0.298 629 A C 0.089 177.866 177.584 0.321 0.000 1.288 629 A CA -0.247 51.952 52.037 0.270 0.000 0.956 629 A CB -0.220 18.821 19.000 0.068 0.000 1.135 629 A HN 0.095 nan 8.150 nan 0.000 0.535 630 R N 2.766 123.456 120.500 0.318 0.000 2.422 630 R HA 0.262 4.602 4.340 0.001 0.000 0.307 630 R C -1.236 175.161 176.300 0.162 0.000 1.004 630 R CA -0.844 55.391 56.100 0.224 0.000 0.882 630 R CB 1.162 31.559 30.300 0.162 0.000 1.164 630 R HN 0.629 nan 8.270 nan 0.000 0.489 631 L N 3.385 124.649 121.223 0.068 0.000 2.418 631 L HA 0.102 4.443 4.340 0.001 0.000 0.274 631 L C 0.327 177.265 176.870 0.114 0.000 1.135 631 L CA 0.563 55.326 54.840 -0.128 0.000 0.870 631 L CB 0.487 42.337 42.059 -0.349 0.000 1.154 631 L HN 0.460 nan 8.230 nan 0.000 0.462 632 Q N 3.339 123.198 119.800 0.100 0.000 2.308 632 Q HA 0.228 4.569 4.340 0.001 0.000 0.207 632 Q C -0.257 175.823 176.000 0.132 0.000 1.035 632 Q CA -0.688 55.191 55.803 0.127 0.000 1.008 632 Q CB 0.431 29.200 28.738 0.052 0.000 1.168 632 Q HN 0.450 nan 8.270 nan 0.000 0.565 633 K N 1.192 121.552 120.400 -0.068 0.000 2.511 633 K HA -0.052 4.268 4.320 0.001 0.000 0.280 633 K C -0.815 175.723 176.600 -0.103 0.000 1.008 633 K CA 0.115 56.238 56.287 -0.273 0.000 1.050 633 K CB 0.078 32.421 32.500 -0.261 0.000 0.889 633 K HN 0.415 nan 8.250 nan 0.000 0.484 634 L N 4.239 125.400 121.223 -0.103 0.000 2.380 634 L HA 0.105 4.445 4.340 0.001 0.000 0.273 634 L C 0.375 177.222 176.870 -0.037 0.000 1.138 634 L CA -0.155 54.642 54.840 -0.072 0.000 0.832 634 L CB 0.415 42.411 42.059 -0.106 0.000 1.124 634 L HN 0.660 nan 8.230 nan 0.000 0.454 635 H N 1.827 120.868 119.070 -0.049 0.000 2.459 635 H HA 0.499 5.055 4.556 0.000 0.000 0.332 635 H C -0.510 174.866 175.328 0.079 0.000 1.094 635 H CA -0.500 55.565 56.048 0.028 0.000 1.224 635 H CB 1.280 31.088 29.762 0.078 0.000 1.449 635 H HN 0.676 nan 8.280 nan 0.000 0.484 636 T N 1.534 116.043 114.554 -0.075 0.000 2.906 636 T HA 0.634 4.984 4.350 0.001 0.000 0.295 636 T C -0.803 173.869 174.700 -0.046 0.000 1.061 636 T CA -1.034 61.057 62.100 -0.014 0.000 1.000 636 T CB 1.765 70.585 68.868 -0.079 0.000 1.103 636 T HN 0.465 nan 8.240 nan 0.000 0.486 637 S N 1.000 116.645 115.700 -0.092 0.000 2.548 637 S HA 0.598 5.068 4.470 0.001 0.000 0.276 637 S C -0.766 173.843 174.600 0.015 0.000 1.129 637 S CA -0.737 57.437 58.200 -0.044 0.000 0.931 637 S CB 0.924 64.088 63.200 -0.060 0.000 1.068 637 S HN 0.741 nan 8.310 nan 0.000 0.480 638 I N 2.471 123.057 120.570 0.028 0.000 2.385 638 I HA 0.614 4.785 4.170 0.001 0.000 0.294 638 I C 0.097 176.267 176.117 0.088 0.000 0.988 638 I CA -0.367 60.961 61.300 0.047 0.000 1.265 638 I CB 1.459 39.461 38.000 0.003 0.000 1.388 638 I HN 0.724 nan 8.210 nan 0.000 0.480 639 A N 5.158 128.059 122.820 0.135 0.000 2.763 639 A HA 0.673 4.994 4.320 0.001 0.000 0.325 639 A C 0.373 178.004 177.584 0.078 0.000 1.209 639 A CA 0.116 52.226 52.037 0.122 0.000 0.764 639 A CB 0.263 19.383 19.000 0.201 0.000 1.120 639 A HN 1.064 nan 8.150 nan 0.000 0.463 640 G N 2.876 111.700 108.800 0.040 0.000 2.561 640 G HA2 -0.378 3.583 3.960 0.001 0.000 0.289 640 G HA3 -0.378 3.583 3.960 0.001 0.000 0.289 640 G C 1.115 176.015 174.900 -0.000 0.000 1.169 640 G CA 0.809 45.920 45.100 0.019 0.000 0.980 640 G HN 1.570 nan 8.290 nan 0.000 0.550 641 R N 1.369 121.863 120.500 -0.010 0.000 2.310 641 R HA 0.147 4.488 4.340 0.001 0.000 0.202 641 R C 0.183 176.443 176.300 -0.066 0.000 0.933 641 R CA 0.511 56.591 56.100 -0.034 0.000 1.054 641 R CB -0.277 30.007 30.300 -0.028 0.000 0.985 641 R HN 0.397 nan 8.270 nan 0.000 0.489 642 N N 1.690 120.351 118.700 -0.065 0.000 2.530 642 N HA 0.165 4.906 4.740 0.001 0.000 0.273 642 N C -1.090 174.303 175.510 -0.195 0.000 1.173 642 N CA -0.304 52.643 53.050 -0.171 0.000 0.967 642 N CB 1.411 39.804 38.487 -0.157 0.000 1.109 642 N HN 0.135 nan 8.380 nan 0.000 0.453 643 L N 2.654 123.675 121.223 -0.337 0.000 2.404 643 L HA 0.415 4.755 4.340 0.001 0.000 0.272 643 L C -1.816 174.821 176.870 -0.388 0.000 0.980 643 L CA -0.652 54.040 54.840 -0.247 0.000 0.836 643 L CB 0.672 42.631 42.059 -0.167 0.000 1.238 643 L HN 0.397 nan 8.230 nan 0.000 0.408 644 Y N 5.763 125.929 120.300 -0.224 0.000 2.326 644 Y HA 0.626 5.178 4.550 0.003 0.000 0.337 644 Y C -0.039 175.695 175.900 -0.277 0.000 1.023 644 Y CA -0.358 57.549 58.100 -0.322 0.000 1.143 644 Y CB 1.259 39.276 38.460 -0.738 0.000 1.183 644 Y HN 0.411 nan 8.280 nan 0.000 0.485 645 I N 4.176 124.775 120.570 0.049 0.000 2.410 645 I HA 0.379 4.550 4.170 0.001 0.000 0.286 645 I C -0.276 175.940 176.117 0.165 0.000 1.009 645 I CA -0.788 60.526 61.300 0.023 0.000 1.111 645 I CB 1.656 39.611 38.000 -0.076 0.000 1.262 645 I HN 0.461 nan 8.210 nan 0.000 0.443 646 R N 6.259 126.881 120.500 0.204 0.000 2.287 646 R HA 0.406 4.747 4.340 0.001 0.000 0.327 646 R C -1.217 175.128 176.300 0.074 0.000 1.109 646 R CA -0.539 55.723 56.100 0.271 0.000 1.013 646 R CB 0.317 30.805 30.300 0.315 0.000 1.126 646 R HN 0.345 nan 8.270 nan 0.000 0.503 647 F N 2.410 122.446 119.950 0.143 0.000 2.467 647 F HA 0.169 4.697 4.527 0.002 0.000 0.362 647 F C 0.720 176.536 175.800 0.026 0.000 1.090 647 F CA 0.231 58.254 58.000 0.039 0.000 1.202 647 F CB 1.122 40.162 39.000 0.066 0.000 1.113 647 F HN 0.363 nan 8.300 nan 0.000 0.541 648 Q N 2.550 122.407 119.800 0.095 0.000 2.337 648 Q HA 0.618 4.959 4.340 0.001 0.000 0.270 648 Q C -1.177 174.850 176.000 0.046 0.000 1.043 648 Q CA -0.580 55.273 55.803 0.084 0.000 0.794 648 Q CB 1.986 30.758 28.738 0.056 0.000 1.281 648 Q HN 0.698 nan 8.270 nan 0.000 0.446 649 S N 2.857 118.630 115.700 0.121 0.000 2.537 649 S HA 0.517 4.988 4.470 0.001 0.000 0.271 649 S C -1.179 173.517 174.600 0.161 0.000 1.148 649 S CA -0.742 57.554 58.200 0.160 0.000 0.868 649 S CB 1.288 64.684 63.200 0.328 0.000 1.115 649 S HN 0.756 nan 8.310 nan 0.000 0.461 650 R N 1.122 121.706 120.500 0.140 0.000 2.827 650 R HA 0.371 4.712 4.340 0.001 0.000 0.269 650 R C 0.513 176.900 176.300 0.144 0.000 1.048 650 R CA 0.694 56.860 56.100 0.110 0.000 1.173 650 R CB 0.390 30.743 30.300 0.090 0.000 1.070 650 R HN 0.782 nan 8.270 nan 0.000 0.498 651 S N -0.722 115.023 115.700 0.075 0.000 3.041 651 S HA 0.272 4.743 4.470 0.001 0.000 0.250 651 S C 0.709 175.243 174.600 -0.110 0.000 0.898 651 S CA -0.264 57.986 58.200 0.082 0.000 1.100 651 S CB 0.655 63.899 63.200 0.074 0.000 1.149 651 S HN 1.074 nan 8.310 nan 0.000 0.540 652 G N 3.037 111.632 108.800 -0.341 0.000 2.591 652 G HA2 -0.329 3.632 3.960 0.001 0.000 0.298 652 G HA3 -0.329 3.632 3.960 0.001 0.000 0.298 652 G C 0.132 174.773 174.900 -0.431 0.000 1.195 652 G CA 0.810 45.383 45.100 -0.877 0.000 0.989 652 G HN 0.460 nan 8.290 nan 0.000 0.551 653 D N 1.895 122.056 120.400 -0.398 0.000 2.369 653 D HA 0.440 5.081 4.640 0.001 0.000 0.211 653 D C 1.404 177.624 176.300 -0.135 0.000 1.077 653 D CA 0.801 54.676 54.000 -0.207 0.000 0.842 653 D CB 0.297 40.995 40.800 -0.170 0.000 0.947 653 D HN 0.751 nan 8.370 nan 0.000 0.509 654 A N 1.030 123.778 122.820 -0.120 0.000 2.332 654 A HA 0.188 4.509 4.320 0.001 0.000 0.258 654 A C 1.368 178.924 177.584 -0.046 0.000 1.087 654 A CA -0.343 51.659 52.037 -0.058 0.000 0.802 654 A CB 0.873 19.865 19.000 -0.014 0.000 1.042 654 A HN -0.001 nan 8.150 nan 0.000 0.489 655 M N 1.185 120.762 119.600 -0.037 0.000 2.117 655 M HA -0.017 4.463 4.480 0.001 0.000 0.262 655 M C 1.308 177.614 176.300 0.010 0.000 1.065 655 M CA 2.557 57.842 55.300 -0.024 0.000 1.114 655 M CB -0.744 31.836 32.600 -0.033 0.000 1.361 655 M HN 1.695 nan 8.290 nan 0.000 0.408 656 G N -0.297 108.515 108.800 0.020 0.000 2.134 656 G HA2 -0.211 3.750 3.960 0.001 0.000 0.209 656 G HA3 -0.211 3.750 3.960 0.001 0.000 0.209 656 G C 0.735 175.669 174.900 0.057 0.000 0.993 656 G CA 0.533 45.661 45.100 0.046 0.000 0.669 656 G HN 0.401 nan 8.290 nan 0.000 0.519 657 M N 0.103 119.730 119.600 0.045 0.000 2.117 657 M HA -0.055 4.426 4.480 0.001 0.000 0.262 657 M C 2.376 178.699 176.300 0.038 0.000 1.065 657 M CA 1.567 56.897 55.300 0.050 0.000 1.114 657 M CB -0.762 31.863 32.600 0.043 0.000 1.361 657 M HN 0.378 nan 8.290 nan 0.000 0.408 658 N N 0.158 118.872 118.700 0.024 0.000 2.106 658 N HA -0.135 4.606 4.740 0.001 0.000 0.188 658 N C 1.773 177.278 175.510 -0.009 0.000 1.029 658 N CA 1.174 54.228 53.050 0.008 0.000 0.848 658 N CB -0.221 38.270 38.487 0.006 0.000 1.007 658 N HN 0.371 nan 8.380 nan 0.000 0.423 659 M N 0.499 120.101 119.600 0.004 0.000 2.080 659 M HA -0.169 4.312 4.480 0.001 0.000 0.260 659 M C 1.728 177.986 176.300 -0.071 0.000 1.068 659 M CA 1.494 56.781 55.300 -0.021 0.000 1.109 659 M CB -0.047 32.574 32.600 0.036 0.000 1.342 659 M HN -0.030 nan 8.290 nan 0.000 0.405 660 I N 0.068 120.651 120.570 0.021 0.000 2.315 660 I HA -0.225 3.945 4.170 0.001 0.000 0.248 660 I C 2.470 178.590 176.117 0.004 0.000 1.117 660 I CA 1.170 62.528 61.300 0.098 0.000 1.404 660 I CB -0.550 37.591 38.000 0.235 0.000 1.071 660 I HN 0.252 nan 8.210 nan 0.000 0.419 661 S N 0.193 115.890 115.700 -0.006 0.000 2.370 661 S HA -0.184 4.287 4.470 0.001 0.000 0.226 661 S C 2.054 176.587 174.600 -0.112 0.000 1.033 661 S CA 1.197 59.377 58.200 -0.034 0.000 1.011 661 S CB -0.156 63.037 63.200 -0.011 0.000 0.852 661 S HN 0.336 nan 8.310 nan 0.000 0.457 662 K N 0.636 120.951 120.400 -0.141 0.000 2.057 662 K HA -0.029 4.292 4.320 0.001 0.000 0.207 662 K C 2.333 178.757 176.600 -0.293 0.000 1.049 662 K CA 1.272 57.454 56.287 -0.175 0.000 0.931 662 K CB -0.970 31.441 32.500 -0.148 0.000 0.714 662 K HN 0.452 nan 8.250 nan 0.000 0.440 663 G N 0.810 109.295 108.800 -0.525 0.000 2.422 663 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 663 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 663 G C 1.547 176.113 174.900 -0.558 0.000 1.146 663 G CA 1.244 45.740 45.100 -1.007 0.000 0.769 663 G HN 0.242 nan 8.290 nan 0.000 0.547 664 T N 0.750 115.100 114.554 -0.340 0.000 2.821 664 T HA -0.043 4.308 4.350 0.001 0.000 0.267 664 T C 2.187 176.698 174.700 -0.315 0.000 1.046 664 T CA 1.435 63.269 62.100 -0.444 0.000 1.139 664 T CB -0.102 68.572 68.868 -0.324 0.000 0.871 664 T HN 0.467 nan 8.240 nan 0.000 0.454 665 E N 0.649 120.736 120.200 -0.188 0.000 2.072 665 E HA -0.074 4.277 4.350 0.001 0.000 0.190 665 E C 2.269 178.825 176.600 -0.075 0.000 0.982 665 E CA 0.859 57.193 56.400 -0.109 0.000 0.803 665 E CB -0.041 29.607 29.700 -0.086 0.000 0.755 665 E HN 0.255 nan 8.360 nan 0.000 0.453 666 K N 0.804 121.151 120.400 -0.089 0.000 2.097 666 K HA -0.064 4.256 4.320 0.001 0.000 0.205 666 K C 1.930 178.546 176.600 0.027 0.000 1.050 666 K CA 1.053 57.319 56.287 -0.035 0.000 0.938 666 K CB -0.092 32.373 32.500 -0.059 0.000 0.718 666 K HN 0.080 nan 8.250 nan 0.000 0.442 667 A N 0.417 123.254 122.820 0.029 0.000 1.933 667 A HA -0.121 4.200 4.320 0.001 0.000 0.218 667 A C 2.018 179.710 177.584 0.180 0.000 1.175 667 A CA 1.309 53.434 52.037 0.148 0.000 0.628 667 A CB -0.548 18.577 19.000 0.207 0.000 0.814 667 A HN 0.272 nan 8.150 nan 0.000 0.444 668 L N -0.869 120.412 121.223 0.096 0.000 2.240 668 L HA -0.073 4.268 4.340 0.001 0.000 0.211 668 L C 2.837 179.790 176.870 0.138 0.000 1.106 668 L CA 1.109 56.036 54.840 0.144 0.000 0.793 668 L CB -0.240 41.867 42.059 0.081 0.000 0.927 668 L HN 0.506 nan 8.230 nan 0.000 0.446 669 S N 0.286 116.043 115.700 0.094 0.000 2.368 669 S HA -0.223 4.248 4.470 0.001 0.000 0.224 669 S C 2.073 176.776 174.600 0.172 0.000 1.029 669 S CA 1.562 59.823 58.200 0.102 0.000 0.988 669 S CB 0.014 63.244 63.200 0.050 0.000 0.838 669 S HN 0.204 nan 8.310 nan 0.000 0.462 670 K N 0.865 121.371 120.400 0.177 0.000 2.148 670 K HA 0.079 4.400 4.320 0.001 0.000 0.204 670 K C 1.898 178.677 176.600 0.298 0.000 1.050 670 K CA 1.065 57.492 56.287 0.233 0.000 0.942 670 K CB -0.769 31.869 32.500 0.231 0.000 0.724 670 K HN 0.386 nan 8.250 nan 0.000 0.446 671 L N 0.494 121.875 121.223 0.263 0.000 2.141 671 L HA -0.110 4.230 4.340 0.001 0.000 0.209 671 L C 2.204 179.225 176.870 0.251 0.000 1.094 671 L CA 1.803 56.782 54.840 0.232 0.000 0.763 671 L CB -0.618 41.589 42.059 0.246 0.000 0.908 671 L HN 0.453 nan 8.230 nan 0.000 0.437 672 H N -0.525 118.626 119.070 0.136 0.000 2.457 672 H HA -0.120 4.436 4.556 0.001 0.000 0.294 672 H C 1.738 177.098 175.328 0.053 0.000 1.064 672 H CA 1.578 57.683 56.048 0.095 0.000 1.330 672 H CB 0.475 30.274 29.762 0.062 0.000 1.395 672 H HN 0.533 nan 8.280 nan 0.000 0.541 673 E N -0.339 119.899 120.200 0.063 0.000 2.150 673 E HA -0.166 4.184 4.350 0.001 0.000 0.193 673 E C 1.506 177.943 176.600 -0.272 0.000 0.985 673 E CA 0.879 57.224 56.400 -0.092 0.000 0.814 673 E CB 0.034 29.712 29.700 -0.036 0.000 0.752 673 E HN 0.553 nan 8.360 nan 0.000 0.466 674 Y N -1.092 119.007 120.300 -0.335 0.000 2.475 674 Y HA 0.057 4.608 4.550 0.002 0.000 0.289 674 Y C 0.409 175.696 175.900 -1.020 0.000 1.121 674 Y CA 0.519 58.195 58.100 -0.707 0.000 1.257 674 Y CB 0.486 38.322 38.460 -1.040 0.000 1.026 674 Y HN -0.101 nan 8.280 nan 0.000 0.555 675 F N 0.383 120.220 119.950 -0.189 0.000 2.769 675 F HA 0.327 4.855 4.527 0.002 0.000 0.358 675 F C -1.966 173.671 175.800 -0.271 0.000 1.285 675 F CA -2.152 55.727 58.000 -0.202 0.000 1.199 675 F CB 1.180 40.072 39.000 -0.180 0.000 1.558 675 F HN -0.185 nan 8.300 nan 0.000 0.583 676 P HA -0.169 nan 4.420 nan 0.000 0.220 676 P C 0.759 177.937 177.300 -0.204 0.000 1.148 676 P CA 1.462 64.274 63.100 -0.479 0.000 0.803 676 P CB 0.330 31.851 31.700 -0.299 0.000 0.782 677 E N -0.978 119.201 120.200 -0.034 0.000 2.482 677 E HA 0.024 4.375 4.350 0.001 0.000 0.196 677 E C 1.057 177.704 176.600 0.079 0.000 1.047 677 E CA -0.163 56.259 56.400 0.036 0.000 0.869 677 E CB -0.248 29.470 29.700 0.029 0.000 0.836 677 E HN 0.293 nan 8.360 nan 0.000 0.520 678 M N 2.410 122.082 119.600 0.119 0.000 2.251 678 M HA -0.022 4.458 4.480 0.001 0.000 0.346 678 M C -0.165 176.235 176.300 0.168 0.000 1.499 678 M CA 0.324 55.702 55.300 0.130 0.000 1.128 678 M CB 0.456 33.143 32.600 0.146 0.000 1.809 678 M HN -0.092 nan 8.290 nan 0.000 0.464 679 Q N 5.382 125.223 119.800 0.068 0.000 2.267 679 Q HA 0.345 4.686 4.340 0.001 0.000 0.255 679 Q C -1.197 174.803 176.000 0.000 0.000 0.923 679 Q CA -0.390 55.431 55.803 0.029 0.000 0.925 679 Q CB 0.859 29.603 28.738 0.009 0.000 1.195 679 Q HN 0.773 nan 8.270 nan 0.000 0.417 680 I N 6.125 126.683 120.570 -0.019 0.000 2.281 680 I HA -0.017 4.154 4.170 0.001 0.000 0.293 680 I C 1.076 177.180 176.117 -0.022 0.000 1.085 680 I CA -0.119 61.168 61.300 -0.021 0.000 1.257 680 I CB 0.543 38.524 38.000 -0.030 0.000 1.430 680 I HN 0.732 nan 8.210 nan 0.000 0.489 681 L N 5.691 126.899 121.223 -0.025 0.000 2.044 681 L HA 0.159 4.499 4.340 0.001 0.000 0.205 681 L C 0.956 177.825 176.870 -0.001 0.000 1.075 681 L CA 0.901 55.730 54.840 -0.018 0.000 0.747 681 L CB 0.202 42.242 42.059 -0.033 0.000 0.903 681 L HN 0.737 nan 8.230 nan 0.000 0.435 682 A N -2.016 120.809 122.820 0.008 0.000 2.517 682 A HA 0.323 4.644 4.320 0.001 0.000 0.297 682 A C 0.110 177.722 177.584 0.046 0.000 1.050 682 A CA -0.396 51.659 52.037 0.030 0.000 0.694 682 A CB 1.284 20.312 19.000 0.048 0.000 1.277 682 A HN -0.118 nan 8.150 nan 0.000 0.400 683 V N 1.504 121.444 119.914 0.043 0.000 2.759 683 V HA 0.051 4.172 4.120 0.001 0.000 0.256 683 V C 0.948 177.099 176.094 0.094 0.000 1.080 683 V CA 2.525 64.857 62.300 0.054 0.000 1.101 683 V CB 0.115 31.954 31.823 0.026 0.000 0.698 683 V HN 1.182 nan 8.190 nan 0.000 0.477 684 S N -0.438 115.321 115.700 0.098 0.000 2.596 684 S HA 0.609 5.079 4.470 0.001 0.000 0.318 684 S C 0.548 175.238 174.600 0.149 0.000 1.097 684 S CA -0.013 58.267 58.200 0.135 0.000 1.080 684 S CB 1.243 64.511 63.200 0.114 0.000 0.991 684 S HN 0.463 nan 8.310 nan 0.000 0.471 685 G N 3.096 112.024 108.800 0.213 0.000 3.448 685 G HA2 0.201 4.162 3.960 0.001 0.000 0.261 685 G HA3 0.201 4.162 3.960 0.001 0.000 0.261 685 G C 0.438 175.532 174.900 0.322 0.000 1.173 685 G CA -0.557 44.709 45.100 0.276 0.000 0.835 685 G HN 0.836 nan 8.290 nan 0.000 0.534 686 N N -1.747 117.091 118.700 0.230 0.000 2.800 686 N HA -0.229 4.512 4.740 0.001 0.000 0.250 686 N C 0.310 175.933 175.510 0.189 0.000 1.078 686 N CA 0.757 53.909 53.050 0.170 0.000 0.804 686 N CB -1.665 36.895 38.487 0.122 0.000 1.135 686 N HN 0.537 nan 8.380 nan 0.000 0.565 687 Y N -0.357 120.010 120.300 0.111 0.000 2.468 687 Y HA 0.242 4.793 4.550 0.002 0.000 0.268 687 Y C 1.693 177.636 175.900 0.072 0.000 1.177 687 Y CA 0.057 58.200 58.100 0.071 0.000 1.265 687 Y CB 0.040 38.594 38.460 0.156 0.000 1.103 687 Y HN 0.362 nan 8.280 nan 0.000 0.522 688 C N -0.958 118.405 119.300 0.106 0.000 2.473 688 C HA -0.020 4.441 4.460 0.001 0.000 0.279 688 C C 1.157 176.126 174.990 -0.035 0.000 1.250 688 C CA 0.873 59.931 59.018 0.066 0.000 1.713 688 C CB -1.112 26.691 27.740 0.104 0.000 2.066 688 C HN 0.321 nan 8.230 nan 0.000 0.474 689 T N 0.882 115.410 114.554 -0.043 0.000 2.824 689 T HA 0.405 4.756 4.350 0.001 0.000 0.280 689 T C -1.088 173.626 174.700 0.023 0.000 0.995 689 T CA 0.099 62.198 62.100 -0.001 0.000 1.009 689 T CB 1.439 70.290 68.868 -0.028 0.000 0.955 689 T HN 0.324 nan 8.240 nan 0.000 0.452 690 D N 2.015 122.441 120.400 0.043 0.000 2.303 690 D HA 0.320 4.961 4.640 0.001 0.000 0.236 690 D C 0.040 176.365 176.300 0.041 0.000 1.068 690 D CA -0.518 53.511 54.000 0.048 0.000 0.830 690 D CB 0.444 41.280 40.800 0.060 0.000 1.109 690 D HN 0.499 nan 8.370 nan 0.000 0.496 691 K N 0.881 121.303 120.400 0.037 0.000 3.209 691 K HA -0.240 4.081 4.320 0.001 0.000 0.289 691 K C -0.584 176.027 176.600 0.018 0.000 1.191 691 K CA 0.737 57.042 56.287 0.030 0.000 0.851 691 K CB -1.095 31.426 32.500 0.036 0.000 1.242 691 K HN 0.325 nan 8.250 nan 0.000 0.480 692 K N 0.084 120.492 120.400 0.013 0.000 2.464 692 K HA 0.348 4.669 4.320 0.001 0.000 0.253 692 K C -2.751 173.844 176.600 -0.009 0.000 0.933 692 K CA -2.062 54.226 56.287 0.002 0.000 0.801 692 K CB 1.525 34.029 32.500 0.008 0.000 1.271 692 K HN -0.240 nan 8.250 nan 0.000 0.430 693 P HA 0.196 nan 4.420 nan 0.000 0.267 693 P C -1.367 175.914 177.300 -0.032 0.000 1.209 693 P CA -0.252 62.826 63.100 -0.036 0.000 0.763 693 P CB 0.852 32.518 31.700 -0.057 0.000 0.816 694 A N 2.793 125.597 122.820 -0.026 0.000 2.517 694 A HA 0.577 4.898 4.320 0.001 0.000 0.297 694 A C 0.928 178.512 177.584 -0.000 0.000 1.050 694 A CA -0.177 51.843 52.037 -0.029 0.000 0.694 694 A CB 1.352 20.322 19.000 -0.050 0.000 1.277 694 A HN 0.379 nan 8.150 nan 0.000 0.400 695 A N 1.809 124.633 122.820 0.005 0.000 2.019 695 A HA -0.035 4.286 4.320 0.001 0.000 0.219 695 A C 1.742 179.366 177.584 0.067 0.000 1.164 695 A CA 1.708 53.792 52.037 0.078 0.000 0.644 695 A CB -0.565 18.476 19.000 0.067 0.000 0.805 695 A HN 1.154 nan 8.150 nan 0.000 0.449 696 I N -0.073 120.461 120.570 -0.061 0.000 2.286 696 I HA -0.277 3.894 4.170 0.001 0.000 0.248 696 I C 1.770 177.821 176.117 -0.110 0.000 1.115 696 I CA 1.552 62.748 61.300 -0.172 0.000 1.392 696 I CB -0.155 37.593 38.000 -0.419 0.000 1.065 696 I HN 0.300 nan 8.210 nan 0.000 0.418 697 N N 0.319 118.996 118.700 -0.039 0.000 2.244 697 N HA -0.241 4.500 4.740 0.001 0.000 0.183 697 N C 1.491 177.064 175.510 0.104 0.000 1.016 697 N CA 1.310 54.368 53.050 0.014 0.000 0.866 697 N CB -0.582 37.928 38.487 0.038 0.000 0.980 697 N HN 0.620 nan 8.380 nan 0.000 0.430 698 W N 1.340 122.608 121.300 -0.053 0.000 2.358 698 W HA -0.046 4.603 4.660 -0.018 0.000 0.303 698 W C 1.380 177.880 176.519 -0.031 0.000 1.208 698 W CA 0.765 58.095 57.345 -0.025 0.000 1.274 698 W CB 0.004 29.462 29.460 -0.003 0.000 1.138 698 W HN -0.011 nan 8.180 nan 0.000 0.515 699 I N 0.059 120.616 120.570 -0.022 0.000 2.628 699 I HA -0.141 4.030 4.170 0.001 0.000 0.255 699 I C 2.167 178.200 176.117 -0.139 0.000 1.119 699 I CA 0.811 62.032 61.300 -0.131 0.000 1.448 699 I CB -0.409 37.580 38.000 -0.020 0.000 1.133 699 I HN -0.268 nan 8.210 nan 0.000 0.438 700 E N 1.078 121.208 120.200 -0.117 0.000 2.385 700 E HA 0.176 4.526 4.350 0.001 0.000 0.194 700 E C 0.961 177.502 176.600 -0.097 0.000 1.013 700 E CA 0.587 56.918 56.400 -0.115 0.000 0.866 700 E CB -0.002 29.599 29.700 -0.165 0.000 0.832 700 E HN 0.394 nan 8.360 nan 0.000 0.500 701 G N 1.633 110.378 108.800 -0.093 0.000 2.819 701 G HA2 -0.272 3.689 3.960 0.001 0.000 0.682 701 G HA3 -0.272 3.689 3.960 0.001 0.000 0.682 701 G C -0.416 174.463 174.900 -0.034 0.000 1.481 701 G CA 0.018 45.081 45.100 -0.062 0.000 0.904 701 G HN 0.231 nan 8.290 nan 0.000 0.563 702 R N 0.388 120.885 120.500 -0.006 0.000 2.566 702 R HA 0.589 4.929 4.340 0.001 0.000 0.271 702 R C 1.019 177.335 176.300 0.027 0.000 1.071 702 R CA 0.760 56.867 56.100 0.012 0.000 0.915 702 R CB 1.157 31.468 30.300 0.019 0.000 1.228 702 R HN 2.755 nan 8.270 nan 0.000 0.449 703 G N 3.280 112.100 108.800 0.033 0.000 2.561 703 G HA2 -0.285 3.676 3.960 0.001 0.000 0.289 703 G HA3 -0.285 3.676 3.960 0.001 0.000 0.289 703 G C -1.116 173.796 174.900 0.019 0.000 1.169 703 G CA 0.107 45.227 45.100 0.033 0.000 0.980 703 G HN 0.466 nan 8.290 nan 0.000 0.550 704 K N 1.400 121.811 120.400 0.019 0.000 2.227 704 K HA 0.620 4.941 4.320 0.001 0.000 0.280 704 K C -0.261 176.339 176.600 0.001 0.000 1.041 704 K CA -0.249 56.042 56.287 0.006 0.000 0.905 704 K CB 1.466 33.968 32.500 0.003 0.000 1.068 704 K HN 0.450 nan 8.250 nan 0.000 0.470 705 S N 1.562 117.253 115.700 -0.015 0.000 2.475 705 S HA 0.502 4.973 4.470 0.001 0.000 0.281 705 S C -0.100 174.482 174.600 -0.029 0.000 1.198 705 S CA -0.784 57.397 58.200 -0.033 0.000 1.063 705 S CB 0.894 64.059 63.200 -0.057 0.000 0.972 705 S HN 0.280 nan 8.310 nan 0.000 0.486 706 V N 3.259 123.157 119.914 -0.027 0.000 2.841 706 V HA 0.626 4.746 4.120 0.001 0.000 0.310 706 V C -0.497 175.584 176.094 -0.021 0.000 1.090 706 V CA -0.772 61.517 62.300 -0.019 0.000 0.930 706 V CB 2.052 33.868 31.823 -0.011 0.000 1.014 706 V HN 0.605 nan 8.190 nan 0.000 0.425 707 V N 3.190 123.095 119.914 -0.015 0.000 2.769 707 V HA 0.833 4.954 4.120 0.001 0.000 0.312 707 V C -0.900 175.193 176.094 -0.002 0.000 1.061 707 V CA -0.196 62.099 62.300 -0.008 0.000 0.931 707 V CB 1.944 33.765 31.823 -0.003 0.000 1.010 707 V HN 1.155 nan 8.190 nan 0.000 0.433 708 C N 5.320 124.616 119.300 -0.005 0.000 3.086 708 C HA 0.906 5.367 4.460 0.001 0.000 0.311 708 C C -1.136 173.832 174.990 -0.038 0.000 1.260 708 C CA -0.035 58.976 59.018 -0.012 0.000 1.426 708 C CB 1.409 29.139 27.740 -0.016 0.000 1.826 708 C HN 1.136 nan 8.230 nan 0.000 0.474 709 E N 3.114 123.287 120.200 -0.045 0.000 2.390 709 E HA 0.788 5.139 4.350 0.001 0.000 0.280 709 E C -1.399 175.144 176.600 -0.095 0.000 0.992 709 E CA -0.685 55.641 56.400 -0.124 0.000 0.790 709 E CB 1.768 31.449 29.700 -0.033 0.000 1.248 709 E HN 1.306 nan 8.360 nan 0.000 0.447 710 A N 1.157 123.868 122.820 -0.181 0.000 2.608 710 A HA 0.600 4.921 4.320 0.001 0.000 0.292 710 A C -1.605 175.931 177.584 -0.080 0.000 1.066 710 A CA -0.678 51.313 52.037 -0.076 0.000 0.676 710 A CB 1.853 20.824 19.000 -0.049 0.000 1.277 710 A HN 0.381 nan 8.150 nan 0.000 0.413 711 V N 2.204 122.132 119.914 0.023 0.000 2.459 711 V HA 0.496 4.617 4.120 0.001 0.000 0.295 711 V C -0.765 175.348 176.094 0.032 0.000 1.029 711 V CA -0.496 61.842 62.300 0.062 0.000 0.874 711 V CB 1.500 33.394 31.823 0.119 0.000 0.985 711 V HN 0.635 nan 8.190 nan 0.000 0.438 712 I N 5.891 126.477 120.570 0.027 0.000 2.354 712 I HA 0.408 4.579 4.170 0.001 0.000 0.286 712 I C -2.464 173.667 176.117 0.025 0.000 1.007 712 I CA -2.783 58.528 61.300 0.018 0.000 1.167 712 I CB 1.305 39.309 38.000 0.007 0.000 1.320 712 I HN 0.344 nan 8.210 nan 0.000 0.458 713 P HA -0.017 nan 4.420 nan 0.000 0.266 713 P C 0.845 178.156 177.300 0.018 0.000 1.186 713 P CA 0.287 63.400 63.100 0.021 0.000 0.767 713 P CB 0.874 32.584 31.700 0.017 0.000 0.820 714 A N 4.179 127.010 122.820 0.018 0.000 1.917 714 A HA -0.272 4.049 4.320 0.001 0.000 0.219 714 A C 2.087 179.678 177.584 0.012 0.000 1.182 714 A CA 1.989 54.035 52.037 0.015 0.000 0.633 714 A CB -1.121 17.888 19.000 0.014 0.000 0.819 714 A HN 0.607 nan 8.150 nan 0.000 0.448 715 K N -0.391 120.016 120.400 0.011 0.000 2.063 715 K HA -0.107 4.214 4.320 0.001 0.000 0.208 715 K C 1.732 178.337 176.600 0.009 0.000 1.048 715 K CA 1.720 58.013 56.287 0.009 0.000 0.928 715 K CB -0.236 32.269 32.500 0.009 0.000 0.713 715 K HN 0.270 nan 8.250 nan 0.000 0.442 716 V N 0.697 120.617 119.914 0.010 0.000 2.548 716 V HA -0.164 3.956 4.120 0.001 0.000 0.249 716 V C 2.231 178.330 176.094 0.008 0.000 1.055 716 V CA 1.110 63.415 62.300 0.009 0.000 1.065 716 V CB 0.165 31.994 31.823 0.010 0.000 0.681 716 V HN 0.145 nan 8.190 nan 0.000 0.462 717 V N -0.087 119.833 119.914 0.009 0.000 2.515 717 V HA -0.214 3.906 4.120 0.001 0.000 0.250 717 V C 2.552 178.650 176.094 0.006 0.000 1.058 717 V CA 1.887 64.192 62.300 0.008 0.000 1.064 717 V CB -0.723 31.106 31.823 0.010 0.000 0.675 717 V HN 0.472 nan 8.190 nan 0.000 0.461 718 R N -0.199 120.305 120.500 0.007 0.000 2.055 718 R HA -0.084 4.257 4.340 0.001 0.000 0.226 718 R C 2.354 178.656 176.300 0.004 0.000 1.135 718 R CA 1.534 57.637 56.100 0.005 0.000 0.959 718 R CB -0.186 30.117 30.300 0.005 0.000 0.854 718 R HN 0.557 nan 8.270 nan 0.000 0.431 719 E N -0.229 119.974 120.200 0.005 0.000 2.112 719 E HA -0.079 4.272 4.350 0.001 0.000 0.190 719 E C 1.863 178.465 176.600 0.004 0.000 0.979 719 E CA 0.913 57.315 56.400 0.004 0.000 0.814 719 E CB 0.354 30.057 29.700 0.005 0.000 0.762 719 E HN 0.069 nan 8.360 nan 0.000 0.460 720 V N 0.573 120.490 119.914 0.005 0.000 2.575 720 V HA -0.044 4.077 4.120 0.001 0.000 0.242 720 V C 1.801 177.898 176.094 0.005 0.000 1.045 720 V CA 0.944 63.248 62.300 0.006 0.000 1.065 720 V CB 0.033 31.860 31.823 0.007 0.000 0.717 720 V HN 0.217 nan 8.190 nan 0.000 0.467 721 L N -0.501 120.725 121.223 0.004 0.000 2.616 721 L HA 0.257 4.597 4.340 0.001 0.000 0.229 721 L C 0.633 177.503 176.870 0.000 0.000 1.110 721 L CA -0.046 54.795 54.840 0.002 0.000 0.884 721 L CB 0.076 42.137 42.059 0.003 0.000 1.115 721 L HN 0.206 nan 8.230 nan 0.000 0.481 722 K N 0.586 120.986 120.400 0.001 0.000 3.117 722 K HA -0.179 4.141 4.320 0.001 0.000 0.269 722 K C 0.156 176.756 176.600 -0.001 0.000 1.098 722 K CA 0.993 57.280 56.287 -0.000 0.000 0.785 722 K CB -2.288 30.211 32.500 -0.002 0.000 1.242 722 K HN 0.469 nan 8.250 nan 0.000 0.491 723 T N -1.589 112.965 114.554 0.001 0.000 2.612 723 T HA 0.560 4.910 4.350 0.001 0.000 0.296 723 T C -1.134 173.569 174.700 0.004 0.000 1.148 723 T CA 0.305 62.406 62.100 0.001 0.000 1.077 723 T CB 1.647 70.514 68.868 -0.001 0.000 1.591 723 T HN 0.265 nan 8.240 nan 0.000 0.479 724 T N -1.140 113.417 114.554 0.005 0.000 2.930 724 T HA 0.487 4.838 4.350 0.001 0.000 0.290 724 T C 1.101 175.807 174.700 0.010 0.000 1.052 724 T CA -0.193 61.911 62.100 0.008 0.000 1.017 724 T CB 1.052 69.925 68.868 0.007 0.000 1.137 724 T HN 0.457 nan 8.240 nan 0.000 0.511 725 T N 0.376 114.939 114.554 0.014 0.000 2.759 725 T HA -0.111 4.239 4.350 0.001 0.000 0.269 725 T C 1.636 176.348 174.700 0.019 0.000 1.042 725 T CA 1.823 63.935 62.100 0.019 0.000 1.140 725 T CB -0.354 68.529 68.868 0.024 0.000 0.864 725 T HN 0.832 nan 8.240 nan 0.000 0.455 726 E N 0.632 120.842 120.200 0.016 0.000 2.106 726 E HA -0.076 4.275 4.350 0.001 0.000 0.192 726 E C 2.344 178.952 176.600 0.013 0.000 0.984 726 E CA 0.895 57.304 56.400 0.015 0.000 0.806 726 E CB -0.149 29.558 29.700 0.012 0.000 0.750 726 E HN 0.486 nan 8.360 nan 0.000 0.458 727 A N 0.909 123.735 122.820 0.010 0.000 1.929 727 A HA -0.123 4.197 4.320 0.001 0.000 0.216 727 A C 2.159 179.748 177.584 0.008 0.000 1.176 727 A CA 1.083 53.125 52.037 0.007 0.000 0.628 727 A CB -0.295 18.708 19.000 0.004 0.000 0.816 727 A HN 0.251 nan 8.150 nan 0.000 0.444 728 M N -0.430 119.176 119.600 0.010 0.000 2.117 728 M HA -0.079 4.402 4.480 0.001 0.000 0.262 728 M C 2.169 178.479 176.300 0.016 0.000 1.065 728 M CA 1.396 56.702 55.300 0.010 0.000 1.114 728 M CB -1.107 31.499 32.600 0.011 0.000 1.361 728 M HN 0.423 nan 8.290 nan 0.000 0.408 729 I N -0.156 120.427 120.570 0.021 0.000 2.142 729 I HA -0.298 3.872 4.170 0.001 0.000 0.240 729 I C 2.497 178.628 176.117 0.024 0.000 1.078 729 I CA 1.374 62.690 61.300 0.028 0.000 1.343 729 I CB -0.490 37.529 38.000 0.031 0.000 1.046 729 I HN 0.380 nan 8.210 nan 0.000 0.405 730 E N 0.721 120.932 120.200 0.018 0.000 2.097 730 E HA -0.219 4.132 4.350 0.001 0.000 0.196 730 E C 2.269 178.878 176.600 0.014 0.000 1.000 730 E CA 1.642 58.051 56.400 0.015 0.000 0.804 730 E CB 0.143 29.850 29.700 0.011 0.000 0.740 730 E HN 0.288 nan 8.360 nan 0.000 0.454 731 V N 0.988 120.909 119.914 0.012 0.000 2.379 731 V HA -0.216 3.904 4.120 0.001 0.000 0.245 731 V C 2.191 178.295 176.094 0.016 0.000 1.044 731 V CA 1.953 64.259 62.300 0.009 0.000 1.036 731 V CB -0.752 31.072 31.823 0.001 0.000 0.664 731 V HN 0.336 nan 8.190 nan 0.000 0.453 732 N N 0.336 119.049 118.700 0.022 0.000 2.069 732 N HA -0.154 4.587 4.740 0.001 0.000 0.191 732 N C 1.679 177.215 175.510 0.043 0.000 1.031 732 N CA 1.731 54.801 53.050 0.033 0.000 0.852 732 N CB -0.245 38.263 38.487 0.036 0.000 1.018 732 N HN 0.446 nan 8.380 nan 0.000 0.423 733 I N 0.390 120.983 120.570 0.038 0.000 2.163 733 I HA -0.277 3.893 4.170 0.001 0.000 0.243 733 I C 1.507 177.649 176.117 0.042 0.000 1.085 733 I CA 1.130 62.454 61.300 0.040 0.000 1.347 733 I CB -0.283 37.736 38.000 0.031 0.000 1.044 733 I HN 0.310 nan 8.210 nan 0.000 0.408 734 N N 0.040 118.758 118.700 0.031 0.000 2.422 734 N HA -0.078 4.663 4.740 0.001 0.000 0.181 734 N C 1.599 177.122 175.510 0.023 0.000 1.080 734 N CA 0.519 53.584 53.050 0.025 0.000 0.893 734 N CB 0.398 38.895 38.487 0.016 0.000 0.973 734 N HN 0.448 nan 8.380 nan 0.000 0.456 735 K N 0.964 121.379 120.400 0.024 0.000 2.218 735 K HA 0.115 4.436 4.320 0.001 0.000 0.214 735 K C 1.100 177.719 176.600 0.030 0.000 1.033 735 K CA 0.296 56.592 56.287 0.015 0.000 0.949 735 K CB 0.203 32.705 32.500 0.004 0.000 0.993 735 K HN -0.144 nan 8.250 nan 0.000 0.464 736 N N 0.954 119.686 118.700 0.053 0.000 2.396 736 N HA -0.022 4.719 4.740 0.001 0.000 0.180 736 N C 1.670 177.302 175.510 0.202 0.000 1.028 736 N CA 0.790 53.897 53.050 0.094 0.000 0.893 736 N CB 0.153 38.698 38.487 0.097 0.000 0.967 736 N HN 0.250 nan 8.380 nan 0.000 0.440 737 L N -0.940 120.386 121.223 0.171 0.000 2.379 737 L HA 0.140 4.481 4.340 0.001 0.000 0.190 737 L C 1.992 178.974 176.870 0.188 0.000 1.111 737 L CA 0.319 55.294 54.840 0.225 0.000 0.820 737 L CB -0.566 41.553 42.059 0.101 0.000 1.046 737 L HN -0.153 nan 8.230 nan 0.000 0.485 738 V N 0.609 120.582 119.914 0.099 0.000 2.379 738 V HA -0.107 4.014 4.120 0.001 0.000 0.245 738 V C 2.590 178.714 176.094 0.049 0.000 1.044 738 V CA 1.972 64.313 62.300 0.069 0.000 1.036 738 V CB -1.224 30.623 31.823 0.041 0.000 0.664 738 V HN 0.560 nan 8.190 nan 0.000 0.453 739 G N -0.397 108.421 108.800 0.031 0.000 2.404 739 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 739 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 739 G C 1.846 176.727 174.900 -0.032 0.000 1.174 739 G CA 1.127 46.225 45.100 -0.002 0.000 0.780 739 G HN 0.494 nan 8.290 nan 0.000 0.537 740 S N 1.071 116.741 115.700 -0.050 0.000 2.383 740 S HA -0.039 4.432 4.470 0.001 0.000 0.229 740 S C 2.757 177.265 174.600 -0.153 0.000 1.030 740 S CA 1.217 59.307 58.200 -0.185 0.000 1.002 740 S CB -0.348 62.627 63.200 -0.375 0.000 0.829 740 S HN 0.592 nan 8.310 nan 0.000 0.467 741 A N 1.644 124.477 122.820 0.022 0.000 1.902 741 A HA -0.070 4.251 4.320 0.001 0.000 0.217 741 A C 2.051 179.641 177.584 0.011 0.000 1.181 741 A CA 1.427 53.509 52.037 0.075 0.000 0.623 741 A CB -0.497 18.586 19.000 0.139 0.000 0.818 741 A HN 0.360 nan 8.150 nan 0.000 0.443 742 M N -0.338 119.262 119.600 0.000 0.000 2.229 742 M HA 0.014 4.494 4.480 0.001 0.000 0.264 742 M C 2.208 178.490 176.300 -0.030 0.000 1.063 742 M CA 1.142 56.436 55.300 -0.010 0.000 1.114 742 M CB -1.480 31.115 32.600 -0.008 0.000 1.387 742 M HN 0.466 nan 8.290 nan 0.000 0.420 743 A N -0.787 122.000 122.820 -0.054 0.000 2.208 743 A HA 0.432 4.753 4.320 0.001 0.000 0.209 743 A C 1.482 179.016 177.584 -0.084 0.000 1.161 743 A CA 0.792 52.787 52.037 -0.071 0.000 0.782 743 A CB -0.706 18.240 19.000 -0.090 0.000 0.816 743 A HN 0.628 nan 8.150 nan 0.000 0.477 744 G N -0.320 108.430 108.800 -0.083 0.000 2.291 744 G HA2 -0.154 3.807 3.960 0.001 0.000 0.271 744 G HA3 -0.154 3.807 3.960 0.001 0.000 0.271 744 G C 0.121 174.938 174.900 -0.139 0.000 1.099 744 G CA 0.442 45.493 45.100 -0.082 0.000 0.919 744 G HN 0.889 nan 8.290 nan 0.000 0.496 745 S N -0.301 115.264 115.700 -0.225 0.000 2.537 745 S HA 0.683 5.153 4.470 0.001 0.000 0.275 745 S C 0.665 175.044 174.600 -0.368 0.000 1.272 745 S CA -0.750 57.230 58.200 -0.367 0.000 1.050 745 S CB 0.259 63.094 63.200 -0.608 0.000 0.961 745 S HN 0.367 nan 8.310 nan 0.000 0.496 746 I N 4.573 124.937 120.570 -0.344 0.000 2.330 746 I HA 0.342 4.512 4.170 0.001 0.000 0.286 746 I C 1.317 177.046 176.117 -0.647 0.000 1.025 746 I CA 0.129 61.202 61.300 -0.378 0.000 1.197 746 I CB 0.151 38.014 38.000 -0.227 0.000 1.358 746 I HN 1.009 nan 8.210 nan 0.000 0.467 747 G N 4.841 112.986 108.800 -1.092 0.000 2.159 747 G HA2 -0.212 3.749 3.960 0.001 0.000 0.256 747 G HA3 -0.212 3.749 3.960 0.001 0.000 0.256 747 G C 0.759 175.185 174.900 -0.790 0.000 0.977 747 G CA 0.051 44.161 45.100 -1.649 0.000 0.652 747 G HN 0.909 nan 8.290 nan 0.000 0.531 748 G N -0.323 108.061 108.800 -0.693 0.000 4.486 748 G HA2 0.487 4.448 3.960 0.001 0.000 0.306 748 G HA3 0.487 4.448 3.960 0.001 0.000 0.306 748 G C 0.044 174.658 174.900 -0.477 0.000 1.331 748 G CA -0.494 44.330 45.100 -0.459 0.000 1.113 748 G HN 0.385 nan 8.290 nan 0.000 0.594 749 Y N 1.642 121.853 120.300 -0.147 0.000 2.880 749 Y HA 0.254 4.815 4.550 0.019 0.000 0.386 749 Y C 0.718 176.623 175.900 0.008 0.000 1.172 749 Y CA -0.840 57.233 58.100 -0.045 0.000 1.770 749 Y CB -0.317 38.149 38.460 0.009 0.000 1.809 749 Y HN 0.576 nan 8.280 nan 0.000 0.472 750 N N -1.991 116.745 118.700 0.059 0.000 2.825 750 N HA 0.659 5.400 4.740 0.001 0.000 0.253 750 N C 0.071 175.603 175.510 0.037 0.000 1.426 750 N CA -0.524 52.567 53.050 0.068 0.000 0.851 750 N CB 0.793 39.324 38.487 0.073 0.000 1.470 750 N HN -0.043 nan 8.380 nan 0.000 0.517 751 A N -0.184 122.676 122.820 0.066 0.000 1.844 751 A HA 0.061 4.382 4.320 0.001 0.000 0.212 751 A C 0.849 178.504 177.584 0.119 0.000 1.221 751 A CA 1.628 53.695 52.037 0.051 0.000 0.607 751 A CB -0.992 18.016 19.000 0.014 0.000 0.878 751 A HN 0.989 nan 8.150 nan 0.000 0.451 752 H N -4.662 114.392 119.070 -0.027 0.000 3.237 752 H HA 0.650 5.206 4.556 -0.000 0.000 0.224 752 H C 0.798 176.103 175.328 -0.037 0.000 1.370 752 H CA 0.113 56.139 56.048 -0.035 0.000 1.112 752 H CB -0.134 29.610 29.762 -0.031 0.000 2.482 752 H HN 0.283 nan 8.280 nan 0.000 0.561 753 A N 1.328 124.123 122.820 -0.042 0.000 1.958 753 A HA -0.220 4.101 4.320 0.001 0.000 0.221 753 A C 2.578 180.059 177.584 -0.171 0.000 1.178 753 A CA 2.241 54.206 52.037 -0.120 0.000 0.642 753 A CB -0.958 18.014 19.000 -0.046 0.000 0.816 753 A HN 0.774 nan 8.150 nan 0.000 0.453 754 A N -0.152 122.590 122.820 -0.129 0.000 1.940 754 A HA -0.216 4.105 4.320 0.001 0.000 0.219 754 A C 1.949 179.438 177.584 -0.158 0.000 1.176 754 A CA 1.819 53.772 52.037 -0.141 0.000 0.631 754 A CB -0.625 18.318 19.000 -0.095 0.000 0.814 754 A HN 0.567 nan 8.150 nan 0.000 0.446 755 N N -0.119 118.480 118.700 -0.168 0.000 2.069 755 N HA -0.133 4.607 4.740 0.001 0.000 0.191 755 N C 1.486 176.884 175.510 -0.186 0.000 1.031 755 N CA 1.645 54.600 53.050 -0.159 0.000 0.852 755 N CB -0.398 37.996 38.487 -0.155 0.000 1.018 755 N HN 0.440 nan 8.380 nan 0.000 0.423 756 I N 0.280 120.688 120.570 -0.269 0.000 2.233 756 I HA -0.134 4.036 4.170 0.001 0.000 0.243 756 I C 2.247 178.276 176.117 -0.147 0.000 1.093 756 I CA 0.480 61.665 61.300 -0.192 0.000 1.380 756 I CB -0.590 37.284 38.000 -0.210 0.000 1.067 756 I HN -0.140 nan 8.210 nan 0.000 0.413 757 V N 0.331 120.122 119.914 -0.206 0.000 2.282 757 V HA -0.359 3.762 4.120 0.001 0.000 0.249 757 V C 2.474 178.359 176.094 -0.348 0.000 1.057 757 V CA 2.598 64.700 62.300 -0.330 0.000 1.032 757 V CB -1.195 30.353 31.823 -0.459 0.000 0.645 757 V HN 0.473 nan 8.190 nan 0.000 0.447 758 T N 0.094 114.507 114.554 -0.236 0.000 2.777 758 T HA -0.125 4.226 4.350 0.001 0.000 0.266 758 T C 2.029 176.729 174.700 0.001 0.000 1.040 758 T CA 1.589 63.619 62.100 -0.117 0.000 1.141 758 T CB -0.413 68.403 68.868 -0.087 0.000 0.868 758 T HN 0.583 nan 8.240 nan 0.000 0.444 759 A N 1.018 123.830 122.820 -0.014 0.000 1.898 759 A HA 0.042 4.363 4.320 0.001 0.000 0.216 759 A C 2.277 179.892 177.584 0.053 0.000 1.181 759 A CA 1.046 53.094 52.037 0.017 0.000 0.620 759 A CB -0.711 18.287 19.000 -0.004 0.000 0.819 759 A HN 0.514 nan 8.150 nan 0.000 0.442 760 I N -1.868 118.743 120.570 0.069 0.000 2.315 760 I HA -0.241 3.929 4.170 0.001 0.000 0.248 760 I C 2.314 178.546 176.117 0.192 0.000 1.117 760 I CA 1.145 62.511 61.300 0.110 0.000 1.404 760 I CB -0.383 37.684 38.000 0.112 0.000 1.071 760 I HN 0.324 nan 8.210 nan 0.000 0.419 761 Y N 0.795 121.081 120.300 -0.024 0.000 2.181 761 Y HA -0.184 4.367 4.550 0.002 0.000 0.288 761 Y C 2.415 178.310 175.900 -0.009 0.000 1.146 761 Y CA 1.153 59.242 58.100 -0.017 0.000 1.164 761 Y CB -0.565 37.886 38.460 -0.015 0.000 0.982 761 Y HN 0.100 nan 8.280 nan 0.000 0.515 762 I N -1.008 119.650 120.570 0.147 0.000 2.353 762 I HA -0.251 3.920 4.170 0.001 0.000 0.248 762 I C 2.497 178.643 176.117 0.048 0.000 1.119 762 I CA 1.031 62.379 61.300 0.080 0.000 1.417 762 I CB -0.533 37.506 38.000 0.064 0.000 1.078 762 I HN 0.111 nan 8.210 nan 0.000 0.421 763 A N -0.401 122.447 122.820 0.046 0.000 1.930 763 A HA -0.189 4.132 4.320 0.001 0.000 0.217 763 A C 2.030 179.620 177.584 0.010 0.000 1.175 763 A CA 1.431 53.484 52.037 0.027 0.000 0.627 763 A CB -0.835 18.182 19.000 0.028 0.000 0.815 763 A HN 0.560 nan 8.150 nan 0.000 0.443 764 C N -0.886 118.413 119.300 -0.002 0.000 2.688 764 C HA 0.520 4.981 4.460 0.001 0.000 0.297 764 C C 1.690 176.643 174.990 -0.062 0.000 1.308 764 C CA -0.138 58.860 59.018 -0.034 0.000 1.726 764 C CB -1.069 26.642 27.740 -0.049 0.000 1.982 764 C HN 1.068 nan 8.230 nan 0.000 0.604 765 G N 1.294 110.068 108.800 -0.043 0.000 2.147 765 G HA2 -0.181 3.779 3.960 0.001 0.000 0.244 765 G HA3 -0.181 3.779 3.960 0.001 0.000 0.244 765 G C 0.010 174.859 174.900 -0.085 0.000 1.005 765 G CA 0.017 45.090 45.100 -0.045 0.000 0.713 765 G HN 0.506 nan 8.290 nan 0.000 0.515 766 Q N 0.012 119.726 119.800 -0.144 0.000 2.316 766 Q HA 0.385 4.725 4.340 0.001 0.000 0.215 766 Q C -0.111 175.838 176.000 -0.085 0.000 1.020 766 Q CA -0.553 55.098 55.803 -0.254 0.000 0.970 766 Q CB 0.554 28.841 28.738 -0.752 0.000 1.187 766 Q HN 0.302 nan 8.270 nan 0.000 0.546 767 D N 0.040 120.408 120.400 -0.054 0.000 2.393 767 D HA 0.262 4.903 4.640 0.001 0.000 0.232 767 D C 0.215 176.631 176.300 0.193 0.000 1.192 767 D CA -0.132 53.903 54.000 0.059 0.000 0.882 767 D CB 0.845 41.674 40.800 0.048 0.000 1.038 767 D HN 0.518 nan 8.370 nan 0.000 0.499 768 A N 3.657 126.582 122.820 0.176 0.000 2.121 768 A HA 0.017 4.338 4.320 0.001 0.000 0.218 768 A C 2.038 179.690 177.584 0.113 0.000 1.154 768 A CA 1.321 53.476 52.037 0.196 0.000 0.679 768 A CB -0.155 18.918 19.000 0.121 0.000 0.795 768 A HN 0.600 nan 8.150 nan 0.000 0.458 769 A N -0.501 122.374 122.820 0.091 0.000 2.019 769 A HA -0.171 4.150 4.320 0.001 0.000 0.219 769 A C 1.921 179.542 177.584 0.062 0.000 1.164 769 A CA 1.361 53.433 52.037 0.058 0.000 0.644 769 A CB -0.414 18.616 19.000 0.050 0.000 0.805 769 A HN 0.638 nan 8.150 nan 0.000 0.449 770 Q N -0.563 119.304 119.800 0.112 0.000 2.482 770 Q HA -0.090 4.250 4.340 0.001 0.000 0.209 770 Q C 1.442 177.479 176.000 0.061 0.000 0.961 770 Q CA 0.502 56.377 55.803 0.120 0.000 0.945 770 Q CB -0.257 28.593 28.738 0.187 0.000 1.012 770 Q HN 0.760 nan 8.270 nan 0.000 0.515 771 N N 0.254 118.939 118.700 -0.026 0.000 2.272 771 N HA -0.160 4.581 4.740 0.001 0.000 0.185 771 N C 1.371 176.823 175.510 -0.097 0.000 1.014 771 N CA 0.932 53.882 53.050 -0.168 0.000 0.870 771 N CB 0.022 38.407 38.487 -0.171 0.000 0.975 771 N HN 0.010 nan 8.380 nan 0.000 0.433 772 V N -0.150 119.739 119.914 -0.042 0.000 2.219 772 V HA -0.213 3.907 4.120 0.001 0.000 0.248 772 V C 2.319 178.397 176.094 -0.027 0.000 1.053 772 V CA 2.244 64.524 62.300 -0.034 0.000 1.009 772 V CB -1.292 30.522 31.823 -0.015 0.000 0.636 772 V HN 0.577 nan 8.190 nan 0.000 0.445 773 G N -1.570 107.229 108.800 -0.001 0.000 2.494 773 G HA2 -0.114 3.847 3.960 0.001 0.000 0.216 773 G HA3 -0.114 3.847 3.960 0.001 0.000 0.216 773 G C 1.714 176.633 174.900 0.032 0.000 1.140 773 G CA 0.824 45.937 45.100 0.023 0.000 0.801 773 G HN 0.509 nan 8.290 nan 0.000 0.536 774 S N 0.974 116.676 115.700 0.004 0.000 2.453 774 S HA -0.020 4.451 4.470 0.001 0.000 0.231 774 S C 2.396 176.959 174.600 -0.060 0.000 1.005 774 S CA 0.859 59.053 58.200 -0.010 0.000 0.949 774 S CB 0.044 63.223 63.200 -0.036 0.000 0.774 774 S HN 0.295 nan 8.310 nan 0.000 0.510 775 S N 1.963 117.611 115.700 -0.086 0.000 2.561 775 S HA 0.122 4.593 4.470 0.001 0.000 0.225 775 S C 0.410 175.005 174.600 -0.007 0.000 0.977 775 S CA -0.145 58.007 58.200 -0.081 0.000 0.926 775 S CB -0.248 62.888 63.200 -0.107 0.000 0.769 775 S HN 0.419 nan 8.310 nan 0.000 0.533 776 N N 1.757 120.488 118.700 0.051 0.000 2.359 776 N HA 0.100 4.841 4.740 0.001 0.000 0.261 776 N C -0.586 175.092 175.510 0.279 0.000 1.267 776 N CA 0.376 53.525 53.050 0.165 0.000 0.864 776 N CB 0.311 38.999 38.487 0.334 0.000 1.063 776 N HN 0.258 nan 8.380 nan 0.000 0.474 777 C N 3.763 123.254 119.300 0.319 0.000 3.113 777 C HA 0.544 5.004 4.460 0.001 0.000 0.376 777 C C -0.950 174.266 174.990 0.376 0.000 1.077 777 C CA -0.983 58.218 59.018 0.304 0.000 1.253 777 C CB 0.309 28.130 27.740 0.135 0.000 1.637 777 C HN 0.756 nan 8.230 nan 0.000 0.535 778 I N 4.817 125.629 120.570 0.403 0.000 2.406 778 I HA 0.540 4.711 4.170 0.001 0.000 0.290 778 I C -0.150 176.074 176.117 0.177 0.000 0.999 778 I CA 0.339 61.841 61.300 0.337 0.000 1.124 778 I CB 1.822 40.047 38.000 0.375 0.000 1.289 778 I HN 0.746 nan 8.210 nan 0.000 0.441 779 T N 8.259 122.901 114.554 0.146 0.000 2.756 779 T HA 0.500 4.851 4.350 0.001 0.000 0.290 779 T C -0.255 174.489 174.700 0.074 0.000 0.985 779 T CA -0.342 61.810 62.100 0.085 0.000 0.955 779 T CB 0.509 69.421 68.868 0.075 0.000 0.930 779 T HN 0.336 nan 8.240 nan 0.000 0.451 780 L N 4.033 125.288 121.223 0.053 0.000 2.325 780 L HA 0.688 5.028 4.340 0.001 0.000 0.278 780 L C -0.132 176.767 176.870 0.047 0.000 1.023 780 L CA -0.810 54.069 54.840 0.065 0.000 0.811 780 L CB 1.623 43.739 42.059 0.096 0.000 1.249 780 L HN 0.430 nan 8.230 nan 0.000 0.431 781 M N 3.465 123.109 119.600 0.072 0.000 2.326 781 M HA 0.418 4.899 4.480 0.001 0.000 0.292 781 M C -1.148 175.222 176.300 0.117 0.000 1.081 781 M CA -0.490 54.855 55.300 0.075 0.000 0.919 781 M CB 2.816 35.440 32.600 0.040 0.000 1.634 781 M HN 0.611 nan 8.290 nan 0.000 0.451 782 E N 1.838 122.143 120.200 0.175 0.000 2.413 782 E HA 0.798 5.149 4.350 0.001 0.000 0.277 782 E C -1.382 175.293 176.600 0.126 0.000 0.958 782 E CA -1.179 55.301 56.400 0.133 0.000 0.779 782 E CB 1.863 31.632 29.700 0.114 0.000 1.278 782 E HN 0.662 nan 8.360 nan 0.000 0.456 783 A N 1.067 123.930 122.820 0.072 0.000 2.445 783 A HA 0.491 4.812 4.320 0.001 0.000 0.242 783 A C -0.057 177.558 177.584 0.051 0.000 1.075 783 A CA 0.103 52.174 52.037 0.057 0.000 0.777 783 A CB 0.835 19.855 19.000 0.033 0.000 1.013 783 A HN 0.471 nan 8.150 nan 0.000 0.493 784 S N -0.728 115.003 115.700 0.052 0.000 2.638 784 S HA 0.785 5.255 4.470 0.001 0.000 0.274 784 S C -0.090 174.528 174.600 0.029 0.000 1.157 784 S CA 0.694 58.918 58.200 0.040 0.000 0.826 784 S CB 1.249 64.501 63.200 0.085 0.000 1.139 784 S HN 2.760 nan 8.310 nan 0.000 0.474 785 G N 2.533 111.344 108.800 0.018 0.000 2.796 785 G HA2 -0.114 3.847 3.960 0.001 0.000 0.571 785 G HA3 -0.114 3.847 3.960 0.001 0.000 0.571 785 G C -2.238 172.666 174.900 0.008 0.000 1.370 785 G CA -0.239 44.870 45.100 0.015 0.000 0.856 785 G HN 0.588 nan 8.290 nan 0.000 0.538 786 P HA -0.083 nan 4.420 nan 0.000 0.216 786 P C 1.681 178.983 177.300 0.003 0.000 1.157 786 P CA 2.969 66.071 63.100 0.004 0.000 0.880 786 P CB -0.087 31.616 31.700 0.005 0.000 0.791 787 T N -5.771 108.787 114.554 0.006 0.000 3.293 787 T HA 0.265 4.616 4.350 0.001 0.000 0.276 787 T C 0.304 175.009 174.700 0.009 0.000 1.003 787 T CA -0.618 61.486 62.100 0.006 0.000 0.916 787 T CB -1.071 67.800 68.868 0.006 0.000 1.134 787 T HN -0.124 nan 8.240 nan 0.000 0.530 788 N N 1.751 120.457 118.700 0.010 0.000 2.710 788 N HA -0.161 4.579 4.740 0.001 0.000 0.249 788 N C 0.482 176.003 175.510 0.019 0.000 1.059 788 N CA 1.086 54.144 53.050 0.014 0.000 0.720 788 N CB -0.949 37.544 38.487 0.010 0.000 0.983 788 N HN 0.769 nan 8.380 nan 0.000 0.544 789 E N -1.027 119.184 120.200 0.020 0.000 2.447 789 E HA 0.044 4.395 4.350 0.001 0.000 0.204 789 E C -0.394 176.221 176.600 0.025 0.000 0.977 789 E CA -0.134 56.278 56.400 0.020 0.000 0.950 789 E CB 0.431 30.140 29.700 0.015 0.000 0.975 789 E HN 0.306 nan 8.360 nan 0.000 0.496 790 D N 0.622 121.041 120.400 0.032 0.000 2.294 790 D HA 0.178 4.819 4.640 0.001 0.000 0.250 790 D C -0.532 175.802 176.300 0.058 0.000 1.058 790 D CA -0.418 53.607 54.000 0.041 0.000 0.950 790 D CB 1.703 42.530 40.800 0.045 0.000 1.158 790 D HN -0.062 nan 8.370 nan 0.000 0.453 791 L N 2.367 123.625 121.223 0.058 0.000 2.283 791 L HA 0.218 4.558 4.340 0.001 0.000 0.281 791 L C -1.240 175.682 176.870 0.087 0.000 1.033 791 L CA -0.756 54.122 54.840 0.064 0.000 0.848 791 L CB 0.284 42.361 42.059 0.030 0.000 1.226 791 L HN 0.225 nan 8.230 nan 0.000 0.429 792 Y N 5.868 126.174 120.300 0.011 0.000 2.436 792 Y HA 0.435 4.983 4.550 -0.002 0.000 0.336 792 Y C -0.466 175.443 175.900 0.015 0.000 1.049 792 Y CA 0.019 58.126 58.100 0.011 0.000 1.294 792 Y CB 0.614 39.079 38.460 0.009 0.000 1.179 792 Y HN 0.638 nan 8.280 nan 0.000 0.520 793 I N 6.300 126.505 120.570 -0.608 0.000 2.545 793 I HA 0.578 4.749 4.170 0.001 0.000 0.292 793 I C -1.319 174.410 176.117 -0.646 0.000 1.040 793 I CA -0.367 60.658 61.300 -0.458 0.000 1.068 793 I CB 1.493 39.374 38.000 -0.198 0.000 1.251 793 I HN 0.724 nan 8.210 nan 0.000 0.424 794 S N 5.808 121.283 115.700 -0.376 0.000 2.540 794 S HA 0.658 5.129 4.470 0.001 0.000 0.275 794 S C -1.171 173.390 174.600 -0.065 0.000 1.123 794 S CA -0.704 57.371 58.200 -0.209 0.000 0.907 794 S CB 1.381 64.517 63.200 -0.107 0.000 1.081 794 S HN 0.679 nan 8.310 nan 0.000 0.476 795 C N 2.170 121.450 119.300 -0.034 0.000 2.417 795 C HA 0.854 5.315 4.460 0.001 0.000 0.324 795 C C 0.042 175.043 174.990 0.017 0.000 1.240 795 C CA -0.393 58.632 59.018 0.011 0.000 1.632 795 C CB 1.127 28.874 27.740 0.011 0.000 2.241 795 C HN 0.954 nan 8.230 nan 0.000 0.499 796 T N 4.406 118.985 114.554 0.041 0.000 2.815 796 T HA 0.485 4.836 4.350 0.001 0.000 0.289 796 T C -0.436 174.286 174.700 0.035 0.000 1.000 796 T CA -0.180 61.927 62.100 0.011 0.000 0.958 796 T CB 0.649 69.502 68.868 -0.025 0.000 0.944 796 T HN 0.560 nan 8.240 nan 0.000 0.442 797 M N 5.134 124.744 119.600 0.017 0.000 2.016 797 M HA 0.269 4.749 4.480 0.001 0.000 0.315 797 M C -1.895 174.408 176.300 0.005 0.000 0.930 797 M CA -2.185 53.147 55.300 0.053 0.000 0.899 797 M CB 2.233 34.861 32.600 0.047 0.000 1.401 797 M HN 0.235 nan 8.290 nan 0.000 0.386 798 P HA -0.021 nan 4.420 nan 0.000 0.233 798 P C 0.106 177.397 177.300 -0.016 0.000 1.167 798 P CA 0.804 63.850 63.100 -0.090 0.000 0.770 798 P CB 0.180 31.727 31.700 -0.254 0.000 0.837 799 S N -0.938 114.789 115.700 0.045 0.000 2.407 799 S HA 0.375 4.846 4.470 0.001 0.000 0.166 799 S C -0.211 174.430 174.600 0.068 0.000 1.445 799 S CA -0.664 57.568 58.200 0.053 0.000 1.260 799 S CB -1.008 62.235 63.200 0.071 0.000 1.401 799 S HN -0.085 nan 8.310 nan 0.000 0.379 800 I N 2.347 122.955 120.570 0.064 0.000 2.308 800 I HA 0.210 4.381 4.170 0.001 0.000 0.293 800 I C 0.008 176.192 176.117 0.112 0.000 1.078 800 I CA -0.093 61.267 61.300 0.100 0.000 1.292 800 I CB 0.532 38.582 38.000 0.084 0.000 1.423 800 I HN 0.458 nan 8.210 nan 0.000 0.493 801 E N 7.528 127.825 120.200 0.161 0.000 2.081 801 E HA 0.641 4.992 4.350 0.001 0.000 0.281 801 E C -0.690 175.957 176.600 0.078 0.000 0.986 801 E CA -0.214 56.255 56.400 0.115 0.000 0.796 801 E CB 1.927 31.698 29.700 0.119 0.000 1.085 801 E HN 0.468 nan 8.360 nan 0.000 0.398 802 I N 1.798 122.358 120.570 -0.017 0.000 2.785 802 I HA 0.557 4.728 4.170 0.001 0.000 0.293 802 I C -0.975 175.077 176.117 -0.108 0.000 1.446 802 I CA -0.365 60.859 61.300 -0.127 0.000 1.028 802 I CB 1.945 39.892 38.000 -0.088 0.000 1.349 802 I HN 0.612 nan 8.210 nan 0.000 0.438 803 G N 1.607 110.321 108.800 -0.144 0.000 2.690 803 G HA2 0.490 4.451 3.960 0.001 0.000 0.291 803 G HA3 0.490 4.451 3.960 0.001 0.000 0.291 803 G C -0.159 174.674 174.900 -0.112 0.000 1.403 803 G CA 0.180 45.216 45.100 -0.108 0.000 0.864 803 G HN 0.577 nan 8.290 nan 0.000 0.480 804 T N -2.742 111.759 114.554 -0.090 0.000 3.044 804 T HA 0.414 4.765 4.350 0.001 0.000 0.260 804 T C 0.205 174.870 174.700 -0.058 0.000 1.019 804 T CA 0.045 62.099 62.100 -0.075 0.000 0.921 804 T CB 0.340 69.168 68.868 -0.067 0.000 1.053 804 T HN 0.445 nan 8.240 nan 0.000 0.533 805 V N 0.937 120.818 119.914 -0.055 0.000 2.735 805 V HA 0.827 4.948 4.120 0.001 0.000 0.310 805 V C 0.619 176.696 176.094 -0.028 0.000 1.061 805 V CA 0.000 62.280 62.300 -0.034 0.000 0.913 805 V CB 0.898 32.706 31.823 -0.025 0.000 1.005 805 V HN 0.873 nan 8.190 nan 0.000 0.428 806 G N 2.354 111.145 108.800 -0.016 0.000 2.690 806 G HA2 0.455 4.416 3.960 0.001 0.000 0.686 806 G HA3 0.455 4.416 3.960 0.001 0.000 0.686 806 G C 0.416 175.307 174.900 -0.016 0.000 1.277 806 G CA -0.209 44.885 45.100 -0.010 0.000 0.799 806 G HN 2.333 nan 8.290 nan 0.000 0.613 807 G N -0.058 108.738 108.800 -0.006 0.000 2.574 807 G HA2 0.162 4.123 3.960 0.001 0.000 0.286 807 G HA3 0.162 4.123 3.960 0.001 0.000 0.286 807 G C 2.003 176.901 174.900 -0.003 0.000 1.212 807 G CA 1.956 47.054 45.100 -0.004 0.000 0.979 807 G HN 2.520 nan 8.290 nan 0.000 0.557 808 G N -0.523 108.272 108.800 -0.007 0.000 2.470 808 G HA2 0.114 4.074 3.960 0.001 0.000 0.220 808 G HA3 0.114 4.074 3.960 0.001 0.000 0.220 808 G C 1.896 176.788 174.900 -0.014 0.000 1.121 808 G CA 2.475 47.573 45.100 -0.002 0.000 0.766 808 G HN 1.993 nan 8.290 nan 0.000 0.553 809 T N -1.599 112.937 114.554 -0.029 0.000 3.118 809 T HA 0.004 4.355 4.350 0.001 0.000 0.260 809 T C 1.892 176.577 174.700 -0.025 0.000 1.139 809 T CA 0.811 62.891 62.100 -0.033 0.000 1.085 809 T CB -0.199 68.641 68.868 -0.047 0.000 0.934 809 T HN 0.126 nan 8.240 nan 0.000 0.518 810 N N 1.152 119.842 118.700 -0.018 0.000 2.396 810 N HA 0.152 4.892 4.740 0.001 0.000 0.180 810 N C 0.512 176.005 175.510 -0.028 0.000 1.028 810 N CA 0.340 53.379 53.050 -0.017 0.000 0.893 810 N CB -0.222 38.260 38.487 -0.008 0.000 0.967 810 N HN 0.508 nan 8.380 nan 0.000 0.440 811 L N 0.935 122.143 121.223 -0.026 0.000 2.395 811 L HA 0.211 4.551 4.340 0.001 0.000 0.269 811 L C 1.687 178.525 176.870 -0.052 0.000 1.133 811 L CA -0.401 54.412 54.840 -0.045 0.000 0.812 811 L CB 1.071 43.128 42.059 -0.004 0.000 1.125 811 L HN -0.091 nan 8.230 nan 0.000 0.452 812 L N 1.771 122.942 121.223 -0.087 0.000 2.095 812 L HA -0.029 4.311 4.340 0.001 0.000 0.204 812 L C -0.456 176.382 176.870 -0.052 0.000 1.080 812 L CA 0.842 55.637 54.840 -0.074 0.000 0.759 812 L CB -1.415 40.583 42.059 -0.101 0.000 0.914 812 L HN 0.559 nan 8.230 nan 0.000 0.439 813 P HA -0.175 nan 4.420 nan 0.000 0.215 813 P C 1.405 178.697 177.300 -0.012 0.000 1.153 813 P CA 1.174 64.260 63.100 -0.023 0.000 0.853 813 P CB 0.083 31.778 31.700 -0.007 0.000 0.788 814 Q N -0.744 119.050 119.800 -0.010 0.000 2.167 814 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 814 Q C 2.249 178.238 176.000 -0.018 0.000 0.970 814 Q CA 1.351 57.148 55.803 -0.010 0.000 0.855 814 Q CB -0.619 28.113 28.738 -0.009 0.000 0.911 814 Q HN 0.405 nan 8.270 nan 0.000 0.438 815 Q N -0.777 119.010 119.800 -0.022 0.000 2.172 815 Q HA 0.005 4.346 4.340 0.001 0.000 0.200 815 Q C 1.997 177.988 176.000 -0.015 0.000 0.964 815 Q CA 0.896 56.686 55.803 -0.021 0.000 0.855 815 Q CB -0.076 28.647 28.738 -0.025 0.000 0.918 815 Q HN 0.417 nan 8.270 nan 0.000 0.444 816 A N 0.379 123.191 122.820 -0.015 0.000 1.877 816 A HA -0.212 4.108 4.320 0.001 0.000 0.216 816 A C 2.281 179.866 177.584 0.000 0.000 1.186 816 A CA 1.387 53.419 52.037 -0.008 0.000 0.620 816 A CB -0.963 18.031 19.000 -0.010 0.000 0.822 816 A HN 0.482 nan 8.150 nan 0.000 0.443 817 C N -0.884 118.416 119.300 0.000 0.000 2.440 817 C HA 0.002 4.463 4.460 0.001 0.000 0.278 817 C C 2.627 177.621 174.990 0.006 0.000 1.295 817 C CA 0.904 59.926 59.018 0.006 0.000 1.738 817 C CB -1.500 26.243 27.740 0.005 0.000 1.987 817 C HN 0.620 nan 8.230 nan 0.000 0.492 818 L N 0.180 121.400 121.223 -0.005 0.000 2.131 818 L HA -0.207 4.134 4.340 0.001 0.000 0.210 818 L C 2.720 179.595 176.870 0.009 0.000 1.092 818 L CA 1.445 56.280 54.840 -0.008 0.000 0.759 818 L CB -0.645 41.401 42.059 -0.022 0.000 0.903 818 L HN 0.454 nan 8.230 nan 0.000 0.435 819 Q N -0.731 119.075 119.800 0.010 0.000 2.172 819 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 819 Q C 2.344 178.364 176.000 0.033 0.000 0.964 819 Q CA 1.195 57.008 55.803 0.018 0.000 0.855 819 Q CB -0.061 28.681 28.738 0.008 0.000 0.918 819 Q HN 0.503 nan 8.270 nan 0.000 0.444 820 M N 0.137 119.758 119.600 0.035 0.000 2.106 820 M HA -0.219 4.261 4.480 0.001 0.000 0.259 820 M C 1.708 178.066 176.300 0.096 0.000 1.068 820 M CA 1.504 56.835 55.300 0.052 0.000 1.100 820 M CB -0.156 32.473 32.600 0.048 0.000 1.351 820 M HN 0.211 nan 8.290 nan 0.000 0.404 821 L N -1.012 120.275 121.223 0.108 0.000 2.554 821 L HA 0.148 4.489 4.340 0.001 0.000 0.226 821 L C 1.319 178.319 176.870 0.217 0.000 1.137 821 L CA 0.258 55.215 54.840 0.193 0.000 0.863 821 L CB -0.489 41.609 42.059 0.065 0.000 0.985 821 L HN 0.622 nan 8.230 nan 0.000 0.451 822 G N 0.714 109.587 108.800 0.121 0.000 2.147 822 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 822 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 822 G C 0.594 175.538 174.900 0.073 0.000 1.005 822 G CA 0.398 45.556 45.100 0.098 0.000 0.713 822 G HN 0.372 nan 8.290 nan 0.000 0.515 823 V N -3.331 116.609 119.914 0.043 0.000 3.252 823 V HA 0.486 4.607 4.120 0.001 0.000 0.320 823 V C 0.679 176.767 176.094 -0.010 0.000 1.459 823 V CA 0.390 62.696 62.300 0.009 0.000 1.095 823 V CB 0.849 32.662 31.823 -0.018 0.000 0.997 823 V HN 0.392 nan 8.190 nan 0.000 0.469 824 Q N 2.069 121.867 119.800 -0.004 0.000 2.311 824 Q HA 0.450 4.791 4.340 0.001 0.000 0.272 824 Q C 0.786 176.777 176.000 -0.015 0.000 1.012 824 Q CA 1.862 57.657 55.803 -0.013 0.000 0.891 824 Q CB 0.886 29.619 28.738 -0.007 0.000 1.201 824 Q HN 1.154 nan 8.270 nan 0.000 0.391 825 G N 2.606 111.393 108.800 -0.023 0.000 2.698 825 G HA2 -0.185 3.775 3.960 0.001 0.000 0.233 825 G HA3 -0.185 3.775 3.960 0.001 0.000 0.233 825 G C -0.570 174.314 174.900 -0.028 0.000 1.352 825 G CA -0.291 44.797 45.100 -0.020 0.000 0.879 825 G HN 1.017 nan 8.290 nan 0.000 0.567 826 A N -1.219 121.589 122.820 -0.020 0.000 2.386 826 A HA 0.530 4.850 4.320 0.001 0.000 0.248 826 A C 0.846 178.419 177.584 -0.019 0.000 1.082 826 A CA 0.808 52.826 52.037 -0.031 0.000 0.789 826 A CB 0.681 19.681 19.000 0.000 0.000 1.025 826 A HN 2.339 nan 8.150 nan 0.000 0.490 827 C N 3.398 122.678 119.300 -0.033 0.000 2.255 827 C HA 0.457 4.918 4.460 0.001 0.000 0.326 827 C C 1.532 176.527 174.990 0.010 0.000 1.258 827 C CA -0.788 58.223 59.018 -0.011 0.000 1.676 827 C CB -0.944 26.785 27.740 -0.019 0.000 2.314 827 C HN 0.997 nan 8.230 nan 0.000 0.509 828 K N 2.759 123.175 120.400 0.027 0.000 2.026 828 K HA -0.096 4.225 4.320 0.001 0.000 0.208 828 K C 0.896 177.524 176.600 0.047 0.000 1.048 828 K CA 1.865 58.180 56.287 0.046 0.000 0.929 828 K CB -0.070 32.453 32.500 0.038 0.000 0.713 828 K HN 0.594 nan 8.250 nan 0.000 0.439 829 D N 0.267 120.687 120.400 0.033 0.000 2.277 829 D HA -0.060 4.581 4.640 0.001 0.000 0.208 829 D C 0.105 176.424 176.300 0.033 0.000 0.962 829 D CA 0.871 54.889 54.000 0.032 0.000 0.865 829 D CB -0.050 40.764 40.800 0.024 0.000 0.939 829 D HN 0.164 nan 8.370 nan 0.000 0.510 830 N N 0.081 118.796 118.700 0.025 0.000 2.732 830 N HA 0.155 4.896 4.740 0.001 0.000 0.235 830 N C -2.942 172.565 175.510 -0.005 0.000 1.466 830 N CA -1.486 51.575 53.050 0.017 0.000 0.751 830 N CB 0.974 39.468 38.487 0.012 0.000 1.317 830 N HN -0.271 nan 8.380 nan 0.000 0.525 831 P HA 0.155 nan 4.420 nan 0.000 0.260 831 P C 0.847 178.059 177.300 -0.147 0.000 1.172 831 P CA 1.122 64.165 63.100 -0.094 0.000 0.760 831 P CB 0.387 32.087 31.700 -0.000 0.000 0.773 832 G N 3.025 111.706 108.800 -0.199 0.000 2.176 832 G HA2 -0.264 3.697 3.960 0.001 0.000 0.232 832 G HA3 -0.264 3.697 3.960 0.001 0.000 0.232 832 G C 1.022 175.870 174.900 -0.087 0.000 0.986 832 G CA 0.406 45.414 45.100 -0.154 0.000 0.643 832 G HN 0.530 nan 8.290 nan 0.000 0.522 833 E N 0.992 121.154 120.200 -0.064 0.000 2.158 833 E HA 0.052 4.403 4.350 0.001 0.000 0.191 833 E C 2.179 178.760 176.600 -0.032 0.000 0.982 833 E CA 1.567 57.947 56.400 -0.034 0.000 0.823 833 E CB -0.266 29.425 29.700 -0.014 0.000 0.766 833 E HN 0.424 nan 8.360 nan 0.000 0.468 834 N N 0.392 119.067 118.700 -0.043 0.000 2.142 834 N HA -0.060 4.680 4.740 0.001 0.000 0.186 834 N C 1.518 176.994 175.510 -0.058 0.000 1.023 834 N CA 1.552 54.578 53.050 -0.040 0.000 0.852 834 N CB -0.545 37.918 38.487 -0.040 0.000 0.998 834 N HN 0.293 nan 8.380 nan 0.000 0.424 835 A N 0.982 123.759 122.820 -0.072 0.000 1.969 835 A HA -0.043 4.277 4.320 0.001 0.000 0.218 835 A C 2.241 179.787 177.584 -0.062 0.000 1.169 835 A CA 0.958 52.950 52.037 -0.075 0.000 0.635 835 A CB -0.293 18.656 19.000 -0.085 0.000 0.810 835 A HN 0.173 nan 8.150 nan 0.000 0.445 836 R N -1.216 119.253 120.500 -0.053 0.000 2.075 836 R HA -0.144 4.197 4.340 0.001 0.000 0.232 836 R C 2.486 178.757 176.300 -0.048 0.000 1.126 836 R CA 1.600 57.675 56.100 -0.040 0.000 0.963 836 R CB -0.191 30.092 30.300 -0.029 0.000 0.858 836 R HN 0.599 nan 8.270 nan 0.000 0.435 837 Q N 0.823 120.591 119.800 -0.053 0.000 2.079 837 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 837 Q C 1.851 177.760 176.000 -0.151 0.000 0.974 837 Q CA 1.318 57.075 55.803 -0.077 0.000 0.840 837 Q CB -0.262 28.454 28.738 -0.036 0.000 0.898 837 Q HN 0.203 nan 8.270 nan 0.000 0.430 838 L N 0.132 121.279 121.223 -0.126 0.000 2.046 838 L HA 0.001 4.342 4.340 0.001 0.000 0.208 838 L C 2.069 178.876 176.870 -0.104 0.000 1.077 838 L CA 2.173 56.930 54.840 -0.139 0.000 0.747 838 L CB -1.146 40.849 42.059 -0.105 0.000 0.896 838 L HN 0.255 nan 8.230 nan 0.000 0.432 839 A N -0.512 122.268 122.820 -0.067 0.000 1.902 839 A HA -0.229 4.092 4.320 0.001 0.000 0.217 839 A C 2.426 179.982 177.584 -0.046 0.000 1.181 839 A CA 1.829 53.848 52.037 -0.030 0.000 0.623 839 A CB -0.519 18.471 19.000 -0.017 0.000 0.818 839 A HN 0.495 nan 8.150 nan 0.000 0.443 840 R N -0.709 119.747 120.500 -0.074 0.000 2.092 840 R HA 0.008 4.349 4.340 0.001 0.000 0.231 840 R C 1.960 178.187 176.300 -0.121 0.000 1.119 840 R CA 1.455 57.509 56.100 -0.077 0.000 0.970 840 R CB -0.432 29.828 30.300 -0.067 0.000 0.864 840 R HN 0.574 nan 8.270 nan 0.000 0.440 841 I N 0.029 120.469 120.570 -0.217 0.000 2.226 841 I HA -0.273 3.898 4.170 0.001 0.000 0.245 841 I C 2.190 178.227 176.117 -0.134 0.000 1.100 841 I CA 1.112 62.244 61.300 -0.280 0.000 1.374 841 I CB -0.226 37.504 38.000 -0.451 0.000 1.057 841 I HN -0.023 nan 8.210 nan 0.000 0.413 842 V N 0.060 119.926 119.914 -0.080 0.000 2.255 842 V HA -0.392 3.729 4.120 0.001 0.000 0.247 842 V C 2.594 178.669 176.094 -0.031 0.000 1.051 842 V CA 2.198 64.485 62.300 -0.023 0.000 1.018 842 V CB -0.603 31.249 31.823 0.049 0.000 0.641 842 V HN 0.657 nan 8.190 nan 0.000 0.445 843 C N 0.716 119.999 119.300 -0.028 0.000 2.425 843 C HA -0.070 4.391 4.460 0.001 0.000 0.277 843 C C 2.923 177.898 174.990 -0.025 0.000 1.280 843 C CA 0.928 59.934 59.018 -0.022 0.000 1.744 843 C CB -1.582 26.149 27.740 -0.016 0.000 1.989 843 C HN 0.673 nan 8.230 nan 0.000 0.491 844 G N -0.607 108.173 108.800 -0.033 0.000 2.402 844 G HA2 -0.138 3.823 3.960 0.001 0.000 0.216 844 G HA3 -0.138 3.823 3.960 0.001 0.000 0.216 844 G C 1.771 176.661 174.900 -0.015 0.000 1.162 844 G CA 1.546 46.634 45.100 -0.020 0.000 0.777 844 G HN 0.542 nan 8.290 nan 0.000 0.539 845 T N 0.802 115.340 114.554 -0.027 0.000 2.857 845 T HA -0.048 4.302 4.350 0.001 0.000 0.266 845 T C 2.505 177.186 174.700 -0.032 0.000 1.048 845 T CA 0.909 62.996 62.100 -0.022 0.000 1.139 845 T CB -0.127 68.724 68.868 -0.030 0.000 0.874 845 T HN 0.046 nan 8.240 nan 0.000 0.455 846 V N 1.715 121.602 119.914 -0.044 0.000 2.343 846 V HA -0.197 3.924 4.120 0.001 0.000 0.247 846 V C 2.456 178.538 176.094 -0.019 0.000 1.051 846 V CA 1.777 64.043 62.300 -0.056 0.000 1.036 846 V CB -0.555 31.238 31.823 -0.050 0.000 0.654 846 V HN 0.479 nan 8.190 nan 0.000 0.451 847 M N -0.293 119.300 119.600 -0.011 0.000 2.117 847 M HA -0.179 4.302 4.480 0.001 0.000 0.262 847 M C 2.176 178.481 176.300 0.008 0.000 1.065 847 M CA 2.177 57.474 55.300 -0.005 0.000 1.114 847 M CB -0.294 32.292 32.600 -0.023 0.000 1.361 847 M HN 0.363 nan 8.290 nan 0.000 0.408 848 A N 0.110 122.936 122.820 0.010 0.000 1.883 848 A HA -0.107 4.214 4.320 0.001 0.000 0.217 848 A C 2.265 179.880 177.584 0.052 0.000 1.186 848 A CA 1.970 54.021 52.037 0.024 0.000 0.624 848 A CB -1.731 17.282 19.000 0.023 0.000 0.822 848 A HN 0.633 nan 8.150 nan 0.000 0.444 849 G N -0.608 108.229 108.800 0.061 0.000 2.418 849 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 849 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 849 G C 1.397 176.475 174.900 0.296 0.000 1.158 849 G CA 1.003 46.207 45.100 0.174 0.000 0.771 849 G HN 0.497 nan 8.290 nan 0.000 0.545 850 E N 0.292 120.592 120.200 0.167 0.000 2.110 850 E HA -0.024 4.327 4.350 0.001 0.000 0.193 850 E C 2.633 179.267 176.600 0.058 0.000 0.988 850 E CA 0.300 56.776 56.400 0.126 0.000 0.804 850 E CB -0.333 29.413 29.700 0.076 0.000 0.745 850 E HN 0.413 nan 8.360 nan 0.000 0.458 851 L N 0.556 121.804 121.223 0.041 0.000 1.994 851 L HA -0.195 4.146 4.340 0.001 0.000 0.208 851 L C 2.719 179.597 176.870 0.013 0.000 1.071 851 L CA 1.405 56.255 54.840 0.016 0.000 0.745 851 L CB -0.361 41.703 42.059 0.009 0.000 0.892 851 L HN 0.131 nan 8.230 nan 0.000 0.431 852 S N -0.264 115.452 115.700 0.026 0.000 2.355 852 S HA -0.193 4.278 4.470 0.001 0.000 0.222 852 S C 1.895 176.482 174.600 -0.021 0.000 1.031 852 S CA 1.384 59.592 58.200 0.013 0.000 0.993 852 S CB -0.245 62.974 63.200 0.031 0.000 0.859 852 S HN 0.292 nan 8.310 nan 0.000 0.453 853 L N 1.499 122.690 121.223 -0.054 0.000 2.056 853 L HA 0.111 4.451 4.340 0.001 0.000 0.207 853 L C 2.225 179.032 176.870 -0.105 0.000 1.078 853 L CA 1.821 56.565 54.840 -0.160 0.000 0.749 853 L CB -0.677 41.105 42.059 -0.460 0.000 0.901 853 L HN 0.304 nan 8.230 nan 0.000 0.433 854 M N -0.784 118.778 119.600 -0.062 0.000 2.296 854 M HA -0.056 4.425 4.480 0.001 0.000 0.265 854 M C 2.291 178.575 176.300 -0.027 0.000 1.064 854 M CA 1.434 56.712 55.300 -0.037 0.000 1.109 854 M CB -1.458 31.135 32.600 -0.012 0.000 1.396 854 M HN 0.458 nan 8.290 nan 0.000 0.430 855 A N -0.002 122.805 122.820 -0.023 0.000 1.930 855 A HA 0.134 4.455 4.320 0.001 0.000 0.215 855 A C 2.410 179.981 177.584 -0.021 0.000 1.176 855 A CA 1.579 53.606 52.037 -0.016 0.000 0.632 855 A CB -0.708 18.287 19.000 -0.009 0.000 0.819 855 A HN 0.434 nan 8.150 nan 0.000 0.445 856 A N -0.114 122.687 122.820 -0.032 0.000 1.933 856 A HA -0.017 4.304 4.320 0.001 0.000 0.218 856 A C 2.125 179.689 177.584 -0.034 0.000 1.175 856 A CA 1.458 53.475 52.037 -0.033 0.000 0.628 856 A CB -0.567 18.406 19.000 -0.045 0.000 0.814 856 A HN 0.460 nan 8.150 nan 0.000 0.444 857 L N -0.966 120.232 121.223 -0.042 0.000 2.109 857 L HA -0.117 4.224 4.340 0.001 0.000 0.207 857 L C 3.000 179.855 176.870 -0.024 0.000 1.086 857 L CA 0.894 55.712 54.840 -0.037 0.000 0.760 857 L CB -0.443 41.589 42.059 -0.045 0.000 0.910 857 L HN 0.416 nan 8.230 nan 0.000 0.437 858 A N -0.112 122.696 122.820 -0.019 0.000 1.969 858 A HA -0.028 4.293 4.320 0.001 0.000 0.218 858 A C 2.427 180.006 177.584 -0.010 0.000 1.169 858 A CA 1.522 53.552 52.037 -0.012 0.000 0.635 858 A CB -0.435 18.561 19.000 -0.007 0.000 0.810 858 A HN 0.377 nan 8.150 nan 0.000 0.445 859 A N -1.325 121.489 122.820 -0.011 0.000 2.030 859 A HA 0.461 4.782 4.320 0.001 0.000 0.215 859 A C 1.637 179.215 177.584 -0.010 0.000 1.164 859 A CA 1.324 53.355 52.037 -0.009 0.000 0.697 859 A CB -1.018 17.977 19.000 -0.009 0.000 0.827 859 A HN 2.051 nan 8.150 nan 0.000 0.457 860 G N 0.000 108.792 108.800 -0.013 0.000 5.446 860 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 860 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 860 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 860 G HN 0.000 nan 8.290 nan 0.000 0.925