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 1dv6_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.883 175.900 -0.029 0.000 1.272 3 Y CA 0.000 58.092 58.100 -0.013 0.000 1.940 3 Y CB 0.000 38.452 38.460 -0.013 0.000 1.050 4 Q N 2.904 122.379 119.800 -0.542 0.000 2.319 4 Q HA 0.118 4.458 4.340 0.001 0.000 0.209 4 Q C 0.398 175.999 176.000 -0.664 0.000 0.884 4 Q CA 0.599 56.118 55.803 -0.475 0.000 0.938 4 Q CB 0.212 28.791 28.738 -0.265 0.000 1.098 4 Q HN 0.752 nan 8.270 nan 0.000 0.517 5 N N 0.407 118.329 118.700 -1.296 0.000 2.754 5 N HA -0.167 4.573 4.740 0.001 0.000 0.248 5 N C 0.236 175.505 175.510 -0.402 0.000 1.093 5 N CA 0.269 52.820 53.050 -0.831 0.000 0.699 5 N CB -0.871 37.340 38.487 -0.460 0.000 1.016 5 N HN 0.178 nan 8.380 nan 0.000 0.552 6 I N -1.389 118.954 120.570 -0.378 0.000 2.494 6 I HA 0.112 4.282 4.170 0.001 0.000 0.250 6 I C 0.541 176.397 176.117 -0.436 0.000 1.112 6 I CA 1.054 62.098 61.300 -0.427 0.000 1.438 6 I CB -0.483 37.221 38.000 -0.493 0.000 1.111 6 I HN 0.043 nan 8.210 nan 0.000 0.431 7 F N 0.387 120.403 119.950 0.110 0.000 2.540 7 F HA 0.397 4.925 4.527 0.001 0.000 0.317 7 F C 0.822 176.819 175.800 0.328 0.000 1.104 7 F CA -1.066 57.081 58.000 0.245 0.000 0.913 7 F CB 1.286 40.415 39.000 0.216 0.000 1.170 7 F HN -0.311 nan 8.300 nan 0.000 0.450 8 S N 1.750 117.795 115.700 0.575 0.000 2.579 8 S HA 0.064 4.534 4.470 0.001 0.000 0.275 8 S C 0.977 175.879 174.600 0.503 0.000 1.345 8 S CA -0.392 58.095 58.200 0.478 0.000 1.031 8 S CB 1.005 64.406 63.200 0.335 0.000 0.892 8 S HN 0.723 nan 8.310 nan 0.000 0.529 9 Q N 0.218 120.186 119.800 0.279 0.000 2.165 9 Q HA 0.190 4.531 4.340 0.001 0.000 0.197 9 Q C 0.125 176.266 176.000 0.235 0.000 0.952 9 Q CA 0.578 56.478 55.803 0.161 0.000 0.848 9 Q CB 0.377 29.030 28.738 -0.141 0.000 0.931 9 Q HN 0.451 nan 8.270 nan 0.000 0.470 10 V N 1.051 121.056 119.914 0.151 0.000 2.577 10 V HA 0.257 4.377 4.120 0.001 0.000 0.303 10 V C -1.487 174.616 176.094 0.015 0.000 1.042 10 V CA -0.615 61.742 62.300 0.095 0.000 0.872 10 V CB 1.883 33.723 31.823 0.029 0.000 0.998 10 V HN 0.132 nan 8.190 nan 0.000 0.423 11 Q N 3.342 123.085 119.800 -0.095 0.000 2.230 11 Q HA 0.679 5.019 4.340 0.001 0.000 0.248 11 Q C -1.172 174.758 176.000 -0.116 0.000 0.915 11 Q CA -0.392 55.301 55.803 -0.182 0.000 0.900 11 Q CB 2.394 30.885 28.738 -0.412 0.000 1.229 11 Q HN 0.617 nan 8.270 nan 0.000 0.439 12 V N 2.375 122.233 119.914 -0.093 0.000 2.876 12 V HA 0.604 4.724 4.120 0.001 0.000 0.312 12 V C -1.089 174.957 176.094 -0.080 0.000 1.085 12 V CA -0.538 61.718 62.300 -0.074 0.000 0.945 12 V CB 2.275 34.071 31.823 -0.046 0.000 1.017 12 V HN 0.724 nan 8.190 nan 0.000 0.428 13 R N 2.331 122.771 120.500 -0.100 0.000 2.774 13 R HA 0.807 5.147 4.340 0.001 0.000 0.272 13 R C -0.591 175.630 176.300 -0.133 0.000 1.000 13 R CA 0.056 56.077 56.100 -0.131 0.000 0.906 13 R CB 2.384 32.540 30.300 -0.240 0.000 1.227 13 R HN 0.949 nan 8.270 nan 0.000 0.468 14 G N 1.646 110.368 108.800 -0.131 0.000 2.749 14 G HA2 0.498 4.459 3.960 0.001 0.000 0.300 14 G HA3 0.498 4.459 3.960 0.001 0.000 0.300 14 G C -2.749 172.093 174.900 -0.095 0.000 1.352 14 G CA -0.904 44.136 45.100 -0.100 0.000 0.789 14 G HN 0.407 nan 8.290 nan 0.000 0.509 15 P HA 0.381 nan 4.420 nan 0.000 0.263 15 P C 0.286 177.632 177.300 0.078 0.000 1.175 15 P CA 0.223 63.320 63.100 -0.004 0.000 0.761 15 P CB 0.551 32.252 31.700 0.001 0.000 0.794 16 A N 2.593 125.505 122.820 0.153 0.000 2.531 16 A HA 0.041 4.361 4.320 0.001 0.000 0.236 16 A C 0.434 178.091 177.584 0.122 0.000 1.062 16 A CA 0.218 52.410 52.037 0.258 0.000 0.760 16 A CB -0.134 19.013 19.000 0.245 0.000 0.995 16 A HN 0.552 nan 8.150 nan 0.000 0.501 17 D N 2.099 122.557 120.400 0.096 0.000 2.317 17 D HA 0.373 5.014 4.640 0.001 0.000 0.234 17 D C 0.662 176.973 176.300 0.018 0.000 1.112 17 D CA -0.220 53.806 54.000 0.043 0.000 0.840 17 D CB 0.987 41.807 40.800 0.032 0.000 1.078 17 D HN 0.455 nan 8.370 nan 0.000 0.486 18 L N 2.815 124.046 121.223 0.013 0.000 2.558 18 L HA 0.253 4.594 4.340 0.001 0.000 0.225 18 L C 1.379 178.248 176.870 -0.001 0.000 1.128 18 L CA 0.202 55.044 54.840 0.005 0.000 0.868 18 L CB -0.444 41.620 42.059 0.008 0.000 1.006 18 L HN 0.616 nan 8.230 nan 0.000 0.454 19 G N 0.242 109.039 108.800 -0.005 0.000 2.730 19 G HA2 -0.172 3.788 3.960 0.001 0.000 0.686 19 G HA3 -0.172 3.788 3.960 0.001 0.000 0.686 19 G C -0.342 174.549 174.900 -0.016 0.000 1.343 19 G CA -1.009 44.083 45.100 -0.013 0.000 0.826 19 G HN -0.137 nan 8.290 nan 0.000 0.582 20 M N 0.480 120.064 119.600 -0.026 0.000 2.252 20 M HA 0.198 4.678 4.480 0.001 0.000 0.329 20 M C 1.732 178.014 176.300 -0.029 0.000 1.101 20 M CA 0.879 56.161 55.300 -0.030 0.000 1.117 20 M CB -0.128 32.447 32.600 -0.042 0.000 1.563 20 M HN 0.699 nan 8.290 nan 0.000 0.445 21 T N 0.093 114.632 114.554 -0.025 0.000 2.980 21 T HA 0.037 4.388 4.350 0.001 0.000 0.239 21 T C 0.868 175.549 174.700 -0.032 0.000 1.011 21 T CA 0.449 62.537 62.100 -0.021 0.000 1.171 21 T CB 0.127 68.987 68.868 -0.013 0.000 0.873 21 T HN 0.710 nan 8.240 nan 0.000 0.431 22 E N 0.832 121.011 120.200 -0.035 0.000 3.401 22 E HA -0.204 4.146 4.350 0.001 0.000 0.352 22 E C -0.209 176.368 176.600 -0.039 0.000 1.523 22 E CA 1.719 58.093 56.400 -0.043 0.000 1.794 22 E CB -0.992 28.670 29.700 -0.062 0.000 1.792 22 E HN 0.325 nan 8.360 nan 0.000 0.471 23 D N -0.046 120.323 120.400 -0.052 0.000 2.395 23 D HA 0.141 4.781 4.640 0.001 0.000 0.226 23 D C -0.144 176.128 176.300 -0.046 0.000 1.146 23 D CA 0.479 54.452 54.000 -0.045 0.000 0.830 23 D CB -0.187 40.583 40.800 -0.050 0.000 0.958 23 D HN 0.209 nan 8.370 nan 0.000 0.501 24 V N 0.420 120.307 119.914 -0.045 0.000 2.607 24 V HA 0.269 4.389 4.120 0.001 0.000 0.289 24 V C 0.363 176.492 176.094 0.058 0.000 1.053 24 V CA -0.836 61.448 62.300 -0.027 0.000 0.996 24 V CB 1.746 33.523 31.823 -0.076 0.000 0.995 24 V HN -0.093 nan 8.190 nan 0.000 0.476 25 N N 4.726 123.510 118.700 0.139 0.000 2.498 25 N HA 0.027 4.767 4.740 0.001 0.000 0.277 25 N C 0.767 176.357 175.510 0.133 0.000 1.208 25 N CA -0.083 53.046 53.050 0.132 0.000 1.029 25 N CB 0.206 38.781 38.487 0.147 0.000 1.403 25 N HN 0.744 nan 8.380 nan 0.000 0.500 26 L N 2.732 123.998 121.223 0.072 0.000 2.270 26 L HA -0.185 4.156 4.340 0.001 0.000 0.217 26 L C 2.240 179.107 176.870 -0.005 0.000 1.107 26 L CA 1.400 56.265 54.840 0.042 0.000 0.772 26 L CB -1.146 40.925 42.059 0.019 0.000 0.902 26 L HN 0.595 nan 8.230 nan 0.000 0.439 27 A N -0.997 121.810 122.820 -0.022 0.000 2.067 27 A HA -0.115 4.206 4.320 0.001 0.000 0.219 27 A C 1.902 179.411 177.584 -0.125 0.000 1.158 27 A CA 1.203 53.205 52.037 -0.058 0.000 0.661 27 A CB -0.387 18.586 19.000 -0.045 0.000 0.801 27 A HN 0.484 nan 8.150 nan 0.000 0.452 28 N N -0.638 117.934 118.700 -0.213 0.000 2.336 28 N HA 0.044 4.785 4.740 0.001 0.000 0.189 28 N C 0.337 175.533 175.510 -0.522 0.000 1.113 28 N CA 0.146 52.920 53.050 -0.461 0.000 0.858 28 N CB 0.075 38.064 38.487 -0.830 0.000 0.970 28 N HN 0.376 nan 8.380 nan 0.000 0.471 29 R N 1.287 121.639 120.500 -0.247 0.000 2.265 29 R HA 0.143 4.483 4.340 0.001 0.000 0.314 29 R C 0.795 177.038 176.300 -0.094 0.000 1.053 29 R CA -0.188 55.842 56.100 -0.116 0.000 0.931 29 R CB 0.632 30.936 30.300 0.006 0.000 1.024 29 R HN 0.079 nan 8.270 nan 0.000 0.457 30 S N 2.225 117.877 115.700 -0.079 0.000 2.632 30 S HA 0.378 4.848 4.470 0.001 0.000 0.254 30 S C 0.579 175.156 174.600 -0.038 0.000 1.291 30 S CA -0.354 57.811 58.200 -0.059 0.000 0.974 30 S CB 0.598 63.769 63.200 -0.047 0.000 1.016 30 S HN 0.636 nan 8.310 nan 0.000 0.579 31 G N -0.828 107.953 108.800 -0.031 0.000 2.477 31 G HA2 0.525 4.485 3.960 0.001 0.000 0.304 31 G HA3 0.525 4.485 3.960 0.001 0.000 0.304 31 G C -0.524 174.362 174.900 -0.022 0.000 1.175 31 G CA -0.909 44.179 45.100 -0.020 0.000 0.907 31 G HN 0.769 nan 8.290 nan 0.000 0.509 32 V N 0.603 120.508 119.914 -0.015 0.000 2.763 32 V HA 0.388 4.509 4.120 0.001 0.000 0.306 32 V C 1.450 177.520 176.094 -0.041 0.000 1.059 32 V CA 0.601 62.881 62.300 -0.034 0.000 1.138 32 V CB 0.829 32.649 31.823 -0.005 0.000 0.940 32 V HN 0.935 nan 8.190 nan 0.000 0.489 33 G N 4.513 113.259 108.800 -0.091 0.000 2.531 33 G HA2 0.586 4.546 3.960 0.001 0.000 0.281 33 G HA3 0.586 4.546 3.960 0.001 0.000 0.281 33 G C -2.388 172.462 174.900 -0.084 0.000 1.382 33 G CA -0.899 44.153 45.100 -0.079 0.000 1.045 33 G HN 0.652 nan 8.290 nan 0.000 0.533 34 P HA 0.394 nan 4.420 nan 0.000 0.278 34 P C -1.306 175.971 177.300 -0.038 0.000 1.266 34 P CA -0.424 62.699 63.100 0.038 0.000 0.807 34 P CB 1.059 32.786 31.700 0.045 0.000 1.094 35 F N -0.374 119.566 119.950 -0.017 0.000 2.404 35 F HA 0.305 4.833 4.527 0.001 0.000 0.339 35 F C 1.263 177.047 175.800 -0.026 0.000 1.105 35 F CA -0.095 57.891 58.000 -0.025 0.000 1.087 35 F CB 1.451 40.429 39.000 -0.036 0.000 1.143 35 F HN 0.111 nan 8.300 nan 0.000 0.491 36 S N 1.822 117.584 115.700 0.102 0.000 2.448 36 S HA 0.214 4.684 4.470 0.001 0.000 0.320 36 S C 0.854 175.472 174.600 0.029 0.000 1.071 36 S CA -0.526 57.710 58.200 0.059 0.000 1.113 36 S CB 0.716 63.935 63.200 0.032 0.000 0.972 36 S HN 0.744 nan 8.310 nan 0.000 0.465 37 T N 5.489 120.045 114.554 0.003 0.000 2.833 37 T HA -0.102 4.248 4.350 0.001 0.000 0.269 37 T C 1.723 176.337 174.700 -0.144 0.000 1.054 37 T CA 1.260 63.290 62.100 -0.118 0.000 1.135 37 T CB -0.271 68.558 68.868 -0.064 0.000 0.869 37 T HN 0.555 nan 8.240 nan 0.000 0.466 38 L N 1.037 122.293 121.223 0.055 0.000 1.994 38 L HA 0.035 4.376 4.340 0.001 0.000 0.208 38 L C 2.142 179.126 176.870 0.189 0.000 1.071 38 L CA 1.679 56.636 54.840 0.195 0.000 0.745 38 L CB -0.664 41.479 42.059 0.141 0.000 0.892 38 L HN 0.237 nan 8.230 nan 0.000 0.431 39 L N -0.747 120.544 121.223 0.113 0.000 2.131 39 L HA -0.113 4.227 4.340 0.001 0.000 0.210 39 L C 2.497 179.453 176.870 0.144 0.000 1.092 39 L CA 1.027 55.955 54.840 0.147 0.000 0.759 39 L CB -1.367 40.749 42.059 0.094 0.000 0.903 39 L HN 0.494 nan 8.230 nan 0.000 0.435 40 G N -0.477 108.321 108.800 -0.004 0.000 2.485 40 G HA2 -0.273 3.688 3.960 0.001 0.000 0.221 40 G HA3 -0.273 3.688 3.960 0.001 0.000 0.221 40 G C 1.149 176.004 174.900 -0.076 0.000 1.115 40 G CA 0.411 45.446 45.100 -0.109 0.000 0.751 40 G HN 0.442 nan 8.290 nan 0.000 0.567 41 W N -1.309 120.093 121.300 0.170 0.000 2.467 41 W HA 0.236 4.897 4.660 0.001 0.000 0.275 41 W C 1.991 178.763 176.519 0.422 0.000 1.239 41 W CA -0.292 57.187 57.345 0.223 0.000 1.266 41 W CB -0.133 29.392 29.460 0.107 0.000 1.112 41 W HN 0.148 nan 8.180 nan 0.000 0.576 42 F N -0.851 119.347 119.950 0.414 0.000 2.500 42 F HA 0.402 4.929 4.527 0.001 0.000 0.285 42 F C 1.407 177.308 175.800 0.168 0.000 1.088 42 F CA 1.249 59.453 58.000 0.340 0.000 1.432 42 F CB -0.213 38.982 39.000 0.326 0.000 1.131 42 F HN -0.226 nan 8.300 nan 0.000 0.582 43 G N -0.856 108.057 108.800 0.188 0.000 2.871 43 G HA2 0.171 4.132 3.960 0.001 0.000 0.282 43 G HA3 0.171 4.132 3.960 0.001 0.000 0.282 43 G C -1.244 173.691 174.900 0.060 0.000 1.212 43 G CA -0.833 44.299 45.100 0.052 0.000 0.812 43 G HN -0.112 nan 8.290 nan 0.000 0.547 44 N N 0.387 119.109 118.700 0.036 0.000 2.441 44 N HA 0.356 5.096 4.740 0.001 0.000 0.251 44 N C 1.043 176.569 175.510 0.026 0.000 1.242 44 N CA 0.545 53.611 53.050 0.025 0.000 0.898 44 N CB 1.625 40.115 38.487 0.005 0.000 1.100 44 N HN 0.614 nan 8.380 nan 0.000 0.443 45 A N 1.458 124.302 122.820 0.039 0.000 2.095 45 A HA -0.026 4.295 4.320 0.001 0.000 0.212 45 A C 0.907 178.445 177.584 -0.076 0.000 1.162 45 A CA 0.247 52.315 52.037 0.052 0.000 0.753 45 A CB -0.118 18.972 19.000 0.150 0.000 0.840 45 A HN 0.733 nan 8.150 nan 0.000 0.468 46 Q N 0.484 120.154 119.800 -0.216 0.000 2.313 46 Q HA 0.394 4.734 4.340 0.001 0.000 0.266 46 Q C -1.560 174.210 176.000 -0.383 0.000 0.989 46 Q CA -0.219 55.192 55.803 -0.653 0.000 0.890 46 Q CB 0.397 28.804 28.738 -0.552 0.000 1.200 46 Q HN 0.279 nan 8.270 nan 0.000 0.396 47 L N 3.619 124.591 121.223 -0.418 0.000 2.317 47 L HA 0.648 4.988 4.340 0.001 0.000 0.281 47 L C 0.475 177.225 176.870 -0.200 0.000 1.024 47 L CA 0.795 55.504 54.840 -0.219 0.000 0.810 47 L CB 1.466 43.433 42.059 -0.154 0.000 1.240 47 L HN 0.912 nan 8.230 nan 0.000 0.427 48 G N 3.251 111.980 108.800 -0.118 0.000 2.877 48 G HA2 -0.127 3.833 3.960 0.001 0.000 0.279 48 G HA3 -0.127 3.833 3.960 0.001 0.000 0.279 48 G C -2.771 172.074 174.900 -0.091 0.000 1.431 48 G CA -0.668 44.381 45.100 -0.085 0.000 0.883 48 G HN 0.551 nan 8.290 nan 0.000 0.547 49 P HA 0.589 nan 4.420 nan 0.000 0.276 49 P C -0.261 177.032 177.300 -0.012 0.000 1.261 49 P CA -0.457 62.624 63.100 -0.032 0.000 0.800 49 P CB 1.337 33.025 31.700 -0.020 0.000 1.066 50 I N 0.250 120.820 120.570 -0.001 0.000 2.646 50 I HA 0.352 4.522 4.170 0.001 0.000 0.299 50 I C -1.017 175.127 176.117 0.044 0.000 1.036 50 I CA -1.437 59.880 61.300 0.028 0.000 1.074 50 I CB 1.814 39.831 38.000 0.029 0.000 1.258 50 I HN 0.234 nan 8.210 nan 0.000 0.430 51 Y N 7.118 127.384 120.300 -0.057 0.000 2.316 51 Y HA 0.533 5.084 4.550 0.001 0.000 0.331 51 Y C -0.997 174.866 175.900 -0.062 0.000 1.083 51 Y CA -0.164 57.896 58.100 -0.067 0.000 1.206 51 Y CB 0.912 39.314 38.460 -0.096 0.000 1.195 51 Y HN 0.425 nan 8.280 nan 0.000 0.497 52 L N 7.298 128.271 121.223 -0.418 0.000 2.480 52 L HA 0.400 4.741 4.340 0.001 0.000 0.253 52 L C 0.473 177.165 176.870 -0.296 0.000 1.324 52 L CA -0.463 54.246 54.840 -0.218 0.000 0.916 52 L CB 0.678 42.661 42.059 -0.127 0.000 1.160 52 L HN 0.882 nan 8.230 nan 0.000 0.503 53 G N -0.207 108.489 108.800 -0.173 0.000 2.508 53 G HA2 0.220 4.180 3.960 0.001 0.000 0.278 53 G HA3 0.220 4.180 3.960 0.001 0.000 0.278 53 G C 0.792 175.685 174.900 -0.011 0.000 1.389 53 G CA -0.154 44.906 45.100 -0.067 0.000 1.050 53 G HN 0.361 nan 8.290 nan 0.000 0.522 54 S N -0.880 114.826 115.700 0.011 0.000 2.368 54 S HA -0.119 4.351 4.470 0.001 0.000 0.224 54 S C 2.346 176.972 174.600 0.044 0.000 1.029 54 S CA 0.732 58.942 58.200 0.016 0.000 0.988 54 S CB -0.357 62.851 63.200 0.014 0.000 0.838 54 S HN 0.346 nan 8.310 nan 0.000 0.462 55 L N 2.078 123.331 121.223 0.051 0.000 2.012 55 L HA -0.041 4.300 4.340 0.001 0.000 0.210 55 L C 2.293 179.209 176.870 0.076 0.000 1.073 55 L CA 2.039 56.915 54.840 0.060 0.000 0.748 55 L CB -1.378 40.700 42.059 0.032 0.000 0.891 55 L HN 0.342 nan 8.230 nan 0.000 0.431 56 G N -1.759 107.075 108.800 0.056 0.000 2.422 56 G HA2 -0.152 3.809 3.960 0.001 0.000 0.218 56 G HA3 -0.152 3.809 3.960 0.001 0.000 0.218 56 G C 1.517 176.499 174.900 0.138 0.000 1.140 56 G CA 0.928 46.079 45.100 0.085 0.000 0.775 56 G HN 0.342 nan 8.290 nan 0.000 0.545 57 V N 0.656 120.625 119.914 0.091 0.000 2.453 57 V HA -0.083 4.037 4.120 0.001 0.000 0.247 57 V C 2.608 178.789 176.094 0.146 0.000 1.048 57 V CA 1.440 63.794 62.300 0.090 0.000 1.049 57 V CB -0.332 31.507 31.823 0.027 0.000 0.672 57 V HN 0.365 nan 8.190 nan 0.000 0.457 58 L N 0.216 121.525 121.223 0.144 0.000 2.017 58 L HA -0.112 4.228 4.340 0.001 0.000 0.208 58 L C 2.601 179.615 176.870 0.240 0.000 1.073 58 L CA 2.435 57.396 54.840 0.201 0.000 0.745 58 L CB -0.834 41.321 42.059 0.159 0.000 0.894 58 L HN 0.301 nan 8.230 nan 0.000 0.432 59 S N -0.839 114.992 115.700 0.219 0.000 2.356 59 S HA -0.197 4.273 4.470 0.001 0.000 0.223 59 S C 2.106 176.821 174.600 0.190 0.000 1.032 59 S CA 1.694 60.036 58.200 0.237 0.000 1.005 59 S CB -0.530 62.903 63.200 0.387 0.000 0.867 59 S HN 0.529 nan 8.310 nan 0.000 0.449 60 L N -0.176 121.172 121.223 0.207 0.000 2.046 60 L HA -0.044 4.296 4.340 0.001 0.000 0.208 60 L C 2.264 179.203 176.870 0.114 0.000 1.077 60 L CA 1.828 56.750 54.840 0.136 0.000 0.747 60 L CB -0.479 41.666 42.059 0.142 0.000 0.896 60 L HN 0.467 nan 8.230 nan 0.000 0.432 61 F N 0.861 120.822 119.950 0.017 0.000 2.051 61 F HA -0.272 4.255 4.527 0.001 0.000 0.296 61 F C 2.802 178.564 175.800 -0.064 0.000 1.122 61 F CA 1.970 59.955 58.000 -0.026 0.000 1.201 61 F CB -0.657 38.336 39.000 -0.011 0.000 0.978 61 F HN 0.188 nan 8.300 nan 0.000 0.472 62 S N -0.177 115.412 115.700 -0.185 0.000 2.447 62 S HA -0.031 4.439 4.470 0.001 0.000 0.233 62 S C 2.329 176.836 174.600 -0.154 0.000 1.006 62 S CA 0.733 58.766 58.200 -0.279 0.000 0.957 62 S CB -1.508 61.761 63.200 0.115 0.000 0.773 62 S HN 0.510 nan 8.310 nan 0.000 0.507 63 G N 2.054 110.822 108.800 -0.054 0.000 2.402 63 G HA2 0.012 3.972 3.960 0.001 0.000 0.216 63 G HA3 0.012 3.972 3.960 0.001 0.000 0.216 63 G C 1.393 176.339 174.900 0.077 0.000 1.162 63 G CA 0.667 45.789 45.100 0.037 0.000 0.777 63 G HN 0.499 nan 8.290 nan 0.000 0.539 64 L N 0.031 121.211 121.223 -0.071 0.000 2.109 64 L HA -0.011 4.329 4.340 0.001 0.000 0.207 64 L C 2.989 179.801 176.870 -0.096 0.000 1.086 64 L CA 0.470 55.275 54.840 -0.059 0.000 0.760 64 L CB -0.304 41.695 42.059 -0.101 0.000 0.910 64 L HN 0.135 nan 8.230 nan 0.000 0.437 65 M N -1.236 118.107 119.600 -0.429 0.000 2.213 65 M HA -0.224 4.256 4.480 0.001 0.000 0.263 65 M C 2.067 178.242 176.300 -0.208 0.000 1.062 65 M CA 1.552 56.462 55.300 -0.650 0.000 1.105 65 M CB -1.226 30.279 32.600 -1.825 0.000 1.385 65 M HN 0.447 nan 8.290 nan 0.000 0.417 66 W N 0.586 121.766 121.300 -0.200 0.000 2.355 66 W HA -0.246 4.415 4.660 0.001 0.000 0.309 66 W C 2.198 178.688 176.519 -0.049 0.000 1.206 66 W CA 1.306 58.644 57.345 -0.011 0.000 1.284 66 W CB -1.004 28.445 29.460 -0.018 0.000 1.145 66 W HN 0.162 nan 8.180 nan 0.000 0.502 67 F N 0.204 119.979 119.950 -0.291 0.000 2.102 67 F HA -0.188 4.339 4.527 0.001 0.000 0.298 67 F C 2.414 178.040 175.800 -0.291 0.000 1.105 67 F CA 2.280 59.989 58.000 -0.485 0.000 1.239 67 F CB -1.332 37.524 39.000 -0.240 0.000 0.991 67 F HN -0.021 nan 8.300 nan 0.000 0.474 68 F N 0.866 120.739 119.950 -0.129 0.000 2.095 68 F HA -0.244 4.284 4.527 0.001 0.000 0.298 68 F C 2.371 178.074 175.800 -0.161 0.000 1.104 68 F CA 2.375 60.297 58.000 -0.131 0.000 1.232 68 F CB -1.118 37.824 39.000 -0.096 0.000 0.987 68 F HN -0.088 nan 8.300 nan 0.000 0.475 69 T N 1.690 116.146 114.554 -0.162 0.000 2.684 69 T HA -0.219 4.132 4.350 0.001 0.000 0.267 69 T C 2.123 176.633 174.700 -0.316 0.000 1.036 69 T CA 2.172 64.158 62.100 -0.190 0.000 1.148 69 T CB -0.565 68.334 68.868 0.051 0.000 0.863 69 T HN 0.321 nan 8.240 nan 0.000 0.436 70 I N 1.140 121.401 120.570 -0.514 0.000 2.226 70 I HA -0.095 4.076 4.170 0.001 0.000 0.245 70 I C 2.954 178.632 176.117 -0.732 0.000 1.100 70 I CA 1.292 62.190 61.300 -0.670 0.000 1.374 70 I CB -0.859 36.517 38.000 -1.040 0.000 1.057 70 I HN 0.317 nan 8.210 nan 0.000 0.413 71 G N 1.108 109.482 108.800 -0.710 0.000 2.440 71 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 71 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 71 G C 1.775 176.636 174.900 -0.066 0.000 1.154 71 G CA 0.775 45.631 45.100 -0.408 0.000 0.767 71 G HN 0.429 nan 8.290 nan 0.000 0.552 72 I N -0.866 119.558 120.570 -0.243 0.000 2.315 72 I HA -0.074 4.097 4.170 0.001 0.000 0.248 72 I C 2.427 178.592 176.117 0.080 0.000 1.117 72 I CA 1.126 62.380 61.300 -0.076 0.000 1.404 72 I CB -0.104 37.715 38.000 -0.301 0.000 1.071 72 I HN 0.492 nan 8.210 nan 0.000 0.419 73 W N 1.012 122.272 121.300 -0.067 0.000 2.388 73 W HA -0.270 4.390 4.660 0.001 0.000 0.294 73 W C 2.013 178.578 176.519 0.077 0.000 1.212 73 W CA 1.007 58.386 57.345 0.057 0.000 1.271 73 W CB -0.374 29.148 29.460 0.103 0.000 1.126 73 W HN 0.136 nan 8.180 nan 0.000 0.535 74 F N -0.310 119.449 119.950 -0.319 0.000 2.134 74 F HA -0.131 4.396 4.527 0.001 0.000 0.299 74 F C 2.046 177.232 175.800 -1.025 0.000 1.097 74 F CA 1.162 58.681 58.000 -0.801 0.000 1.264 74 F CB -1.670 37.022 39.000 -0.514 0.000 1.001 74 F HN -0.105 nan 8.300 nan 0.000 0.479 75 W N -1.526 119.540 121.300 -0.391 0.000 2.388 75 W HA -0.226 4.435 4.660 0.001 0.000 0.294 75 W C 2.573 178.308 176.519 -1.308 0.000 1.212 75 W CA 1.489 58.443 57.345 -0.651 0.000 1.271 75 W CB -1.000 28.163 29.460 -0.495 0.000 1.126 75 W HN 0.060 nan 8.180 nan 0.000 0.535 76 Y N 0.980 120.571 120.300 -1.183 0.000 2.200 76 Y HA -0.226 4.324 4.550 0.001 0.000 0.290 76 Y C 2.280 177.605 175.900 -0.959 0.000 1.137 76 Y CA 1.948 59.322 58.100 -1.210 0.000 1.163 76 Y CB -0.764 37.281 38.460 -0.693 0.000 0.988 76 Y HN -0.016 nan 8.280 nan 0.000 0.518 77 Q N -0.557 118.555 119.800 -1.148 0.000 2.291 77 Q HA -0.090 4.251 4.340 0.001 0.000 0.206 77 Q C 1.933 177.491 176.000 -0.738 0.000 0.976 77 Q CA 0.943 56.149 55.803 -0.996 0.000 0.875 77 Q CB -0.157 28.020 28.738 -0.934 0.000 0.927 77 Q HN 0.590 nan 8.270 nan 0.000 0.450 78 A N -0.445 121.876 122.820 -0.831 0.000 2.275 78 A HA 0.305 4.625 4.320 0.001 0.000 0.212 78 A C 1.373 178.743 177.584 -0.356 0.000 1.201 78 A CA 0.622 52.381 52.037 -0.463 0.000 0.843 78 A CB -0.091 18.645 19.000 -0.440 0.000 0.873 78 A HN 0.397 nan 8.150 nan 0.000 0.492 79 G N -2.093 106.375 108.800 -0.554 0.000 2.179 79 G HA2 -0.315 3.646 3.960 0.001 0.000 0.257 79 G HA3 -0.315 3.646 3.960 0.001 0.000 0.257 79 G C 0.250 175.114 174.900 -0.060 0.000 1.010 79 G CA 0.195 45.092 45.100 -0.339 0.000 0.736 79 G HN 1.114 nan 8.290 nan 0.000 0.513 80 W N -1.976 119.388 121.300 0.106 0.000 4.849 80 W HA -0.185 4.476 4.660 0.001 0.000 0.358 80 W C 0.511 177.192 176.519 0.270 0.000 1.331 80 W CA 0.324 57.831 57.345 0.270 0.000 0.844 80 W CB -1.929 27.606 29.460 0.124 0.000 2.434 80 W HN 0.591 nan 8.180 nan 0.000 1.458 81 N N 0.509 119.391 118.700 0.302 0.000 2.511 81 N HA 0.252 4.992 4.740 0.001 0.000 0.249 81 N C -1.296 174.343 175.510 0.215 0.000 0.971 81 N CA -2.006 51.182 53.050 0.231 0.000 0.938 81 N CB 1.695 40.246 38.487 0.107 0.000 1.131 81 N HN -0.267 nan 8.380 nan 0.000 0.505 82 P HA -0.144 nan 4.420 nan 0.000 0.217 82 P C 0.903 178.294 177.300 0.151 0.000 1.151 82 P CA 1.529 64.791 63.100 0.269 0.000 0.849 82 P CB 0.338 32.227 31.700 0.316 0.000 0.787 83 A N -0.895 121.993 122.820 0.112 0.000 1.902 83 A HA -0.156 4.165 4.320 0.001 0.000 0.217 83 A C 2.309 179.907 177.584 0.023 0.000 1.181 83 A CA 1.838 53.912 52.037 0.062 0.000 0.623 83 A CB -1.616 17.411 19.000 0.045 0.000 0.818 83 A HN 0.051 nan 8.150 nan 0.000 0.443 84 V N -1.329 118.597 119.914 0.019 0.000 2.453 84 V HA -0.190 3.931 4.120 0.001 0.000 0.247 84 V C 2.245 178.342 176.094 0.004 0.000 1.048 84 V CA 1.816 64.104 62.300 -0.021 0.000 1.049 84 V CB -0.940 30.870 31.823 -0.022 0.000 0.672 84 V HN 0.637 nan 8.190 nan 0.000 0.457 85 F N 0.368 120.209 119.950 -0.181 0.000 2.171 85 F HA -0.175 4.352 4.527 0.001 0.000 0.300 85 F C 1.963 177.670 175.800 -0.155 0.000 1.090 85 F CA 1.727 59.567 58.000 -0.268 0.000 1.293 85 F CB -0.059 38.369 39.000 -0.954 0.000 1.013 85 F HN 0.038 nan 8.300 nan 0.000 0.486 86 L N 0.172 121.373 121.223 -0.037 0.000 2.179 86 L HA -0.082 4.258 4.340 0.001 0.000 0.208 86 L C 2.536 179.273 176.870 -0.222 0.000 1.096 86 L CA 1.208 55.972 54.840 -0.127 0.000 0.779 86 L CB -0.522 41.557 42.059 0.033 0.000 0.922 86 L HN 0.161 nan 8.230 nan 0.000 0.443 87 R N -0.800 119.591 120.500 -0.182 0.000 2.153 87 R HA -0.047 4.293 4.340 0.001 0.000 0.218 87 R C 0.696 176.807 176.300 -0.316 0.000 1.072 87 R CA 1.222 57.211 56.100 -0.185 0.000 0.990 87 R CB -0.209 30.005 30.300 -0.145 0.000 0.889 87 R HN 0.135 nan 8.270 nan 0.000 0.452 88 D N 0.238 120.325 120.400 -0.522 0.000 2.424 88 D HA 0.032 4.672 4.640 0.001 0.000 0.220 88 D C 1.168 176.692 176.300 -1.294 0.000 1.150 88 D CA -0.136 53.336 54.000 -0.880 0.000 0.831 88 D CB 0.593 40.730 40.800 -1.106 0.000 0.981 88 D HN 0.117 nan 8.370 nan 0.000 0.500 89 L N 0.006 120.668 121.223 -0.935 0.000 2.043 89 L HA -0.182 4.158 4.340 0.001 0.000 0.212 89 L C 1.468 177.840 176.870 -0.830 0.000 1.075 89 L CA 1.831 56.110 54.840 -0.935 0.000 0.752 89 L CB -0.513 40.967 42.059 -0.965 0.000 0.891 89 L HN -0.086 nan 8.230 nan 0.000 0.432 90 F N -1.798 117.833 119.950 -0.531 0.000 2.558 90 F HA -0.008 4.520 4.527 0.001 0.000 0.298 90 F C 1.711 176.957 175.800 -0.923 0.000 1.119 90 F CA 0.513 57.983 58.000 -0.884 0.000 1.451 90 F CB -0.657 37.389 39.000 -1.590 0.000 1.091 90 F HN 0.028 nan 8.300 nan 0.000 0.563 91 F N -1.677 117.908 119.950 -0.610 0.000 2.619 91 F HA 0.152 4.680 4.527 0.001 0.000 0.293 91 F C 0.879 176.425 175.800 -0.424 0.000 1.119 91 F CA -0.728 57.036 58.000 -0.393 0.000 1.445 91 F CB -0.949 37.834 39.000 -0.362 0.000 1.119 91 F HN -0.316 nan 8.300 nan 0.000 0.573 92 F N 0.668 120.373 119.950 -0.407 0.000 2.589 92 F HA 0.304 4.831 4.527 0.001 0.000 0.352 92 F C 0.818 176.325 175.800 -0.488 0.000 1.168 92 F CA -0.455 57.100 58.000 -0.742 0.000 1.353 92 F CB 0.127 38.027 39.000 -1.833 0.000 1.116 92 F HN -0.280 nan 8.300 nan 0.000 0.608 93 S N 2.720 118.508 115.700 0.147 0.000 2.592 93 S HA 0.385 4.856 4.470 0.001 0.000 0.275 93 S C -1.467 173.493 174.600 0.601 0.000 1.169 93 S CA -0.842 57.606 58.200 0.413 0.000 0.958 93 S CB 0.661 64.039 63.200 0.297 0.000 1.095 93 S HN 0.653 nan 8.310 nan 0.000 0.471 94 L N 4.858 126.448 121.223 0.612 0.000 2.282 94 L HA 0.489 4.829 4.340 0.001 0.000 0.287 94 L C -0.232 176.814 176.870 0.293 0.000 1.075 94 L CA -0.277 54.745 54.840 0.304 0.000 0.839 94 L CB 0.426 42.713 42.059 0.380 0.000 1.219 94 L HN 0.716 nan 8.230 nan 0.000 0.434 95 E N 6.244 126.489 120.200 0.076 0.000 2.277 95 E HA 0.419 4.770 4.350 0.001 0.000 0.274 95 E C -2.319 174.107 176.600 -0.290 0.000 1.022 95 E CA -1.742 54.625 56.400 -0.055 0.000 0.853 95 E CB 1.192 30.883 29.700 -0.016 0.000 1.086 95 E HN 0.412 nan 8.360 nan 0.000 0.397 96 P HA 0.255 nan 4.420 nan 0.000 0.277 96 P C -2.574 174.467 177.300 -0.432 0.000 1.271 96 P CA -1.665 60.763 63.100 -1.121 0.000 0.795 96 P CB -0.472 30.064 31.700 -1.940 0.000 1.101 97 P HA 0.021 nan 4.420 nan 0.000 0.265 97 P C -0.093 177.244 177.300 0.060 0.000 1.187 97 P CA 0.587 63.650 63.100 -0.061 0.000 0.766 97 P CB -0.025 31.692 31.700 0.028 0.000 0.820 98 A N 5.892 128.848 122.820 0.227 0.000 2.386 98 A HA 0.206 4.526 4.320 0.001 0.000 0.246 98 A C -1.203 176.463 177.584 0.138 0.000 1.089 98 A CA -0.728 51.409 52.037 0.166 0.000 0.790 98 A CB -1.065 18.040 19.000 0.175 0.000 1.042 98 A HN 0.438 nan 8.150 nan 0.000 0.497 99 P HA -0.175 nan 4.420 nan 0.000 0.216 99 P C 0.783 178.062 177.300 -0.035 0.000 1.150 99 P CA 1.672 64.771 63.100 -0.000 0.000 0.843 99 P CB 0.098 31.784 31.700 -0.023 0.000 0.787 100 E N -1.761 118.379 120.200 -0.099 0.000 2.219 100 E HA -0.200 4.150 4.350 0.001 0.000 0.198 100 E C 1.502 177.948 176.600 -0.258 0.000 0.998 100 E CA 1.210 57.479 56.400 -0.218 0.000 0.818 100 E CB -1.087 28.406 29.700 -0.345 0.000 0.741 100 E HN 0.469 nan 8.360 nan 0.000 0.477 101 Y N -0.094 120.200 120.300 -0.010 0.000 2.561 101 Y HA 0.118 4.668 4.550 0.001 0.000 0.291 101 Y C 1.838 177.721 175.900 -0.029 0.000 1.141 101 Y CA 0.559 58.659 58.100 0.001 0.000 1.303 101 Y CB -0.380 38.103 38.460 0.039 0.000 1.015 101 Y HN 0.113 nan 8.280 nan 0.000 0.547 102 G N 0.854 109.680 108.800 0.043 0.000 2.611 102 G HA2 -0.354 3.606 3.960 0.001 0.000 0.301 102 G HA3 -0.354 3.606 3.960 0.001 0.000 0.301 102 G C 0.497 175.292 174.900 -0.174 0.000 1.233 102 G CA 0.599 45.654 45.100 -0.075 0.000 0.993 102 G HN 0.274 nan 8.290 nan 0.000 0.553 103 L N 1.926 122.962 121.223 -0.312 0.000 2.872 103 L HA 0.389 4.730 4.340 0.001 0.000 0.245 103 L C 1.468 178.144 176.870 -0.323 0.000 1.211 103 L CA 0.435 54.897 54.840 -0.630 0.000 1.013 103 L CB 0.089 41.731 42.059 -0.695 0.000 1.326 103 L HN 0.655 nan 8.230 nan 0.000 0.525 104 S N -1.146 114.478 115.700 -0.128 0.000 2.632 104 S HA 0.357 4.828 4.470 0.001 0.000 0.271 104 S C 0.083 174.585 174.600 -0.163 0.000 1.260 104 S CA -0.430 57.657 58.200 -0.188 0.000 1.010 104 S CB 0.816 64.022 63.200 0.009 0.000 0.965 104 S HN 0.140 nan 8.310 nan 0.000 0.534 105 F N 0.518 120.582 119.950 0.190 0.000 2.730 105 F HA 0.488 5.016 4.527 0.001 0.000 0.295 105 F C 1.614 177.431 175.800 0.028 0.000 1.143 105 F CA -0.536 57.519 58.000 0.092 0.000 1.367 105 F CB -0.605 38.426 39.000 0.051 0.000 0.970 105 F HN 0.786 nan 8.300 nan 0.000 0.514 106 A N -0.021 122.879 122.820 0.134 0.000 2.238 106 A HA 0.544 4.864 4.320 0.001 0.000 0.210 106 A C 1.546 179.094 177.584 -0.060 0.000 1.179 106 A CA 0.280 52.371 52.037 0.090 0.000 0.827 106 A CB -0.517 18.577 19.000 0.157 0.000 0.856 106 A HN 0.202 nan 8.150 nan 0.000 0.488 107 A N 1.206 123.842 122.820 -0.307 0.000 2.531 107 A HA 0.457 4.777 4.320 0.001 0.000 0.236 107 A C -2.326 175.085 177.584 -0.288 0.000 1.062 107 A CA -0.630 50.984 52.037 -0.706 0.000 0.760 107 A CB -0.444 18.098 19.000 -0.763 0.000 0.995 107 A HN 0.262 nan 8.150 nan 0.000 0.501 108 P HA 0.170 nan 4.420 nan 0.000 0.272 108 P C 1.072 178.326 177.300 -0.076 0.000 1.223 108 P CA -0.514 62.543 63.100 -0.072 0.000 0.784 108 P CB 0.492 32.189 31.700 -0.004 0.000 0.923 109 L N 1.478 122.680 121.223 -0.034 0.000 2.010 109 L HA -0.267 4.073 4.340 0.001 0.000 0.219 109 L C 1.735 178.564 176.870 -0.068 0.000 1.077 109 L CA 1.978 56.798 54.840 -0.033 0.000 0.773 109 L CB -0.635 41.428 42.059 0.006 0.000 0.892 109 L HN 0.475 nan 8.230 nan 0.000 0.436 110 K N -0.184 120.212 120.400 -0.006 0.000 2.525 110 K HA -0.015 4.306 4.320 0.001 0.000 0.192 110 K C 0.249 176.814 176.600 -0.058 0.000 1.029 110 K CA 0.416 56.719 56.287 0.025 0.000 1.029 110 K CB 0.115 32.776 32.500 0.267 0.000 0.814 110 K HN 0.400 nan 8.250 nan 0.000 0.503 111 E N -0.298 119.850 120.200 -0.086 0.000 3.575 111 E HA 0.150 4.500 4.350 0.001 0.000 0.201 111 E C 0.322 176.828 176.600 -0.157 0.000 0.999 111 E CA -0.239 56.117 56.400 -0.074 0.000 1.315 111 E CB 1.275 30.979 29.700 0.005 0.000 1.146 111 E HN 0.345 nan 8.360 nan 0.000 0.453 112 G N 0.023 108.720 108.800 -0.171 0.000 2.316 112 G HA2 -0.251 3.710 3.960 0.001 0.000 0.203 112 G HA3 -0.251 3.710 3.960 0.001 0.000 0.203 112 G C 1.082 175.962 174.900 -0.034 0.000 0.999 112 G CA -0.171 44.859 45.100 -0.118 0.000 0.649 112 G HN 0.451 nan 8.290 nan 0.000 0.489 113 G N 0.575 109.324 108.800 -0.086 0.000 2.408 113 G HA2 0.131 4.092 3.960 0.001 0.000 0.217 113 G HA3 0.131 4.092 3.960 0.001 0.000 0.217 113 G C 1.681 176.574 174.900 -0.012 0.000 1.150 113 G CA 1.546 46.621 45.100 -0.041 0.000 0.776 113 G HN 0.496 nan 8.290 nan 0.000 0.542 114 L N -0.676 120.523 121.223 -0.041 0.000 2.093 114 L HA 0.115 4.456 4.340 0.001 0.000 0.208 114 L C 2.307 179.194 176.870 0.028 0.000 1.085 114 L CA 0.891 55.714 54.840 -0.028 0.000 0.755 114 L CB -0.989 41.008 42.059 -0.103 0.000 0.904 114 L HN 0.531 nan 8.230 nan 0.000 0.435 115 W N -0.222 121.010 121.300 -0.113 0.000 2.358 115 W HA -0.214 4.446 4.660 0.000 0.000 0.303 115 W C 2.291 178.825 176.519 0.025 0.000 1.208 115 W CA 1.503 58.855 57.345 0.011 0.000 1.274 115 W CB -0.112 29.319 29.460 -0.048 0.000 1.138 115 W HN 0.061 nan 8.180 nan 0.000 0.515 116 L N 0.116 121.446 121.223 0.179 0.000 2.046 116 L HA -0.246 4.094 4.340 0.001 0.000 0.208 116 L C 2.407 179.183 176.870 -0.155 0.000 1.077 116 L CA 1.451 56.261 54.840 -0.050 0.000 0.747 116 L CB -0.798 41.272 42.059 0.018 0.000 0.896 116 L HN 0.037 nan 8.230 nan 0.000 0.432 117 I N -0.294 120.210 120.570 -0.110 0.000 2.179 117 I HA -0.281 3.890 4.170 0.001 0.000 0.242 117 I C 2.814 178.880 176.117 -0.085 0.000 1.088 117 I CA 1.147 62.354 61.300 -0.156 0.000 1.357 117 I CB -0.494 37.459 38.000 -0.078 0.000 1.051 117 I HN 0.198 nan 8.210 nan 0.000 0.409 118 A N 0.125 122.936 122.820 -0.015 0.000 1.908 118 A HA -0.221 4.099 4.320 0.001 0.000 0.218 118 A C 2.474 180.124 177.584 0.110 0.000 1.181 118 A CA 2.343 54.426 52.037 0.077 0.000 0.627 118 A CB -0.755 18.131 19.000 -0.190 0.000 0.818 118 A HN 0.397 nan 8.150 nan 0.000 0.445 119 S N -1.442 114.172 115.700 -0.143 0.000 2.402 119 S HA -0.076 4.394 4.470 0.001 0.000 0.229 119 S C 1.593 176.293 174.600 0.166 0.000 1.021 119 S CA 1.222 59.374 58.200 -0.080 0.000 0.974 119 S CB -0.454 62.395 63.200 -0.585 0.000 0.800 119 S HN 0.631 nan 8.310 nan 0.000 0.484 120 F N 1.777 121.672 119.950 -0.092 0.000 2.102 120 F HA -0.074 4.453 4.527 0.001 0.000 0.298 120 F C 1.637 177.467 175.800 0.049 0.000 1.105 120 F CA 1.241 59.184 58.000 -0.095 0.000 1.239 120 F CB -0.446 38.336 39.000 -0.363 0.000 0.991 120 F HN 0.113 nan 8.300 nan 0.000 0.474 121 F N 0.163 120.181 119.950 0.113 0.000 2.134 121 F HA -0.218 4.310 4.527 0.001 0.000 0.299 121 F C 2.641 178.384 175.800 -0.094 0.000 1.097 121 F CA 1.720 59.724 58.000 0.005 0.000 1.264 121 F CB -1.198 37.886 39.000 0.140 0.000 1.001 121 F HN 0.083 nan 8.300 nan 0.000 0.479 122 M N -1.206 118.402 119.600 0.013 0.000 2.175 122 M HA -0.220 4.260 4.480 0.001 0.000 0.264 122 M C 2.260 178.525 176.300 -0.057 0.000 1.063 122 M CA 1.611 56.678 55.300 -0.387 0.000 1.119 122 M CB -0.443 31.660 32.600 -0.829 0.000 1.377 122 M HN 0.136 nan 8.290 nan 0.000 0.415 123 F N 0.458 120.455 119.950 0.079 0.000 2.069 123 F HA -0.229 4.299 4.527 0.001 0.000 0.298 123 F C 1.856 177.735 175.800 0.132 0.000 1.113 123 F CA 2.120 60.240 58.000 0.200 0.000 1.214 123 F CB -0.657 38.308 39.000 -0.058 0.000 0.978 123 F HN -0.054 nan 8.300 nan 0.000 0.474 124 V N 0.528 120.432 119.914 -0.017 0.000 2.295 124 V HA -0.297 3.824 4.120 0.001 0.000 0.246 124 V C 2.745 178.834 176.094 -0.008 0.000 1.049 124 V CA 1.735 64.008 62.300 -0.046 0.000 1.024 124 V CB -1.666 30.102 31.823 -0.092 0.000 0.648 124 V HN 0.509 nan 8.190 nan 0.000 0.447 125 A N 0.020 122.820 122.820 -0.033 0.000 1.873 125 A HA -0.217 4.103 4.320 0.001 0.000 0.218 125 A C 2.414 179.958 177.584 -0.066 0.000 1.193 125 A CA 2.542 54.557 52.037 -0.035 0.000 0.629 125 A CB -0.895 18.032 19.000 -0.122 0.000 0.826 125 A HN 0.335 nan 8.150 nan 0.000 0.447 126 V N -2.385 117.358 119.914 -0.284 0.000 2.261 126 V HA -0.294 3.826 4.120 0.001 0.000 0.246 126 V C 2.293 178.242 176.094 -0.242 0.000 1.047 126 V CA 1.961 64.004 62.300 -0.428 0.000 1.015 126 V CB -1.094 30.071 31.823 -1.096 0.000 0.642 126 V HN 0.791 nan 8.190 nan 0.000 0.446 127 W N 0.741 121.912 121.300 -0.216 0.000 2.388 127 W HA -0.175 4.486 4.660 0.000 0.000 0.294 127 W C 2.959 179.538 176.519 0.100 0.000 1.212 127 W CA 1.508 58.784 57.345 -0.116 0.000 1.271 127 W CB -0.472 28.770 29.460 -0.363 0.000 1.126 127 W HN 0.369 nan 8.180 nan 0.000 0.535 128 S N -0.856 115.013 115.700 0.283 0.000 2.402 128 S HA -0.243 4.227 4.470 0.001 0.000 0.229 128 S C 1.693 176.448 174.600 0.258 0.000 1.021 128 S CA 0.908 59.255 58.200 0.246 0.000 0.974 128 S CB -1.214 62.100 63.200 0.190 0.000 0.800 128 S HN 0.494 nan 8.310 nan 0.000 0.484 129 W N 0.800 122.173 121.300 0.121 0.000 2.402 129 W HA -0.076 4.584 4.660 0.001 0.000 0.286 129 W C 1.878 178.538 176.519 0.236 0.000 1.221 129 W CA 0.916 58.338 57.345 0.129 0.000 1.257 129 W CB -0.460 29.063 29.460 0.105 0.000 1.120 129 W HN 0.521 nan 8.180 nan 0.000 0.551 130 W N 1.578 123.061 121.300 0.304 0.000 2.358 130 W HA -0.078 4.583 4.660 0.000 0.000 0.303 130 W C 2.468 179.070 176.519 0.138 0.000 1.208 130 W CA 3.242 60.739 57.345 0.253 0.000 1.274 130 W CB -0.869 28.585 29.460 -0.011 0.000 1.138 130 W HN -0.121 nan 8.180 nan 0.000 0.515 131 G N 0.425 109.311 108.800 0.143 0.000 2.442 131 G HA2 -0.333 3.628 3.960 0.001 0.000 0.219 131 G HA3 -0.333 3.628 3.960 0.001 0.000 0.219 131 G C 1.619 176.368 174.900 -0.252 0.000 1.141 131 G CA 1.102 46.141 45.100 -0.102 0.000 0.763 131 G HN 0.332 nan 8.290 nan 0.000 0.554 132 R N 0.430 120.780 120.500 -0.250 0.000 2.083 132 R HA -0.130 4.210 4.340 0.001 0.000 0.237 132 R C 2.866 178.886 176.300 -0.467 0.000 1.137 132 R CA 2.183 58.054 56.100 -0.381 0.000 0.951 132 R CB -0.702 29.252 30.300 -0.576 0.000 0.851 132 R HN 0.468 nan 8.270 nan 0.000 0.434 133 T N -2.147 112.098 114.554 -0.515 0.000 2.929 133 T HA -0.197 4.154 4.350 0.001 0.000 0.271 133 T C 1.712 176.131 174.700 -0.468 0.000 1.085 133 T CA 1.147 62.967 62.100 -0.466 0.000 1.125 133 T CB -0.416 68.240 68.868 -0.352 0.000 0.874 133 T HN 0.435 nan 8.240 nan 0.000 0.494 134 Y N 1.470 121.369 120.300 -0.668 0.000 2.231 134 Y HA 0.295 4.845 4.550 0.000 0.000 0.294 134 Y C 2.127 177.765 175.900 -0.437 0.000 1.120 134 Y CA 0.677 58.394 58.100 -0.638 0.000 1.141 134 Y CB -0.224 37.744 38.460 -0.819 0.000 1.022 134 Y HN 0.109 nan 8.280 nan 0.000 0.523 135 L N -0.181 120.945 121.223 -0.162 0.000 2.046 135 L HA -0.225 4.115 4.340 0.001 0.000 0.208 135 L C 2.466 179.155 176.870 -0.303 0.000 1.077 135 L CA 1.161 55.898 54.840 -0.171 0.000 0.747 135 L CB -0.533 41.441 42.059 -0.142 0.000 0.896 135 L HN 0.128 nan 8.230 nan 0.000 0.432 136 R N 0.207 120.481 120.500 -0.376 0.000 2.152 136 R HA -0.072 4.269 4.340 0.001 0.000 0.232 136 R C 2.183 178.270 176.300 -0.355 0.000 1.117 136 R CA 1.325 57.173 56.100 -0.419 0.000 0.981 136 R CB -0.736 29.311 30.300 -0.422 0.000 0.870 136 R HN 0.378 nan 8.270 nan 0.000 0.451 137 A N 0.825 123.420 122.820 -0.376 0.000 1.898 137 A HA -0.138 4.183 4.320 0.001 0.000 0.214 137 A C 2.194 179.572 177.584 -0.343 0.000 1.183 137 A CA 0.949 52.768 52.037 -0.363 0.000 0.622 137 A CB -0.354 18.377 19.000 -0.449 0.000 0.824 137 A HN 0.324 nan 8.150 nan 0.000 0.444 138 Q N -0.212 119.356 119.800 -0.387 0.000 2.050 138 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 138 Q C 2.119 177.998 176.000 -0.200 0.000 0.980 138 Q CA 1.710 57.338 55.803 -0.291 0.000 0.840 138 Q CB -0.370 28.229 28.738 -0.232 0.000 0.898 138 Q HN 0.568 nan 8.270 nan 0.000 0.424 139 A N 0.420 123.113 122.820 -0.211 0.000 2.024 139 A HA -0.127 4.194 4.320 0.001 0.000 0.220 139 A C 1.758 179.248 177.584 -0.157 0.000 1.164 139 A CA 1.145 53.075 52.037 -0.180 0.000 0.643 139 A CB -0.344 18.513 19.000 -0.239 0.000 0.806 139 A HN 0.468 nan 8.150 nan 0.000 0.451 140 L N -1.733 119.385 121.223 -0.174 0.000 2.640 140 L HA 0.279 4.619 4.340 0.001 0.000 0.230 140 L C 1.536 178.332 176.870 -0.123 0.000 1.123 140 L CA 0.413 55.168 54.840 -0.141 0.000 0.900 140 L CB 0.099 42.067 42.059 -0.152 0.000 1.146 140 L HN 0.515 nan 8.230 nan 0.000 0.484 141 G N 0.501 109.222 108.800 -0.132 0.000 2.153 141 G HA2 -0.313 3.647 3.960 0.001 0.000 0.252 141 G HA3 -0.313 3.647 3.960 0.001 0.000 0.252 141 G C 0.243 175.074 174.900 -0.114 0.000 0.994 141 G CA 0.264 45.298 45.100 -0.110 0.000 0.698 141 G HN 0.271 nan 8.290 nan 0.000 0.521 142 M N 0.348 119.860 119.600 -0.147 0.000 2.283 142 M HA 0.538 5.019 4.480 0.001 0.000 0.314 142 M C 1.408 177.625 176.300 -0.139 0.000 1.153 142 M CA 0.148 55.366 55.300 -0.137 0.000 1.084 142 M CB 0.725 33.230 32.600 -0.157 0.000 1.468 142 M HN 0.213 nan 8.290 nan 0.000 0.474 143 G N 0.544 109.312 108.800 -0.054 0.000 2.636 143 G HA2 0.149 4.110 3.960 0.001 0.000 0.246 143 G HA3 0.149 4.110 3.960 0.001 0.000 0.246 143 G C 0.198 175.053 174.900 -0.075 0.000 1.216 143 G CA -0.596 44.533 45.100 0.049 0.000 0.854 143 G HN 0.633 nan 8.290 nan 0.000 0.572 144 K N 0.126 120.367 120.400 -0.265 0.000 2.520 144 K HA 0.082 4.402 4.320 0.001 0.000 0.205 144 K C 1.331 177.559 176.600 -0.621 0.000 1.035 144 K CA -0.116 55.788 56.287 -0.638 0.000 1.188 144 K CB -0.106 31.780 32.500 -1.023 0.000 0.894 144 K HN 0.592 nan 8.250 nan 0.000 0.497 145 H N 0.284 119.187 119.070 -0.277 0.000 2.390 145 H HA -0.094 4.462 4.556 0.001 0.000 0.298 145 H C 1.657 176.917 175.328 -0.112 0.000 1.106 145 H CA 1.929 57.913 56.048 -0.107 0.000 1.297 145 H CB -0.287 29.438 29.762 -0.061 0.000 1.375 145 H HN 0.099 nan 8.280 nan 0.000 0.509 146 T N -0.032 114.486 114.554 -0.059 0.000 2.857 146 T HA -0.045 4.306 4.350 0.001 0.000 0.266 146 T C 2.335 177.022 174.700 -0.022 0.000 1.048 146 T CA 0.967 63.032 62.100 -0.059 0.000 1.139 146 T CB -0.348 68.443 68.868 -0.129 0.000 0.874 146 T HN 0.519 nan 8.240 nan 0.000 0.455 147 A N 0.793 123.496 122.820 -0.196 0.000 1.855 147 A HA -0.058 4.263 4.320 0.001 0.000 0.215 147 A C 2.128 179.956 177.584 0.406 0.000 1.191 147 A CA 1.134 53.106 52.037 -0.108 0.000 0.613 147 A CB -1.178 17.488 19.000 -0.558 0.000 0.829 147 A HN 0.714 nan 8.150 nan 0.000 0.442 148 W N -0.361 121.095 121.300 0.260 0.000 2.335 148 W HA -0.144 4.517 4.660 0.001 0.000 0.311 148 W C 2.788 179.383 176.519 0.126 0.000 1.213 148 W CA 0.641 58.096 57.345 0.184 0.000 1.274 148 W CB -0.174 29.294 29.460 0.014 0.000 1.148 148 W HN 0.422 nan 8.180 nan 0.000 0.498 149 A N 0.004 123.011 122.820 0.312 0.000 1.933 149 A HA -0.241 4.080 4.320 0.001 0.000 0.218 149 A C 1.740 179.502 177.584 0.297 0.000 1.175 149 A CA 1.364 53.507 52.037 0.176 0.000 0.628 149 A CB -1.130 17.921 19.000 0.084 0.000 0.814 149 A HN 0.353 nan 8.150 nan 0.000 0.444 150 F N 0.530 120.595 119.950 0.192 0.000 2.216 150 F HA -0.071 4.456 4.527 0.001 0.000 0.300 150 F C 1.838 177.764 175.800 0.210 0.000 1.085 150 F CA 0.773 58.899 58.000 0.210 0.000 1.326 150 F CB -0.581 38.588 39.000 0.282 0.000 1.027 150 F HN 0.150 nan 8.300 nan 0.000 0.497 151 L N -0.889 120.506 121.223 0.287 0.000 2.083 151 L HA -0.238 4.102 4.340 0.001 0.000 0.209 151 L C 2.741 179.667 176.870 0.093 0.000 1.083 151 L CA 1.578 56.442 54.840 0.040 0.000 0.752 151 L CB -0.811 41.333 42.059 0.141 0.000 0.899 151 L HN 0.196 nan 8.230 nan 0.000 0.433 152 S N -0.380 115.407 115.700 0.145 0.000 2.370 152 S HA -0.200 4.271 4.470 0.001 0.000 0.226 152 S C 2.066 176.805 174.600 0.232 0.000 1.033 152 S CA 1.336 59.630 58.200 0.157 0.000 1.011 152 S CB -0.018 63.237 63.200 0.092 0.000 0.852 152 S HN 0.470 nan 8.310 nan 0.000 0.457 153 A N 1.116 124.059 122.820 0.205 0.000 1.897 153 A HA 0.113 4.433 4.320 0.001 0.000 0.215 153 A C 2.127 179.807 177.584 0.161 0.000 1.181 153 A CA 1.239 53.398 52.037 0.204 0.000 0.620 153 A CB -0.717 18.441 19.000 0.264 0.000 0.821 153 A HN 0.605 nan 8.150 nan 0.000 0.443 154 I N -1.015 119.567 120.570 0.020 0.000 2.286 154 I HA -0.286 3.884 4.170 0.001 0.000 0.248 154 I C 2.484 178.723 176.117 0.204 0.000 1.115 154 I CA 1.373 62.648 61.300 -0.042 0.000 1.392 154 I CB -0.275 37.388 38.000 -0.562 0.000 1.065 154 I HN 0.780 nan 8.210 nan 0.000 0.418 155 W N 1.651 122.963 121.300 0.021 0.000 2.338 155 W HA -0.252 4.409 4.660 0.001 0.000 0.304 155 W C 2.155 178.722 176.519 0.082 0.000 1.212 155 W CA 1.333 58.709 57.345 0.052 0.000 1.264 155 W CB -0.383 29.096 29.460 0.031 0.000 1.142 155 W HN 0.148 nan 8.180 nan 0.000 0.512 156 L N 0.366 121.581 121.223 -0.013 0.000 2.027 156 L HA -0.208 4.133 4.340 0.001 0.000 0.206 156 L C 2.507 179.345 176.870 -0.053 0.000 1.074 156 L CA 2.494 57.246 54.840 -0.147 0.000 0.745 156 L CB -1.161 40.926 42.059 0.047 0.000 0.898 156 L HN 0.179 nan 8.230 nan 0.000 0.433 157 W N 0.571 121.825 121.300 -0.076 0.000 2.335 157 W HA -0.271 4.389 4.660 0.000 0.000 0.311 157 W C 2.389 178.940 176.519 0.055 0.000 1.213 157 W CA 1.454 58.783 57.345 -0.027 0.000 1.274 157 W CB -0.269 29.164 29.460 -0.045 0.000 1.148 157 W HN 0.057 nan 8.180 nan 0.000 0.498 158 M N 0.114 119.581 119.600 -0.222 0.000 2.117 158 M HA -0.175 4.305 4.480 0.001 0.000 0.262 158 M C 1.951 178.148 176.300 -0.172 0.000 1.065 158 M CA 1.484 56.617 55.300 -0.279 0.000 1.114 158 M CB -1.628 30.951 32.600 -0.034 0.000 1.361 158 M HN -0.027 nan 8.290 nan 0.000 0.408 159 V N 0.576 120.298 119.914 -0.320 0.000 2.343 159 V HA -0.263 3.858 4.120 0.001 0.000 0.247 159 V C 2.507 178.493 176.094 -0.181 0.000 1.051 159 V CA 1.422 63.514 62.300 -0.346 0.000 1.036 159 V CB -0.638 30.801 31.823 -0.640 0.000 0.654 159 V HN 0.393 nan 8.190 nan 0.000 0.451 160 L N 0.172 121.287 121.223 -0.181 0.000 2.017 160 L HA -0.058 4.282 4.340 0.001 0.000 0.208 160 L C 2.293 179.069 176.870 -0.158 0.000 1.073 160 L CA 1.888 56.649 54.840 -0.132 0.000 0.745 160 L CB -0.733 41.238 42.059 -0.146 0.000 0.894 160 L HN 0.478 nan 8.230 nan 0.000 0.432 161 G N -2.794 105.843 108.800 -0.272 0.000 3.159 161 G HA2 0.126 4.087 3.960 0.001 0.000 0.232 161 G HA3 0.126 4.087 3.960 0.001 0.000 0.232 161 G C 0.713 175.190 174.900 -0.705 0.000 1.116 161 G CA -0.067 44.763 45.100 -0.451 0.000 0.767 161 G HN 0.213 nan 8.290 nan 0.000 0.547 162 F N -0.721 119.227 119.950 -0.002 0.000 1.964 162 F HA 0.353 4.880 4.527 0.001 0.000 0.248 162 F C 2.194 178.028 175.800 0.057 0.000 1.051 162 F CA -0.291 57.778 58.000 0.116 0.000 1.221 162 F CB -0.143 38.865 39.000 0.013 0.000 1.497 162 F HN -0.079 nan 8.300 nan 0.000 0.653 163 I N 0.777 121.453 120.570 0.176 0.000 2.127 163 I HA -0.286 3.885 4.170 0.001 0.000 0.241 163 I C 2.597 178.730 176.117 0.027 0.000 1.075 163 I CA 1.744 63.089 61.300 0.074 0.000 1.334 163 I CB -0.442 37.564 38.000 0.010 0.000 1.040 163 I HN 0.136 nan 8.210 nan 0.000 0.405 164 R N 1.010 121.516 120.500 0.009 0.000 2.073 164 R HA -0.137 4.203 4.340 0.001 0.000 0.234 164 R C -0.420 175.898 176.300 0.030 0.000 1.134 164 R CA 1.716 57.834 56.100 0.030 0.000 0.952 164 R CB -1.090 29.250 30.300 0.068 0.000 0.850 164 R HN 0.202 nan 8.270 nan 0.000 0.433 165 P HA -0.139 nan 4.420 nan 0.000 0.216 165 P C 1.035 178.230 177.300 -0.176 0.000 1.150 165 P CA 1.353 64.445 63.100 -0.015 0.000 0.837 165 P CB 0.006 31.758 31.700 0.086 0.000 0.786 166 I N -1.526 118.937 120.570 -0.180 0.000 2.252 166 I HA -0.193 3.977 4.170 0.001 0.000 0.245 166 I C 2.181 178.206 176.117 -0.153 0.000 1.102 166 I CA 1.209 62.358 61.300 -0.252 0.000 1.385 166 I CB -0.506 37.409 38.000 -0.141 0.000 1.064 166 I HN -0.103 nan 8.210 nan 0.000 0.414 167 L N -0.304 120.874 121.223 -0.075 0.000 2.141 167 L HA -0.178 4.162 4.340 0.001 0.000 0.209 167 L C 2.388 179.225 176.870 -0.055 0.000 1.094 167 L CA 0.897 55.709 54.840 -0.047 0.000 0.763 167 L CB -0.384 41.670 42.059 -0.009 0.000 0.908 167 L HN 0.303 nan 8.230 nan 0.000 0.437 168 M N -0.534 119.032 119.600 -0.057 0.000 2.562 168 M HA 0.108 4.588 4.480 0.001 0.000 0.257 168 M C 1.446 177.688 176.300 -0.096 0.000 1.099 168 M CA 0.845 56.114 55.300 -0.052 0.000 1.099 168 M CB -1.008 31.581 32.600 -0.018 0.000 1.427 168 M HN 0.390 nan 8.290 nan 0.000 0.489 169 G N 1.669 110.379 108.800 -0.150 0.000 2.221 169 G HA2 -0.204 3.756 3.960 0.001 0.000 0.265 169 G HA3 -0.204 3.756 3.960 0.001 0.000 0.265 169 G C 0.087 174.843 174.900 -0.240 0.000 1.041 169 G CA 0.597 45.578 45.100 -0.199 0.000 0.807 169 G HN 0.600 nan 8.290 nan 0.000 0.502 170 S N -2.092 113.439 115.700 -0.281 0.000 2.584 170 S HA 0.426 4.897 4.470 0.001 0.000 0.280 170 S C 0.564 175.037 174.600 -0.211 0.000 1.162 170 S CA 0.142 58.197 58.200 -0.242 0.000 0.951 170 S CB 0.380 63.515 63.200 -0.108 0.000 1.108 170 S HN 0.387 nan 8.310 nan 0.000 0.464 171 W N 2.709 123.963 121.300 -0.076 0.000 2.425 171 W HA -0.062 4.598 4.660 0.001 0.000 0.277 171 W C 2.620 178.981 176.519 -0.262 0.000 1.231 171 W CA 0.823 58.080 57.345 -0.145 0.000 1.248 171 W CB -0.017 29.360 29.460 -0.138 0.000 1.117 171 W HN 0.907 nan 8.180 nan 0.000 0.568 172 S N 0.129 115.843 115.700 0.023 0.000 2.465 172 S HA -0.209 4.262 4.470 0.001 0.000 0.241 172 S C 1.415 176.026 174.600 0.018 0.000 1.000 172 S CA 1.312 59.489 58.200 -0.038 0.000 0.964 172 S CB -0.303 62.898 63.200 0.001 0.000 0.763 172 S HN 0.244 nan 8.310 nan 0.000 0.512 173 E N 1.482 121.720 120.200 0.064 0.000 2.427 173 E HA 0.312 4.662 4.350 0.001 0.000 0.196 173 E C 1.118 177.887 176.600 0.282 0.000 1.028 173 E CA 0.568 57.077 56.400 0.183 0.000 0.864 173 E CB -0.301 29.484 29.700 0.141 0.000 0.813 173 E HN 0.748 nan 8.360 nan 0.000 0.514 174 A N 0.899 123.773 122.820 0.090 0.000 2.280 174 A HA 0.321 4.641 4.320 0.001 0.000 0.268 174 A C 0.355 177.786 177.584 -0.254 0.000 1.111 174 A CA -0.458 51.570 52.037 -0.015 0.000 0.814 174 A CB 0.573 19.609 19.000 0.060 0.000 1.093 174 A HN -0.040 nan 8.150 nan 0.000 0.498 175 V N 2.281 121.885 119.914 -0.517 0.000 2.546 175 V HA 0.352 4.472 4.120 0.001 0.000 0.284 175 V C -1.847 174.033 176.094 -0.356 0.000 1.050 175 V CA -1.079 60.692 62.300 -0.880 0.000 0.981 175 V CB 0.952 32.202 31.823 -0.955 0.000 0.990 175 V HN 0.868 nan 8.190 nan 0.000 0.474 176 P HA 0.286 nan 4.420 nan 0.000 0.278 176 P C -1.531 175.724 177.300 -0.075 0.000 1.258 176 P CA -0.543 62.530 63.100 -0.044 0.000 0.811 176 P CB 0.729 32.466 31.700 0.062 0.000 1.063 177 Y N 0.161 120.664 120.300 0.339 0.000 2.518 177 Y HA 0.596 5.146 4.550 0.001 0.000 0.344 177 Y C 1.256 177.358 175.900 0.336 0.000 0.982 177 Y CA 0.372 58.618 58.100 0.244 0.000 1.234 177 Y CB 0.549 39.085 38.460 0.128 0.000 1.114 177 Y HN 0.566 nan 8.280 nan 0.000 0.515 178 G N 2.042 111.081 108.800 0.397 0.000 2.655 178 G HA2 0.315 4.275 3.960 0.001 0.000 0.296 178 G HA3 0.315 4.275 3.960 0.001 0.000 0.296 178 G C -0.128 174.976 174.900 0.341 0.000 1.485 178 G CA -0.777 44.569 45.100 0.410 0.000 0.869 178 G HN 0.253 nan 8.290 nan 0.000 0.540 179 I N 0.807 121.542 120.570 0.275 0.000 2.113 179 I HA -0.004 4.166 4.170 0.001 0.000 0.238 179 I C 2.415 178.816 176.117 0.473 0.000 1.070 179 I CA 1.376 62.864 61.300 0.314 0.000 1.332 179 I CB -0.960 37.151 38.000 0.185 0.000 1.044 179 I HN 0.452 nan 8.210 nan 0.000 0.402 180 F N 1.526 121.546 119.950 0.117 0.000 2.293 180 F HA -0.059 4.468 4.527 0.001 0.000 0.297 180 F C 2.937 178.780 175.800 0.072 0.000 1.089 180 F CA 0.876 58.871 58.000 -0.008 0.000 1.377 180 F CB -1.605 37.262 39.000 -0.222 0.000 1.051 180 F HN 0.171 nan 8.300 nan 0.000 0.511 181 S N 0.281 116.181 115.700 0.333 0.000 2.368 181 S HA -0.252 4.219 4.470 0.001 0.000 0.225 181 S C 2.094 176.894 174.600 0.334 0.000 1.030 181 S CA 1.619 59.992 58.200 0.290 0.000 0.999 181 S CB -1.234 62.129 63.200 0.272 0.000 0.844 181 S HN 0.632 nan 8.310 nan 0.000 0.459 182 H N 1.855 121.062 119.070 0.228 0.000 2.524 182 H HA 0.187 4.743 4.556 0.001 0.000 0.282 182 H C 1.849 177.344 175.328 0.279 0.000 1.016 182 H CA 1.034 57.216 56.048 0.223 0.000 1.270 182 H CB -0.505 29.339 29.762 0.137 0.000 1.394 182 H HN 0.449 nan 8.280 nan 0.000 0.568 183 L N 0.608 121.767 121.223 -0.105 0.000 2.068 183 L HA -0.093 4.248 4.340 0.001 0.000 0.204 183 L C 2.237 179.123 176.870 0.027 0.000 1.076 183 L CA 1.081 55.835 54.840 -0.144 0.000 0.753 183 L CB -0.315 41.673 42.059 -0.119 0.000 0.910 183 L HN 0.108 nan 8.230 nan 0.000 0.439 184 D N -0.345 120.106 120.400 0.084 0.000 2.123 184 D HA -0.256 4.384 4.640 0.001 0.000 0.196 184 D C 1.754 178.135 176.300 0.135 0.000 0.992 184 D CA 1.286 55.336 54.000 0.085 0.000 0.833 184 D CB -0.289 40.574 40.800 0.105 0.000 0.954 184 D HN 0.425 nan 8.370 nan 0.000 0.455 185 W N 1.716 123.048 121.300 0.053 0.000 2.358 185 W HA -0.210 4.451 4.660 0.000 0.000 0.303 185 W C 2.267 178.848 176.519 0.102 0.000 1.208 185 W CA 2.119 59.518 57.345 0.089 0.000 1.274 185 W CB -0.383 29.143 29.460 0.110 0.000 1.138 185 W HN -0.159 nan 8.180 nan 0.000 0.515 186 T N 0.350 115.096 114.554 0.319 0.000 2.746 186 T HA -0.271 4.079 4.350 0.001 0.000 0.267 186 T C 1.434 176.113 174.700 -0.034 0.000 1.039 186 T CA 1.764 63.943 62.100 0.131 0.000 1.142 186 T CB -0.650 68.312 68.868 0.157 0.000 0.866 186 T HN 0.249 nan 8.240 nan 0.000 0.444 187 N N 1.590 120.274 118.700 -0.025 0.000 2.084 187 N HA -0.117 4.623 4.740 0.001 0.000 0.190 187 N C 1.708 177.174 175.510 -0.074 0.000 1.030 187 N CA 1.613 54.630 53.050 -0.055 0.000 0.849 187 N CB -0.516 37.943 38.487 -0.047 0.000 1.012 187 N HN 0.270 nan 8.380 nan 0.000 0.423 188 N N -0.813 117.829 118.700 -0.095 0.000 2.166 188 N HA -0.152 4.589 4.740 0.001 0.000 0.186 188 N C 1.516 176.930 175.510 -0.161 0.000 1.019 188 N CA 0.988 53.960 53.050 -0.129 0.000 0.856 188 N CB -0.498 37.903 38.487 -0.143 0.000 0.993 188 N HN 0.311 nan 8.380 nan 0.000 0.426 189 F N 0.467 120.159 119.950 -0.431 0.000 2.126 189 F HA -0.140 4.387 4.527 0.000 0.000 0.299 189 F C 2.682 178.424 175.800 -0.097 0.000 1.096 189 F CA 1.558 59.322 58.000 -0.394 0.000 1.255 189 F CB -0.838 37.687 39.000 -0.792 0.000 0.997 189 F HN 0.046 nan 8.300 nan 0.000 0.479 190 S N -0.101 115.659 115.700 0.101 0.000 2.355 190 S HA -0.132 4.338 4.470 0.001 0.000 0.222 190 S C 2.014 176.614 174.600 -0.000 0.000 1.031 190 S CA 1.206 59.428 58.200 0.036 0.000 0.993 190 S CB -0.512 62.624 63.200 -0.106 0.000 0.859 190 S HN 0.247 nan 8.310 nan 0.000 0.453 191 L N 1.670 122.865 121.223 -0.048 0.000 1.989 191 L HA -0.036 4.305 4.340 0.001 0.000 0.211 191 L C 2.556 179.375 176.870 -0.086 0.000 1.071 191 L CA 1.463 56.269 54.840 -0.057 0.000 0.749 191 L CB -1.475 40.541 42.059 -0.071 0.000 0.890 191 L HN 0.195 nan 8.230 nan 0.000 0.431 192 V N -0.994 118.826 119.914 -0.158 0.000 2.469 192 V HA -0.274 3.847 4.120 0.001 0.000 0.251 192 V C 1.563 177.399 176.094 -0.430 0.000 1.064 192 V CA 1.593 63.709 62.300 -0.307 0.000 1.066 192 V CB -0.831 30.736 31.823 -0.427 0.000 0.667 192 V HN 0.559 nan 8.190 nan 0.000 0.461 193 H N -0.644 118.306 119.070 -0.200 0.000 2.505 193 H HA 0.456 5.013 4.556 0.001 0.000 0.289 193 H C 1.436 176.802 175.328 0.064 0.000 1.052 193 H CA 0.401 56.381 56.048 -0.114 0.000 1.156 193 H CB 0.097 29.786 29.762 -0.122 0.000 1.507 193 H HN 0.387 nan 8.280 nan 0.000 0.548 194 G N 1.760 110.632 108.800 0.121 0.000 2.225 194 G HA2 -0.342 3.618 3.960 0.001 0.000 0.264 194 G HA3 -0.342 3.618 3.960 0.001 0.000 0.264 194 G C -0.435 174.657 174.900 0.319 0.000 1.060 194 G CA 0.100 45.315 45.100 0.192 0.000 0.833 194 G HN 0.640 nan 8.290 nan 0.000 0.498 195 N N -1.692 117.134 118.700 0.210 0.000 2.883 195 N HA -0.145 4.595 4.740 0.001 0.000 0.277 195 N C 0.998 176.580 175.510 0.119 0.000 1.707 195 N CA 0.829 53.958 53.050 0.132 0.000 1.494 195 N CB -1.009 37.619 38.487 0.235 0.000 0.821 195 N HN 0.508 nan 8.380 nan 0.000 0.482 196 L N 2.880 124.005 121.223 -0.163 0.000 2.456 196 L HA -0.080 4.260 4.340 0.001 0.000 0.224 196 L C 1.633 178.306 176.870 -0.328 0.000 1.148 196 L CA 0.623 55.255 54.840 -0.346 0.000 0.825 196 L CB -0.331 41.319 42.059 -0.681 0.000 0.937 196 L HN 0.435 nan 8.230 nan 0.000 0.450 197 F N -1.089 118.713 119.950 -0.247 0.000 2.408 197 F HA -0.183 4.345 4.527 0.001 0.000 0.300 197 F C 1.724 177.389 175.800 -0.226 0.000 1.090 197 F CA 0.744 58.613 58.000 -0.218 0.000 1.427 197 F CB -0.676 38.138 39.000 -0.309 0.000 1.070 197 F HN 0.097 nan 8.300 nan 0.000 0.549 198 Y N -1.473 118.969 120.300 0.237 0.000 2.457 198 Y HA 0.115 4.665 4.550 0.000 0.000 0.263 198 Y C 1.057 177.041 175.900 0.141 0.000 1.164 198 Y CA -0.550 57.713 58.100 0.271 0.000 1.274 198 Y CB -0.502 38.209 38.460 0.417 0.000 1.097 198 Y HN -0.167 nan 8.280 nan 0.000 0.523 199 N N 2.641 121.269 118.700 -0.121 0.000 2.430 199 N HA 0.048 4.788 4.740 0.001 0.000 0.265 199 N C -1.758 173.527 175.510 -0.376 0.000 1.100 199 N CA -1.882 50.680 53.050 -0.813 0.000 0.961 199 N CB 1.434 39.135 38.487 -1.310 0.000 1.075 199 N HN 0.013 nan 8.380 nan 0.000 0.478 200 P HA -0.123 nan 4.420 nan 0.000 0.215 200 P C 1.166 178.288 177.300 -0.297 0.000 1.153 200 P CA 1.224 64.172 63.100 -0.254 0.000 0.853 200 P CB 0.002 31.529 31.700 -0.289 0.000 0.788 201 F N -0.701 119.122 119.950 -0.211 0.000 2.365 201 F HA -0.117 4.411 4.527 0.001 0.000 0.300 201 F C 2.787 178.556 175.800 -0.052 0.000 1.090 201 F CA 1.077 59.021 58.000 -0.093 0.000 1.408 201 F CB -1.238 37.707 39.000 -0.091 0.000 1.060 201 F HN 0.125 nan 8.300 nan 0.000 0.534 202 H N -0.372 118.660 119.070 -0.064 0.000 2.436 202 H HA -0.010 4.546 4.556 0.001 0.000 0.294 202 H C 2.344 177.656 175.328 -0.027 0.000 1.048 202 H CA 1.269 57.287 56.048 -0.050 0.000 1.353 202 H CB -0.218 29.473 29.762 -0.119 0.000 1.414 202 H HN 0.321 nan 8.280 nan 0.000 0.536 203 G N 0.879 109.681 108.800 0.004 0.000 2.408 203 G HA2 -0.140 3.820 3.960 0.001 0.000 0.217 203 G HA3 -0.140 3.820 3.960 0.001 0.000 0.217 203 G C 1.950 176.767 174.900 -0.139 0.000 1.150 203 G CA 0.339 45.401 45.100 -0.062 0.000 0.776 203 G HN 0.314 nan 8.290 nan 0.000 0.542 204 L N 0.481 121.650 121.223 -0.090 0.000 2.056 204 L HA -0.043 4.297 4.340 0.001 0.000 0.207 204 L C 3.090 179.949 176.870 -0.020 0.000 1.078 204 L CA 1.198 55.983 54.840 -0.092 0.000 0.749 204 L CB -0.415 41.704 42.059 0.100 0.000 0.901 204 L HN 0.325 nan 8.230 nan 0.000 0.433 205 S N 0.201 115.952 115.700 0.084 0.000 2.370 205 S HA -0.179 4.292 4.470 0.001 0.000 0.226 205 S C 1.973 176.532 174.600 -0.068 0.000 1.033 205 S CA 1.283 59.552 58.200 0.116 0.000 1.011 205 S CB -0.229 62.988 63.200 0.029 0.000 0.852 205 S HN 0.292 nan 8.310 nan 0.000 0.457 206 I N 1.319 121.719 120.570 -0.283 0.000 2.252 206 I HA -0.140 4.030 4.170 0.001 0.000 0.245 206 I C 2.772 178.565 176.117 -0.539 0.000 1.102 206 I CA 0.986 61.986 61.300 -0.500 0.000 1.385 206 I CB -0.565 37.090 38.000 -0.575 0.000 1.064 206 I HN 0.376 nan 8.210 nan 0.000 0.414 207 A N 0.981 123.565 122.820 -0.392 0.000 1.908 207 A HA -0.227 4.093 4.320 0.001 0.000 0.218 207 A C 2.008 179.434 177.584 -0.264 0.000 1.181 207 A CA 1.764 53.589 52.037 -0.354 0.000 0.627 207 A CB -0.922 17.769 19.000 -0.515 0.000 0.818 207 A HN 0.349 nan 8.150 nan 0.000 0.445 208 F N -1.044 118.907 119.950 0.002 0.000 2.259 208 F HA -0.003 4.524 4.527 0.000 0.000 0.298 208 F C 1.963 177.804 175.800 0.068 0.000 1.088 208 F CA 0.851 58.889 58.000 0.063 0.000 1.358 208 F CB -0.644 38.406 39.000 0.083 0.000 1.040 208 F HN 0.231 nan 8.300 nan 0.000 0.505 209 L N -0.940 120.376 121.223 0.155 0.000 2.027 209 L HA -0.208 4.132 4.340 0.001 0.000 0.206 209 L C 2.198 179.209 176.870 0.235 0.000 1.074 209 L CA 1.882 56.806 54.840 0.140 0.000 0.745 209 L CB -1.030 41.045 42.059 0.028 0.000 0.898 209 L HN 0.038 nan 8.230 nan 0.000 0.433 210 Y N 0.086 120.432 120.300 0.078 0.000 2.145 210 Y HA -0.017 4.533 4.550 0.000 0.000 0.286 210 Y C 2.596 178.541 175.900 0.076 0.000 1.145 210 Y CA 0.839 58.974 58.100 0.058 0.000 1.148 210 Y CB -1.585 36.886 38.460 0.018 0.000 0.981 210 Y HN 0.242 nan 8.280 nan 0.000 0.507 211 G N -1.321 107.631 108.800 0.254 0.000 2.448 211 G HA2 -0.202 3.758 3.960 0.001 0.000 0.219 211 G HA3 -0.202 3.758 3.960 0.001 0.000 0.219 211 G C 1.923 176.942 174.900 0.199 0.000 1.127 211 G CA 1.196 46.414 45.100 0.197 0.000 0.766 211 G HN 0.377 nan 8.290 nan 0.000 0.552 212 S N 0.747 116.582 115.700 0.226 0.000 2.371 212 S HA 0.073 4.543 4.470 0.001 0.000 0.224 212 S C 2.775 177.507 174.600 0.221 0.000 1.029 212 S CA 1.007 59.330 58.200 0.205 0.000 0.978 212 S CB -0.254 63.069 63.200 0.204 0.000 0.833 212 S HN 0.552 nan 8.310 nan 0.000 0.466 213 A N 1.225 124.174 122.820 0.215 0.000 1.969 213 A HA 0.024 4.344 4.320 0.001 0.000 0.218 213 A C 2.085 179.767 177.584 0.163 0.000 1.169 213 A CA 1.109 53.262 52.037 0.194 0.000 0.635 213 A CB -0.564 18.530 19.000 0.156 0.000 0.810 213 A HN 0.431 nan 8.150 nan 0.000 0.445 214 L N -0.800 120.506 121.223 0.140 0.000 2.005 214 L HA -0.064 4.276 4.340 0.001 0.000 0.207 214 L C 2.180 179.104 176.870 0.088 0.000 1.072 214 L CA 2.086 56.985 54.840 0.099 0.000 0.744 214 L CB -0.619 41.488 42.059 0.079 0.000 0.895 214 L HN 0.281 nan 8.230 nan 0.000 0.433 215 L N -1.460 119.814 121.223 0.086 0.000 2.093 215 L HA -0.133 4.207 4.340 0.001 0.000 0.208 215 L C 2.237 179.195 176.870 0.148 0.000 1.085 215 L CA 1.622 56.481 54.840 0.032 0.000 0.755 215 L CB -0.865 41.195 42.059 0.002 0.000 0.904 215 L HN 0.313 nan 8.230 nan 0.000 0.435 216 F N 0.044 120.027 119.950 0.054 0.000 2.259 216 F HA 0.040 4.567 4.527 0.001 0.000 0.298 216 F C 2.358 178.198 175.800 0.067 0.000 1.088 216 F CA 0.601 58.650 58.000 0.081 0.000 1.358 216 F CB -0.900 38.152 39.000 0.086 0.000 1.040 216 F HN 0.186 nan 8.300 nan 0.000 0.505 217 A N -0.136 122.828 122.820 0.240 0.000 1.898 217 A HA -0.189 4.131 4.320 0.001 0.000 0.216 217 A C 2.340 180.005 177.584 0.135 0.000 1.181 217 A CA 1.601 53.707 52.037 0.114 0.000 0.620 217 A CB -0.625 18.429 19.000 0.089 0.000 0.819 217 A HN 0.362 nan 8.150 nan 0.000 0.442 218 M N -1.891 117.800 119.600 0.152 0.000 2.059 218 M HA -0.164 4.317 4.480 0.001 0.000 0.259 218 M C 2.346 178.763 176.300 0.196 0.000 1.072 218 M CA 2.170 57.567 55.300 0.162 0.000 1.117 218 M CB -0.548 32.001 32.600 -0.086 0.000 1.320 218 M HN 0.688 nan 8.290 nan 0.000 0.408 219 H N -0.117 118.989 119.070 0.060 0.000 2.353 219 H HA -0.053 4.503 4.556 0.001 0.000 0.300 219 H C 1.915 177.324 175.328 0.136 0.000 1.090 219 H CA 2.119 58.206 56.048 0.065 0.000 1.327 219 H CB -0.646 29.119 29.762 0.006 0.000 1.383 219 H HN 0.351 nan 8.280 nan 0.000 0.508 220 G N -0.189 108.687 108.800 0.126 0.000 2.418 220 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 220 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 220 G C 1.889 176.725 174.900 -0.106 0.000 1.158 220 G CA 1.001 46.070 45.100 -0.052 0.000 0.771 220 G HN 0.610 nan 8.290 nan 0.000 0.545 221 A N -0.000 122.790 122.820 -0.049 0.000 2.014 221 A HA 0.084 4.404 4.320 0.001 0.000 0.218 221 A C 2.502 180.026 177.584 -0.100 0.000 1.163 221 A CA 2.239 54.230 52.037 -0.078 0.000 0.652 221 A CB -0.625 18.348 19.000 -0.045 0.000 0.808 221 A HN 0.300 nan 8.150 nan 0.000 0.449 222 T N 0.601 115.130 114.554 -0.041 0.000 2.701 222 T HA -0.084 4.266 4.350 0.001 0.000 0.263 222 T C 1.808 176.464 174.700 -0.073 0.000 1.040 222 T CA 1.364 63.443 62.100 -0.035 0.000 1.147 222 T CB -0.275 68.701 68.868 0.179 0.000 0.865 222 T HN 0.276 nan 8.240 nan 0.000 0.426 223 I N 1.405 121.899 120.570 -0.127 0.000 2.194 223 I HA -0.119 4.051 4.170 0.001 0.000 0.246 223 I C 2.371 178.433 176.117 -0.093 0.000 1.093 223 I CA 1.357 62.588 61.300 -0.115 0.000 1.355 223 I CB -1.310 36.568 38.000 -0.203 0.000 1.046 223 I HN 0.272 nan 8.210 nan 0.000 0.413 224 L N 0.347 121.494 121.223 -0.128 0.000 2.141 224 L HA -0.156 4.185 4.340 0.001 0.000 0.209 224 L C 2.676 179.468 176.870 -0.130 0.000 1.094 224 L CA 1.161 55.917 54.840 -0.140 0.000 0.763 224 L CB -0.636 41.319 42.059 -0.173 0.000 0.908 224 L HN 0.192 nan 8.230 nan 0.000 0.437 225 A N -0.073 122.673 122.820 -0.123 0.000 2.015 225 A HA -0.094 4.226 4.320 0.001 0.000 0.219 225 A C 1.795 179.356 177.584 -0.037 0.000 1.163 225 A CA 1.605 53.573 52.037 -0.116 0.000 0.646 225 A CB -0.423 18.469 19.000 -0.180 0.000 0.806 225 A HN 0.352 nan 8.150 nan 0.000 0.448 226 V N -2.119 117.806 119.914 0.018 0.000 3.121 226 V HA 0.183 4.303 4.120 0.001 0.000 0.344 226 V C 1.346 177.501 176.094 0.102 0.000 1.390 226 V CA 0.738 63.155 62.300 0.194 0.000 1.177 226 V CB -0.671 31.303 31.823 0.253 0.000 1.163 226 V HN 0.509 nan 8.190 nan 0.000 0.484 227 S N 1.851 117.528 115.700 -0.038 0.000 2.481 227 S HA -0.156 4.315 4.470 0.001 0.000 0.231 227 S C 1.872 176.401 174.600 -0.119 0.000 0.996 227 S CA 0.938 59.105 58.200 -0.054 0.000 0.942 227 S CB -0.625 62.529 63.200 -0.077 0.000 0.768 227 S HN 0.868 nan 8.310 nan 0.000 0.520 228 R N -0.052 120.273 120.500 -0.291 0.000 2.339 228 R HA 0.124 4.465 4.340 0.001 0.000 0.199 228 R C 0.019 175.940 176.300 -0.632 0.000 1.018 228 R CA 0.703 56.510 56.100 -0.489 0.000 1.036 228 R CB -0.590 29.299 30.300 -0.685 0.000 0.899 228 R HN 0.529 nan 8.270 nan 0.000 0.473 229 F N 0.127 120.075 119.950 -0.004 0.000 2.791 229 F HA 0.438 4.966 4.527 0.001 0.000 0.316 229 F C 1.090 176.891 175.800 0.001 0.000 1.134 229 F CA -0.456 57.544 58.000 -0.001 0.000 1.222 229 F CB 1.138 40.135 39.000 -0.005 0.000 1.034 229 F HN 0.173 nan 8.300 nan 0.000 0.516 230 G N 0.676 109.535 108.800 0.098 0.000 2.198 230 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 230 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 230 G C 1.457 176.404 174.900 0.079 0.000 1.025 230 G CA 0.295 45.437 45.100 0.070 0.000 0.769 230 G HN 0.703 nan 8.290 nan 0.000 0.507 231 G N 0.938 109.797 108.800 0.099 0.000 2.450 231 G HA2 -0.131 3.830 3.960 0.001 0.000 0.220 231 G HA3 -0.131 3.830 3.960 0.001 0.000 0.220 231 G C 1.477 176.413 174.900 0.060 0.000 1.130 231 G CA 1.478 46.632 45.100 0.089 0.000 0.760 231 G HN 0.878 nan 8.290 nan 0.000 0.557 232 E N 0.922 121.141 120.200 0.032 0.000 2.418 232 E HA -0.083 4.268 4.350 0.001 0.000 0.197 232 E C 1.050 177.670 176.600 0.033 0.000 1.026 232 E CA 0.132 56.548 56.400 0.026 0.000 0.862 232 E CB -0.211 29.487 29.700 -0.005 0.000 0.799 232 E HN 0.317 nan 8.360 nan 0.000 0.518 233 R N 1.603 122.123 120.500 0.033 0.000 4.496 233 R HA 0.130 4.470 4.340 0.001 0.000 0.211 233 R C 0.889 177.206 176.300 0.029 0.000 1.738 233 R CA -0.048 56.065 56.100 0.022 0.000 1.528 233 R CB 0.030 30.342 30.300 0.021 0.000 1.414 233 R HN 0.260 nan 8.270 nan 0.000 0.812 234 E N 0.674 120.896 120.200 0.036 0.000 2.118 234 E HA -0.247 4.103 4.350 0.001 0.000 0.195 234 E C 1.360 177.961 176.600 0.002 0.000 0.992 234 E CA 1.142 57.571 56.400 0.047 0.000 0.804 234 E CB -0.026 29.720 29.700 0.075 0.000 0.741 234 E HN 0.474 nan 8.360 nan 0.000 0.458 235 L N 0.678 121.882 121.223 -0.032 0.000 2.042 235 L HA -0.223 4.118 4.340 0.001 0.000 0.210 235 L C 2.612 179.472 176.870 -0.016 0.000 1.076 235 L CA 1.241 56.055 54.840 -0.043 0.000 0.749 235 L CB -0.246 41.780 42.059 -0.055 0.000 0.893 235 L HN 0.093 nan 8.230 nan 0.000 0.432 236 E N -0.384 119.813 120.200 -0.005 0.000 2.107 236 E HA -0.191 4.160 4.350 0.001 0.000 0.191 236 E C 2.215 178.824 176.600 0.014 0.000 0.982 236 E CA 0.922 57.325 56.400 0.004 0.000 0.809 236 E CB 0.041 29.746 29.700 0.007 0.000 0.756 236 E HN 0.289 nan 8.360 nan 0.000 0.459 237 Q N -0.236 119.579 119.800 0.024 0.000 2.291 237 Q HA -0.087 4.254 4.340 0.001 0.000 0.206 237 Q C 2.177 178.197 176.000 0.033 0.000 0.976 237 Q CA 0.891 56.715 55.803 0.035 0.000 0.875 237 Q CB 0.038 28.809 28.738 0.054 0.000 0.927 237 Q HN 0.461 nan 8.270 nan 0.000 0.450 238 I N -0.185 120.401 120.570 0.026 0.000 2.400 238 I HA -0.139 4.032 4.170 0.001 0.000 0.248 238 I C 2.143 178.270 176.117 0.016 0.000 1.109 238 I CA 0.825 62.139 61.300 0.025 0.000 1.425 238 I CB -0.224 37.783 38.000 0.011 0.000 1.094 238 I HN 0.002 nan 8.210 nan 0.000 0.425 239 A N -0.756 122.068 122.820 0.008 0.000 2.067 239 A HA -0.108 4.213 4.320 0.001 0.000 0.217 239 A C 0.635 178.225 177.584 0.009 0.000 1.156 239 A CA 1.183 53.224 52.037 0.006 0.000 0.683 239 A CB -0.059 18.941 19.000 -0.001 0.000 0.808 239 A HN 0.377 nan 8.150 nan 0.000 0.455 240 D N -1.026 119.381 120.400 0.012 0.000 2.527 240 D HA 0.130 4.770 4.640 0.001 0.000 0.242 240 D C -0.378 175.931 176.300 0.015 0.000 1.285 240 D CA -0.442 53.566 54.000 0.012 0.000 0.886 240 D CB -0.002 40.804 40.800 0.010 0.000 1.402 240 D HN 0.228 nan 8.370 nan 0.000 0.528 241 R N 1.199 121.708 120.500 0.015 0.000 2.481 241 R HA 0.293 4.634 4.340 0.001 0.000 0.291 241 R C 0.332 176.635 176.300 0.005 0.000 0.934 241 R CA 0.763 56.872 56.100 0.014 0.000 1.116 241 R CB 0.242 30.550 30.300 0.013 0.000 0.895 241 R HN 0.399 nan 8.270 nan 0.000 0.410 242 G N 0.720 109.521 108.800 0.002 0.000 2.820 242 G HA2 0.094 4.055 3.960 0.001 0.000 0.291 242 G HA3 0.094 4.055 3.960 0.001 0.000 0.291 242 G C 0.462 175.327 174.900 -0.058 0.000 1.323 242 G CA -0.218 44.874 45.100 -0.012 0.000 1.055 242 G HN 0.578 nan 8.290 nan 0.000 0.520 243 T N -0.650 113.839 114.554 -0.108 0.000 2.962 243 T HA -0.018 4.333 4.350 0.001 0.000 0.270 243 T C 2.486 176.986 174.700 -0.334 0.000 1.088 243 T CA 2.272 64.226 62.100 -0.242 0.000 1.127 243 T CB -0.511 68.145 68.868 -0.353 0.000 0.883 243 T HN 0.643 nan 8.240 nan 0.000 0.493 244 A N 1.229 123.935 122.820 -0.190 0.000 1.845 244 A HA 0.210 4.530 4.320 0.001 0.000 0.215 244 A C 2.772 180.330 177.584 -0.042 0.000 1.195 244 A CA 1.988 53.986 52.037 -0.065 0.000 0.616 244 A CB -1.471 17.603 19.000 0.122 0.000 0.832 244 A HN 0.655 nan 8.150 nan 0.000 0.443 245 A N -0.246 122.567 122.820 -0.012 0.000 1.978 245 A HA -0.185 4.136 4.320 0.001 0.000 0.220 245 A C 1.918 179.488 177.584 -0.022 0.000 1.170 245 A CA 1.709 53.754 52.037 0.013 0.000 0.636 245 A CB -0.526 18.492 19.000 0.029 0.000 0.810 245 A HN 0.686 nan 8.150 nan 0.000 0.448 246 E N -0.417 119.738 120.200 -0.075 0.000 2.046 246 E HA -0.144 4.207 4.350 0.001 0.000 0.190 246 E C 2.272 178.779 176.600 -0.155 0.000 0.982 246 E CA 0.945 57.284 56.400 -0.102 0.000 0.800 246 E CB -0.221 29.410 29.700 -0.114 0.000 0.756 246 E HN 0.572 nan 8.360 nan 0.000 0.449 247 R N 0.778 121.158 120.500 -0.201 0.000 2.115 247 R HA -0.030 4.311 4.340 0.001 0.000 0.230 247 R C 2.358 178.579 176.300 -0.132 0.000 1.111 247 R CA 0.961 56.928 56.100 -0.223 0.000 0.976 247 R CB -0.267 29.873 30.300 -0.267 0.000 0.870 247 R HN 0.090 nan 8.270 nan 0.000 0.445 248 A N 1.584 124.375 122.820 -0.048 0.000 1.873 248 A HA -0.061 4.260 4.320 0.001 0.000 0.215 248 A C 2.421 180.088 177.584 0.139 0.000 1.186 248 A CA 1.539 53.612 52.037 0.060 0.000 0.616 248 A CB -0.621 18.442 19.000 0.105 0.000 0.823 248 A HN 0.357 nan 8.150 nan 0.000 0.442 249 A N -0.283 122.575 122.820 0.063 0.000 1.902 249 A HA -0.045 4.276 4.320 0.001 0.000 0.217 249 A C 2.156 179.716 177.584 -0.040 0.000 1.181 249 A CA 1.522 53.596 52.037 0.062 0.000 0.623 249 A CB -0.602 18.409 19.000 0.018 0.000 0.818 249 A HN 0.470 nan 8.150 nan 0.000 0.443 250 L N -1.997 119.088 121.223 -0.229 0.000 2.141 250 L HA -0.107 4.234 4.340 0.001 0.000 0.209 250 L C 2.441 178.902 176.870 -0.681 0.000 1.094 250 L CA 1.253 55.733 54.840 -0.600 0.000 0.763 250 L CB -0.509 41.007 42.059 -0.906 0.000 0.908 250 L HN 0.552 nan 8.230 nan 0.000 0.437 251 F N 0.008 119.643 119.950 -0.524 0.000 2.126 251 F HA -0.248 4.279 4.527 0.001 0.000 0.299 251 F C 1.951 177.472 175.800 -0.465 0.000 1.096 251 F CA 1.614 59.308 58.000 -0.509 0.000 1.255 251 F CB -0.318 38.331 39.000 -0.584 0.000 0.997 251 F HN -0.024 nan 8.300 nan 0.000 0.479 252 W N 0.523 121.796 121.300 -0.045 0.000 2.453 252 W HA 0.021 4.681 4.660 0.000 0.000 0.289 252 W C 2.774 179.177 176.519 -0.194 0.000 1.215 252 W CA 1.064 58.330 57.345 -0.133 0.000 1.297 252 W CB -0.469 28.933 29.460 -0.097 0.000 1.113 252 W HN -0.107 nan 8.180 nan 0.000 0.551 253 R N -0.217 120.302 120.500 0.033 0.000 2.081 253 R HA -0.184 4.156 4.340 0.001 0.000 0.235 253 R C 1.830 178.247 176.300 0.195 0.000 1.131 253 R CA 1.986 58.141 56.100 0.091 0.000 0.960 253 R CB -0.746 29.598 30.300 0.073 0.000 0.856 253 R HN 0.109 nan 8.270 nan 0.000 0.436 254 W N 0.455 121.687 121.300 -0.114 0.000 2.519 254 W HA 0.043 4.703 4.660 0.000 0.000 0.266 254 W C 1.974 178.365 176.519 -0.212 0.000 1.253 254 W CA 0.892 58.145 57.345 -0.153 0.000 1.274 254 W CB -0.783 28.564 29.460 -0.189 0.000 1.114 254 W HN 0.143 nan 8.180 nan 0.000 0.596 255 T N 0.259 114.748 114.554 -0.110 0.000 2.901 255 T HA -0.038 4.312 4.350 0.001 0.000 0.252 255 T C 1.631 176.340 174.700 0.014 0.000 1.035 255 T CA 1.520 63.507 62.100 -0.188 0.000 1.142 255 T CB -0.137 68.418 68.868 -0.522 0.000 0.869 255 T HN 0.165 nan 8.240 nan 0.000 0.442 256 M N -0.820 118.847 119.600 0.111 0.000 2.347 256 M HA 0.609 5.089 4.480 0.001 0.000 0.324 256 M C 1.322 177.804 176.300 0.304 0.000 1.028 256 M CA 0.123 55.548 55.300 0.208 0.000 0.988 256 M CB 0.940 33.699 32.600 0.266 0.000 1.528 256 M HN 0.266 nan 8.290 nan 0.000 0.550 257 G N 2.187 111.135 108.800 0.246 0.000 2.225 257 G HA2 -0.285 3.675 3.960 0.001 0.000 0.254 257 G HA3 -0.285 3.675 3.960 0.001 0.000 0.254 257 G C -0.167 174.963 174.900 0.383 0.000 0.988 257 G CA 0.547 45.814 45.100 0.278 0.000 0.625 257 G HN 0.808 nan 8.290 nan 0.000 0.527 258 F N 0.505 120.512 119.950 0.095 0.000 2.662 258 F HA 0.797 5.325 4.527 0.001 0.000 0.312 258 F C -0.723 175.132 175.800 0.091 0.000 1.113 258 F CA -1.486 56.565 58.000 0.086 0.000 0.951 258 F CB 0.730 39.769 39.000 0.065 0.000 1.344 258 F HN 0.367 nan 8.300 nan 0.000 0.462 259 N N 1.058 119.721 118.700 -0.060 0.000 3.316 259 N HA 0.798 5.538 4.740 0.001 0.000 0.300 259 N C -1.712 173.787 175.510 -0.020 0.000 1.567 259 N CA -0.657 52.297 53.050 -0.160 0.000 0.821 259 N CB 1.789 40.279 38.487 0.005 0.000 1.748 259 N HN 1.070 nan 8.380 nan 0.000 0.603 260 A N -0.269 122.542 122.820 -0.016 0.000 2.464 260 A HA 0.841 5.161 4.320 0.001 0.000 0.268 260 A C -0.261 177.381 177.584 0.098 0.000 1.244 260 A CA -0.205 51.890 52.037 0.098 0.000 0.871 260 A CB 0.727 19.765 19.000 0.063 0.000 1.400 260 A HN 0.887 nan 8.150 nan 0.000 0.455 261 T N -3.565 111.062 114.554 0.120 0.000 2.910 261 T HA 0.460 4.810 4.350 0.001 0.000 0.287 261 T C 0.835 175.606 174.700 0.118 0.000 1.050 261 T CA -0.177 61.985 62.100 0.104 0.000 1.011 261 T CB 1.015 69.942 68.868 0.098 0.000 1.195 261 T HN 0.441 nan 8.240 nan 0.000 0.540 262 M N 0.530 120.204 119.600 0.122 0.000 2.149 262 M HA 0.000 4.481 4.480 0.001 0.000 0.261 262 M C 2.100 178.540 176.300 0.234 0.000 1.064 262 M CA 1.834 57.237 55.300 0.172 0.000 1.102 262 M CB -0.891 31.790 32.600 0.134 0.000 1.369 262 M HN 0.920 nan 8.290 nan 0.000 0.408 263 E N -1.591 118.705 120.200 0.160 0.000 2.086 263 E HA -0.047 4.304 4.350 0.001 0.000 0.190 263 E C 1.987 178.691 176.600 0.174 0.000 0.975 263 E CA 0.981 57.472 56.400 0.152 0.000 0.813 263 E CB -0.501 29.243 29.700 0.073 0.000 0.768 263 E HN 0.550 nan 8.360 nan 0.000 0.457 264 G N 1.550 110.435 108.800 0.142 0.000 2.422 264 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 264 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 264 G C 1.537 176.557 174.900 0.200 0.000 1.146 264 G CA 0.830 46.015 45.100 0.143 0.000 0.769 264 G HN 0.354 nan 8.290 nan 0.000 0.547 265 I N 0.686 121.339 120.570 0.137 0.000 2.335 265 I HA -0.149 4.021 4.170 0.001 0.000 0.251 265 I C 2.274 178.273 176.117 -0.196 0.000 1.129 265 I CA 1.228 62.513 61.300 -0.026 0.000 1.402 265 I CB -0.378 37.427 38.000 -0.325 0.000 1.069 265 I HN 0.287 nan 8.210 nan 0.000 0.424 266 H N -0.477 118.556 119.070 -0.061 0.000 2.524 266 H HA 0.089 4.645 4.556 0.001 0.000 0.282 266 H C 2.201 177.525 175.328 -0.007 0.000 1.016 266 H CA 0.876 56.869 56.048 -0.092 0.000 1.270 266 H CB -0.049 29.661 29.762 -0.086 0.000 1.394 266 H HN 0.296 nan 8.280 nan 0.000 0.568 267 R N -0.890 119.691 120.500 0.136 0.000 2.100 267 R HA -0.074 4.267 4.340 0.001 0.000 0.220 267 R C 1.364 177.793 176.300 0.215 0.000 1.091 267 R CA 0.956 57.150 56.100 0.157 0.000 0.986 267 R CB -0.128 30.227 30.300 0.090 0.000 0.888 267 R HN 0.371 nan 8.270 nan 0.000 0.444 268 W N 0.958 122.304 121.300 0.077 0.000 2.381 268 W HA -0.092 4.568 4.660 0.000 0.000 0.301 268 W C 2.500 179.042 176.519 0.038 0.000 1.205 268 W CA 1.170 58.556 57.345 0.070 0.000 1.285 268 W CB -0.249 29.196 29.460 -0.026 0.000 1.133 268 W HN 0.155 nan 8.180 nan 0.000 0.521 269 A N 0.230 123.142 122.820 0.152 0.000 1.858 269 A HA -0.227 4.094 4.320 0.001 0.000 0.216 269 A C 1.923 179.504 177.584 -0.005 0.000 1.190 269 A CA 1.769 53.791 52.037 -0.024 0.000 0.617 269 A CB -1.076 17.784 19.000 -0.235 0.000 0.827 269 A HN 0.334 nan 8.150 nan 0.000 0.443 270 I N -2.107 118.454 120.570 -0.014 0.000 2.286 270 I HA -0.274 3.897 4.170 0.001 0.000 0.248 270 I C 2.256 178.263 176.117 -0.182 0.000 1.115 270 I CA 1.403 62.633 61.300 -0.116 0.000 1.392 270 I CB -0.092 37.805 38.000 -0.173 0.000 1.065 270 I HN 0.621 nan 8.210 nan 0.000 0.418 271 W N -0.331 120.970 121.300 0.002 0.000 2.453 271 W HA -0.176 4.485 4.660 0.002 0.000 0.289 271 W C 2.418 178.895 176.519 -0.070 0.000 1.215 271 W CA 0.641 57.961 57.345 -0.043 0.000 1.297 271 W CB -0.331 29.092 29.460 -0.062 0.000 1.113 271 W HN 0.124 nan 8.180 nan 0.000 0.551 272 M N 1.075 120.817 119.600 0.236 0.000 2.080 272 M HA -0.141 4.339 4.480 0.001 0.000 0.260 272 M C 2.080 178.449 176.300 0.116 0.000 1.068 272 M CA 2.452 57.879 55.300 0.212 0.000 1.109 272 M CB -0.870 31.880 32.600 0.250 0.000 1.342 272 M HN -0.042 nan 8.290 nan 0.000 0.405 273 A N -1.130 121.733 122.820 0.072 0.000 1.854 273 A HA -0.065 4.256 4.320 0.001 0.000 0.214 273 A C 2.188 179.786 177.584 0.024 0.000 1.192 273 A CA 1.791 53.864 52.037 0.060 0.000 0.611 273 A CB -1.312 17.708 19.000 0.033 0.000 0.832 273 A HN 0.351 nan 8.150 nan 0.000 0.442 274 V N 0.419 120.311 119.914 -0.036 0.000 2.324 274 V HA -0.287 3.833 4.120 0.001 0.000 0.250 274 V C 2.526 178.594 176.094 -0.043 0.000 1.060 274 V CA 2.086 64.351 62.300 -0.059 0.000 1.042 274 V CB -0.716 30.974 31.823 -0.220 0.000 0.650 274 V HN 0.571 nan 8.190 nan 0.000 0.450 275 L N -0.789 120.352 121.223 -0.137 0.000 2.353 275 L HA -0.136 4.204 4.340 0.001 0.000 0.220 275 L C 2.324 179.097 176.870 -0.163 0.000 1.133 275 L CA 0.633 55.273 54.840 -0.335 0.000 0.798 275 L CB -0.581 40.802 42.059 -1.127 0.000 0.922 275 L HN 0.230 nan 8.230 nan 0.000 0.445 276 V N -0.012 119.907 119.914 0.008 0.000 2.233 276 V HA -0.306 3.815 4.120 0.001 0.000 0.247 276 V C 2.601 178.796 176.094 0.168 0.000 1.050 276 V CA 2.598 65.000 62.300 0.171 0.000 1.010 276 V CB -0.968 30.954 31.823 0.164 0.000 0.637 276 V HN 0.665 nan 8.190 nan 0.000 0.444 277 T N -2.489 112.160 114.554 0.159 0.000 3.067 277 T HA 0.030 4.381 4.350 0.001 0.000 0.257 277 T C 1.747 176.637 174.700 0.318 0.000 1.105 277 T CA 0.524 62.749 62.100 0.208 0.000 1.104 277 T CB -0.033 68.958 68.868 0.206 0.000 0.925 277 T HN 0.186 nan 8.240 nan 0.000 0.498 278 L N 2.799 124.163 121.223 0.236 0.000 2.023 278 L HA 0.030 4.371 4.340 0.001 0.000 0.205 278 L C 2.968 180.007 176.870 0.281 0.000 1.073 278 L CA 2.357 57.325 54.840 0.213 0.000 0.745 278 L CB -1.176 40.912 42.059 0.049 0.000 0.900 278 L HN 0.550 nan 8.230 nan 0.000 0.435 279 T N -3.932 110.770 114.554 0.247 0.000 2.777 279 T HA -0.079 4.271 4.350 0.001 0.000 0.266 279 T C 1.988 176.853 174.700 0.276 0.000 1.040 279 T CA 0.902 63.200 62.100 0.329 0.000 1.141 279 T CB -1.364 67.779 68.868 0.458 0.000 0.868 279 T HN 0.333 nan 8.240 nan 0.000 0.444 280 G N 1.288 110.229 108.800 0.235 0.000 2.442 280 G HA2 0.026 3.986 3.960 0.001 0.000 0.219 280 G HA3 0.026 3.986 3.960 0.001 0.000 0.219 280 G C 1.717 176.677 174.900 0.100 0.000 1.141 280 G CA 0.759 45.952 45.100 0.154 0.000 0.763 280 G HN 0.684 nan 8.290 nan 0.000 0.554 281 G N 0.995 109.892 108.800 0.163 0.000 2.418 281 G HA2 -0.162 3.799 3.960 0.001 0.000 0.217 281 G HA3 -0.162 3.799 3.960 0.001 0.000 0.217 281 G C 1.777 176.685 174.900 0.013 0.000 1.158 281 G CA 0.840 45.892 45.100 -0.080 0.000 0.771 281 G HN 0.447 nan 8.290 nan 0.000 0.545 282 I N 1.287 121.985 120.570 0.215 0.000 2.142 282 I HA -0.106 4.064 4.170 0.001 0.000 0.240 282 I C 3.128 179.123 176.117 -0.204 0.000 1.078 282 I CA 1.107 62.366 61.300 -0.069 0.000 1.343 282 I CB -0.575 37.092 38.000 -0.556 0.000 1.046 282 I HN 0.242 nan 8.210 nan 0.000 0.405 283 G N 1.309 110.010 108.800 -0.165 0.000 2.469 283 G HA2 -0.225 3.735 3.960 0.001 0.000 0.219 283 G HA3 -0.225 3.735 3.960 0.001 0.000 0.219 283 G C 1.570 176.512 174.900 0.070 0.000 1.150 283 G CA 0.688 45.779 45.100 -0.015 0.000 0.763 283 G HN 0.228 nan 8.290 nan 0.000 0.561 284 I N 0.220 120.811 120.570 0.034 0.000 2.406 284 I HA 0.027 4.197 4.170 0.001 0.000 0.249 284 I C 2.547 178.724 176.117 0.100 0.000 1.122 284 I CA 0.479 61.819 61.300 0.066 0.000 1.431 284 I CB -0.908 37.044 38.000 -0.080 0.000 1.087 284 I HN 0.157 nan 8.210 nan 0.000 0.424 285 L N 0.883 122.110 121.223 0.006 0.000 2.131 285 L HA -0.105 4.235 4.340 0.001 0.000 0.210 285 L C 2.169 179.090 176.870 0.085 0.000 1.092 285 L CA 1.733 56.579 54.840 0.010 0.000 0.759 285 L CB -0.473 41.569 42.059 -0.030 0.000 0.903 285 L HN 0.117 nan 8.230 nan 0.000 0.435 286 L N -1.217 120.088 121.223 0.137 0.000 2.395 286 L HA 0.041 4.381 4.340 0.001 0.000 0.218 286 L C 0.815 177.795 176.870 0.182 0.000 1.130 286 L CA -0.092 54.854 54.840 0.177 0.000 0.826 286 L CB -0.345 41.884 42.059 0.284 0.000 0.941 286 L HN 0.054 nan 8.230 nan 0.000 0.451 287 S N 0.194 116.056 115.700 0.270 0.000 2.448 287 S HA 0.411 4.881 4.470 0.001 0.000 0.279 287 S C 1.072 175.715 174.600 0.072 0.000 1.195 287 S CA 0.388 58.686 58.200 0.163 0.000 1.051 287 S CB 1.059 64.327 63.200 0.113 0.000 0.948 287 S HN 0.543 nan 8.310 nan 0.000 0.493 288 G N 2.972 111.845 108.800 0.121 0.000 2.268 288 G HA2 -0.346 3.615 3.960 0.001 0.000 0.240 288 G HA3 -0.346 3.615 3.960 0.001 0.000 0.240 288 G C 1.003 175.916 174.900 0.021 0.000 1.010 288 G CA 0.843 46.016 45.100 0.122 0.000 0.618 288 G HN 0.832 nan 8.290 nan 0.000 0.516 289 T N -2.696 111.868 114.554 0.017 0.000 3.046 289 T HA 0.436 4.786 4.350 0.001 0.000 0.242 289 T C 2.034 176.722 174.700 -0.020 0.000 1.018 289 T CA 1.841 63.942 62.100 0.002 0.000 1.131 289 T CB 0.293 69.174 68.868 0.022 0.000 0.904 289 T HN 0.634 nan 8.240 nan 0.000 0.459 290 V N 0.355 120.244 119.914 -0.042 0.000 3.484 290 V HA 0.412 4.533 4.120 0.001 0.000 0.252 290 V C 0.161 176.165 176.094 -0.150 0.000 1.282 290 V CA -0.070 62.195 62.300 -0.059 0.000 1.104 290 V CB 1.196 33.005 31.823 -0.022 0.000 0.868 290 V HN 0.340 nan 8.190 nan 0.000 0.457 291 V N 0.828 120.568 119.914 -0.290 0.000 2.525 291 V HA 0.416 4.536 4.120 0.001 0.000 0.299 291 V C 0.023 175.869 176.094 -0.413 0.000 1.034 291 V CA -0.442 61.549 62.300 -0.515 0.000 0.863 291 V CB 1.834 32.871 31.823 -1.310 0.000 0.999 291 V HN 0.257 nan 8.190 nan 0.000 0.423 292 D N 2.369 122.605 120.400 -0.274 0.000 2.327 292 D HA 0.048 4.688 4.640 0.001 0.000 0.205 292 D C 0.455 176.635 176.300 -0.201 0.000 0.989 292 D CA 0.734 54.612 54.000 -0.202 0.000 0.873 292 D CB 0.614 41.314 40.800 -0.165 0.000 0.955 292 D HN 0.494 nan 8.370 nan 0.000 0.515 293 N N -0.332 118.241 118.700 -0.213 0.000 2.594 293 N HA -0.001 4.739 4.740 0.001 0.000 0.280 293 N C -0.149 175.353 175.510 -0.013 0.000 1.156 293 N CA -0.409 52.603 53.050 -0.064 0.000 0.831 293 N CB 0.418 38.907 38.487 0.005 0.000 1.379 293 N HN -0.121 nan 8.380 nan 0.000 0.536 294 W N 1.914 123.334 121.300 0.200 0.000 2.392 294 W HA -0.126 4.534 4.660 0.000 0.000 0.279 294 W C 1.763 178.464 176.519 0.303 0.000 1.225 294 W CA 0.467 57.975 57.345 0.272 0.000 1.233 294 W CB -0.272 29.335 29.460 0.245 0.000 1.122 294 W HN 0.651 nan 8.180 nan 0.000 0.561 295 Y N 0.667 121.087 120.300 0.200 0.000 2.114 295 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 295 Y C 2.267 178.128 175.900 -0.065 0.000 1.143 295 Y CA 1.922 59.889 58.100 -0.222 0.000 1.135 295 Y CB -0.997 37.279 38.460 -0.307 0.000 0.980 295 Y HN -0.209 nan 8.280 nan 0.000 0.499 296 V N -0.350 119.499 119.914 -0.108 0.000 2.287 296 V HA -0.328 3.792 4.120 0.001 0.000 0.248 296 V C 2.154 178.187 176.094 -0.102 0.000 1.053 296 V CA 2.137 64.319 62.300 -0.197 0.000 1.027 296 V CB -1.154 30.636 31.823 -0.056 0.000 0.646 296 V HN 0.733 nan 8.190 nan 0.000 0.447 297 W N 1.261 122.486 121.300 -0.124 0.000 2.321 297 W HA -0.163 4.497 4.660 0.000 0.000 0.306 297 W C 2.311 178.830 176.519 0.001 0.000 1.217 297 W CA 2.071 59.377 57.345 -0.064 0.000 1.257 297 W CB -0.725 28.694 29.460 -0.069 0.000 1.145 297 W HN 0.249 nan 8.180 nan 0.000 0.509 298 G N -0.404 108.531 108.800 0.225 0.000 2.422 298 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 298 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 298 G C 1.405 176.205 174.900 -0.167 0.000 1.146 298 G CA 0.916 46.057 45.100 0.068 0.000 0.769 298 G HN 0.263 nan 8.290 nan 0.000 0.547 299 Q N 0.527 120.151 119.800 -0.292 0.000 2.226 299 Q HA -0.049 4.291 4.340 0.001 0.000 0.204 299 Q C 0.657 176.518 176.000 -0.231 0.000 0.975 299 Q CA 0.740 56.362 55.803 -0.301 0.000 0.866 299 Q CB -0.222 28.263 28.738 -0.420 0.000 0.915 299 Q HN 0.633 nan 8.270 nan 0.000 0.440 300 N N 0.840 119.373 118.700 -0.277 0.000 3.040 300 N HA 0.090 4.830 4.740 0.001 0.000 0.305 300 N C -0.464 174.850 175.510 -0.328 0.000 1.611 300 N CA -0.117 52.773 53.050 -0.266 0.000 1.049 300 N CB 0.490 38.828 38.487 -0.248 0.000 1.342 300 N HN 0.132 nan 8.380 nan 0.000 0.497 301 H N 0.000 118.833 119.070 -0.395 0.000 2.539 301 H HA 0.000 4.557 4.556 0.001 0.000 0.296 301 H CA 0.000 55.806 56.048 -0.404 0.000 1.023 301 H CB 0.000 29.270 29.762 -0.819 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496