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 1rba_1_B DATA FIRST_RESID 5 DATA SEQUENCE SRYVNLALKE EDLIAGGEHV LCAYIMKPKA GYGYVATAAH FAAESSTGTN DATA SEQUENCE VEVCTTDDFT RGVDALVYEV DEARELTKIA YPVALFDRNI TDGKAMIASF DATA SEQUENCE LTLTMGNNQG MGDVEYAKMH DFYVPEAYRA LFDGPSVNIS ALWKVLGRPE DATA SEQUENCE VDGGLVVGTI IKPKLGLRPK PFAEACHAFW LGGDFIKNNE PQGNQPFAPL DATA SEQUENCE RDTIALVADA MRRAQDETGE AKLFSANITA DDPFEIIARG EYVLETFGEN DATA SEQUENCE ASHVALLVDG YVAGAAAITT ARRRFPDNFL HYHRAGHGAV TSPQSKRGYT DATA SEQUENCE AFVHCKMARL QGASGIHTGT XXXXXXXXXX SDRAIAYMLT QDEAQGPFYR DATA SEQUENCE QSWGGMKACT PIISGGMNAL RMPGFFENLG NANVILTAGG GAFGHIDGPV DATA SEQUENCE AGARSLRQAW QAWRDGVPVL DYAREHKELA RAFESFPGDA DQIYPGWRKA DATA SEQUENCE LGV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.637 174.600 0.062 0.000 1.055 5 S CA 0.000 58.208 58.200 0.014 0.000 1.107 5 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 6 R N -1.341 119.203 120.500 0.074 0.000 4.132 6 R HA 0.029 4.370 4.340 0.001 0.000 0.202 6 R C -1.105 175.262 176.300 0.111 0.000 0.755 6 R CA 0.499 56.598 56.100 -0.002 0.000 0.663 6 R CB -0.774 29.478 30.300 -0.080 0.000 1.410 6 R HN 0.220 nan 8.270 nan 0.000 0.415 7 Y N -2.061 118.242 120.300 0.004 0.000 2.913 7 Y HA -0.307 4.244 4.550 0.001 0.000 0.465 7 Y C 0.693 176.603 175.900 0.016 0.000 1.215 7 Y CA 1.091 59.197 58.100 0.010 0.000 2.448 7 Y CB -1.616 36.851 38.460 0.012 0.000 1.245 7 Y HN 0.379 nan 8.280 nan 0.000 0.633 8 V N 2.164 122.182 119.914 0.173 0.000 3.289 8 V HA -0.251 3.869 4.120 0.001 0.000 0.267 8 V C 0.877 177.021 176.094 0.083 0.000 1.484 8 V CA 2.071 64.444 62.300 0.121 0.000 1.484 8 V CB 0.018 31.898 31.823 0.095 0.000 1.018 8 V HN 0.672 nan 8.190 nan 0.000 0.530 9 N N 0.908 119.661 118.700 0.089 0.000 2.286 9 N HA 0.215 4.956 4.740 0.001 0.000 0.245 9 N C 0.864 176.427 175.510 0.087 0.000 1.363 9 N CA -0.274 52.824 53.050 0.080 0.000 0.822 9 N CB 0.161 38.703 38.487 0.091 0.000 1.345 9 N HN 0.619 nan 8.380 nan 0.000 0.494 10 L N 0.505 121.775 121.223 0.079 0.000 2.683 10 L HA -0.205 4.136 4.340 0.001 0.000 0.236 10 L C 2.113 179.024 176.870 0.067 0.000 1.179 10 L CA 1.112 55.996 54.840 0.073 0.000 0.822 10 L CB -0.412 41.678 42.059 0.052 0.000 0.952 10 L HN 0.292 nan 8.230 nan 0.000 0.455 11 A N -1.167 121.689 122.820 0.061 0.000 1.997 11 A HA 0.113 4.434 4.320 0.001 0.000 0.212 11 A C 1.120 178.737 177.584 0.056 0.000 1.178 11 A CA -0.041 52.025 52.037 0.048 0.000 0.698 11 A CB 0.066 19.087 19.000 0.035 0.000 0.842 11 A HN 0.140 nan 8.150 nan 0.000 0.458 12 L N 1.540 122.806 121.223 0.071 0.000 2.499 12 L HA 0.132 4.472 4.340 0.001 0.000 0.273 12 L C -0.242 176.687 176.870 0.099 0.000 1.195 12 L CA 0.739 55.619 54.840 0.067 0.000 0.882 12 L CB 0.398 42.496 42.059 0.065 0.000 1.133 12 L HN 0.299 nan 8.230 nan 0.000 0.483 13 K N 3.832 124.263 120.400 0.051 0.000 2.172 13 K HA 0.075 4.395 4.320 0.001 0.000 0.276 13 K C 0.965 177.584 176.600 0.031 0.000 1.013 13 K CA -0.446 55.883 56.287 0.071 0.000 0.913 13 K CB 1.430 33.956 32.500 0.042 0.000 1.055 13 K HN 0.489 nan 8.250 nan 0.000 0.461 14 E N 3.076 123.364 120.200 0.146 0.000 2.070 14 E HA -0.249 4.102 4.350 0.001 0.000 0.197 14 E C 0.974 177.549 176.600 -0.042 0.000 1.004 14 E CA 1.612 58.055 56.400 0.071 0.000 0.805 14 E CB 0.303 30.299 29.700 0.494 0.000 0.744 14 E HN 0.671 nan 8.360 nan 0.000 0.451 15 E N 0.595 120.808 120.200 0.021 0.000 2.485 15 E HA -0.087 4.263 4.350 0.001 0.000 0.194 15 E C 0.514 177.101 176.600 -0.021 0.000 1.098 15 E CA 0.540 56.936 56.400 -0.005 0.000 0.878 15 E CB -0.004 29.704 29.700 0.013 0.000 0.939 15 E HN 0.208 nan 8.360 nan 0.000 0.503 16 D N 0.364 120.740 120.400 -0.040 0.000 2.290 16 D HA 0.114 4.754 4.640 0.001 0.000 0.224 16 D C 1.834 178.110 176.300 -0.041 0.000 0.967 16 D CA 0.660 54.641 54.000 -0.031 0.000 0.893 16 D CB 0.025 40.808 40.800 -0.027 0.000 1.037 16 D HN 0.176 nan 8.370 nan 0.000 0.477 17 L N 0.249 121.411 121.223 -0.102 0.000 2.353 17 L HA -0.071 4.269 4.340 0.001 0.000 0.220 17 L C 2.006 178.879 176.870 0.005 0.000 1.133 17 L CA 0.248 55.026 54.840 -0.103 0.000 0.798 17 L CB -0.175 41.697 42.059 -0.311 0.000 0.922 17 L HN 0.055 nan 8.230 nan 0.000 0.445 18 I N -0.072 120.484 120.570 -0.023 0.000 2.193 18 I HA -0.191 3.979 4.170 0.001 0.000 0.240 18 I C 2.476 178.626 176.117 0.054 0.000 1.084 18 I CA 1.534 62.815 61.300 -0.032 0.000 1.365 18 I CB -0.432 37.497 38.000 -0.119 0.000 1.064 18 I HN 0.167 nan 8.210 nan 0.000 0.410 19 A N -0.329 122.508 122.820 0.029 0.000 1.838 19 A HA 0.231 4.552 4.320 0.001 0.000 0.215 19 A C 1.767 179.387 177.584 0.059 0.000 1.273 19 A CA 0.880 52.942 52.037 0.041 0.000 0.602 19 A CB -1.510 17.505 19.000 0.023 0.000 0.934 19 A HN 0.371 nan 8.150 nan 0.000 0.461 20 G N 0.372 109.204 108.800 0.053 0.000 2.741 20 G HA2 0.431 4.392 3.960 0.001 0.000 0.301 20 G HA3 0.431 4.392 3.960 0.001 0.000 0.301 20 G C 0.418 175.374 174.900 0.093 0.000 0.834 20 G CA 0.240 45.378 45.100 0.063 0.000 1.683 20 G HN 0.773 nan 8.290 nan 0.000 0.506 21 G N 1.191 110.055 108.800 0.107 0.000 3.343 21 G HA2 0.337 4.298 3.960 0.001 0.000 0.264 21 G HA3 0.337 4.298 3.960 0.001 0.000 0.264 21 G C 0.256 175.230 174.900 0.124 0.000 0.884 21 G CA -0.424 44.760 45.100 0.140 0.000 1.916 21 G HN 0.583 nan 8.290 nan 0.000 0.618 22 E N 1.074 121.359 120.200 0.142 0.000 3.582 22 E HA 0.201 4.552 4.350 0.001 0.000 0.217 22 E C -0.812 175.830 176.600 0.069 0.000 1.092 22 E CA -0.537 55.915 56.400 0.086 0.000 1.365 22 E CB 0.063 29.794 29.700 0.052 0.000 1.278 22 E HN 0.449 nan 8.360 nan 0.000 0.439 23 H N -0.784 118.345 119.070 0.098 0.000 3.069 23 H HA 0.090 4.646 4.556 0.001 0.000 0.294 23 H C -1.258 174.180 175.328 0.183 0.000 1.144 23 H CA -0.456 55.675 56.048 0.138 0.000 1.579 23 H CB 1.120 30.933 29.762 0.086 0.000 2.174 23 H HN -0.030 nan 8.280 nan 0.000 0.456 24 V N 5.653 125.838 119.914 0.453 0.000 2.488 24 V HA 0.204 4.324 4.120 0.001 0.000 0.277 24 V C 0.593 176.996 176.094 0.515 0.000 1.046 24 V CA -0.272 62.315 62.300 0.477 0.000 0.986 24 V CB 0.700 32.888 31.823 0.607 0.000 0.989 24 V HN 0.339 nan 8.190 nan 0.000 0.475 25 L N 5.033 126.461 121.223 0.341 0.000 2.287 25 L HA 0.551 4.892 4.340 0.001 0.000 0.287 25 L C -0.350 176.714 176.870 0.323 0.000 1.022 25 L CA -0.120 54.887 54.840 0.277 0.000 0.814 25 L CB 1.412 43.464 42.059 -0.012 0.000 1.217 25 L HN 0.572 nan 8.230 nan 0.000 0.420 26 C N 2.715 122.327 119.300 0.520 0.000 2.435 26 C HA 0.908 5.369 4.460 0.001 0.000 0.333 26 C C 0.367 175.472 174.990 0.193 0.000 1.202 26 C CA -0.562 58.672 59.018 0.359 0.000 1.830 26 C CB 1.333 29.321 27.740 0.413 0.000 2.326 26 C HN 0.899 nan 8.230 nan 0.000 0.507 27 A N 2.561 125.290 122.820 -0.152 0.000 2.411 27 A HA 0.785 5.106 4.320 0.001 0.000 0.285 27 A C -1.506 175.811 177.584 -0.447 0.000 1.129 27 A CA -0.325 51.519 52.037 -0.323 0.000 0.736 27 A CB 0.429 19.115 19.000 -0.525 0.000 1.186 27 A HN 0.787 nan 8.150 nan 0.000 0.445 28 Y N 0.858 121.148 120.300 -0.017 0.000 2.562 28 Y HA 0.712 5.262 4.550 0.001 0.000 0.343 28 Y C -0.178 175.775 175.900 0.088 0.000 1.025 28 Y CA -1.438 56.695 58.100 0.055 0.000 1.082 28 Y CB 1.529 39.995 38.460 0.010 0.000 1.264 28 Y HN 0.449 nan 8.280 nan 0.000 0.478 29 I N 3.650 124.474 120.570 0.424 0.000 2.330 29 I HA 0.384 4.555 4.170 0.001 0.000 0.286 29 I C -0.637 175.677 176.117 0.328 0.000 1.025 29 I CA -0.308 61.231 61.300 0.398 0.000 1.197 29 I CB 0.561 38.860 38.000 0.498 0.000 1.358 29 I HN 0.467 nan 8.210 nan 0.000 0.467 30 M N 7.875 127.593 119.600 0.196 0.000 2.322 30 M HA 0.394 4.875 4.480 0.001 0.000 0.286 30 M C -1.886 174.380 176.300 -0.058 0.000 1.111 30 M CA -0.613 54.670 55.300 -0.029 0.000 0.941 30 M CB 2.042 34.388 32.600 -0.424 0.000 1.671 30 M HN 0.498 nan 8.290 nan 0.000 0.470 31 K N 7.214 127.406 120.400 -0.345 0.000 2.413 31 K HA 0.643 4.964 4.320 0.001 0.000 0.257 31 K C -2.775 173.606 176.600 -0.364 0.000 0.946 31 K CA -1.423 54.686 56.287 -0.297 0.000 0.823 31 K CB 2.289 34.484 32.500 -0.509 0.000 1.109 31 K HN 0.368 nan 8.250 nan 0.000 0.427 32 P HA 0.049 nan 4.420 nan 0.000 0.274 32 P C 0.132 177.403 177.300 -0.049 0.000 1.237 32 P CA -0.251 62.756 63.100 -0.155 0.000 0.793 32 P CB 1.076 32.722 31.700 -0.090 0.000 0.977 33 K N 1.278 121.681 120.400 0.004 0.000 2.097 33 K HA -0.138 4.183 4.320 0.001 0.000 0.214 33 K C 0.489 177.174 176.600 0.141 0.000 1.052 33 K CA 2.240 58.599 56.287 0.120 0.000 0.932 33 K CB -0.655 31.984 32.500 0.232 0.000 0.716 33 K HN 0.786 nan 8.250 nan 0.000 0.455 34 A N -1.749 121.194 122.820 0.204 0.000 2.111 34 A HA 0.341 4.662 4.320 0.001 0.000 0.597 34 A C 0.287 177.873 177.584 0.003 0.000 0.142 34 A CA 0.319 52.405 52.037 0.082 0.000 0.240 34 A CB -1.153 17.870 19.000 0.038 0.000 3.430 34 A HN 0.535 nan 8.150 nan 0.000 0.505 35 G N 0.104 108.889 108.800 -0.026 0.000 2.174 35 G HA2 0.241 4.201 3.960 0.001 0.000 0.140 35 G HA3 0.241 4.201 3.960 0.001 0.000 0.140 35 G C -0.491 174.254 174.900 -0.259 0.000 1.031 35 G CA 0.347 45.342 45.100 -0.175 0.000 0.728 35 G HN 1.824 nan 8.290 nan 0.000 0.496 36 Y N -0.036 120.266 120.300 0.004 0.000 2.421 36 Y HA 0.597 5.148 4.550 0.001 0.000 0.339 36 Y C 0.820 176.731 175.900 0.018 0.000 0.996 36 Y CA -0.725 57.377 58.100 0.004 0.000 1.046 36 Y CB 1.788 40.242 38.460 -0.009 0.000 1.226 36 Y HN 0.304 nan 8.280 nan 0.000 0.445 37 G N 2.043 110.950 108.800 0.177 0.000 2.307 37 G HA2 -0.081 3.879 3.960 0.001 0.000 0.271 37 G HA3 -0.081 3.879 3.960 0.001 0.000 0.271 37 G C 0.531 175.509 174.900 0.131 0.000 1.191 37 G CA 0.077 45.260 45.100 0.137 0.000 1.024 37 G HN 0.891 nan 8.290 nan 0.000 0.441 38 Y N 2.903 123.221 120.300 0.029 0.000 2.100 38 Y HA -0.355 4.195 4.550 0.001 0.000 0.267 38 Y C 2.725 178.622 175.900 -0.005 0.000 1.250 38 Y CA 2.596 60.694 58.100 -0.003 0.000 1.105 38 Y CB -0.315 38.137 38.460 -0.013 0.000 0.924 38 Y HN 0.314 nan 8.280 nan 0.000 0.508 39 V N -0.525 119.459 119.914 0.117 0.000 2.427 39 V HA -0.308 3.813 4.120 0.001 0.000 0.248 39 V C 2.512 178.609 176.094 0.005 0.000 1.051 39 V CA 1.570 63.903 62.300 0.055 0.000 1.048 39 V CB -1.351 30.529 31.823 0.095 0.000 0.666 39 V HN 0.589 nan 8.190 nan 0.000 0.456 40 A N -0.302 122.532 122.820 0.023 0.000 1.877 40 A HA -0.247 4.073 4.320 0.001 0.000 0.216 40 A C 2.400 179.982 177.584 -0.004 0.000 1.186 40 A CA 2.576 54.628 52.037 0.024 0.000 0.620 40 A CB -1.100 17.930 19.000 0.049 0.000 0.822 40 A HN 0.478 nan 8.150 nan 0.000 0.443 41 T N 0.128 114.628 114.554 -0.089 0.000 2.737 41 T HA -0.069 4.281 4.350 0.001 0.000 0.269 41 T C 1.927 176.524 174.700 -0.171 0.000 1.040 41 T CA 1.764 63.760 62.100 -0.174 0.000 1.142 41 T CB -0.303 68.376 68.868 -0.315 0.000 0.861 41 T HN 0.606 nan 8.240 nan 0.000 0.456 42 A N 0.160 122.834 122.820 -0.244 0.000 2.195 42 A HA 0.642 4.963 4.320 0.001 0.000 0.210 42 A C 2.266 179.853 177.584 0.004 0.000 1.165 42 A CA 0.814 52.747 52.037 -0.173 0.000 0.806 42 A CB -0.260 18.558 19.000 -0.303 0.000 0.847 42 A HN 0.445 nan 8.150 nan 0.000 0.482 43 A N -1.419 121.428 122.820 0.046 0.000 2.132 43 A HA 0.102 4.422 4.320 0.001 0.000 0.213 43 A C 1.886 179.542 177.584 0.119 0.000 1.154 43 A CA 1.237 53.338 52.037 0.107 0.000 0.753 43 A CB -0.531 18.542 19.000 0.121 0.000 0.826 43 A HN 0.589 nan 8.150 nan 0.000 0.469 44 H N -0.945 118.099 119.070 -0.043 0.000 2.287 44 H HA 0.003 4.559 4.556 0.001 0.000 0.309 44 H C 1.601 176.846 175.328 -0.139 0.000 1.059 44 H CA 1.279 57.275 56.048 -0.087 0.000 1.357 44 H CB -0.847 28.863 29.762 -0.086 0.000 1.409 44 H HN 0.361 nan 8.280 nan 0.000 0.515 45 F N 1.112 120.925 119.950 -0.229 0.000 2.271 45 F HA -0.187 4.341 4.527 0.001 0.000 0.302 45 F C 2.155 177.773 175.800 -0.304 0.000 1.063 45 F CA 1.564 59.331 58.000 -0.389 0.000 1.362 45 F CB -0.233 38.536 39.000 -0.385 0.000 1.060 45 F HN 0.295 nan 8.300 nan 0.000 0.521 46 A N -1.182 121.537 122.820 -0.169 0.000 2.303 46 A HA 0.506 4.827 4.320 0.001 0.000 0.217 46 A C 2.007 179.279 177.584 -0.520 0.000 1.205 46 A CA 0.561 52.445 52.037 -0.255 0.000 0.875 46 A CB -0.782 18.139 19.000 -0.133 0.000 0.910 46 A HN 0.323 nan 8.150 nan 0.000 0.501 47 A N -0.264 122.227 122.820 -0.548 0.000 1.975 47 A HA 0.116 4.437 4.320 0.001 0.000 0.215 47 A C 1.439 178.774 177.584 -0.414 0.000 1.170 47 A CA 1.226 52.766 52.037 -0.829 0.000 0.656 47 A CB -0.086 18.633 19.000 -0.468 0.000 0.821 47 A HN 0.333 nan 8.150 nan 0.000 0.449 48 E N -0.157 119.848 120.200 -0.326 0.000 2.349 48 E HA 0.263 4.613 4.350 0.001 0.000 0.201 48 E C 0.337 176.747 176.600 -0.317 0.000 1.087 48 E CA 0.179 56.405 56.400 -0.289 0.000 1.128 48 E CB 0.031 29.540 29.700 -0.317 0.000 1.188 48 E HN 0.419 nan 8.360 nan 0.000 0.445 49 S N -2.048 113.493 115.700 -0.264 0.000 2.684 49 S HA 0.179 4.649 4.470 0.001 0.000 0.268 49 S C 0.689 175.267 174.600 -0.037 0.000 1.075 49 S CA -0.261 57.867 58.200 -0.121 0.000 1.184 49 S CB 0.815 64.061 63.200 0.077 0.000 1.129 49 S HN 0.136 nan 8.310 nan 0.000 0.630 50 S N 1.386 117.007 115.700 -0.132 0.000 4.359 50 S HA 0.219 4.690 4.470 0.001 0.000 0.202 50 S C 1.248 175.818 174.600 -0.050 0.000 1.078 50 S CA -0.128 58.031 58.200 -0.069 0.000 1.776 50 S CB -0.720 62.460 63.200 -0.034 0.000 0.891 50 S HN 0.209 nan 8.310 nan 0.000 0.780 51 T N 0.856 115.433 114.554 0.038 0.000 3.014 51 T HA 0.350 4.701 4.350 0.001 0.000 0.263 51 T C 1.560 176.305 174.700 0.075 0.000 1.078 51 T CA 0.957 63.116 62.100 0.098 0.000 1.135 51 T CB -0.759 68.253 68.868 0.241 0.000 0.895 51 T HN 0.900 nan 8.240 nan 0.000 0.480 52 G N 1.127 109.933 108.800 0.009 0.000 5.452 52 G HA2 -0.440 3.521 3.960 0.001 0.000 0.310 52 G HA3 -0.440 3.521 3.960 0.001 0.000 0.310 52 G C 1.015 176.012 174.900 0.163 0.000 1.392 52 G CA 1.210 46.306 45.100 -0.006 0.000 0.942 52 G HN 0.577 nan 8.290 nan 0.000 0.776 53 T N -0.033 114.602 114.554 0.136 0.000 10.222 53 T HA -0.347 4.003 4.350 0.001 0.000 0.382 53 T C 0.687 175.431 174.700 0.074 0.000 1.698 53 T CA 2.172 64.341 62.100 0.114 0.000 2.662 53 T CB -1.980 66.974 68.868 0.143 0.000 2.712 53 T HN 1.762 nan 8.240 nan 0.000 1.066 54 N N 0.790 119.537 118.700 0.077 0.000 2.913 54 N HA -0.053 4.688 4.740 0.001 0.000 0.301 54 N C 0.223 175.741 175.510 0.013 0.000 1.061 54 N CA 0.729 53.799 53.050 0.034 0.000 0.827 54 N CB -0.286 38.208 38.487 0.011 0.000 0.971 54 N HN 0.503 nan 8.380 nan 0.000 0.606 55 V N -0.524 119.401 119.914 0.018 0.000 1.610 55 V HA -0.076 4.044 4.120 0.001 0.000 0.092 55 V C -1.101 175.008 176.094 0.024 0.000 1.125 55 V CA -0.254 62.050 62.300 0.006 0.000 3.112 55 V CB -0.191 31.631 31.823 -0.002 0.000 0.402 55 V HN 0.393 nan 8.190 nan 0.000 0.385 56 E N -0.894 119.314 120.200 0.014 0.000 2.369 56 E HA 0.873 5.224 4.350 0.001 0.000 0.270 56 E C -1.325 175.280 176.600 0.009 0.000 0.909 56 E CA -0.081 56.321 56.400 0.004 0.000 0.775 56 E CB 2.944 32.639 29.700 -0.008 0.000 1.270 56 E HN 0.604 nan 8.360 nan 0.000 0.445 57 V N -0.058 119.859 119.914 0.005 0.000 2.975 57 V HA 0.165 4.286 4.120 0.001 0.000 0.273 57 V C -1.879 174.222 176.094 0.011 0.000 1.928 57 V CA -0.858 61.447 62.300 0.008 0.000 0.914 57 V CB 1.695 33.522 31.823 0.007 0.000 1.354 57 V HN 0.878 nan 8.190 nan 0.000 0.420 58 C N 1.462 120.762 119.300 0.001 0.000 2.716 58 C HA 0.564 5.025 4.460 0.001 0.000 0.366 58 C C 1.296 176.259 174.990 -0.046 0.000 1.073 58 C CA 0.334 59.343 59.018 -0.016 0.000 1.260 58 C CB 1.008 28.747 27.740 -0.003 0.000 1.755 58 C HN 1.176 nan 8.230 nan 0.000 0.475 59 T N 1.264 115.788 114.554 -0.050 0.000 2.393 59 T HA -0.206 4.145 4.350 0.001 0.000 0.231 59 T C 1.632 176.290 174.700 -0.071 0.000 1.377 59 T CA 2.677 64.747 62.100 -0.050 0.000 1.375 59 T CB -0.321 68.520 68.868 -0.045 0.000 0.887 59 T HN 0.759 nan 8.240 nan 0.000 0.386 60 T N 0.029 114.528 114.554 -0.093 0.000 3.194 60 T HA 0.123 4.473 4.350 0.001 0.000 0.251 60 T C 0.019 174.636 174.700 -0.137 0.000 1.132 60 T CA 0.979 63.021 62.100 -0.097 0.000 1.028 60 T CB -1.074 67.740 68.868 -0.090 0.000 0.976 60 T HN 0.706 nan 8.240 nan 0.000 0.535 61 D N 1.118 121.418 120.400 -0.166 0.000 2.767 61 D HA -0.110 4.530 4.640 0.001 0.000 0.239 61 D C -0.769 175.249 176.300 -0.470 0.000 1.103 61 D CA 0.655 54.522 54.000 -0.222 0.000 0.710 61 D CB -0.881 39.837 40.800 -0.136 0.000 1.084 61 D HN 0.503 nan 8.370 nan 0.000 0.435 62 D N -1.181 118.901 120.400 -0.531 0.000 2.671 62 D HA 0.357 4.998 4.640 0.001 0.000 0.232 62 D C -0.313 175.667 176.300 -0.533 0.000 1.114 62 D CA -0.740 52.739 54.000 -0.868 0.000 0.858 62 D CB 0.643 41.155 40.800 -0.481 0.000 1.544 62 D HN -0.123 nan 8.370 nan 0.000 0.471 63 F N 1.568 121.508 119.950 -0.016 0.000 2.464 63 F HA 0.103 4.630 4.527 0.001 0.000 0.322 63 F C 1.382 177.172 175.800 -0.018 0.000 1.244 63 F CA -0.215 57.773 58.000 -0.020 0.000 0.954 63 F CB -1.176 37.813 39.000 -0.019 0.000 1.202 63 F HN 0.127 nan 8.300 nan 0.000 0.616 64 T N 0.566 115.168 114.554 0.081 0.000 3.341 64 T HA 0.337 4.688 4.350 0.001 0.000 0.234 64 T C 0.212 174.946 174.700 0.056 0.000 0.890 64 T CA -0.820 61.306 62.100 0.044 0.000 0.952 64 T CB -0.812 68.068 68.868 0.021 0.000 1.146 64 T HN 0.612 nan 8.240 nan 0.000 0.591 65 R N -1.059 119.485 120.500 0.074 0.000 2.512 65 R HA 0.640 4.981 4.340 0.001 0.000 0.291 65 R C 0.209 176.540 176.300 0.052 0.000 1.097 65 R CA -0.930 55.196 56.100 0.043 0.000 0.940 65 R CB 0.894 31.191 30.300 -0.005 0.000 1.198 65 R HN 0.154 nan 8.270 nan 0.000 0.429 66 G N 1.501 110.328 108.800 0.045 0.000 2.240 66 G HA2 -0.126 3.834 3.960 0.001 0.000 0.181 66 G HA3 -0.126 3.834 3.960 0.001 0.000 0.181 66 G C 0.089 174.998 174.900 0.016 0.000 1.028 66 G CA 0.041 45.165 45.100 0.039 0.000 0.760 66 G HN 0.552 nan 8.290 nan 0.000 0.508 67 V N -1.623 118.308 119.914 0.028 0.000 3.090 67 V HA 0.281 4.402 4.120 0.001 0.000 0.237 67 V C 0.784 176.909 176.094 0.052 0.000 1.209 67 V CA 0.258 62.569 62.300 0.018 0.000 1.209 67 V CB -0.244 31.593 31.823 0.025 0.000 0.971 67 V HN 0.094 nan 8.190 nan 0.000 0.477 68 D N 3.064 123.532 120.400 0.114 0.000 2.570 68 D HA 0.328 4.969 4.640 0.001 0.000 0.243 68 D C 0.361 176.777 176.300 0.194 0.000 1.171 68 D CA 0.914 55.056 54.000 0.236 0.000 0.879 68 D CB 0.822 41.736 40.800 0.189 0.000 1.143 68 D HN 0.561 nan 8.370 nan 0.000 0.511 69 A N 3.139 126.038 122.820 0.131 0.000 2.354 69 A HA 0.475 4.796 4.320 0.001 0.000 0.281 69 A C -0.417 177.201 177.584 0.058 0.000 1.174 69 A CA -0.643 51.357 52.037 -0.061 0.000 0.828 69 A CB -0.084 18.577 19.000 -0.564 0.000 1.099 69 A HN 0.459 nan 8.150 nan 0.000 0.516 70 L N 2.319 123.600 121.223 0.096 0.000 2.329 70 L HA 0.577 4.918 4.340 0.001 0.000 0.279 70 L C 0.032 176.972 176.870 0.117 0.000 1.014 70 L CA -0.989 53.936 54.840 0.143 0.000 0.814 70 L CB 0.918 43.060 42.059 0.139 0.000 1.257 70 L HN 0.246 nan 8.230 nan 0.000 0.424 71 V N 3.311 123.289 119.914 0.108 0.000 2.475 71 V HA -0.143 3.977 4.120 0.001 0.000 0.292 71 V C 1.002 177.170 176.094 0.122 0.000 1.003 71 V CA 0.528 62.883 62.300 0.092 0.000 1.120 71 V CB -0.521 31.339 31.823 0.060 0.000 0.937 71 V HN 0.908 nan 8.190 nan 0.000 0.476 72 Y N 3.168 123.501 120.300 0.056 0.000 2.517 72 Y HA 0.372 4.923 4.550 0.002 0.000 0.281 72 Y C 0.659 176.592 175.900 0.055 0.000 1.125 72 Y CA 0.394 58.520 58.100 0.044 0.000 1.283 72 Y CB 0.250 38.725 38.460 0.024 0.000 1.042 72 Y HN 0.676 nan 8.280 nan 0.000 0.547 73 E N -0.258 119.775 120.200 -0.279 0.000 2.401 73 E HA 0.536 4.887 4.350 0.001 0.000 0.283 73 E C -2.323 174.186 176.600 -0.152 0.000 1.053 73 E CA -0.863 55.433 56.400 -0.174 0.000 0.842 73 E CB 1.781 31.365 29.700 -0.192 0.000 1.222 73 E HN -0.043 nan 8.360 nan 0.000 0.429 74 V N 1.994 121.879 119.914 -0.047 0.000 2.971 74 V HA 0.416 4.537 4.120 0.001 0.000 0.309 74 V C -1.437 174.627 176.094 -0.050 0.000 1.130 74 V CA -0.715 61.596 62.300 0.018 0.000 0.964 74 V CB 2.135 34.051 31.823 0.156 0.000 1.029 74 V HN 0.817 nan 8.190 nan 0.000 0.427 75 D N 1.781 122.116 120.400 -0.109 0.000 2.404 75 D HA 0.284 4.925 4.640 0.001 0.000 0.267 75 D C 0.982 177.073 176.300 -0.348 0.000 1.194 75 D CA -0.240 53.658 54.000 -0.170 0.000 0.910 75 D CB 0.942 41.688 40.800 -0.089 0.000 1.090 75 D HN 0.604 nan 8.370 nan 0.000 0.511 76 E N 2.272 122.142 120.200 -0.550 0.000 2.246 76 E HA -0.309 4.042 4.350 0.001 0.000 0.232 76 E C 0.334 176.598 176.600 -0.561 0.000 1.087 76 E CA 1.614 57.483 56.400 -0.886 0.000 0.964 76 E CB 0.046 29.479 29.700 -0.444 0.000 0.827 76 E HN 0.465 nan 8.360 nan 0.000 0.476 77 A N 0.121 122.774 122.820 -0.279 0.000 3.264 77 A HA 0.332 4.652 4.320 0.001 0.000 0.299 77 A C 0.873 178.402 177.584 -0.093 0.000 1.272 77 A CA -0.094 51.860 52.037 -0.140 0.000 1.030 77 A CB 0.077 19.025 19.000 -0.087 0.000 1.102 77 A HN 0.200 nan 8.150 nan 0.000 0.615 78 R N -0.630 119.816 120.500 -0.090 0.000 2.425 78 R HA 0.145 4.485 4.340 0.001 0.000 0.299 78 R C 0.087 176.393 176.300 0.010 0.000 0.830 78 R CA 0.519 56.599 56.100 -0.033 0.000 1.052 78 R CB -0.172 30.111 30.300 -0.028 0.000 1.747 78 R HN 0.249 nan 8.270 nan 0.000 0.472 79 E N 0.142 120.336 120.200 -0.010 0.000 2.539 79 E HA -0.226 4.125 4.350 0.001 0.000 0.253 79 E C -1.168 175.520 176.600 0.146 0.000 1.145 79 E CA 1.036 57.484 56.400 0.080 0.000 0.738 79 E CB -0.816 29.002 29.700 0.197 0.000 1.308 79 E HN 0.300 nan 8.360 nan 0.000 0.409 80 L N -0.196 121.068 121.223 0.068 0.000 2.309 80 L HA 0.522 4.863 4.340 0.001 0.000 0.282 80 L C -0.143 176.809 176.870 0.136 0.000 1.036 80 L CA 0.205 55.097 54.840 0.087 0.000 0.806 80 L CB 1.761 43.823 42.059 0.005 0.000 1.220 80 L HN 0.010 nan 8.230 nan 0.000 0.429 81 T N 3.435 118.048 114.554 0.099 0.000 3.504 81 T HA 0.286 4.637 4.350 0.001 0.000 0.286 81 T C -0.354 174.385 174.700 0.065 0.000 1.530 81 T CA -0.643 61.511 62.100 0.090 0.000 1.652 81 T CB -0.279 68.597 68.868 0.014 0.000 0.895 81 T HN 0.500 nan 8.240 nan 0.000 0.674 82 K N 2.205 122.526 120.400 -0.131 0.000 2.412 82 K HA 0.381 4.702 4.320 0.001 0.000 0.284 82 K C -0.349 176.172 176.600 -0.133 0.000 1.046 82 K CA 0.172 56.328 56.287 -0.218 0.000 0.999 82 K CB 0.410 32.523 32.500 -0.646 0.000 0.941 82 K HN 0.477 nan 8.250 nan 0.000 0.474 83 I N 2.228 122.949 120.570 0.252 0.000 2.406 83 I HA 0.256 4.426 4.170 0.001 0.000 0.290 83 I C -0.235 176.067 176.117 0.309 0.000 0.999 83 I CA -0.860 60.596 61.300 0.260 0.000 1.124 83 I CB 2.004 40.075 38.000 0.120 0.000 1.289 83 I HN 0.586 nan 8.210 nan 0.000 0.441 84 A N 6.595 129.575 122.820 0.267 0.000 2.316 84 A HA 0.507 4.828 4.320 0.001 0.000 0.311 84 A C -1.100 176.568 177.584 0.140 0.000 1.339 84 A CA -0.139 51.994 52.037 0.160 0.000 0.960 84 A CB -0.343 18.585 19.000 -0.120 0.000 1.152 84 A HN 0.583 nan 8.150 nan 0.000 0.547 85 Y N 3.741 124.288 120.300 0.411 0.000 2.425 85 Y HA 0.313 4.863 4.550 0.001 0.000 0.347 85 Y C -2.043 173.932 175.900 0.125 0.000 0.976 85 Y CA -2.148 56.104 58.100 0.253 0.000 1.190 85 Y CB 0.476 39.023 38.460 0.145 0.000 1.136 85 Y HN 0.535 nan 8.280 nan 0.000 0.517 86 P HA -0.108 nan 4.420 nan 0.000 0.267 86 P C 0.658 177.879 177.300 -0.132 0.000 1.195 86 P CA 0.303 63.081 63.100 -0.536 0.000 0.773 86 P CB 0.882 32.391 31.700 -0.318 0.000 0.837 87 V N 1.846 121.699 119.914 -0.101 0.000 2.535 87 V HA -0.166 3.955 4.120 0.001 0.000 0.246 87 V C 2.378 178.502 176.094 0.049 0.000 1.045 87 V CA 1.793 64.113 62.300 0.033 0.000 1.058 87 V CB -1.989 29.817 31.823 -0.028 0.000 0.689 87 V HN 0.630 nan 8.190 nan 0.000 0.461 88 A N 2.026 124.842 122.820 -0.007 0.000 2.054 88 A HA -0.277 4.044 4.320 0.001 0.000 0.225 88 A C 1.940 179.505 177.584 -0.032 0.000 1.209 88 A CA 2.649 54.678 52.037 -0.013 0.000 0.678 88 A CB -0.827 18.155 19.000 -0.029 0.000 0.823 88 A HN 0.651 nan 8.150 nan 0.000 0.484 89 L N -3.401 117.767 121.223 -0.091 0.000 2.552 89 L HA 0.320 4.661 4.340 0.001 0.000 0.227 89 L C 0.224 176.943 176.870 -0.252 0.000 1.146 89 L CA 0.081 54.812 54.840 -0.182 0.000 0.858 89 L CB -1.674 40.263 42.059 -0.203 0.000 0.969 89 L HN 0.157 nan 8.230 nan 0.000 0.451 90 F N 1.169 121.026 119.950 -0.156 0.000 2.410 90 F HA 0.366 4.894 4.527 0.001 0.000 0.348 90 F C 0.951 176.694 175.800 -0.096 0.000 1.106 90 F CA -0.789 57.107 58.000 -0.174 0.000 1.163 90 F CB 0.361 39.120 39.000 -0.401 0.000 1.129 90 F HN -0.099 nan 8.300 nan 0.000 0.516 91 D N 2.866 123.350 120.400 0.140 0.000 2.341 91 D HA 0.370 5.011 4.640 0.001 0.000 0.245 91 D C -0.076 176.257 176.300 0.054 0.000 1.106 91 D CA -0.009 54.030 54.000 0.064 0.000 0.905 91 D CB 0.758 41.580 40.800 0.036 0.000 1.202 91 D HN 0.489 nan 8.370 nan 0.000 0.426 92 R N 1.561 122.068 120.500 0.013 0.000 3.055 92 R HA 0.542 4.882 4.340 0.001 0.000 0.231 92 R C -0.345 175.936 176.300 -0.031 0.000 1.443 92 R CA -0.890 55.196 56.100 -0.023 0.000 1.063 92 R CB 0.741 31.031 30.300 -0.018 0.000 1.514 92 R HN 0.385 nan 8.270 nan 0.000 0.510 93 N N 0.509 119.184 118.700 -0.041 0.000 2.384 93 N HA 0.243 4.984 4.740 0.001 0.000 0.301 93 N C 0.756 176.250 175.510 -0.026 0.000 1.133 93 N CA -0.327 52.703 53.050 -0.034 0.000 0.853 93 N CB 1.670 40.133 38.487 -0.041 0.000 1.241 93 N HN 0.572 nan 8.380 nan 0.000 0.502 94 I N -1.481 119.077 120.570 -0.020 0.000 2.339 94 I HA 0.034 4.205 4.170 0.001 0.000 0.245 94 I C 0.844 176.952 176.117 -0.015 0.000 1.096 94 I CA 0.774 62.064 61.300 -0.016 0.000 1.408 94 I CB -0.291 37.702 38.000 -0.012 0.000 1.092 94 I HN 0.329 nan 8.210 nan 0.000 0.423 95 T N -0.925 113.619 114.554 -0.016 0.000 3.145 95 T HA 0.559 4.910 4.350 0.001 0.000 0.362 95 T C -0.343 174.344 174.700 -0.021 0.000 1.340 95 T CA -0.321 61.770 62.100 -0.015 0.000 1.069 95 T CB 1.218 70.079 68.868 -0.013 0.000 1.129 95 T HN 0.551 nan 8.240 nan 0.000 0.585 96 D N 2.286 122.673 120.400 -0.022 0.000 1.531 96 D HA 0.009 4.650 4.640 0.001 0.000 0.277 96 D C 1.421 177.702 176.300 -0.032 0.000 0.357 96 D CA 1.658 55.641 54.000 -0.028 0.000 1.010 96 D CB -1.028 39.751 40.800 -0.036 0.000 1.794 96 D HN 1.071 nan 8.370 nan 0.000 0.770 97 G N 1.261 110.039 108.800 -0.035 0.000 2.157 97 G HA2 -0.234 3.726 3.960 0.001 0.000 0.248 97 G HA3 -0.234 3.726 3.960 0.001 0.000 0.248 97 G C 0.073 174.938 174.900 -0.058 0.000 0.979 97 G CA 0.808 45.885 45.100 -0.038 0.000 0.650 97 G HN 0.458 nan 8.290 nan 0.000 0.529 98 K N 0.437 120.790 120.400 -0.078 0.000 2.087 98 K HA 0.709 5.030 4.320 0.001 0.000 0.255 98 K C 0.847 177.330 176.600 -0.195 0.000 0.988 98 K CA -0.034 56.173 56.287 -0.133 0.000 0.915 98 K CB 1.468 33.900 32.500 -0.114 0.000 1.043 98 K HN 0.479 nan 8.250 nan 0.000 0.457 99 A N 2.001 124.592 122.820 -0.381 0.000 2.386 99 A HA 0.386 4.707 4.320 0.001 0.000 0.246 99 A C -0.062 177.176 177.584 -0.576 0.000 1.089 99 A CA -0.100 51.531 52.037 -0.676 0.000 0.790 99 A CB -0.146 17.982 19.000 -1.453 0.000 1.042 99 A HN 0.755 nan 8.150 nan 0.000 0.497 100 M N 0.707 120.049 119.600 -0.430 0.000 2.322 100 M HA 0.414 4.895 4.480 0.001 0.000 0.286 100 M C -0.151 176.248 176.300 0.165 0.000 1.111 100 M CA -0.625 54.625 55.300 -0.083 0.000 0.941 100 M CB 1.371 33.958 32.600 -0.020 0.000 1.671 100 M HN 0.365 nan 8.290 nan 0.000 0.470 101 I N 1.966 122.749 120.570 0.355 0.000 2.286 101 I HA -0.167 4.003 4.170 0.001 0.000 0.248 101 I C 2.449 178.724 176.117 0.264 0.000 1.115 101 I CA 2.017 63.535 61.300 0.362 0.000 1.392 101 I CB -0.766 37.340 38.000 0.177 0.000 1.065 101 I HN 1.092 nan 8.210 nan 0.000 0.418 102 A N -0.719 122.193 122.820 0.153 0.000 2.032 102 A HA -0.230 4.091 4.320 0.001 0.000 0.221 102 A C 2.581 180.227 177.584 0.103 0.000 1.165 102 A CA 2.265 54.354 52.037 0.086 0.000 0.645 102 A CB -0.524 18.501 19.000 0.041 0.000 0.807 102 A HN 0.423 nan 8.150 nan 0.000 0.453 103 S N -2.379 113.425 115.700 0.173 0.000 2.468 103 S HA 0.075 4.545 4.470 0.001 0.000 0.226 103 S C 1.437 176.175 174.600 0.230 0.000 1.051 103 S CA 0.478 58.774 58.200 0.160 0.000 0.943 103 S CB -0.329 62.973 63.200 0.170 0.000 0.810 103 S HN 0.645 nan 8.310 nan 0.000 0.509 104 F N 1.762 121.883 119.950 0.285 0.000 2.451 104 F HA 0.128 4.656 4.527 0.001 0.000 0.299 104 F C 1.142 176.967 175.800 0.042 0.000 1.101 104 F CA 0.966 59.177 58.000 0.352 0.000 1.436 104 F CB -0.024 39.259 39.000 0.471 0.000 1.074 104 F HN 0.157 nan 8.300 nan 0.000 0.553 105 L N -0.796 120.461 121.223 0.056 0.000 2.408 105 L HA 0.040 4.380 4.340 0.001 0.000 0.215 105 L C 2.193 178.981 176.870 -0.136 0.000 1.081 105 L CA 1.050 55.831 54.840 -0.099 0.000 0.840 105 L CB -0.780 41.276 42.059 -0.006 0.000 1.002 105 L HN -0.025 nan 8.230 nan 0.000 0.468 106 T N -0.631 113.867 114.554 -0.094 0.000 2.995 106 T HA -0.107 4.244 4.350 0.001 0.000 0.269 106 T C 1.821 176.410 174.700 -0.184 0.000 1.091 106 T CA 0.969 63.002 62.100 -0.112 0.000 1.128 106 T CB -0.100 68.727 68.868 -0.070 0.000 0.891 106 T HN 0.133 nan 8.240 nan 0.000 0.492 107 L N 1.400 122.464 121.223 -0.265 0.000 2.127 107 L HA 0.054 4.395 4.340 0.001 0.000 0.203 107 L C 2.511 179.113 176.870 -0.447 0.000 1.080 107 L CA 1.396 56.001 54.840 -0.393 0.000 0.768 107 L CB -0.008 41.702 42.059 -0.582 0.000 0.924 107 L HN 0.388 nan 8.230 nan 0.000 0.444 108 T N -4.555 109.701 114.554 -0.497 0.000 3.040 108 T HA 0.288 4.639 4.350 0.001 0.000 0.266 108 T C 0.539 175.128 174.700 -0.185 0.000 1.005 108 T CA -0.228 61.635 62.100 -0.395 0.000 0.906 108 T CB 0.384 68.931 68.868 -0.535 0.000 1.082 108 T HN 0.117 nan 8.240 nan 0.000 0.531 109 M N 0.982 120.490 119.600 -0.152 0.000 5.002 109 M HA 0.446 4.926 4.480 0.001 0.000 0.592 109 M C 0.679 176.947 176.300 -0.053 0.000 2.251 109 M CA -0.337 54.945 55.300 -0.030 0.000 0.437 109 M CB 1.273 33.943 32.600 0.117 0.000 1.452 109 M HN 0.302 nan 8.290 nan 0.000 0.641 110 G N -0.054 108.669 108.800 -0.128 0.000 2.930 110 G HA2 0.150 4.111 3.960 0.001 0.000 0.209 110 G HA3 0.150 4.111 3.960 0.001 0.000 0.209 110 G C 0.794 175.616 174.900 -0.132 0.000 2.018 110 G CA 0.029 45.061 45.100 -0.113 0.000 0.751 110 G HN 0.303 nan 8.290 nan 0.000 0.770 111 N N 0.964 119.568 118.700 -0.160 0.000 2.104 111 N HA -0.115 4.626 4.740 0.001 0.000 0.190 111 N C 1.950 177.323 175.510 -0.228 0.000 1.024 111 N CA 1.226 54.178 53.050 -0.164 0.000 0.853 111 N CB -0.616 37.784 38.487 -0.146 0.000 1.008 111 N HN 0.375 nan 8.380 nan 0.000 0.424 112 N N 0.487 118.984 118.700 -0.338 0.000 2.217 112 N HA -0.243 4.498 4.740 0.001 0.000 0.195 112 N C 0.788 176.114 175.510 -0.306 0.000 0.950 112 N CA 1.572 54.301 53.050 -0.534 0.000 0.910 112 N CB -0.329 37.844 38.487 -0.524 0.000 1.073 112 N HN 0.235 nan 8.380 nan 0.000 0.663 113 Q N -1.148 118.566 119.800 -0.143 0.000 2.307 113 Q HA 0.268 4.609 4.340 0.001 0.000 0.216 113 Q C 0.901 176.879 176.000 -0.036 0.000 0.931 113 Q CA 0.437 56.221 55.803 -0.031 0.000 0.953 113 Q CB -0.127 28.610 28.738 -0.001 0.000 1.006 113 Q HN 0.479 nan 8.270 nan 0.000 0.472 114 G N -1.682 107.074 108.800 -0.073 0.000 2.626 114 G HA2 0.137 4.098 3.960 0.001 0.000 0.193 114 G HA3 0.137 4.098 3.960 0.001 0.000 0.193 114 G C 0.211 175.066 174.900 -0.074 0.000 1.195 114 G CA -0.380 44.682 45.100 -0.063 0.000 0.864 114 G HN 0.218 nan 8.290 nan 0.000 0.790 115 M N 1.550 121.078 119.600 -0.120 0.000 2.245 115 M HA 0.227 4.707 4.480 0.001 0.000 0.335 115 M C 1.667 177.905 176.300 -0.103 0.000 1.155 115 M CA 0.699 55.913 55.300 -0.143 0.000 1.055 115 M CB 1.009 33.452 32.600 -0.261 0.000 1.670 115 M HN 0.082 nan 8.290 nan 0.000 0.447 116 G N 0.918 109.668 108.800 -0.084 0.000 3.042 116 G HA2 -0.069 3.892 3.960 0.001 0.000 0.212 116 G HA3 -0.069 3.892 3.960 0.001 0.000 0.212 116 G C 0.586 175.408 174.900 -0.130 0.000 1.166 116 G CA 0.153 45.217 45.100 -0.061 0.000 0.767 116 G HN 0.878 nan 8.290 nan 0.000 0.546 117 D N -0.113 120.126 120.400 -0.270 0.000 2.433 117 D HA 0.102 4.743 4.640 0.001 0.000 0.211 117 D C 0.363 176.389 176.300 -0.456 0.000 1.114 117 D CA -0.169 53.444 54.000 -0.645 0.000 0.837 117 D CB 0.238 40.522 40.800 -0.860 0.000 0.984 117 D HN 0.068 nan 8.370 nan 0.000 0.505 118 V N 0.825 120.576 119.914 -0.272 0.000 2.815 118 V HA 0.344 4.465 4.120 0.001 0.000 0.314 118 V C 1.008 176.998 176.094 -0.173 0.000 1.064 118 V CA -0.618 61.544 62.300 -0.230 0.000 0.952 118 V CB 2.031 33.750 31.823 -0.173 0.000 1.020 118 V HN 0.113 nan 8.190 nan 0.000 0.439 119 E N 2.457 122.512 120.200 -0.240 0.000 2.256 119 E HA 0.154 4.505 4.350 0.001 0.000 0.198 119 E C -0.152 176.442 176.600 -0.011 0.000 0.908 119 E CA 0.480 56.776 56.400 -0.172 0.000 0.915 119 E CB 0.516 30.032 29.700 -0.307 0.000 0.890 119 E HN 0.730 nan 8.360 nan 0.000 0.484 120 Y N -1.829 118.463 120.300 -0.014 0.000 2.624 120 Y HA 0.800 5.350 4.550 0.000 0.000 0.334 120 Y C -1.449 174.431 175.900 -0.033 0.000 1.155 120 Y CA -1.611 56.488 58.100 -0.001 0.000 1.046 120 Y CB 0.822 39.293 38.460 0.018 0.000 1.316 120 Y HN 0.079 nan 8.280 nan 0.000 0.457 121 A N 2.569 125.533 122.820 0.241 0.000 2.491 121 A HA 0.704 5.024 4.320 0.001 0.000 0.293 121 A C -1.885 175.832 177.584 0.221 0.000 1.047 121 A CA -0.862 51.238 52.037 0.105 0.000 0.735 121 A CB 1.846 20.759 19.000 -0.143 0.000 1.281 121 A HN 0.594 nan 8.150 nan 0.000 0.398 122 K N 2.549 123.092 120.400 0.238 0.000 2.378 122 K HA 0.475 4.795 4.320 0.001 0.000 0.252 122 K C -1.012 175.652 176.600 0.108 0.000 0.931 122 K CA -0.558 55.790 56.287 0.101 0.000 0.794 122 K CB 1.954 34.433 32.500 -0.035 0.000 1.181 122 K HN 0.921 nan 8.250 nan 0.000 0.425 123 M N 4.095 123.768 119.600 0.123 0.000 2.185 123 M HA 0.142 4.622 4.480 0.001 0.000 0.357 123 M C 0.238 176.481 176.300 -0.095 0.000 1.260 123 M CA 0.185 55.524 55.300 0.065 0.000 1.124 123 M CB 0.524 33.211 32.600 0.146 0.000 1.600 123 M HN 0.654 nan 8.290 nan 0.000 0.467 124 H N 1.524 120.737 119.070 0.238 0.000 2.695 124 H HA 0.319 4.875 4.556 0.001 0.000 0.267 124 H C -0.493 175.186 175.328 0.584 0.000 0.973 124 H CA 0.228 56.528 56.048 0.421 0.000 1.223 124 H CB 0.849 30.925 29.762 0.523 0.000 1.442 124 H HN 0.645 nan 8.280 nan 0.000 0.478 125 D N -0.819 119.981 120.400 0.667 0.000 2.665 125 D HA 0.293 4.934 4.640 0.001 0.000 0.287 125 D C -1.394 175.403 176.300 0.828 0.000 1.266 125 D CA -0.569 53.931 54.000 0.832 0.000 0.830 125 D CB 1.816 43.163 40.800 0.911 0.000 1.356 125 D HN -0.063 nan 8.370 nan 0.000 0.437 126 F N -0.565 119.732 119.950 0.578 0.000 2.686 126 F HA 0.722 5.250 4.527 0.001 0.000 0.311 126 F C -1.997 173.939 175.800 0.227 0.000 1.128 126 F CA -1.155 57.064 58.000 0.364 0.000 0.946 126 F CB 0.935 40.140 39.000 0.341 0.000 1.336 126 F HN 0.221 nan 8.300 nan 0.000 0.457 127 Y N 1.457 121.789 120.300 0.053 0.000 2.433 127 Y HA 0.703 5.254 4.550 0.001 0.000 0.337 127 Y C -1.690 174.231 175.900 0.036 0.000 1.026 127 Y CA -1.649 56.349 58.100 -0.171 0.000 1.037 127 Y CB 2.204 40.392 38.460 -0.453 0.000 1.245 127 Y HN 0.710 nan 8.280 nan 0.000 0.443 128 V N 6.761 126.228 119.914 -0.744 0.000 2.376 128 V HA 0.543 4.664 4.120 0.001 0.000 0.287 128 V C -2.475 173.105 176.094 -0.857 0.000 1.015 128 V CA -2.096 59.899 62.300 -0.507 0.000 0.834 128 V CB 0.958 32.539 31.823 -0.403 0.000 1.001 128 V HN 0.609 nan 8.190 nan 0.000 0.428 129 P HA 0.071 nan 4.420 nan 0.000 0.323 129 P C 0.842 178.004 177.300 -0.229 0.000 1.374 129 P CA 0.311 63.236 63.100 -0.292 0.000 0.798 129 P CB 0.659 32.350 31.700 -0.015 0.000 1.763 130 E N -0.967 119.183 120.200 -0.083 0.000 2.094 130 E HA 0.038 4.388 4.350 0.001 0.000 0.193 130 E C 2.010 178.590 176.600 -0.034 0.000 0.950 130 E CA 0.730 57.094 56.400 -0.060 0.000 0.842 130 E CB -1.246 28.448 29.700 -0.010 0.000 0.816 130 E HN 0.222 nan 8.360 nan 0.000 0.465 131 A N 1.698 124.523 122.820 0.008 0.000 1.883 131 A HA -0.316 4.005 4.320 0.001 0.000 0.232 131 A C 2.174 179.797 177.584 0.066 0.000 1.671 131 A CA 2.750 54.813 52.037 0.043 0.000 0.748 131 A CB -1.420 17.621 19.000 0.068 0.000 0.850 131 A HN 0.529 nan 8.150 nan 0.000 0.488 132 Y N -0.269 119.970 120.300 -0.102 0.000 2.347 132 Y HA 0.093 4.644 4.550 0.001 0.000 0.294 132 Y C 2.472 178.322 175.900 -0.084 0.000 1.117 132 Y CA 1.281 59.295 58.100 -0.143 0.000 1.184 132 Y CB -0.344 37.994 38.460 -0.204 0.000 1.047 132 Y HN 0.354 nan 8.280 nan 0.000 0.546 133 R N 0.416 120.747 120.500 -0.283 0.000 2.152 133 R HA -0.090 4.251 4.340 0.001 0.000 0.232 133 R C 1.575 177.820 176.300 -0.093 0.000 1.117 133 R CA 1.183 57.123 56.100 -0.267 0.000 0.981 133 R CB -0.332 29.755 30.300 -0.355 0.000 0.870 133 R HN 0.360 nan 8.270 nan 0.000 0.451 134 A N 0.280 123.041 122.820 -0.098 0.000 2.278 134 A HA 0.152 4.472 4.320 0.001 0.000 0.212 134 A C 1.538 179.078 177.584 -0.073 0.000 1.213 134 A CA 0.024 52.029 52.037 -0.053 0.000 0.840 134 A CB 0.099 19.074 19.000 -0.041 0.000 0.866 134 A HN 0.288 nan 8.150 nan 0.000 0.489 135 L N -1.273 119.856 121.223 -0.157 0.000 2.640 135 L HA 0.307 4.648 4.340 0.001 0.000 0.230 135 L C -0.512 176.210 176.870 -0.248 0.000 1.123 135 L CA -0.064 54.652 54.840 -0.207 0.000 0.900 135 L CB 0.023 41.930 42.059 -0.253 0.000 1.146 135 L HN 0.293 nan 8.230 nan 0.000 0.484 136 F N -0.430 119.387 119.950 -0.223 0.000 2.458 136 F HA 0.229 4.757 4.527 0.001 0.000 0.330 136 F C 1.324 177.051 175.800 -0.122 0.000 1.082 136 F CA -0.770 57.112 58.000 -0.196 0.000 0.995 136 F CB 0.987 39.820 39.000 -0.279 0.000 1.170 136 F HN -0.192 nan 8.300 nan 0.000 0.478 137 D N 1.612 122.085 120.400 0.122 0.000 2.160 137 D HA -0.024 4.616 4.640 0.001 0.000 0.189 137 D C 1.173 177.487 176.300 0.023 0.000 1.003 137 D CA 2.216 56.246 54.000 0.050 0.000 0.846 137 D CB -0.587 40.238 40.800 0.042 0.000 0.949 137 D HN 0.852 nan 8.370 nan 0.000 0.446 138 G N -0.177 108.629 108.800 0.010 0.000 2.825 138 G HA2 -0.178 3.783 3.960 0.001 0.000 0.684 138 G HA3 -0.178 3.783 3.960 0.001 0.000 0.684 138 G C -2.615 172.257 174.900 -0.047 0.000 1.528 138 G CA -0.744 44.344 45.100 -0.021 0.000 0.963 138 G HN 0.072 nan 8.290 nan 0.000 0.577 139 P HA 0.190 nan 4.420 nan 0.000 0.262 139 P C 0.808 178.073 177.300 -0.059 0.000 1.182 139 P CA 0.701 63.741 63.100 -0.101 0.000 0.761 139 P CB 1.352 32.967 31.700 -0.142 0.000 0.795 140 S N 2.738 118.411 115.700 -0.045 0.000 2.421 140 S HA 0.045 4.515 4.470 0.001 0.000 0.224 140 S C 0.847 175.447 174.600 0.000 0.000 1.035 140 S CA 0.952 59.144 58.200 -0.013 0.000 0.953 140 S CB -0.321 62.882 63.200 0.005 0.000 0.810 140 S HN 0.308 nan 8.310 nan 0.000 0.497 141 V N -1.201 118.712 119.914 -0.002 0.000 3.624 141 V HA 0.726 4.847 4.120 0.001 0.000 0.297 141 V C -0.528 175.568 176.094 0.004 0.000 1.319 141 V CA -0.875 61.446 62.300 0.035 0.000 0.990 141 V CB 0.951 32.836 31.823 0.104 0.000 1.247 141 V HN 0.508 nan 8.190 nan 0.000 0.476 142 N N -1.905 116.836 118.700 0.068 0.000 3.622 142 N HA 0.378 5.118 4.740 0.001 0.000 0.352 142 N C 0.428 176.028 175.510 0.149 0.000 1.559 142 N CA -0.221 52.860 53.050 0.051 0.000 0.801 142 N CB 1.653 40.066 38.487 -0.124 0.000 2.399 142 N HN 0.705 nan 8.380 nan 0.000 0.545 143 I N 0.675 121.123 120.570 -0.204 0.000 2.716 143 I HA -0.057 4.114 4.170 0.001 0.000 0.259 143 I C 2.008 177.577 176.117 -0.914 0.000 1.172 143 I CA 0.991 61.920 61.300 -0.619 0.000 1.478 143 I CB 0.013 37.577 38.000 -0.727 0.000 1.104 143 I HN 0.471 nan 8.210 nan 0.000 0.439 144 S N 1.067 116.337 115.700 -0.717 0.000 2.377 144 S HA -0.300 4.170 4.470 0.001 0.000 0.224 144 S C 2.238 176.793 174.600 -0.075 0.000 1.042 144 S CA 1.938 59.956 58.200 -0.304 0.000 1.086 144 S CB -0.475 62.688 63.200 -0.061 0.000 0.995 144 S HN 0.678 nan 8.310 nan 0.000 0.428 145 A N 0.315 123.104 122.820 -0.052 0.000 2.032 145 A HA -0.089 4.231 4.320 0.001 0.000 0.221 145 A C 2.015 179.611 177.584 0.020 0.000 1.165 145 A CA 1.648 53.699 52.037 0.022 0.000 0.645 145 A CB -0.604 18.428 19.000 0.053 0.000 0.807 145 A HN 0.500 nan 8.150 nan 0.000 0.453 146 L N -2.405 118.772 121.223 -0.077 0.000 2.084 146 L HA -0.040 4.301 4.340 0.001 0.000 0.202 146 L C 2.436 179.363 176.870 0.096 0.000 1.074 146 L CA 0.944 55.750 54.840 -0.057 0.000 0.757 146 L CB -0.843 41.084 42.059 -0.220 0.000 0.918 146 L HN 0.521 nan 8.230 nan 0.000 0.444 147 W N 0.979 122.283 121.300 0.007 0.000 2.304 147 W HA -0.206 4.455 4.660 0.001 0.000 0.315 147 W C 2.514 179.053 176.519 0.034 0.000 1.233 147 W CA 0.910 58.267 57.345 0.019 0.000 1.261 147 W CB -1.104 28.370 29.460 0.023 0.000 1.150 147 W HN 0.190 nan 8.180 nan 0.000 0.494 148 K N 0.061 120.614 120.400 0.254 0.000 1.988 148 K HA -0.208 4.112 4.320 0.001 0.000 0.221 148 K C 1.850 178.540 176.600 0.149 0.000 1.053 148 K CA 2.285 58.673 56.287 0.168 0.000 0.959 148 K CB -1.012 31.563 32.500 0.125 0.000 0.728 148 K HN -0.083 nan 8.250 nan 0.000 0.447 149 V N 1.684 121.684 119.914 0.144 0.000 2.546 149 V HA -0.218 3.903 4.120 0.001 0.000 0.254 149 V C 2.033 178.211 176.094 0.140 0.000 1.076 149 V CA 1.459 63.857 62.300 0.163 0.000 1.087 149 V CB -0.262 31.691 31.823 0.217 0.000 0.674 149 V HN 0.321 nan 8.190 nan 0.000 0.470 150 L N -0.316 120.986 121.223 0.131 0.000 2.567 150 L HA 0.304 4.645 4.340 0.001 0.000 0.225 150 L C 1.372 178.296 176.870 0.090 0.000 1.119 150 L CA 0.753 55.653 54.840 0.099 0.000 0.871 150 L CB -0.188 41.944 42.059 0.120 0.000 1.036 150 L HN 0.548 nan 8.230 nan 0.000 0.459 151 G N 1.867 110.728 108.800 0.102 0.000 2.368 151 G HA2 -0.254 3.707 3.960 0.001 0.000 0.290 151 G HA3 -0.254 3.707 3.960 0.001 0.000 0.290 151 G C -0.164 174.777 174.900 0.069 0.000 1.098 151 G CA -0.202 44.948 45.100 0.083 0.000 1.073 151 G HN 0.391 nan 8.290 nan 0.000 0.511 152 R N 0.587 121.135 120.500 0.080 0.000 2.599 152 R HA 0.507 4.848 4.340 0.001 0.000 0.295 152 R C -2.448 173.843 176.300 -0.016 0.000 0.963 152 R CA -2.150 53.944 56.100 -0.010 0.000 0.883 152 R CB 2.385 32.639 30.300 -0.075 0.000 1.171 152 R HN 0.149 nan 8.270 nan 0.000 0.450 153 P HA -0.060 nan 4.420 nan 0.000 0.260 153 P C -0.919 176.350 177.300 -0.052 0.000 1.185 153 P CA 0.163 63.216 63.100 -0.078 0.000 0.763 153 P CB 0.480 32.100 31.700 -0.133 0.000 0.776 154 E N 2.322 122.614 120.200 0.153 0.000 2.467 154 E HA 0.243 4.593 4.350 0.001 0.000 0.321 154 E C 0.029 176.835 176.600 0.343 0.000 1.388 154 E CA -0.192 56.470 56.400 0.436 0.000 1.508 154 E CB -0.711 29.212 29.700 0.371 0.000 1.250 154 E HN 0.273 nan 8.360 nan 0.000 0.500 155 V N -2.096 117.867 119.914 0.082 0.000 2.857 155 V HA 0.202 4.323 4.120 0.001 0.000 0.267 155 V C -1.096 174.810 176.094 -0.314 0.000 1.193 155 V CA -1.399 60.904 62.300 0.005 0.000 0.933 155 V CB 0.943 32.795 31.823 0.048 0.000 1.073 155 V HN 0.196 nan 8.190 nan 0.000 0.479 156 D N 2.421 122.527 120.400 -0.489 0.000 2.716 156 D HA -0.137 4.504 4.640 0.001 0.000 0.239 156 D C 1.433 177.316 176.300 -0.697 0.000 1.125 156 D CA 1.682 55.423 54.000 -0.432 0.000 0.681 156 D CB -0.987 39.739 40.800 -0.123 0.000 1.070 156 D HN 1.098 nan 8.370 nan 0.000 0.432 157 G N -0.115 107.624 108.800 -1.768 0.000 2.505 157 G HA2 0.332 4.293 3.960 0.001 0.000 0.214 157 G HA3 0.332 4.293 3.960 0.001 0.000 0.214 157 G C 1.053 175.493 174.900 -0.767 0.000 1.237 157 G CA 1.312 45.278 45.100 -1.890 0.000 0.802 157 G HN 1.217 nan 8.290 nan 0.000 0.549 158 G N -1.123 107.497 108.800 -0.300 0.000 2.342 158 G HA2 0.204 4.165 3.960 0.001 0.000 0.220 158 G HA3 0.204 4.165 3.960 0.001 0.000 0.220 158 G C -0.692 174.251 174.900 0.071 0.000 1.243 158 G CA -0.250 44.936 45.100 0.144 0.000 1.083 158 G HN 1.083 nan 8.290 nan 0.000 0.500 159 L N 0.741 121.613 121.223 -0.585 0.000 2.462 159 L HA 0.560 4.900 4.340 0.001 0.000 0.272 159 L C 0.936 177.527 176.870 -0.464 0.000 1.166 159 L CA 0.102 54.586 54.840 -0.593 0.000 0.880 159 L CB 1.010 42.468 42.059 -1.001 0.000 1.142 159 L HN 1.603 nan 8.230 nan 0.000 0.473 160 V N 6.790 126.559 119.914 -0.243 0.000 2.407 160 V HA 0.622 4.742 4.120 0.001 0.000 0.278 160 V C -0.336 175.670 176.094 -0.148 0.000 1.037 160 V CA -0.398 61.801 62.300 -0.168 0.000 0.900 160 V CB 1.448 33.197 31.823 -0.124 0.000 0.983 160 V HN 0.605 nan 8.190 nan 0.000 0.459 161 V N 5.834 125.722 119.914 -0.044 0.000 2.630 161 V HA 0.967 5.088 4.120 0.001 0.000 0.305 161 V C 0.888 177.091 176.094 0.181 0.000 1.046 161 V CA 0.370 62.689 62.300 0.032 0.000 0.934 161 V CB 0.856 32.735 31.823 0.093 0.000 1.003 161 V HN 1.165 nan 8.190 nan 0.000 0.451 162 G N 1.021 109.921 108.800 0.167 0.000 3.247 162 G HA2 0.786 4.747 3.960 0.001 0.000 0.199 162 G HA3 0.786 4.747 3.960 0.001 0.000 0.199 162 G C -0.669 174.220 174.900 -0.018 0.000 1.172 162 G CA -0.241 44.992 45.100 0.221 0.000 0.844 162 G HN 0.861 nan 8.290 nan 0.000 0.619 163 T N -1.034 113.335 114.554 -0.309 0.000 2.800 163 T HA 0.408 4.759 4.350 0.001 0.000 0.327 163 T C -1.875 172.617 174.700 -0.347 0.000 1.838 163 T CA -0.105 61.562 62.100 -0.721 0.000 1.024 163 T CB 0.929 68.451 68.868 -2.243 0.000 1.755 163 T HN 1.183 nan 8.240 nan 0.000 0.507 164 I N 1.455 121.878 120.570 -0.244 0.000 2.608 164 I HA 0.937 5.108 4.170 0.001 0.000 0.295 164 I C -0.742 175.387 176.117 0.020 0.000 1.049 164 I CA -1.063 60.183 61.300 -0.089 0.000 1.063 164 I CB 1.645 39.624 38.000 -0.034 0.000 1.248 164 I HN 0.757 nan 8.210 nan 0.000 0.424 165 I N 1.560 122.138 120.570 0.013 0.000 3.002 165 I HA 0.694 4.865 4.170 0.001 0.000 0.310 165 I C -0.996 175.148 176.117 0.045 0.000 1.087 165 I CA -0.824 60.540 61.300 0.106 0.000 1.017 165 I CB 1.990 40.036 38.000 0.077 0.000 1.226 165 I HN 0.382 nan 8.210 nan 0.000 0.443 166 K N 2.772 123.191 120.400 0.032 0.000 2.164 166 K HA 0.653 4.974 4.320 0.001 0.000 0.258 166 K C -2.542 174.087 176.600 0.050 0.000 0.951 166 K CA -1.552 54.729 56.287 -0.009 0.000 0.844 166 K CB 1.729 34.148 32.500 -0.136 0.000 1.099 166 K HN 0.514 nan 8.250 nan 0.000 0.435 167 P HA 0.327 nan 4.420 nan 0.000 0.289 167 P C 0.463 177.810 177.300 0.080 0.000 1.300 167 P CA -0.655 62.467 63.100 0.036 0.000 0.828 167 P CB 0.861 32.580 31.700 0.031 0.000 1.235 168 K N -0.163 120.270 120.400 0.055 0.000 1.991 168 K HA -0.046 4.275 4.320 0.001 0.000 0.212 168 K C 0.282 176.946 176.600 0.106 0.000 1.049 168 K CA 1.362 57.691 56.287 0.070 0.000 0.932 168 K CB -0.906 31.625 32.500 0.050 0.000 0.717 168 K HN 0.286 nan 8.250 nan 0.000 0.441 169 L N -0.675 120.623 121.223 0.124 0.000 2.342 169 L HA 0.435 4.775 4.340 0.001 0.000 0.271 169 L C 0.695 177.704 176.870 0.233 0.000 1.008 169 L CA -0.066 54.903 54.840 0.216 0.000 0.818 169 L CB 2.183 44.394 42.059 0.254 0.000 1.296 169 L HN 0.624 nan 8.230 nan 0.000 0.427 170 G N 1.423 110.471 108.800 0.414 0.000 3.532 170 G HA2 -0.133 3.828 3.960 0.001 0.000 0.196 170 G HA3 -0.133 3.828 3.960 0.001 0.000 0.196 170 G C -0.120 174.903 174.900 0.206 0.000 2.074 170 G CA -0.679 44.506 45.100 0.141 0.000 1.323 170 G HN 0.352 nan 8.290 nan 0.000 0.439 171 L N 2.479 123.840 121.223 0.229 0.000 2.492 171 L HA 0.428 4.768 4.340 0.001 0.000 0.280 171 L C 1.377 178.430 176.870 0.305 0.000 1.240 171 L CA -0.092 54.886 54.840 0.230 0.000 0.831 171 L CB 0.057 42.267 42.059 0.253 0.000 1.100 171 L HN 0.433 nan 8.230 nan 0.000 0.505 172 R N 1.372 122.021 120.500 0.248 0.000 2.602 172 R HA 0.359 4.700 4.340 0.001 0.000 0.237 172 R C -1.717 174.705 176.300 0.204 0.000 1.219 172 R CA -1.781 54.458 56.100 0.232 0.000 1.121 172 R CB -0.538 29.874 30.300 0.187 0.000 1.408 172 R HN 0.287 nan 8.270 nan 0.000 0.559 173 P HA -0.298 nan 4.420 nan 0.000 0.222 173 P C 0.815 178.220 177.300 0.176 0.000 1.159 173 P CA 1.801 64.973 63.100 0.120 0.000 0.920 173 P CB 0.106 31.850 31.700 0.073 0.000 0.793 174 K N -2.158 118.329 120.400 0.146 0.000 2.141 174 K HA 0.056 4.376 4.320 0.001 0.000 0.202 174 K C -0.658 176.021 176.600 0.131 0.000 1.045 174 K CA 0.749 57.109 56.287 0.122 0.000 0.971 174 K CB -1.254 31.295 32.500 0.081 0.000 0.795 174 K HN 0.060 nan 8.250 nan 0.000 0.459 175 P HA -0.175 nan 4.420 nan 0.000 0.216 175 P C 1.169 178.559 177.300 0.150 0.000 1.153 175 P CA 1.140 64.313 63.100 0.122 0.000 0.858 175 P CB -0.042 31.730 31.700 0.120 0.000 0.789 176 F N 0.633 120.622 119.950 0.064 0.000 2.000 176 F HA -0.163 4.364 4.527 0.001 0.000 0.295 176 F C 2.286 178.109 175.800 0.039 0.000 1.159 176 F CA 1.687 59.720 58.000 0.056 0.000 1.171 176 F CB -1.236 37.799 39.000 0.059 0.000 0.971 176 F HN -0.099 nan 8.300 nan 0.000 0.479 177 A N 0.480 123.466 122.820 0.277 0.000 1.997 177 A HA -0.451 3.870 4.320 0.001 0.000 0.237 177 A C 2.044 179.604 177.584 -0.040 0.000 1.807 177 A CA 2.861 54.981 52.037 0.139 0.000 0.863 177 A CB -1.703 17.374 19.000 0.128 0.000 0.821 177 A HN 0.632 nan 8.150 nan 0.000 0.500 178 E N -0.789 119.428 120.200 0.028 0.000 2.233 178 E HA -0.179 4.171 4.350 0.001 0.000 0.199 178 E C 2.249 178.857 176.600 0.015 0.000 1.004 178 E CA 1.123 57.576 56.400 0.089 0.000 0.819 178 E CB -0.351 29.408 29.700 0.098 0.000 0.738 178 E HN 0.678 nan 8.360 nan 0.000 0.478 179 A N 0.429 123.177 122.820 -0.119 0.000 1.877 179 A HA -0.219 4.102 4.320 0.001 0.000 0.216 179 A C 2.342 179.797 177.584 -0.215 0.000 1.186 179 A CA 1.278 53.220 52.037 -0.159 0.000 0.620 179 A CB -0.975 17.904 19.000 -0.203 0.000 0.822 179 A HN 0.475 nan 8.150 nan 0.000 0.443 180 C N -0.706 118.347 119.300 -0.411 0.000 2.432 180 C HA -0.073 4.388 4.460 0.001 0.000 0.282 180 C C 2.566 177.309 174.990 -0.412 0.000 1.388 180 C CA 1.144 59.797 59.018 -0.608 0.000 1.777 180 C CB -1.570 25.627 27.740 -0.906 0.000 1.882 180 C HN 0.777 nan 8.230 nan 0.000 0.520 181 H N -0.367 118.652 119.070 -0.084 0.000 2.415 181 H HA 0.045 4.602 4.556 0.001 0.000 0.297 181 H C 2.237 177.665 175.328 0.167 0.000 1.048 181 H CA 1.233 57.441 56.048 0.265 0.000 1.365 181 H CB -0.187 29.691 29.762 0.194 0.000 1.421 181 H HN 0.405 nan 8.280 nan 0.000 0.533 182 A N 0.320 123.037 122.820 -0.171 0.000 2.070 182 A HA -0.118 4.203 4.320 0.001 0.000 0.220 182 A C 1.856 179.362 177.584 -0.130 0.000 1.159 182 A CA 1.026 52.919 52.037 -0.239 0.000 0.656 182 A CB -0.852 18.064 19.000 -0.139 0.000 0.800 182 A HN 0.526 nan 8.150 nan 0.000 0.453 183 F N -2.533 117.316 119.950 -0.168 0.000 2.717 183 F HA 0.189 4.717 4.527 0.001 0.000 0.297 183 F C 1.584 177.353 175.800 -0.053 0.000 1.113 183 F CA -0.325 57.579 58.000 -0.159 0.000 1.319 183 F CB 0.094 38.969 39.000 -0.208 0.000 1.097 183 F HN 0.316 nan 8.300 nan 0.000 0.595 184 W N -0.014 121.318 121.300 0.053 0.000 2.465 184 W HA -0.114 4.547 4.660 0.001 0.000 0.268 184 W C 1.696 178.184 176.519 -0.053 0.000 1.242 184 W CA 0.678 58.048 57.345 0.042 0.000 1.248 184 W CB -0.652 28.849 29.460 0.068 0.000 1.118 184 W HN 0.012 nan 8.180 nan 0.000 0.587 185 L N -0.401 120.857 121.223 0.059 0.000 2.027 185 L HA 0.013 4.354 4.340 0.001 0.000 0.206 185 L C 2.026 178.778 176.870 -0.197 0.000 1.074 185 L CA 1.900 56.686 54.840 -0.089 0.000 0.745 185 L CB -1.555 40.406 42.059 -0.164 0.000 0.898 185 L HN -0.080 nan 8.230 nan 0.000 0.433 186 G N -1.244 107.298 108.800 -0.429 0.000 4.975 186 G HA2 0.551 4.512 3.960 0.001 0.000 0.312 186 G HA3 0.551 4.512 3.960 0.001 0.000 0.312 186 G C 0.107 174.650 174.900 -0.596 0.000 1.425 186 G CA 0.378 45.163 45.100 -0.525 0.000 1.076 186 G HN 0.565 nan 8.290 nan 0.000 0.586 187 G N 0.081 108.768 108.800 -0.187 0.000 2.359 187 G HA2 0.269 4.229 3.960 0.001 0.000 0.293 187 G HA3 0.269 4.229 3.960 0.001 0.000 0.293 187 G C -0.688 174.351 174.900 0.231 0.000 1.300 187 G CA -0.339 44.827 45.100 0.109 0.000 0.888 187 G HN -0.007 nan 8.290 nan 0.000 0.541 188 D N -1.080 119.495 120.400 0.292 0.000 2.500 188 D HA 0.177 4.818 4.640 0.001 0.000 0.218 188 D C -0.350 176.213 176.300 0.439 0.000 1.140 188 D CA 0.287 54.488 54.000 0.336 0.000 0.830 188 D CB 1.520 42.451 40.800 0.218 0.000 1.055 188 D HN 0.131 nan 8.370 nan 0.000 0.512 189 F N 1.848 121.941 119.950 0.239 0.000 2.496 189 F HA 0.435 4.963 4.527 0.001 0.000 0.341 189 F C -1.394 174.445 175.800 0.066 0.000 1.134 189 F CA -0.940 57.151 58.000 0.151 0.000 0.968 189 F CB 0.911 39.918 39.000 0.012 0.000 1.205 189 F HN -0.369 nan 8.300 nan 0.000 0.436 190 I N 5.996 126.321 120.570 -0.409 0.000 2.433 190 I HA 0.354 4.525 4.170 0.001 0.000 0.292 190 I C -0.852 174.785 176.117 -0.799 0.000 1.001 190 I CA -0.657 60.376 61.300 -0.445 0.000 1.119 190 I CB 2.106 39.788 38.000 -0.531 0.000 1.289 190 I HN 0.499 nan 8.210 nan 0.000 0.438 191 K N 4.865 124.988 120.400 -0.463 0.000 2.118 191 K HA 0.522 4.843 4.320 0.001 0.000 0.254 191 K C -0.503 175.866 176.600 -0.385 0.000 0.961 191 K CA -0.769 55.175 56.287 -0.571 0.000 0.876 191 K CB 0.893 33.236 32.500 -0.261 0.000 1.077 191 K HN 0.631 nan 8.250 nan 0.000 0.440 192 N N 1.954 120.381 118.700 -0.455 0.000 2.520 192 N HA 0.018 4.759 4.740 0.001 0.000 0.273 192 N C -0.803 174.609 175.510 -0.164 0.000 1.155 192 N CA -0.726 52.251 53.050 -0.122 0.000 0.967 192 N CB 0.438 38.859 38.487 -0.109 0.000 1.092 192 N HN 0.502 nan 8.380 nan 0.000 0.457 193 N N 1.730 120.378 118.700 -0.086 0.000 2.525 193 N HA -0.050 4.690 4.740 0.001 0.000 0.271 193 N C 0.936 176.374 175.510 -0.119 0.000 1.194 193 N CA -0.191 52.791 53.050 -0.114 0.000 0.964 193 N CB 1.076 39.544 38.487 -0.031 0.000 1.126 193 N HN 0.729 nan 8.380 nan 0.000 0.452 194 E N 1.368 121.468 120.200 -0.167 0.000 2.335 194 E HA -0.283 4.067 4.350 0.001 0.000 0.236 194 E C -1.165 175.449 176.600 0.023 0.000 1.103 194 E CA 1.858 58.238 56.400 -0.034 0.000 1.010 194 E CB -1.793 28.030 29.700 0.205 0.000 0.859 194 E HN 0.510 nan 8.360 nan 0.000 0.473 195 P HA -0.098 nan 4.420 nan 0.000 0.220 195 P C 0.062 177.348 177.300 -0.023 0.000 1.152 195 P CA 0.865 63.979 63.100 0.023 0.000 0.812 195 P CB 0.001 31.729 31.700 0.047 0.000 0.792 196 Q N 0.483 120.248 119.800 -0.058 0.000 2.398 196 Q HA 0.177 4.518 4.340 0.001 0.000 0.329 196 Q C 1.023 176.939 176.000 -0.140 0.000 1.079 196 Q CA 1.810 57.538 55.803 -0.124 0.000 1.041 196 Q CB -0.066 28.587 28.738 -0.141 0.000 1.084 196 Q HN 0.336 nan 8.270 nan 0.000 0.386 197 G N 2.753 111.440 108.800 -0.188 0.000 2.528 197 G HA2 -0.132 3.829 3.960 0.001 0.000 0.078 197 G HA3 -0.132 3.829 3.960 0.001 0.000 0.078 197 G C -0.365 174.413 174.900 -0.203 0.000 1.008 197 G CA -0.481 44.523 45.100 -0.160 0.000 1.309 197 G HN 0.480 nan 8.290 nan 0.000 0.564 198 N N 1.699 120.296 118.700 -0.173 0.000 2.714 198 N HA 0.382 5.122 4.740 0.001 0.000 0.298 198 N C -0.142 175.244 175.510 -0.207 0.000 1.298 198 N CA -0.148 52.793 53.050 -0.181 0.000 1.007 198 N CB 0.273 38.685 38.487 -0.126 0.000 1.318 198 N HN 0.293 nan 8.380 nan 0.000 0.516 199 Q N -0.283 119.308 119.800 -0.349 0.000 2.394 199 Q HA 0.249 4.589 4.340 0.001 0.000 0.248 199 Q C -1.348 174.421 176.000 -0.384 0.000 0.992 199 Q CA -1.490 54.049 55.803 -0.439 0.000 0.888 199 Q CB 0.210 28.415 28.738 -0.887 0.000 1.257 199 Q HN 0.162 nan 8.270 nan 0.000 0.462 200 P HA -0.155 nan 4.420 nan 0.000 0.218 200 P C 0.445 177.771 177.300 0.043 0.000 1.149 200 P CA 1.153 64.243 63.100 -0.017 0.000 0.817 200 P CB 0.044 31.808 31.700 0.107 0.000 0.785 201 F N -0.282 119.662 119.950 -0.009 0.000 2.113 201 F HA 0.127 4.655 4.527 0.001 0.000 0.297 201 F C 1.087 176.885 175.800 -0.003 0.000 1.103 201 F CA 0.128 58.127 58.000 -0.002 0.000 1.248 201 F CB -1.715 37.287 39.000 0.003 0.000 0.999 201 F HN -0.199 nan 8.300 nan 0.000 0.475 202 A N 1.537 124.267 122.820 -0.150 0.000 2.763 202 A HA 0.631 4.952 4.320 0.001 0.000 0.325 202 A C -2.877 174.541 177.584 -0.276 0.000 1.209 202 A CA -1.586 50.345 52.037 -0.176 0.000 0.764 202 A CB -0.162 18.759 19.000 -0.132 0.000 1.120 202 A HN -0.020 nan 8.150 nan 0.000 0.463 203 P HA 0.253 nan 4.420 nan 0.000 0.278 203 P C 1.203 178.422 177.300 -0.135 0.000 1.238 203 P CA -0.577 62.432 63.100 -0.151 0.000 0.794 203 P CB 1.077 32.715 31.700 -0.104 0.000 0.955 204 L N 3.426 124.558 121.223 -0.153 0.000 1.976 204 L HA -0.263 4.077 4.340 0.001 0.000 0.223 204 L C 1.815 178.616 176.870 -0.115 0.000 1.081 204 L CA 2.145 56.903 54.840 -0.136 0.000 0.784 204 L CB -0.287 41.676 42.059 -0.160 0.000 0.896 204 L HN 0.292 nan 8.230 nan 0.000 0.438 205 R N -0.438 119.903 120.500 -0.265 0.000 2.319 205 R HA 0.023 4.363 4.340 0.001 0.000 0.204 205 R C 1.003 177.331 176.300 0.046 0.000 0.954 205 R CA 0.676 56.612 56.100 -0.273 0.000 1.066 205 R CB -0.302 29.644 30.300 -0.589 0.000 0.991 205 R HN 0.440 nan 8.270 nan 0.000 0.486 206 D N -1.423 118.984 120.400 0.011 0.000 2.431 206 D HA 0.009 4.650 4.640 0.001 0.000 0.235 206 D C 1.239 177.578 176.300 0.065 0.000 0.980 206 D CA 1.017 55.041 54.000 0.040 0.000 0.912 206 D CB 0.126 40.932 40.800 0.010 0.000 1.056 206 D HN -0.024 nan 8.370 nan 0.000 0.494 207 T N 0.275 114.852 114.554 0.039 0.000 3.043 207 T HA 0.071 4.422 4.350 0.001 0.000 0.263 207 T C 1.860 176.615 174.700 0.092 0.000 1.094 207 T CA 0.384 62.510 62.100 0.043 0.000 1.127 207 T CB 0.214 69.046 68.868 -0.059 0.000 0.905 207 T HN 0.000 nan 8.240 nan 0.000 0.490 208 I N 1.392 122.055 120.570 0.155 0.000 2.480 208 I HA 0.111 4.282 4.170 0.001 0.000 0.251 208 I C 2.613 178.865 176.117 0.226 0.000 1.124 208 I CA 0.450 61.907 61.300 0.261 0.000 1.444 208 I CB -0.342 37.881 38.000 0.373 0.000 1.098 208 I HN 0.149 nan 8.210 nan 0.000 0.428 209 A N 0.177 123.128 122.820 0.217 0.000 1.940 209 A HA -0.156 4.165 4.320 0.001 0.000 0.219 209 A C 2.213 179.797 177.584 -0.000 0.000 1.176 209 A CA 1.616 53.709 52.037 0.094 0.000 0.631 209 A CB -0.767 18.331 19.000 0.164 0.000 0.814 209 A HN 0.415 nan 8.150 nan 0.000 0.446 210 L N -0.317 120.925 121.223 0.032 0.000 2.416 210 L HA -0.023 4.317 4.340 0.001 0.000 0.216 210 L C 2.491 179.366 176.870 0.009 0.000 1.098 210 L CA 0.752 55.598 54.840 0.010 0.000 0.840 210 L CB -0.066 42.026 42.059 0.054 0.000 0.981 210 L HN 0.432 nan 8.230 nan 0.000 0.462 211 V N -2.408 117.529 119.914 0.038 0.000 2.407 211 V HA -0.067 4.053 4.120 0.001 0.000 0.245 211 V C 2.580 178.615 176.094 -0.098 0.000 1.041 211 V CA 1.326 63.664 62.300 0.063 0.000 1.040 211 V CB -0.896 30.857 31.823 -0.117 0.000 0.671 211 V HN 0.225 nan 8.190 nan 0.000 0.455 212 A N 1.936 124.563 122.820 -0.321 0.000 1.863 212 A HA -0.408 3.913 4.320 0.001 0.000 0.218 212 A C 2.211 179.431 177.584 -0.607 0.000 1.233 212 A CA 2.826 54.244 52.037 -1.031 0.000 0.655 212 A CB -1.429 17.066 19.000 -0.843 0.000 0.839 212 A HN 0.818 nan 8.150 nan 0.000 0.454 213 D N 0.099 120.296 120.400 -0.339 0.000 2.351 213 D HA 0.041 4.682 4.640 0.001 0.000 0.216 213 D C 1.525 177.707 176.300 -0.197 0.000 0.968 213 D CA 1.248 55.103 54.000 -0.241 0.000 0.899 213 D CB -0.186 40.512 40.800 -0.169 0.000 0.907 213 D HN 0.384 nan 8.370 nan 0.000 0.514 214 A N 0.230 122.978 122.820 -0.121 0.000 2.251 214 A HA 0.179 4.499 4.320 0.001 0.000 0.209 214 A C 2.156 179.690 177.584 -0.083 0.000 1.187 214 A CA 0.357 52.376 52.037 -0.030 0.000 0.823 214 A CB -0.438 18.713 19.000 0.251 0.000 0.846 214 A HN 0.404 nan 8.150 nan 0.000 0.486 215 M N -1.350 118.016 119.600 -0.391 0.000 2.615 215 M HA 0.120 4.601 4.480 0.001 0.000 0.262 215 M C 1.835 177.873 176.300 -0.437 0.000 1.198 215 M CA 0.448 55.272 55.300 -0.793 0.000 1.165 215 M CB 0.018 32.032 32.600 -0.977 0.000 1.310 215 M HN 0.302 nan 8.290 nan 0.000 0.494 216 R N 0.760 121.065 120.500 -0.325 0.000 2.088 216 R HA -0.119 4.222 4.340 0.001 0.000 0.232 216 R C 2.293 178.479 176.300 -0.191 0.000 1.136 216 R CA 2.109 58.077 56.100 -0.221 0.000 0.926 216 R CB -0.821 29.361 30.300 -0.197 0.000 0.837 216 R HN 0.435 nan 8.270 nan 0.000 0.429 217 R N 0.270 120.660 120.500 -0.184 0.000 2.159 217 R HA -0.234 4.107 4.340 0.001 0.000 0.249 217 R C 2.366 178.634 176.300 -0.054 0.000 1.136 217 R CA 2.025 58.031 56.100 -0.156 0.000 0.951 217 R CB -0.520 29.601 30.300 -0.300 0.000 0.876 217 R HN 0.337 nan 8.270 nan 0.000 0.440 218 A N 1.118 123.945 122.820 0.011 0.000 1.898 218 A HA -0.183 4.138 4.320 0.001 0.000 0.214 218 A C 2.064 179.626 177.584 -0.038 0.000 1.183 218 A CA 1.286 53.388 52.037 0.107 0.000 0.622 218 A CB -0.417 18.671 19.000 0.147 0.000 0.824 218 A HN 0.546 nan 8.150 nan 0.000 0.444 219 Q N -1.342 118.361 119.800 -0.162 0.000 2.369 219 Q HA -0.117 4.223 4.340 0.001 0.000 0.206 219 Q C 0.976 176.911 176.000 -0.107 0.000 0.963 219 Q CA 1.526 57.222 55.803 -0.179 0.000 0.894 219 Q CB -0.118 28.454 28.738 -0.276 0.000 0.965 219 Q HN 0.449 nan 8.270 nan 0.000 0.475 220 D N 0.334 120.684 120.400 -0.083 0.000 2.323 220 D HA -0.047 4.593 4.640 0.001 0.000 0.218 220 D C 1.563 177.845 176.300 -0.031 0.000 0.973 220 D CA 0.500 54.466 54.000 -0.057 0.000 0.890 220 D CB 0.421 41.181 40.800 -0.067 0.000 1.011 220 D HN 0.175 nan 8.370 nan 0.000 0.499 221 E N -0.091 120.101 120.200 -0.013 0.000 2.016 221 E HA -0.044 4.307 4.350 0.001 0.000 0.190 221 E C 2.001 178.603 176.600 0.004 0.000 0.985 221 E CA 1.343 57.751 56.400 0.014 0.000 0.802 221 E CB -0.590 29.148 29.700 0.064 0.000 0.762 221 E HN 0.337 nan 8.360 nan 0.000 0.448 222 T N -1.358 113.194 114.554 -0.002 0.000 2.837 222 T HA 0.333 4.684 4.350 0.001 0.000 0.242 222 T C 1.095 175.785 174.700 -0.016 0.000 1.044 222 T CA 0.592 62.687 62.100 -0.009 0.000 1.202 222 T CB -0.391 68.471 68.868 -0.011 0.000 0.905 222 T HN 0.344 nan 8.240 nan 0.000 0.413 223 G N 1.590 110.372 108.800 -0.029 0.000 3.043 223 G HA2 0.112 4.073 3.960 0.001 0.000 0.239 223 G HA3 0.112 4.073 3.960 0.001 0.000 0.239 223 G C -0.683 174.202 174.900 -0.025 0.000 1.042 223 G CA -0.523 44.560 45.100 -0.029 0.000 1.189 223 G HN 0.585 nan 8.290 nan 0.000 0.578 224 E N -1.019 119.155 120.200 -0.044 0.000 2.401 224 E HA 0.648 4.999 4.350 0.001 0.000 0.280 224 E C 0.006 176.545 176.600 -0.102 0.000 1.039 224 E CA -0.455 55.920 56.400 -0.043 0.000 0.814 224 E CB 1.592 31.280 29.700 -0.019 0.000 1.275 224 E HN 1.115 nan 8.360 nan 0.000 0.448 225 A N 2.383 125.133 122.820 -0.118 0.000 3.245 225 A HA 0.296 4.617 4.320 0.001 0.000 0.282 225 A C -0.637 176.716 177.584 -0.385 0.000 1.417 225 A CA -0.493 51.384 52.037 -0.267 0.000 1.149 225 A CB -0.386 18.521 19.000 -0.155 0.000 1.155 225 A HN 0.259 nan 8.150 nan 0.000 0.602 226 K N 0.402 120.571 120.400 -0.384 0.000 2.513 226 K HA 0.038 4.358 4.320 0.001 0.000 0.275 226 K C -0.345 176.082 176.600 -0.288 0.000 1.025 226 K CA 0.822 56.883 56.287 -0.375 0.000 1.125 226 K CB -0.283 31.686 32.500 -0.885 0.000 0.843 226 K HN 0.570 nan 8.250 nan 0.000 0.486 227 L N 3.858 125.109 121.223 0.047 0.000 2.307 227 L HA 0.479 4.820 4.340 0.001 0.000 0.282 227 L C -0.215 176.835 176.870 0.300 0.000 1.051 227 L CA -0.681 54.257 54.840 0.163 0.000 0.804 227 L CB 0.630 42.788 42.059 0.165 0.000 1.197 227 L HN 0.430 nan 8.230 nan 0.000 0.431 228 F N 1.218 121.186 119.950 0.030 0.000 2.561 228 F HA 0.556 5.083 4.527 0.001 0.000 0.321 228 F C -0.052 175.578 175.800 -0.283 0.000 1.065 228 F CA -0.534 57.432 58.000 -0.058 0.000 0.934 228 F CB 2.196 41.312 39.000 0.194 0.000 1.215 228 F HN 0.245 nan 8.300 nan 0.000 0.471 229 S N 3.415 118.527 115.700 -0.980 0.000 2.539 229 S HA 0.761 5.232 4.470 0.001 0.000 0.235 229 S C -1.147 172.889 174.600 -0.939 0.000 1.326 229 S CA -0.386 57.318 58.200 -0.826 0.000 1.183 229 S CB -0.021 62.681 63.200 -0.831 0.000 1.073 229 S HN 0.887 nan 8.310 nan 0.000 0.480 230 A N 4.447 127.006 122.820 -0.434 0.000 2.260 230 A HA 0.475 4.796 4.320 0.001 0.000 0.314 230 A C 0.228 177.743 177.584 -0.115 0.000 1.257 230 A CA -0.708 51.259 52.037 -0.118 0.000 0.871 230 A CB 0.308 19.376 19.000 0.114 0.000 1.166 230 A HN 0.829 nan 8.150 nan 0.000 0.522 231 N N 2.945 121.587 118.700 -0.097 0.000 2.406 231 N HA 0.108 4.849 4.740 0.001 0.000 0.265 231 N C -0.024 175.466 175.510 -0.033 0.000 1.203 231 N CA -0.031 52.981 53.050 -0.064 0.000 0.945 231 N CB 0.425 38.868 38.487 -0.074 0.000 1.165 231 N HN 0.651 nan 8.380 nan 0.000 0.485 232 I N 1.671 122.230 120.570 -0.019 0.000 3.399 232 I HA 0.246 4.416 4.170 0.001 0.000 0.345 232 I C -0.586 175.541 176.117 0.017 0.000 1.512 232 I CA -0.340 60.961 61.300 0.002 0.000 1.047 232 I CB -0.593 37.402 38.000 -0.008 0.000 1.552 232 I HN 0.047 nan 8.210 nan 0.000 0.494 233 T N 2.894 117.451 114.554 0.004 0.000 2.749 233 T HA 0.812 5.163 4.350 0.001 0.000 0.295 233 T C 0.286 174.988 174.700 0.003 0.000 0.936 233 T CA -0.063 62.039 62.100 0.004 0.000 1.060 233 T CB 1.294 70.168 68.868 0.010 0.000 0.904 233 T HN 0.685 nan 8.240 nan 0.000 0.500 234 A N 2.719 125.540 122.820 0.002 0.000 2.567 234 A HA 0.697 5.018 4.320 0.001 0.000 0.289 234 A C 0.722 178.305 177.584 -0.001 0.000 1.177 234 A CA -0.698 51.341 52.037 0.003 0.000 0.694 234 A CB 0.978 19.985 19.000 0.011 0.000 1.292 234 A HN 0.666 nan 8.150 nan 0.000 0.425 235 D N -0.075 120.328 120.400 0.005 0.000 2.146 235 D HA -0.033 4.607 4.640 0.001 0.000 0.209 235 D C 0.202 176.502 176.300 -0.001 0.000 0.973 235 D CA 1.104 55.106 54.000 0.004 0.000 0.860 235 D CB -0.488 40.319 40.800 0.013 0.000 1.015 235 D HN 0.420 nan 8.370 nan 0.000 0.465 236 D N 1.093 121.502 120.400 0.016 0.000 2.302 236 D HA 0.098 4.739 4.640 0.001 0.000 0.248 236 D C -1.572 174.690 176.300 -0.063 0.000 1.094 236 D CA -2.104 51.911 54.000 0.025 0.000 0.897 236 D CB 1.865 42.729 40.800 0.106 0.000 1.200 236 D HN -0.146 nan 8.370 nan 0.000 0.429 237 P HA -0.139 nan 4.420 nan 0.000 0.216 237 P C 1.332 178.341 177.300 -0.484 0.000 1.150 237 P CA 1.138 63.973 63.100 -0.442 0.000 0.837 237 P CB -0.105 31.201 31.700 -0.657 0.000 0.786 238 F N 0.442 120.391 119.950 -0.003 0.000 2.269 238 F HA -0.084 4.444 4.527 0.001 0.000 0.301 238 F C 2.291 178.105 175.800 0.024 0.000 1.082 238 F CA 1.186 59.188 58.000 0.004 0.000 1.360 238 F CB -1.068 37.932 39.000 -0.001 0.000 1.041 238 F HN 0.015 nan 8.300 nan 0.000 0.512 239 E N 0.466 120.738 120.200 0.120 0.000 2.472 239 E HA 0.006 4.357 4.350 0.001 0.000 0.196 239 E C 1.713 178.356 176.600 0.071 0.000 1.033 239 E CA 0.264 56.719 56.400 0.092 0.000 0.886 239 E CB -0.322 29.418 29.700 0.066 0.000 0.944 239 E HN 0.458 nan 8.360 nan 0.000 0.492 240 I N -0.751 119.850 120.570 0.053 0.000 2.867 240 I HA 0.107 4.278 4.170 0.001 0.000 0.265 240 I C 1.804 178.057 176.117 0.226 0.000 1.162 240 I CA 0.599 61.952 61.300 0.087 0.000 1.471 240 I CB -0.100 37.925 38.000 0.042 0.000 1.123 240 I HN 0.185 nan 8.210 nan 0.000 0.440 241 I N 0.555 121.232 120.570 0.178 0.000 2.333 241 I HA 0.189 4.359 4.170 0.001 0.000 0.246 241 I C 2.406 178.761 176.117 0.395 0.000 1.106 241 I CA 1.515 62.978 61.300 0.272 0.000 1.411 241 I CB -0.997 36.943 38.000 -0.100 0.000 1.082 241 I HN 0.079 nan 8.210 nan 0.000 0.420 242 A N 1.695 124.653 122.820 0.231 0.000 1.873 242 A HA -0.104 4.217 4.320 0.001 0.000 0.215 242 A C 2.373 180.058 177.584 0.169 0.000 1.186 242 A CA 1.471 53.621 52.037 0.190 0.000 0.616 242 A CB -0.576 18.509 19.000 0.141 0.000 0.823 242 A HN 0.444 nan 8.150 nan 0.000 0.442 243 R N -0.304 120.273 120.500 0.128 0.000 2.082 243 R HA -0.123 4.218 4.340 0.001 0.000 0.234 243 R C 2.328 178.693 176.300 0.109 0.000 1.136 243 R CA 1.621 57.770 56.100 0.081 0.000 0.935 243 R CB -1.882 28.442 30.300 0.039 0.000 0.842 243 R HN 0.471 nan 8.270 nan 0.000 0.430 244 G N 1.052 109.898 108.800 0.078 0.000 2.448 244 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 244 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 244 G C 1.423 176.221 174.900 -0.170 0.000 1.127 244 G CA 0.460 45.468 45.100 -0.153 0.000 0.766 244 G HN 0.392 nan 8.290 nan 0.000 0.552 245 E N -0.805 119.501 120.200 0.178 0.000 2.033 245 E HA -0.084 4.267 4.350 0.001 0.000 0.189 245 E C 2.019 178.722 176.600 0.171 0.000 0.979 245 E CA 0.626 57.169 56.400 0.238 0.000 0.802 245 E CB -0.214 29.667 29.700 0.301 0.000 0.763 245 E HN 0.520 nan 8.360 nan 0.000 0.449 246 Y N 1.623 121.963 120.300 0.067 0.000 2.097 246 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 246 Y C 2.103 178.036 175.900 0.056 0.000 1.152 246 Y CA 1.434 59.568 58.100 0.057 0.000 1.136 246 Y CB -0.661 37.830 38.460 0.052 0.000 0.975 246 Y HN -0.192 nan 8.280 nan 0.000 0.498 247 V N 0.526 120.568 119.914 0.214 0.000 2.236 247 V HA -0.355 3.766 4.120 0.001 0.000 0.255 247 V C 2.129 178.212 176.094 -0.020 0.000 1.068 247 V CA 2.185 64.538 62.300 0.089 0.000 1.044 247 V CB -0.944 30.872 31.823 -0.012 0.000 0.653 247 V HN 0.396 nan 8.190 nan 0.000 0.448 248 L N -0.627 120.551 121.223 -0.075 0.000 2.627 248 L HA 0.118 4.459 4.340 0.001 0.000 0.232 248 L C 1.992 178.854 176.870 -0.015 0.000 1.150 248 L CA 0.998 55.806 54.840 -0.053 0.000 0.917 248 L CB -1.008 40.982 42.059 -0.115 0.000 1.104 248 L HN 0.423 nan 8.230 nan 0.000 0.445 249 E N -1.262 118.900 120.200 -0.062 0.000 2.132 249 E HA -0.014 4.337 4.350 0.001 0.000 0.193 249 E C 1.553 178.066 176.600 -0.144 0.000 0.951 249 E CA 0.655 57.002 56.400 -0.089 0.000 0.843 249 E CB 0.403 30.054 29.700 -0.082 0.000 0.807 249 E HN 0.240 nan 8.360 nan 0.000 0.467 250 T N 0.302 114.691 114.554 -0.275 0.000 2.951 250 T HA -0.032 4.319 4.350 0.001 0.000 0.268 250 T C 1.175 175.786 174.700 -0.148 0.000 1.073 250 T CA 0.709 62.611 62.100 -0.331 0.000 1.134 250 T CB -0.066 68.429 68.868 -0.621 0.000 0.884 250 T HN 0.018 nan 8.240 nan 0.000 0.479 251 F N 0.795 120.629 119.950 -0.194 0.000 2.530 251 F HA 0.266 4.793 4.527 0.001 0.000 0.292 251 F C 2.062 177.794 175.800 -0.114 0.000 1.109 251 F CA 0.244 58.168 58.000 -0.127 0.000 1.450 251 F CB -0.644 38.301 39.000 -0.092 0.000 1.114 251 F HN 0.255 nan 8.300 nan 0.000 0.560 252 G N 0.508 109.322 108.800 0.023 0.000 2.667 252 G HA2 -0.513 3.448 3.960 0.001 0.000 0.379 252 G HA3 -0.513 3.448 3.960 0.001 0.000 0.379 252 G C 1.359 176.249 174.900 -0.017 0.000 1.236 252 G CA 1.038 46.128 45.100 -0.017 0.000 0.946 252 G HN 0.337 nan 8.290 nan 0.000 0.573 253 E N -0.288 119.888 120.200 -0.040 0.000 2.335 253 E HA -0.309 4.042 4.350 0.001 0.000 0.236 253 E C 1.270 177.830 176.600 -0.068 0.000 1.103 253 E CA 2.083 58.453 56.400 -0.049 0.000 1.010 253 E CB -0.223 29.444 29.700 -0.055 0.000 0.859 253 E HN 0.461 nan 8.360 nan 0.000 0.473 254 N N -1.008 117.667 118.700 -0.042 0.000 2.453 254 N HA 0.174 4.914 4.740 0.001 0.000 0.270 254 N C -0.431 175.055 175.510 -0.041 0.000 1.195 254 N CA 0.472 53.462 53.050 -0.101 0.000 0.902 254 N CB 1.206 39.785 38.487 0.152 0.000 1.186 254 N HN 0.114 nan 8.380 nan 0.000 0.510 255 A N -0.027 122.770 122.820 -0.039 0.000 2.412 255 A HA 0.084 4.405 4.320 0.001 0.000 0.253 255 A C 1.579 179.104 177.584 -0.099 0.000 1.334 255 A CA 0.035 52.044 52.037 -0.045 0.000 0.929 255 A CB -0.302 18.681 19.000 -0.028 0.000 0.983 255 A HN 0.257 nan 8.150 nan 0.000 0.508 256 S N -1.544 114.046 115.700 -0.183 0.000 2.502 256 S HA 0.018 4.489 4.470 0.001 0.000 0.215 256 S C 1.307 175.916 174.600 0.015 0.000 1.009 256 S CA 0.228 58.362 58.200 -0.110 0.000 0.908 256 S CB -0.452 62.662 63.200 -0.143 0.000 0.801 256 S HN 0.614 nan 8.310 nan 0.000 0.505 257 H N 1.862 120.948 119.070 0.026 0.000 2.551 257 H HA 0.364 4.920 4.556 0.001 0.000 0.266 257 H C 0.728 176.052 175.328 -0.006 0.000 0.964 257 H CA 0.160 56.228 56.048 0.035 0.000 1.180 257 H CB -0.221 29.588 29.762 0.079 0.000 1.408 257 H HN 0.431 nan 8.280 nan 0.000 0.563 258 V N -0.526 119.385 119.914 -0.006 0.000 2.472 258 V HA 0.830 4.951 4.120 0.001 0.000 0.290 258 V C 0.454 176.503 176.094 -0.075 0.000 1.037 258 V CA -1.164 61.035 62.300 -0.169 0.000 0.908 258 V CB 1.508 33.004 31.823 -0.545 0.000 0.985 258 V HN 0.252 nan 8.190 nan 0.000 0.454 259 A N 4.154 126.931 122.820 -0.071 0.000 2.350 259 A HA 0.929 5.250 4.320 0.001 0.000 0.318 259 A C -0.897 176.668 177.584 -0.032 0.000 1.132 259 A CA -0.834 51.229 52.037 0.042 0.000 0.811 259 A CB 1.778 20.863 19.000 0.141 0.000 1.313 259 A HN 0.984 nan 8.150 nan 0.000 0.454 260 L N 1.533 122.799 121.223 0.073 0.000 2.417 260 L HA 0.393 4.733 4.340 0.001 0.000 0.259 260 L C -0.907 176.023 176.870 0.100 0.000 1.023 260 L CA -0.178 54.669 54.840 0.012 0.000 0.901 260 L CB 0.883 42.915 42.059 -0.045 0.000 1.227 260 L HN 0.732 nan 8.230 nan 0.000 0.454 261 L N 5.024 126.282 121.223 0.059 0.000 2.418 261 L HA 0.440 4.781 4.340 0.001 0.000 0.274 261 L C -0.450 176.469 176.870 0.081 0.000 1.135 261 L CA -0.116 54.792 54.840 0.114 0.000 0.870 261 L CB 0.730 42.748 42.059 -0.068 0.000 1.154 261 L HN 0.420 nan 8.230 nan 0.000 0.462 262 V N 0.710 120.694 119.914 0.116 0.000 2.888 262 V HA 0.448 4.569 4.120 0.001 0.000 0.309 262 V C -1.015 175.128 176.094 0.083 0.000 1.114 262 V CA -0.927 61.399 62.300 0.044 0.000 0.940 262 V CB 2.011 33.818 31.823 -0.026 0.000 1.021 262 V HN 0.539 nan 8.190 nan 0.000 0.426 263 D N 3.916 124.369 120.400 0.088 0.000 2.741 263 D HA 0.319 4.959 4.640 0.001 0.000 0.233 263 D C 1.338 177.660 176.300 0.036 0.000 1.160 263 D CA 0.580 54.669 54.000 0.149 0.000 1.003 263 D CB 1.035 41.941 40.800 0.176 0.000 1.064 263 D HN 0.940 nan 8.370 nan 0.000 0.503 264 G N -0.174 108.558 108.800 -0.112 0.000 2.650 264 G HA2 -0.256 3.705 3.960 0.001 0.000 0.214 264 G HA3 -0.256 3.705 3.960 0.001 0.000 0.214 264 G C 1.159 176.005 174.900 -0.090 0.000 1.136 264 G CA 0.207 45.076 45.100 -0.385 0.000 0.789 264 G HN 0.387 nan 8.290 nan 0.000 0.536 265 Y N 1.246 121.630 120.300 0.141 0.000 2.389 265 Y HA 0.085 4.636 4.550 0.001 0.000 0.292 265 Y C 2.438 178.431 175.900 0.155 0.000 1.117 265 Y CA 1.128 59.390 58.100 0.271 0.000 1.195 265 Y CB 0.179 38.889 38.460 0.417 0.000 1.076 265 Y HN 0.080 nan 8.280 nan 0.000 0.548 266 V N -1.586 118.491 119.914 0.272 0.000 3.541 266 V HA 0.302 4.422 4.120 0.001 0.000 0.267 266 V C 1.626 177.756 176.094 0.060 0.000 1.213 266 V CA 1.083 63.489 62.300 0.176 0.000 1.149 266 V CB -0.715 31.235 31.823 0.211 0.000 0.822 266 V HN 0.355 nan 8.190 nan 0.000 0.462 267 A N 0.415 123.244 122.820 0.015 0.000 1.963 267 A HA 0.732 5.053 4.320 0.001 0.000 0.211 267 A C 1.491 179.042 177.584 -0.055 0.000 1.380 267 A CA 1.068 53.091 52.037 -0.024 0.000 0.690 267 A CB -0.218 18.757 19.000 -0.041 0.000 1.060 267 A HN 1.763 nan 8.150 nan 0.000 0.498 268 G N -3.054 105.694 108.800 -0.088 0.000 2.371 268 G HA2 0.410 4.371 3.960 0.001 0.000 0.663 268 G HA3 0.410 4.371 3.960 0.001 0.000 0.663 268 G C 0.690 175.525 174.900 -0.108 0.000 1.311 268 G CA 0.170 45.211 45.100 -0.098 0.000 0.985 268 G HN 1.311 nan 8.290 nan 0.000 0.566 269 A N -0.478 122.292 122.820 -0.083 0.000 1.933 269 A HA 0.352 4.672 4.320 0.001 0.000 0.218 269 A C 2.809 180.354 177.584 -0.065 0.000 1.175 269 A CA 3.159 55.156 52.037 -0.068 0.000 0.628 269 A CB -0.804 18.175 19.000 -0.035 0.000 0.814 269 A HN 2.400 nan 8.150 nan 0.000 0.444 270 A N -0.737 122.045 122.820 -0.062 0.000 2.119 270 A HA 0.360 4.681 4.320 0.001 0.000 0.217 270 A C 2.211 179.743 177.584 -0.086 0.000 1.153 270 A CA 1.476 53.471 52.037 -0.070 0.000 0.692 270 A CB -0.541 18.420 19.000 -0.065 0.000 0.799 270 A HN 0.906 nan 8.150 nan 0.000 0.458 271 A N -0.744 122.024 122.820 -0.086 0.000 2.030 271 A HA 0.242 4.563 4.320 0.001 0.000 0.215 271 A C 1.869 179.402 177.584 -0.085 0.000 1.164 271 A CA 0.948 52.935 52.037 -0.083 0.000 0.697 271 A CB -0.262 18.692 19.000 -0.078 0.000 0.827 271 A HN 0.420 nan 8.150 nan 0.000 0.457 272 I N -0.193 120.313 120.570 -0.107 0.000 3.228 272 I HA -0.081 4.089 4.170 0.001 0.000 0.279 272 I C 1.764 177.840 176.117 -0.070 0.000 1.221 272 I CA 1.334 62.565 61.300 -0.115 0.000 1.458 272 I CB 0.358 38.244 38.000 -0.190 0.000 1.105 272 I HN 0.323 nan 8.210 nan 0.000 0.445 273 T N -2.188 112.327 114.554 -0.066 0.000 3.065 273 T HA 0.028 4.379 4.350 0.001 0.000 0.252 273 T C 1.670 176.326 174.700 -0.073 0.000 1.099 273 T CA 0.680 62.748 62.100 -0.054 0.000 1.063 273 T CB -0.125 68.720 68.868 -0.039 0.000 0.948 273 T HN 0.155 nan 8.240 nan 0.000 0.506 274 T N 2.100 116.602 114.554 -0.087 0.000 2.809 274 T HA 0.164 4.515 4.350 0.001 0.000 0.260 274 T C 2.519 177.162 174.700 -0.095 0.000 1.039 274 T CA 0.974 62.996 62.100 -0.129 0.000 1.141 274 T CB -0.476 68.299 68.868 -0.155 0.000 0.869 274 T HN 0.477 nan 8.240 nan 0.000 0.437 275 A N 1.884 124.726 122.820 0.036 0.000 1.855 275 A HA -0.039 4.282 4.320 0.001 0.000 0.215 275 A C 2.351 180.025 177.584 0.150 0.000 1.191 275 A CA 1.259 53.430 52.037 0.223 0.000 0.613 275 A CB -0.535 18.556 19.000 0.152 0.000 0.829 275 A HN 0.274 nan 8.150 nan 0.000 0.442 276 R N -0.897 119.630 120.500 0.044 0.000 2.066 276 R HA -0.097 4.243 4.340 0.001 0.000 0.232 276 R C 2.235 178.534 176.300 -0.001 0.000 1.131 276 R CA 1.241 57.354 56.100 0.022 0.000 0.955 276 R CB -0.188 30.105 30.300 -0.011 0.000 0.851 276 R HN 0.320 nan 8.270 nan 0.000 0.432 277 R N 0.194 120.667 120.500 -0.044 0.000 2.093 277 R HA 0.027 4.367 4.340 0.001 0.000 0.224 277 R C 1.953 178.180 176.300 -0.123 0.000 1.101 277 R CA 0.834 56.892 56.100 -0.070 0.000 0.979 277 R CB -0.277 29.977 30.300 -0.077 0.000 0.877 277 R HN 0.178 nan 8.270 nan 0.000 0.441 278 R N -0.131 120.227 120.500 -0.236 0.000 2.297 278 R HA 0.126 4.467 4.340 0.001 0.000 0.197 278 R C -0.019 175.943 176.300 -0.563 0.000 0.943 278 R CA 0.237 56.055 56.100 -0.469 0.000 1.038 278 R CB 0.020 30.035 30.300 -0.476 0.000 0.957 278 R HN 0.102 nan 8.270 nan 0.000 0.484 279 F N 0.443 120.385 119.950 -0.013 0.000 2.706 279 F HA 0.316 4.844 4.527 0.001 0.000 0.365 279 F C -1.789 174.009 175.800 -0.003 0.000 1.469 279 F CA -2.616 55.381 58.000 -0.004 0.000 1.110 279 F CB 1.353 40.352 39.000 -0.002 0.000 1.893 279 F HN -0.203 nan 8.300 nan 0.000 0.573 280 P HA -0.145 nan 4.420 nan 0.000 0.214 280 P C 0.226 177.571 177.300 0.076 0.000 1.163 280 P CA 1.568 64.711 63.100 0.071 0.000 0.883 280 P CB 0.431 32.154 31.700 0.037 0.000 0.788 281 D N -0.026 120.424 120.400 0.082 0.000 2.930 281 D HA 0.221 4.861 4.640 0.001 0.000 0.304 281 D C -0.358 175.990 176.300 0.081 0.000 1.298 281 D CA -0.203 53.840 54.000 0.071 0.000 0.949 281 D CB -0.535 40.297 40.800 0.054 0.000 1.013 281 D HN -0.047 nan 8.370 nan 0.000 0.510 282 N N 0.681 119.440 118.700 0.099 0.000 2.229 282 N HA 0.251 4.991 4.740 0.001 0.000 0.298 282 N C -1.406 174.200 175.510 0.161 0.000 1.114 282 N CA -0.627 52.483 53.050 0.099 0.000 0.776 282 N CB 1.699 40.212 38.487 0.043 0.000 1.501 282 N HN 0.067 nan 8.380 nan 0.000 0.474 283 F N 3.238 123.202 119.950 0.023 0.000 2.438 283 F HA 0.382 4.910 4.527 0.001 0.000 0.356 283 F C -0.388 175.456 175.800 0.073 0.000 1.099 283 F CA -0.711 57.317 58.000 0.046 0.000 1.185 283 F CB 0.256 39.292 39.000 0.061 0.000 1.115 283 F HN 0.293 nan 8.300 nan 0.000 0.526 284 L N 4.802 125.971 121.223 -0.091 0.000 2.324 284 L HA 0.469 4.810 4.340 0.001 0.000 0.274 284 L C -1.105 175.565 176.870 -0.334 0.000 1.012 284 L CA -0.850 53.938 54.840 -0.085 0.000 0.859 284 L CB 0.782 42.827 42.059 -0.024 0.000 1.224 284 L HN 0.636 nan 8.230 nan 0.000 0.429 285 H N 3.071 121.973 119.070 -0.280 0.000 3.017 285 H HA 0.244 4.801 4.556 0.001 0.000 0.276 285 H C -1.331 174.063 175.328 0.110 0.000 1.062 285 H CA 0.588 56.631 56.048 -0.008 0.000 1.486 285 H CB 0.285 30.202 29.762 0.259 0.000 1.507 285 H HN 0.644 nan 8.280 nan 0.000 0.508 286 Y N 5.304 125.476 120.300 -0.213 0.000 2.360 286 Y HA 0.256 4.807 4.550 0.001 0.000 0.337 286 Y C -0.970 174.966 175.900 0.060 0.000 1.039 286 Y CA -1.096 56.988 58.100 -0.028 0.000 1.109 286 Y CB 0.747 39.167 38.460 -0.067 0.000 1.201 286 Y HN 0.687 nan 8.280 nan 0.000 0.458 287 H N 7.521 126.845 119.070 0.424 0.000 2.725 287 H HA 0.308 4.865 4.556 0.001 0.000 0.283 287 H C -0.415 175.117 175.328 0.340 0.000 1.110 287 H CA -0.915 55.315 56.048 0.304 0.000 1.289 287 H CB 0.596 30.508 29.762 0.250 0.000 1.400 287 H HN 0.765 nan 8.280 nan 0.000 0.493 288 R N 2.954 123.455 120.500 0.001 0.000 2.458 288 R HA 0.305 4.646 4.340 0.001 0.000 0.303 288 R C -0.619 175.432 176.300 -0.414 0.000 1.013 288 R CA 0.234 56.201 56.100 -0.222 0.000 1.026 288 R CB 0.518 30.266 30.300 -0.921 0.000 0.948 288 R HN 0.450 nan 8.270 nan 0.000 0.417 289 A N 3.333 126.079 122.820 -0.123 0.000 3.324 289 A HA 0.459 4.780 4.320 0.001 0.000 0.196 289 A C 1.147 178.743 177.584 0.021 0.000 1.506 289 A CA -0.005 51.999 52.037 -0.056 0.000 1.687 289 A CB -0.561 18.511 19.000 0.120 0.000 1.570 289 A HN 0.697 nan 8.150 nan 0.000 0.533 290 G N 0.481 109.347 108.800 0.110 0.000 3.297 290 G HA2 0.090 4.050 3.960 0.001 0.000 0.225 290 G HA3 0.090 4.050 3.960 0.001 0.000 0.225 290 G C 0.757 175.530 174.900 -0.212 0.000 1.171 290 G CA 0.916 46.050 45.100 0.056 0.000 1.652 290 G HN 0.823 nan 8.290 nan 0.000 0.564 291 H N -1.134 117.450 119.070 -0.810 0.000 2.563 291 H HA 0.084 4.641 4.556 0.002 0.000 0.264 291 H C 1.968 176.971 175.328 -0.541 0.000 0.957 291 H CA 0.653 55.967 56.048 -1.224 0.000 1.173 291 H CB -0.505 28.602 29.762 -1.092 0.000 1.420 291 H HN 0.176 nan 8.280 nan 0.000 0.551 292 G N 1.587 109.766 108.800 -1.035 0.000 2.552 292 G HA2 -0.299 3.662 3.960 0.001 0.000 0.216 292 G HA3 -0.299 3.662 3.960 0.001 0.000 0.216 292 G C 1.949 176.572 174.900 -0.460 0.000 1.240 292 G CA 2.095 46.742 45.100 -0.755 0.000 0.796 292 G HN 0.669 nan 8.290 nan 0.000 0.568 293 A N -0.954 121.691 122.820 -0.292 0.000 1.573 293 A HA -0.310 4.011 4.320 0.001 0.000 0.333 293 A C 2.489 179.981 177.584 -0.153 0.000 3.943 293 A CA 3.738 55.679 52.037 -0.160 0.000 0.926 293 A CB -1.280 17.677 19.000 -0.072 0.000 0.750 293 A HN 0.785 nan 8.150 nan 0.000 0.547 294 V N -1.503 118.290 119.914 -0.201 0.000 2.502 294 V HA -0.074 4.046 4.120 0.001 0.000 0.234 294 V C 2.817 178.773 176.094 -0.230 0.000 1.072 294 V CA 2.193 64.363 62.300 -0.218 0.000 1.094 294 V CB -1.002 30.664 31.823 -0.262 0.000 0.761 294 V HN 0.923 nan 8.190 nan 0.000 0.489 295 T N -0.608 113.794 114.554 -0.254 0.000 2.881 295 T HA -0.002 4.349 4.350 0.001 0.000 0.270 295 T C 1.204 175.823 174.700 -0.135 0.000 1.068 295 T CA 1.097 63.117 62.100 -0.134 0.000 1.131 295 T CB -0.769 68.078 68.868 -0.035 0.000 0.871 295 T HN 0.591 nan 8.240 nan 0.000 0.479 296 S N 3.351 118.909 115.700 -0.236 0.000 2.566 296 S HA 0.323 4.794 4.470 0.001 0.000 0.280 296 S C -0.458 174.084 174.600 -0.096 0.000 1.343 296 S CA -0.812 57.279 58.200 -0.181 0.000 1.036 296 S CB -0.046 63.019 63.200 -0.226 0.000 0.866 296 S HN 0.320 nan 8.310 nan 0.000 0.526 297 P HA 0.066 nan 4.420 nan 0.000 0.245 297 P C 0.031 177.307 177.300 -0.040 0.000 1.206 297 P CA 0.736 63.820 63.100 -0.027 0.000 0.781 297 P CB 0.433 32.121 31.700 -0.020 0.000 0.994 298 Q N 0.110 119.875 119.800 -0.059 0.000 2.333 298 Q HA 0.321 4.661 4.340 0.001 0.000 0.365 298 Q C -0.960 174.996 176.000 -0.074 0.000 0.882 298 Q CA -0.424 55.339 55.803 -0.067 0.000 1.124 298 Q CB -0.201 28.504 28.738 -0.055 0.000 1.345 298 Q HN -0.121 nan 8.270 nan 0.000 0.409 299 S N -0.207 115.445 115.700 -0.080 0.000 2.519 299 S HA 0.525 4.996 4.470 0.001 0.000 0.309 299 S C -0.076 174.470 174.600 -0.090 0.000 1.100 299 S CA -0.449 57.705 58.200 -0.078 0.000 1.059 299 S CB 0.707 63.858 63.200 -0.082 0.000 1.008 299 S HN 0.303 nan 8.310 nan 0.000 0.478 300 K N 2.878 123.214 120.400 -0.108 0.000 2.514 300 K HA 0.331 4.651 4.320 0.001 0.000 0.207 300 K C 1.010 177.600 176.600 -0.016 0.000 1.035 300 K CA -0.016 56.173 56.287 -0.163 0.000 1.113 300 K CB 0.388 32.553 32.500 -0.558 0.000 0.846 300 K HN 0.411 nan 8.250 nan 0.000 0.491 301 R N -0.647 119.861 120.500 0.014 0.000 2.535 301 R HA 0.151 4.492 4.340 0.001 0.000 0.323 301 R C 1.012 177.320 176.300 0.014 0.000 0.979 301 R CA -0.172 55.966 56.100 0.063 0.000 1.120 301 R CB 0.862 31.210 30.300 0.081 0.000 1.306 301 R HN 0.241 nan 8.270 nan 0.000 0.540 302 G N 0.365 109.135 108.800 -0.050 0.000 2.311 302 G HA2 -0.109 3.852 3.960 0.001 0.000 0.274 302 G HA3 -0.109 3.852 3.960 0.001 0.000 0.274 302 G C -0.543 174.326 174.900 -0.052 0.000 1.511 302 G CA 0.168 45.176 45.100 -0.153 0.000 1.041 302 G HN 0.295 nan 8.290 nan 0.000 0.527 303 Y N -2.991 117.381 120.300 0.121 0.000 2.396 303 Y HA 0.635 5.186 4.550 0.002 0.000 0.332 303 Y C -0.076 175.913 175.900 0.149 0.000 1.034 303 Y CA -1.275 56.912 58.100 0.146 0.000 1.057 303 Y CB 0.833 39.399 38.460 0.177 0.000 1.220 303 Y HN 0.457 nan 8.280 nan 0.000 0.440 304 T N 1.588 116.314 114.554 0.286 0.000 2.904 304 T HA 0.455 4.805 4.350 0.001 0.000 0.290 304 T C 1.397 176.310 174.700 0.356 0.000 1.018 304 T CA 0.282 62.539 62.100 0.261 0.000 1.075 304 T CB 0.943 69.995 68.868 0.306 0.000 0.986 304 T HN 1.011 nan 8.240 nan 0.000 0.523 305 A N 4.178 127.160 122.820 0.270 0.000 1.940 305 A HA -0.147 4.174 4.320 0.001 0.000 0.221 305 A C 1.951 179.698 177.584 0.272 0.000 1.190 305 A CA 2.472 54.647 52.037 0.230 0.000 0.647 305 A CB -1.265 17.808 19.000 0.122 0.000 0.821 305 A HN 0.949 nan 8.150 nan 0.000 0.457 306 F N 0.900 120.966 119.950 0.194 0.000 2.069 306 F HA -0.183 4.345 4.527 0.001 0.000 0.298 306 F C 2.119 178.083 175.800 0.274 0.000 1.113 306 F CA 2.260 60.376 58.000 0.193 0.000 1.214 306 F CB -0.601 38.503 39.000 0.173 0.000 0.978 306 F HN 0.008 nan 8.300 nan 0.000 0.474 307 V N 1.086 121.132 119.914 0.219 0.000 2.660 307 V HA -0.343 3.778 4.120 0.001 0.000 0.257 307 V C 2.536 178.767 176.094 0.228 0.000 1.088 307 V CA 2.175 64.637 62.300 0.270 0.000 1.106 307 V CB -1.329 30.789 31.823 0.492 0.000 0.686 307 V HN 0.597 nan 8.190 nan 0.000 0.481 308 H N -0.211 118.944 119.070 0.142 0.000 2.326 308 H HA -0.161 4.395 4.556 0.001 0.000 0.301 308 H C 2.217 177.486 175.328 -0.098 0.000 1.081 308 H CA 2.370 58.453 56.048 0.058 0.000 1.334 308 H CB -0.286 29.635 29.762 0.264 0.000 1.385 308 H HN 0.466 nan 8.280 nan 0.000 0.504 309 C N 1.062 120.428 119.300 0.110 0.000 2.468 309 C HA 0.006 4.466 4.460 0.001 0.000 0.277 309 C C 2.739 177.644 174.990 -0.141 0.000 1.400 309 C CA 0.919 59.909 59.018 -0.048 0.000 1.770 309 C CB -0.458 27.240 27.740 -0.071 0.000 1.905 309 C HN 0.535 nan 8.230 nan 0.000 0.519 310 K N 1.454 121.756 120.400 -0.164 0.000 2.076 310 K HA 0.019 4.340 4.320 0.001 0.000 0.204 310 K C 1.899 178.499 176.600 0.001 0.000 1.051 310 K CA 1.447 57.648 56.287 -0.144 0.000 0.949 310 K CB -0.644 31.583 32.500 -0.455 0.000 0.726 310 K HN 0.375 nan 8.250 nan 0.000 0.443 311 M N -0.238 119.397 119.600 0.059 0.000 2.279 311 M HA -0.023 4.458 4.480 0.001 0.000 0.264 311 M C 1.459 177.654 176.300 -0.175 0.000 1.062 311 M CA 1.807 57.088 55.300 -0.032 0.000 1.099 311 M CB 0.001 32.523 32.600 -0.129 0.000 1.394 311 M HN 0.304 nan 8.290 nan 0.000 0.426 312 A N -1.107 121.622 122.820 -0.152 0.000 2.348 312 A HA 0.089 4.410 4.320 0.001 0.000 0.224 312 A C 1.958 179.464 177.584 -0.131 0.000 1.227 312 A CA 0.045 52.012 52.037 -0.116 0.000 0.885 312 A CB -0.297 18.611 19.000 -0.154 0.000 0.933 312 A HN 0.505 nan 8.150 nan 0.000 0.506 313 R N -0.481 119.919 120.500 -0.167 0.000 2.189 313 R HA 0.241 4.581 4.340 0.001 0.000 0.203 313 R C 1.321 177.539 176.300 -0.137 0.000 1.012 313 R CA 0.313 56.274 56.100 -0.231 0.000 1.015 313 R CB -0.091 29.917 30.300 -0.487 0.000 0.938 313 R HN 0.489 nan 8.270 nan 0.000 0.472 314 L N 1.021 122.169 121.223 -0.124 0.000 2.109 314 L HA -0.127 4.213 4.340 0.001 0.000 0.207 314 L C 2.168 178.898 176.870 -0.233 0.000 1.086 314 L CA 1.267 55.949 54.840 -0.263 0.000 0.760 314 L CB -0.145 41.537 42.059 -0.627 0.000 0.910 314 L HN 0.324 nan 8.230 nan 0.000 0.437 315 Q N -0.906 118.798 119.800 -0.160 0.000 2.320 315 Q HA 0.171 4.511 4.340 0.001 0.000 0.201 315 Q C 1.135 177.122 176.000 -0.022 0.000 0.910 315 Q CA 0.677 56.455 55.803 -0.040 0.000 0.946 315 Q CB 0.725 29.442 28.738 -0.035 0.000 1.062 315 Q HN 0.343 nan 8.270 nan 0.000 0.503 316 G N 0.558 109.332 108.800 -0.043 0.000 2.339 316 G HA2 -0.263 3.697 3.960 0.001 0.000 0.209 316 G HA3 -0.263 3.697 3.960 0.001 0.000 0.209 316 G C 0.367 175.216 174.900 -0.084 0.000 1.015 316 G CA -0.332 44.739 45.100 -0.049 0.000 0.635 316 G HN 0.779 nan 8.290 nan 0.000 0.499 317 A N 0.853 123.627 122.820 -0.076 0.000 2.567 317 A HA 0.563 4.884 4.320 0.001 0.000 0.240 317 A C 1.482 178.928 177.584 -0.230 0.000 1.053 317 A CA 1.602 53.567 52.037 -0.120 0.000 0.755 317 A CB 0.292 19.298 19.000 0.010 0.000 0.978 317 A HN 1.060 nan 8.150 nan 0.000 0.507 318 S N 1.459 116.918 115.700 -0.402 0.000 2.456 318 S HA 0.344 4.815 4.470 0.001 0.000 0.224 318 S C 0.963 175.221 174.600 -0.571 0.000 1.035 318 S CA 0.635 58.511 58.200 -0.539 0.000 0.940 318 S CB 0.225 62.900 63.200 -0.876 0.000 0.799 318 S HN 1.315 nan 8.310 nan 0.000 0.508 319 G N 0.461 108.847 108.800 -0.689 0.000 2.690 319 G HA2 0.691 4.652 3.960 0.001 0.000 0.291 319 G HA3 0.691 4.652 3.960 0.001 0.000 0.291 319 G C -1.881 172.854 174.900 -0.275 0.000 1.403 319 G CA -0.244 44.654 45.100 -0.336 0.000 0.864 319 G HN 0.058 nan 8.290 nan 0.000 0.480 320 I N -0.370 120.086 120.570 -0.191 0.000 2.842 320 I HA 0.361 4.532 4.170 0.001 0.000 0.296 320 I C -1.434 174.634 176.117 -0.082 0.000 1.538 320 I CA -1.127 60.068 61.300 -0.176 0.000 0.994 320 I CB 2.044 39.904 38.000 -0.233 0.000 1.372 320 I HN 0.752 nan 8.210 nan 0.000 0.478 321 H N 5.112 124.087 119.070 -0.158 0.000 2.511 321 H HA 0.706 5.262 4.556 0.001 0.000 0.346 321 H C -0.264 174.994 175.328 -0.117 0.000 1.128 321 H CA 1.185 57.168 56.048 -0.109 0.000 1.342 321 H CB 0.898 30.614 29.762 -0.077 0.000 1.470 321 H HN 0.741 nan 8.280 nan 0.000 0.546 322 T N 1.141 115.811 114.554 0.193 0.000 0.541 322 T HA 0.226 4.577 4.350 0.001 0.000 0.774 322 T C 0.021 174.775 174.700 0.090 0.000 0.992 322 T CA 0.903 63.090 62.100 0.144 0.000 4.077 322 T CB -1.168 67.749 68.868 0.082 0.000 2.303 322 T HN 1.420 nan 8.240 nan 0.000 0.398 323 G N -0.644 108.228 108.800 0.120 0.000 2.428 323 G HA2 0.801 4.761 3.960 0.001 0.000 0.304 323 G HA3 0.801 4.761 3.960 0.001 0.000 0.304 323 G C -0.536 174.481 174.900 0.194 0.000 1.303 323 G CA 0.964 46.161 45.100 0.161 0.000 0.825 323 G HN 1.647 nan 8.290 nan 0.000 0.484 336 D N 1.734 122.134 120.400 -0.000 0.000 2.501 336 D HA 0.278 4.919 4.640 0.001 0.000 0.224 336 D C 1.344 177.659 176.300 0.024 0.000 1.202 336 D CA -0.183 53.852 54.000 0.059 0.000 0.829 336 D CB 0.476 41.307 40.800 0.053 0.000 1.023 336 D HN 0.500 nan 8.370 nan 0.000 0.499 337 R N 0.106 120.586 120.500 -0.033 0.000 2.531 337 R HA 0.312 4.653 4.340 0.001 0.000 0.316 337 R C 0.937 177.159 176.300 -0.130 0.000 0.955 337 R CA 0.158 56.208 56.100 -0.084 0.000 1.120 337 R CB 0.371 30.597 30.300 -0.124 0.000 1.361 337 R HN -0.025 nan 8.270 nan 0.000 0.534 338 A N 1.687 124.464 122.820 -0.071 0.000 1.903 338 A HA 0.128 4.449 4.320 0.001 0.000 0.213 338 A C 2.019 179.725 177.584 0.204 0.000 1.185 338 A CA 0.538 52.561 52.037 -0.023 0.000 0.628 338 A CB -0.321 18.586 19.000 -0.155 0.000 0.830 338 A HN 0.220 nan 8.150 nan 0.000 0.446 339 I N 0.513 121.264 120.570 0.302 0.000 2.130 339 I HA -0.435 3.735 4.170 0.001 0.000 0.241 339 I C 2.721 178.969 176.117 0.217 0.000 1.023 339 I CA 1.723 63.227 61.300 0.340 0.000 1.293 339 I CB -0.735 37.410 38.000 0.242 0.000 1.001 339 I HN 0.356 nan 8.210 nan 0.000 0.407 340 A N -1.114 121.811 122.820 0.175 0.000 2.285 340 A HA -0.220 4.100 4.320 0.001 0.000 0.214 340 A C 1.823 179.625 177.584 0.363 0.000 1.188 340 A CA 1.722 53.875 52.037 0.194 0.000 0.707 340 A CB -0.618 18.457 19.000 0.124 0.000 0.771 340 A HN 0.586 nan 8.150 nan 0.000 0.488 341 Y N -3.699 116.629 120.300 0.047 0.000 2.572 341 Y HA 0.225 4.776 4.550 0.001 0.000 0.274 341 Y C 1.833 177.766 175.900 0.054 0.000 1.135 341 Y CA 0.510 58.638 58.100 0.047 0.000 1.230 341 Y CB -0.140 38.361 38.460 0.068 0.000 1.293 341 Y HN 0.279 nan 8.280 nan 0.000 0.501 342 M N -0.604 119.167 119.600 0.285 0.000 2.288 342 M HA 0.023 4.503 4.480 0.001 0.000 0.266 342 M C 0.894 177.134 176.300 -0.101 0.000 1.072 342 M CA 1.733 57.189 55.300 0.261 0.000 1.132 342 M CB -0.331 32.600 32.600 0.553 0.000 1.386 342 M HN 0.101 nan 8.290 nan 0.000 0.432 343 L N -0.778 120.356 121.223 -0.148 0.000 2.529 343 L HA 0.169 4.509 4.340 0.001 0.000 0.223 343 L C 2.030 178.683 176.870 -0.362 0.000 1.113 343 L CA 1.401 56.040 54.840 -0.336 0.000 0.861 343 L CB -0.928 41.024 42.059 -0.179 0.000 1.012 343 L HN 0.547 nan 8.230 nan 0.000 0.461 344 T N -5.301 109.100 114.554 -0.255 0.000 3.085 344 T HA 0.122 4.473 4.350 0.001 0.000 0.241 344 T C 0.828 175.378 174.700 -0.249 0.000 0.988 344 T CA -0.349 61.616 62.100 -0.224 0.000 1.117 344 T CB -0.024 68.787 68.868 -0.095 0.000 0.978 344 T HN 0.042 nan 8.240 nan 0.000 0.454 345 Q N 3.535 123.186 119.800 -0.249 0.000 2.313 345 Q HA 0.199 4.540 4.340 0.001 0.000 0.266 345 Q C -0.877 175.039 176.000 -0.141 0.000 0.989 345 Q CA 0.118 55.799 55.803 -0.204 0.000 0.890 345 Q CB 0.610 29.169 28.738 -0.298 0.000 1.200 345 Q HN 0.643 nan 8.270 nan 0.000 0.396 346 D N 2.335 122.715 120.400 -0.034 0.000 2.396 346 D HA 0.282 4.923 4.640 0.001 0.000 0.225 346 D C -0.371 176.058 176.300 0.216 0.000 1.121 346 D CA -0.420 53.688 54.000 0.180 0.000 0.853 346 D CB 0.957 41.907 40.800 0.250 0.000 1.043 346 D HN 0.516 nan 8.370 nan 0.000 0.500 347 E N 0.308 120.712 120.200 0.341 0.000 7.359 347 E HA 0.273 4.623 4.350 0.001 0.000 0.193 347 E C -1.991 174.711 176.600 0.171 0.000 0.917 347 E CA 0.052 56.577 56.400 0.208 0.000 1.666 347 E CB -1.037 28.734 29.700 0.118 0.000 0.897 347 E HN 0.752 nan 8.360 nan 0.000 0.277 348 A N 2.837 125.803 122.820 0.245 0.000 2.565 348 A HA 0.624 4.945 4.320 0.001 0.000 0.298 348 A C -1.015 176.722 177.584 0.255 0.000 1.062 348 A CA -0.785 51.389 52.037 0.229 0.000 0.723 348 A CB 1.555 20.697 19.000 0.237 0.000 1.282 348 A HN 0.148 nan 8.150 nan 0.000 0.400 349 Q N 0.975 120.891 119.800 0.192 0.000 2.247 349 Q HA 0.453 4.794 4.340 0.001 0.000 0.288 349 Q C 0.522 176.582 176.000 0.101 0.000 1.079 349 Q CA 1.635 57.519 55.803 0.135 0.000 0.932 349 Q CB 0.573 29.353 28.738 0.070 0.000 1.133 349 Q HN 1.124 nan 8.270 nan 0.000 0.377 350 G N 4.180 113.038 108.800 0.096 0.000 2.601 350 G HA2 0.383 4.343 3.960 0.001 0.000 0.317 350 G HA3 0.383 4.343 3.960 0.001 0.000 0.317 350 G C -1.833 172.920 174.900 -0.245 0.000 1.246 350 G CA -1.551 43.454 45.100 -0.157 0.000 1.012 350 G HN 0.546 nan 8.290 nan 0.000 0.494 351 P HA -0.185 nan 4.420 nan 0.000 0.222 351 P C 0.627 177.450 177.300 -0.794 0.000 1.155 351 P CA 2.017 64.784 63.100 -0.555 0.000 0.890 351 P CB 0.001 31.463 31.700 -0.396 0.000 0.790 352 F N -6.606 113.276 119.950 -0.114 0.000 2.658 352 F HA 0.253 4.780 4.527 0.001 0.000 0.293 352 F C 0.416 176.065 175.800 -0.252 0.000 0.986 352 F CA -0.275 57.560 58.000 -0.275 0.000 1.182 352 F CB 0.002 38.667 39.000 -0.558 0.000 0.965 352 F HN -0.307 nan 8.300 nan 0.000 0.659 353 Y N 0.983 121.446 120.300 0.271 0.000 2.350 353 Y HA 0.588 5.139 4.550 0.001 0.000 0.338 353 Y C 0.278 176.239 175.900 0.101 0.000 0.961 353 Y CA -1.711 56.479 58.100 0.149 0.000 1.100 353 Y CB 1.039 39.638 38.460 0.232 0.000 1.179 353 Y HN -0.219 nan 8.280 nan 0.000 0.454 354 R N 2.088 122.695 120.500 0.179 0.000 2.641 354 R HA 0.376 4.717 4.340 0.001 0.000 0.269 354 R C -0.912 175.462 176.300 0.124 0.000 1.074 354 R CA -0.126 56.046 56.100 0.120 0.000 1.133 354 R CB 0.638 30.969 30.300 0.051 0.000 1.029 354 R HN 0.802 nan 8.270 nan 0.000 0.488 355 Q N 0.920 120.818 119.800 0.163 0.000 2.379 355 Q HA 0.445 4.786 4.340 0.001 0.000 0.278 355 Q C -1.551 174.463 176.000 0.024 0.000 1.068 355 Q CA -0.645 55.239 55.803 0.136 0.000 0.816 355 Q CB 2.133 30.789 28.738 -0.137 0.000 1.387 355 Q HN 0.729 nan 8.270 nan 0.000 0.413 356 S N 2.157 117.824 115.700 -0.056 0.000 2.475 356 S HA 0.407 4.878 4.470 0.001 0.000 0.298 356 S C -0.792 173.679 174.600 -0.215 0.000 1.119 356 S CA -0.563 57.622 58.200 -0.024 0.000 1.085 356 S CB 0.533 63.759 63.200 0.043 0.000 1.028 356 S HN 0.794 nan 8.310 nan 0.000 0.489 357 W N 0.707 121.998 121.300 -0.014 0.000 2.871 357 W HA 0.332 4.993 4.660 0.001 0.000 0.340 357 W C 1.686 178.180 176.519 -0.041 0.000 1.058 357 W CA -0.565 56.749 57.345 -0.053 0.000 1.633 357 W CB -0.160 29.261 29.460 -0.065 0.000 1.067 357 W HN 0.975 nan 8.180 nan 0.000 0.554 358 G N 1.572 110.467 108.800 0.158 0.000 2.435 358 G HA2 -0.071 3.890 3.960 0.001 0.000 0.341 358 G HA3 -0.071 3.890 3.960 0.001 0.000 0.341 358 G C 1.011 175.956 174.900 0.074 0.000 0.816 358 G CA 1.266 46.421 45.100 0.090 0.000 0.790 358 G HN 0.635 nan 8.290 nan 0.000 0.503 359 G N -1.470 107.384 108.800 0.089 0.000 4.203 359 G HA2 0.041 4.002 3.960 0.001 0.000 0.197 359 G HA3 0.041 4.002 3.960 0.001 0.000 0.197 359 G C 0.458 175.396 174.900 0.064 0.000 1.112 359 G CA 0.135 45.272 45.100 0.062 0.000 0.856 359 G HN 0.528 nan 8.290 nan 0.000 0.317 360 M N 2.566 122.227 119.600 0.102 0.000 2.327 360 M HA 0.223 4.704 4.480 0.001 0.000 0.353 360 M C 0.510 176.803 176.300 -0.012 0.000 1.539 360 M CA 0.389 55.736 55.300 0.079 0.000 1.039 360 M CB 0.453 33.163 32.600 0.183 0.000 1.967 360 M HN 0.165 nan 8.290 nan 0.000 0.459 361 K N 3.539 123.901 120.400 -0.062 0.000 2.451 361 K HA 0.224 4.544 4.320 0.001 0.000 0.280 361 K C 0.000 176.485 176.600 -0.192 0.000 1.020 361 K CA -0.280 55.950 56.287 -0.095 0.000 1.008 361 K CB 0.550 33.010 32.500 -0.067 0.000 0.917 361 K HN 0.802 nan 8.250 nan 0.000 0.478 362 A N 2.939 125.642 122.820 -0.196 0.000 2.482 362 A HA -0.011 4.309 4.320 0.001 0.000 0.249 362 A C -0.219 177.223 177.584 -0.235 0.000 1.114 362 A CA -0.214 51.668 52.037 -0.258 0.000 0.797 362 A CB 0.256 19.146 19.000 -0.183 0.000 1.067 362 A HN 0.888 nan 8.150 nan 0.000 0.514 363 C N 0.099 119.246 119.300 -0.255 0.000 2.396 363 C HA 0.704 5.165 4.460 0.001 0.000 0.321 363 C C 0.200 175.093 174.990 -0.162 0.000 1.233 363 C CA -0.220 58.664 59.018 -0.224 0.000 1.440 363 C CB 0.276 27.863 27.740 -0.256 0.000 2.110 363 C HN 0.873 nan 8.230 nan 0.000 0.473 364 T N 8.280 122.770 114.554 -0.108 0.000 2.845 364 T HA 0.459 4.810 4.350 0.001 0.000 0.288 364 T C -2.562 172.119 174.700 -0.031 0.000 0.980 364 T CA -0.435 61.636 62.100 -0.047 0.000 1.071 364 T CB 1.368 70.239 68.868 0.005 0.000 0.941 364 T HN 0.684 nan 8.240 nan 0.000 0.487 365 P HA 0.172 nan 4.420 nan 0.000 0.271 365 P C -0.375 176.930 177.300 0.008 0.000 1.233 365 P CA -0.090 63.025 63.100 0.024 0.000 0.764 365 P CB 0.076 31.827 31.700 0.085 0.000 0.825 366 I N 3.104 123.666 120.570 -0.013 0.000 2.782 366 I HA 0.268 4.439 4.170 0.001 0.000 0.279 366 I C 0.219 176.299 176.117 -0.061 0.000 1.247 366 I CA -1.403 59.860 61.300 -0.062 0.000 1.062 366 I CB 0.153 38.110 38.000 -0.072 0.000 1.421 366 I HN 0.057 nan 8.210 nan 0.000 0.558 367 I N 1.978 122.500 120.570 -0.081 0.000 3.381 367 I HA 0.503 4.674 4.170 0.001 0.000 0.275 367 I C 0.433 176.426 176.117 -0.206 0.000 1.252 367 I CA 0.427 61.654 61.300 -0.121 0.000 1.292 367 I CB 0.254 38.111 38.000 -0.238 0.000 1.396 367 I HN 0.480 nan 8.210 nan 0.000 0.637 368 S N -0.649 114.916 115.700 -0.224 0.000 2.843 368 S HA 0.764 5.234 4.470 0.001 0.000 0.301 368 S C 0.098 174.585 174.600 -0.188 0.000 1.206 368 S CA -0.152 57.905 58.200 -0.238 0.000 0.875 368 S CB 0.744 63.727 63.200 -0.362 0.000 1.248 368 S HN 1.555 nan 8.310 nan 0.000 0.555 369 G N 1.041 109.755 108.800 -0.144 0.000 2.531 369 G HA2 -0.164 3.797 3.960 0.001 0.000 0.274 369 G HA3 -0.164 3.797 3.960 0.001 0.000 0.274 369 G C 0.764 175.603 174.900 -0.101 0.000 1.159 369 G CA 0.379 45.418 45.100 -0.102 0.000 0.969 369 G HN 1.637 nan 8.290 nan 0.000 0.554 370 G N -0.092 108.641 108.800 -0.112 0.000 3.210 370 G HA2 0.398 4.359 3.960 0.001 0.000 0.220 370 G HA3 0.398 4.359 3.960 0.001 0.000 0.220 370 G C 0.763 175.526 174.900 -0.227 0.000 1.200 370 G CA 1.052 46.064 45.100 -0.147 0.000 0.834 370 G HN 0.909 nan 8.290 nan 0.000 0.524 371 M N 2.561 122.025 119.600 -0.226 0.000 2.327 371 M HA 0.158 4.639 4.480 0.001 0.000 0.353 371 M C 0.206 176.351 176.300 -0.260 0.000 1.539 371 M CA -0.512 54.615 55.300 -0.288 0.000 1.039 371 M CB 0.067 32.445 32.600 -0.369 0.000 1.967 371 M HN 0.384 nan 8.290 nan 0.000 0.459 372 N N 4.348 122.874 118.700 -0.290 0.000 2.653 372 N HA 0.664 5.405 4.740 0.001 0.000 0.294 372 N C 0.027 175.430 175.510 -0.180 0.000 1.305 372 N CA -0.260 52.613 53.050 -0.295 0.000 0.827 372 N CB 0.489 38.604 38.487 -0.620 0.000 1.415 372 N HN 0.528 nan 8.380 nan 0.000 0.546 373 A N -0.241 122.509 122.820 -0.117 0.000 1.968 373 A HA 0.082 4.402 4.320 0.001 0.000 0.217 373 A C 1.902 179.437 177.584 -0.082 0.000 1.169 373 A CA 1.081 53.096 52.037 -0.037 0.000 0.638 373 A CB -0.899 18.123 19.000 0.038 0.000 0.812 373 A HN 0.593 nan 8.150 nan 0.000 0.446 374 L N -1.127 119.994 121.223 -0.171 0.000 2.307 374 L HA 0.017 4.358 4.340 0.001 0.000 0.211 374 L C 2.232 179.216 176.870 0.190 0.000 1.099 374 L CA 1.148 55.952 54.840 -0.060 0.000 0.816 374 L CB -0.207 41.701 42.059 -0.252 0.000 0.952 374 L HN 0.407 nan 8.230 nan 0.000 0.455 375 R N -0.862 119.636 120.500 -0.003 0.000 2.397 375 R HA 0.206 4.547 4.340 0.001 0.000 0.241 375 R C 1.813 178.094 176.300 -0.032 0.000 0.914 375 R CA 0.106 56.196 56.100 -0.016 0.000 1.071 375 R CB -0.454 29.803 30.300 -0.072 0.000 1.116 375 R HN 0.090 nan 8.270 nan 0.000 0.524 376 M N 2.972 122.537 119.600 -0.057 0.000 2.082 376 M HA -0.032 4.449 4.480 0.001 0.000 0.258 376 M C -0.974 175.256 176.300 -0.116 0.000 1.071 376 M CA 1.997 57.204 55.300 -0.154 0.000 1.103 376 M CB -0.757 31.802 32.600 -0.069 0.000 1.307 376 M HN -0.035 nan 8.290 nan 0.000 0.409 377 P HA -0.093 nan 4.420 nan 0.000 0.218 377 P C 1.375 178.732 177.300 0.096 0.000 1.146 377 P CA 2.248 65.444 63.100 0.159 0.000 0.813 377 P CB -0.652 31.256 31.700 0.348 0.000 0.778 378 G N -1.485 107.351 108.800 0.061 0.000 2.494 378 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 378 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 378 G C 1.302 176.165 174.900 -0.062 0.000 1.140 378 G CA -0.120 44.997 45.100 0.028 0.000 0.801 378 G HN 0.179 nan 8.290 nan 0.000 0.536 379 F N 0.663 120.469 119.950 -0.240 0.000 2.171 379 F HA 0.089 4.617 4.527 0.001 0.000 0.300 379 F C 1.871 177.490 175.800 -0.301 0.000 1.090 379 F CA 1.011 58.806 58.000 -0.342 0.000 1.293 379 F CB 0.063 38.731 39.000 -0.553 0.000 1.013 379 F HN 0.100 nan 8.300 nan 0.000 0.486 380 F N 0.060 119.860 119.950 -0.251 0.000 2.615 380 F HA 0.059 4.587 4.527 0.001 0.000 0.297 380 F C 2.206 177.796 175.800 -0.351 0.000 1.124 380 F CA 0.608 58.250 58.000 -0.597 0.000 1.451 380 F CB -0.640 37.518 39.000 -1.403 0.000 1.103 380 F HN 0.010 nan 8.300 nan 0.000 0.569 381 E N 0.467 120.705 120.200 0.063 0.000 2.099 381 E HA -0.103 4.248 4.350 0.001 0.000 0.191 381 E C 1.964 178.606 176.600 0.070 0.000 0.962 381 E CA 0.786 57.325 56.400 0.231 0.000 0.826 381 E CB -0.432 29.418 29.700 0.250 0.000 0.788 381 E HN 0.195 nan 8.360 nan 0.000 0.461 382 N N 0.145 118.804 118.700 -0.068 0.000 2.381 382 N HA -0.123 4.618 4.740 0.001 0.000 0.182 382 N C 1.640 177.032 175.510 -0.196 0.000 1.025 382 N CA 0.972 53.942 53.050 -0.135 0.000 0.888 382 N CB -0.108 38.266 38.487 -0.189 0.000 0.965 382 N HN 0.268 nan 8.380 nan 0.000 0.438 383 L N -1.122 119.956 121.223 -0.241 0.000 2.168 383 L HA 0.359 4.700 4.340 0.001 0.000 0.203 383 L C 1.628 178.542 176.870 0.074 0.000 1.078 383 L CA 1.818 56.555 54.840 -0.172 0.000 0.780 383 L CB -0.613 41.230 42.059 -0.360 0.000 0.939 383 L HN 0.304 nan 8.230 nan 0.000 0.451 384 G N -0.074 108.817 108.800 0.150 0.000 2.284 384 G HA2 -0.359 3.601 3.960 0.001 0.000 0.247 384 G HA3 -0.359 3.601 3.960 0.001 0.000 0.247 384 G C 0.185 175.297 174.900 0.354 0.000 1.012 384 G CA 0.431 45.697 45.100 0.277 0.000 0.618 384 G HN 0.833 nan 8.290 nan 0.000 0.521 385 N N -0.901 117.980 118.700 0.302 0.000 2.272 385 N HA 0.752 5.492 4.740 0.001 0.000 0.305 385 N C -0.053 175.577 175.510 0.199 0.000 1.103 385 N CA -0.144 53.073 53.050 0.278 0.000 0.791 385 N CB 2.156 40.781 38.487 0.231 0.000 1.356 385 N HN 0.781 nan 8.380 nan 0.000 0.486 386 A N 1.144 124.023 122.820 0.098 0.000 2.643 386 A HA 0.302 4.622 4.320 0.001 0.000 0.295 386 A C -0.099 177.426 177.584 -0.097 0.000 1.065 386 A CA -0.608 51.219 52.037 -0.350 0.000 0.986 386 A CB -0.461 17.942 19.000 -0.995 0.000 1.212 386 A HN 0.659 nan 8.150 nan 0.000 0.516 387 N N 0.752 119.548 118.700 0.160 0.000 2.322 387 N HA 0.135 4.876 4.740 0.001 0.000 0.216 387 N C 0.519 176.127 175.510 0.163 0.000 1.144 387 N CA 0.357 53.574 53.050 0.277 0.000 0.830 387 N CB 0.376 39.116 38.487 0.423 0.000 1.034 387 N HN 0.491 nan 8.380 nan 0.000 0.484 388 V N -1.362 118.641 119.914 0.148 0.000 3.295 388 V HA 0.463 4.584 4.120 0.001 0.000 0.308 388 V C 0.660 176.733 176.094 -0.036 0.000 1.068 388 V CA -0.877 61.481 62.300 0.096 0.000 1.062 388 V CB 1.305 33.252 31.823 0.207 0.000 1.162 388 V HN -0.089 nan 8.190 nan 0.000 0.456 389 I N 1.752 122.253 120.570 -0.115 0.000 2.378 389 I HA 0.456 4.627 4.170 0.001 0.000 0.291 389 I C -0.748 175.229 176.117 -0.235 0.000 0.992 389 I CA -0.419 60.726 61.300 -0.258 0.000 1.154 389 I CB 1.698 39.445 38.000 -0.421 0.000 1.315 389 I HN 0.551 nan 8.210 nan 0.000 0.448 390 L N 7.219 128.311 121.223 -0.219 0.000 2.295 390 L HA 0.432 4.773 4.340 0.001 0.000 0.281 390 L C 0.295 177.074 176.870 -0.153 0.000 1.018 390 L CA -0.065 54.662 54.840 -0.188 0.000 0.841 390 L CB 1.365 43.322 42.059 -0.170 0.000 1.218 390 L HN 0.685 nan 8.230 nan 0.000 0.424 391 T N 2.734 117.191 114.554 -0.161 0.000 2.723 391 T HA 0.781 5.131 4.350 0.001 0.000 0.297 391 T C 0.027 174.663 174.700 -0.108 0.000 0.925 391 T CA -0.161 61.875 62.100 -0.106 0.000 1.030 391 T CB 1.002 69.816 68.868 -0.089 0.000 0.905 391 T HN 0.779 nan 8.240 nan 0.000 0.502 392 A N 2.503 125.270 122.820 -0.089 0.000 2.350 392 A HA 0.882 5.202 4.320 0.001 0.000 0.324 392 A C 0.897 178.508 177.584 0.045 0.000 1.118 392 A CA -0.470 51.540 52.037 -0.044 0.000 0.783 392 A CB 1.535 20.526 19.000 -0.014 0.000 1.236 392 A HN 1.132 nan 8.150 nan 0.000 0.457 393 G N 0.542 109.431 108.800 0.150 0.000 2.414 393 G HA2 0.346 4.307 3.960 0.001 0.000 0.198 393 G HA3 0.346 4.307 3.960 0.001 0.000 0.198 393 G C 1.003 176.119 174.900 0.359 0.000 1.399 393 G CA 1.171 46.474 45.100 0.337 0.000 0.618 393 G HN 1.152 nan 8.290 nan 0.000 1.054 394 G N 1.218 110.111 108.800 0.154 0.000 2.575 394 G HA2 0.178 4.139 3.960 0.001 0.000 0.215 394 G HA3 0.178 4.139 3.960 0.001 0.000 0.215 394 G C 1.708 176.721 174.900 0.189 0.000 1.262 394 G CA 1.609 46.781 45.100 0.120 0.000 0.807 394 G HN 0.674 nan 8.290 nan 0.000 0.567 395 G N 0.347 109.196 108.800 0.082 0.000 2.598 395 G HA2 0.277 4.238 3.960 0.001 0.000 0.215 395 G HA3 0.277 4.238 3.960 0.001 0.000 0.215 395 G C 1.593 176.651 174.900 0.263 0.000 1.131 395 G CA 1.469 46.648 45.100 0.132 0.000 0.785 395 G HN 0.693 nan 8.290 nan 0.000 0.539 396 A N 0.855 123.807 122.820 0.220 0.000 1.908 396 A HA 0.418 4.739 4.320 0.001 0.000 0.217 396 A C 1.899 179.555 177.584 0.119 0.000 1.378 396 A CA 0.829 52.957 52.037 0.151 0.000 0.613 396 A CB -0.455 18.578 19.000 0.055 0.000 1.053 396 A HN 0.161 nan 8.150 nan 0.000 0.484 397 F N 0.912 120.955 119.950 0.155 0.000 2.259 397 F HA 0.090 4.618 4.527 0.001 0.000 0.298 397 F C 2.645 178.531 175.800 0.143 0.000 1.088 397 F CA 0.530 58.606 58.000 0.127 0.000 1.358 397 F CB -1.238 37.806 39.000 0.072 0.000 1.040 397 F HN 0.282 nan 8.300 nan 0.000 0.505 398 G N -0.952 108.087 108.800 0.398 0.000 2.475 398 G HA2 -0.249 3.711 3.960 0.001 0.000 0.220 398 G HA3 -0.249 3.711 3.960 0.001 0.000 0.220 398 G C 0.741 175.670 174.900 0.049 0.000 1.125 398 G CA 0.450 45.746 45.100 0.327 0.000 0.755 398 G HN 0.379 nan 8.290 nan 0.000 0.565 399 H N -0.327 118.797 119.070 0.089 0.000 3.092 399 H HA 0.002 4.559 4.556 0.001 0.000 0.332 399 H C 1.020 176.314 175.328 -0.057 0.000 1.029 399 H CA 0.167 56.218 56.048 0.005 0.000 1.376 399 H CB 0.630 30.407 29.762 0.024 0.000 1.329 399 H HN 0.104 nan 8.280 nan 0.000 0.598 400 I N 3.008 123.322 120.570 -0.426 0.000 3.564 400 I HA -0.113 4.057 4.170 0.001 0.000 0.294 400 I C 0.200 176.277 176.117 -0.067 0.000 1.289 400 I CA 0.773 61.921 61.300 -0.254 0.000 1.325 400 I CB 0.103 37.892 38.000 -0.353 0.000 1.039 400 I HN 0.517 nan 8.210 nan 0.000 0.474 401 D N 0.634 121.138 120.400 0.173 0.000 2.650 401 D HA 0.285 4.925 4.640 0.001 0.000 0.265 401 D C 0.842 177.241 176.300 0.164 0.000 1.339 401 D CA 0.538 54.694 54.000 0.260 0.000 0.816 401 D CB 0.194 41.198 40.800 0.340 0.000 1.091 401 D HN 0.263 nan 8.370 nan 0.000 0.483 402 G N 2.193 111.076 108.800 0.139 0.000 2.668 402 G HA2 -0.302 3.659 3.960 0.001 0.000 0.266 402 G HA3 -0.302 3.659 3.960 0.001 0.000 0.266 402 G C -1.753 173.131 174.900 -0.027 0.000 1.328 402 G CA -0.489 44.645 45.100 0.057 0.000 0.911 402 G HN 0.063 nan 8.290 nan 0.000 0.567 403 P HA -0.230 nan 4.420 nan 0.000 0.205 403 P C 2.294 179.478 177.300 -0.194 0.000 1.046 403 P CA 2.673 65.718 63.100 -0.092 0.000 0.968 403 P CB -0.443 31.235 31.700 -0.037 0.000 0.753 404 V N -0.217 119.494 119.914 -0.340 0.000 2.255 404 V HA -0.397 3.723 4.120 0.001 0.000 0.258 404 V C 1.970 177.783 176.094 -0.468 0.000 1.069 404 V CA 3.536 65.537 62.300 -0.498 0.000 1.082 404 V CB -1.622 30.038 31.823 -0.270 0.000 0.707 404 V HN 0.270 nan 8.190 nan 0.000 0.466 405 A N -0.941 121.684 122.820 -0.325 0.000 2.218 405 A HA 0.352 4.672 4.320 0.001 0.000 0.209 405 A C 2.122 179.360 177.584 -0.577 0.000 1.168 405 A CA 1.148 52.956 52.037 -0.382 0.000 0.804 405 A CB -0.755 18.056 19.000 -0.314 0.000 0.834 405 A HN 0.895 nan 8.150 nan 0.000 0.482 406 G N -0.453 108.144 108.800 -0.338 0.000 2.403 406 G HA2 0.135 4.096 3.960 0.001 0.000 0.216 406 G HA3 0.135 4.096 3.960 0.001 0.000 0.216 406 G C 1.335 176.219 174.900 -0.027 0.000 1.154 406 G CA 0.984 45.999 45.100 -0.142 0.000 0.784 406 G HN 0.727 nan 8.290 nan 0.000 0.538 407 A N -0.364 122.457 122.820 0.002 0.000 2.348 407 A HA 0.399 4.720 4.320 0.001 0.000 0.224 407 A C 1.947 179.534 177.584 0.006 0.000 1.227 407 A CA 0.345 52.442 52.037 0.099 0.000 0.885 407 A CB -0.021 19.203 19.000 0.373 0.000 0.933 407 A HN 0.283 nan 8.150 nan 0.000 0.506 408 R N -0.243 120.195 120.500 -0.103 0.000 2.317 408 R HA 0.091 4.432 4.340 0.001 0.000 0.208 408 R C 1.529 177.815 176.300 -0.024 0.000 0.914 408 R CA 1.107 57.160 56.100 -0.078 0.000 1.060 408 R CB 0.018 30.225 30.300 -0.154 0.000 1.015 408 R HN 0.411 nan 8.270 nan 0.000 0.498 409 S N -1.111 114.584 115.700 -0.009 0.000 2.524 409 S HA 0.077 4.548 4.470 0.001 0.000 0.222 409 S C 1.339 176.027 174.600 0.147 0.000 1.040 409 S CA -0.243 58.004 58.200 0.079 0.000 0.915 409 S CB 0.196 63.421 63.200 0.042 0.000 0.831 409 S HN 0.213 nan 8.310 nan 0.000 0.492 410 L N 2.200 123.499 121.223 0.127 0.000 2.034 410 L HA 0.410 4.751 4.340 0.001 0.000 0.203 410 L C 2.663 179.683 176.870 0.251 0.000 1.074 410 L CA 1.565 56.499 54.840 0.157 0.000 0.748 410 L CB -1.216 40.912 42.059 0.115 0.000 0.905 410 L HN 0.256 nan 8.230 nan 0.000 0.439 411 R N -0.231 120.416 120.500 0.245 0.000 2.115 411 R HA -0.205 4.136 4.340 0.001 0.000 0.239 411 R C 2.298 178.853 176.300 0.424 0.000 1.133 411 R CA 1.728 58.065 56.100 0.394 0.000 0.935 411 R CB -0.530 29.948 30.300 0.297 0.000 0.853 411 R HN 0.421 nan 8.270 nan 0.000 0.433 412 Q N -0.120 119.840 119.800 0.268 0.000 2.028 412 Q HA -0.295 4.046 4.340 0.001 0.000 0.213 412 Q C 2.125 178.240 176.000 0.192 0.000 1.017 412 Q CA 2.202 58.178 55.803 0.288 0.000 0.875 412 Q CB -1.004 27.928 28.738 0.324 0.000 0.962 412 Q HN 0.495 nan 8.270 nan 0.000 0.413 413 A N 0.982 123.962 122.820 0.266 0.000 1.884 413 A HA -0.222 4.099 4.320 0.001 0.000 0.219 413 A C 1.886 179.639 177.584 0.283 0.000 1.197 413 A CA 2.014 54.203 52.037 0.253 0.000 0.637 413 A CB -1.356 17.790 19.000 0.244 0.000 0.827 413 A HN 0.663 nan 8.150 nan 0.000 0.450 414 W N 0.484 121.904 121.300 0.199 0.000 2.354 414 W HA -0.227 4.434 4.660 0.001 0.000 0.315 414 W C 2.355 178.949 176.519 0.125 0.000 1.206 414 W CA 2.088 59.561 57.345 0.213 0.000 1.290 414 W CB -0.713 28.839 29.460 0.154 0.000 1.152 414 W HN 0.504 nan 8.180 nan 0.000 0.489 415 Q N 0.914 120.337 119.800 -0.629 0.000 2.030 415 Q HA -0.243 4.097 4.340 0.001 0.000 0.204 415 Q C 2.350 177.909 176.000 -0.735 0.000 0.986 415 Q CA 2.803 57.995 55.803 -1.018 0.000 0.843 415 Q CB -0.780 27.584 28.738 -0.624 0.000 0.904 415 Q HN 0.332 nan 8.270 nan 0.000 0.420 416 A N 0.690 122.993 122.820 -0.861 0.000 1.896 416 A HA -0.275 4.046 4.320 0.001 0.000 0.220 416 A C 1.786 179.163 177.584 -0.345 0.000 1.206 416 A CA 1.857 53.322 52.037 -0.952 0.000 0.647 416 A CB -1.759 16.874 19.000 -0.613 0.000 0.828 416 A HN 0.841 nan 8.150 nan 0.000 0.455 417 W N 1.423 122.525 121.300 -0.331 0.000 2.318 417 W HA -0.168 4.493 4.660 0.001 0.000 0.313 417 W C 1.341 177.717 176.519 -0.239 0.000 1.221 417 W CA 1.904 59.140 57.345 -0.182 0.000 1.266 417 W CB -0.009 29.429 29.460 -0.037 0.000 1.150 417 W HN 0.338 nan 8.180 nan 0.000 0.496 418 R N 1.685 121.939 120.500 -0.411 0.000 2.210 418 R HA 0.149 4.490 4.340 0.001 0.000 0.338 418 R C -0.712 175.313 176.300 -0.460 0.000 1.062 418 R CA 0.834 56.577 56.100 -0.595 0.000 0.902 418 R CB 0.907 30.968 30.300 -0.399 0.000 1.050 418 R HN 0.202 nan 8.270 nan 0.000 0.461 419 D N 2.408 122.561 120.400 -0.413 0.000 1.599 419 D HA -0.058 4.583 4.640 0.001 0.000 0.261 419 D C 0.001 176.162 176.300 -0.231 0.000 0.484 419 D CA 1.478 55.314 54.000 -0.273 0.000 1.053 419 D CB -1.206 39.452 40.800 -0.237 0.000 1.466 419 D HN 0.826 nan 8.370 nan 0.000 0.808 420 G N 0.887 109.530 108.800 -0.261 0.000 2.919 420 G HA2 0.082 4.043 3.960 0.001 0.000 0.225 420 G HA3 0.082 4.043 3.960 0.001 0.000 0.225 420 G C -0.566 174.286 174.900 -0.080 0.000 1.117 420 G CA 0.079 45.066 45.100 -0.188 0.000 1.033 420 G HN 0.537 nan 8.290 nan 0.000 0.532 421 V N 1.261 121.151 119.914 -0.040 0.000 2.495 421 V HA 0.597 4.718 4.120 0.001 0.000 0.298 421 V C -1.879 174.281 176.094 0.109 0.000 1.031 421 V CA -1.784 60.550 62.300 0.056 0.000 0.871 421 V CB 2.244 34.136 31.823 0.115 0.000 0.988 421 V HN 0.295 nan 8.190 nan 0.000 0.432 422 P HA 0.142 nan 4.420 nan 0.000 0.267 422 P C 1.099 178.519 177.300 0.201 0.000 1.328 422 P CA -0.008 63.201 63.100 0.182 0.000 0.990 422 P CB 0.607 32.401 31.700 0.157 0.000 1.168 423 V N 3.278 123.340 119.914 0.246 0.000 2.453 423 V HA -0.308 3.813 4.120 0.001 0.000 0.270 423 V C 1.956 178.093 176.094 0.071 0.000 1.143 423 V CA 1.858 64.293 62.300 0.226 0.000 1.128 423 V CB -1.061 30.906 31.823 0.240 0.000 0.711 423 V HN 0.534 nan 8.190 nan 0.000 0.463 424 L N -0.995 120.189 121.223 -0.066 0.000 2.554 424 L HA 0.006 4.346 4.340 0.001 0.000 0.226 424 L C 1.605 178.354 176.870 -0.202 0.000 1.137 424 L CA 0.919 55.561 54.840 -0.330 0.000 0.863 424 L CB -0.185 41.779 42.059 -0.158 0.000 0.985 424 L HN 0.315 nan 8.230 nan 0.000 0.451 425 D N -2.850 117.519 120.400 -0.052 0.000 2.457 425 D HA -0.060 4.581 4.640 0.001 0.000 0.254 425 D C 1.587 177.890 176.300 0.005 0.000 1.097 425 D CA 0.035 54.012 54.000 -0.039 0.000 0.870 425 D CB 0.143 40.943 40.800 0.001 0.000 1.253 425 D HN 0.070 nan 8.370 nan 0.000 0.500 426 Y N 2.228 122.531 120.300 0.005 0.000 2.128 426 Y HA -0.123 4.428 4.550 0.001 0.000 0.284 426 Y C 2.000 177.880 175.900 -0.033 0.000 1.154 426 Y CA 1.880 60.036 58.100 0.093 0.000 1.149 426 Y CB -0.263 38.313 38.460 0.193 0.000 0.976 426 Y HN -0.049 nan 8.280 nan 0.000 0.505 427 A N 0.151 123.000 122.820 0.049 0.000 2.248 427 A HA -0.060 4.260 4.320 0.001 0.000 0.210 427 A C 2.109 179.493 177.584 -0.334 0.000 1.174 427 A CA 0.855 52.825 52.037 -0.111 0.000 0.750 427 A CB -0.607 18.427 19.000 0.056 0.000 0.780 427 A HN 0.537 nan 8.150 nan 0.000 0.478 428 R N -0.789 119.503 120.500 -0.348 0.000 2.265 428 R HA 0.019 4.360 4.340 0.001 0.000 0.194 428 R C 0.700 176.802 176.300 -0.331 0.000 0.931 428 R CA 0.698 56.638 56.100 -0.267 0.000 1.032 428 R CB 0.265 30.466 30.300 -0.164 0.000 0.980 428 R HN 0.466 nan 8.270 nan 0.000 0.497 429 E N -0.262 119.595 120.200 -0.571 0.000 2.431 429 E HA 0.039 4.390 4.350 0.001 0.000 0.200 429 E C -0.225 176.096 176.600 -0.465 0.000 0.995 429 E CA 0.463 56.598 56.400 -0.441 0.000 0.915 429 E CB 0.260 29.788 29.700 -0.285 0.000 0.930 429 E HN 0.491 nan 8.360 nan 0.000 0.496 430 H N -2.271 116.691 119.070 -0.180 0.000 2.974 430 H HA 0.421 4.977 4.556 0.001 0.000 0.366 430 H C 0.647 175.950 175.328 -0.041 0.000 1.155 430 H CA -0.941 55.037 56.048 -0.116 0.000 1.186 430 H CB 1.647 31.321 29.762 -0.147 0.000 1.799 430 H HN -0.330 nan 8.280 nan 0.000 0.541 431 K N 1.049 121.510 120.400 0.101 0.000 2.020 431 K HA -0.227 4.093 4.320 0.001 0.000 0.212 431 K C 0.719 177.428 176.600 0.182 0.000 1.050 431 K CA 2.204 58.557 56.287 0.111 0.000 0.929 431 K CB -0.004 32.548 32.500 0.086 0.000 0.714 431 K HN 0.730 nan 8.250 nan 0.000 0.443 432 E N 1.164 121.470 120.200 0.177 0.000 2.026 432 E HA -0.222 4.129 4.350 0.001 0.000 0.206 432 E C 1.870 178.640 176.600 0.283 0.000 1.028 432 E CA 1.343 57.829 56.400 0.144 0.000 0.845 432 E CB -0.635 29.078 29.700 0.021 0.000 0.772 432 E HN 0.251 nan 8.360 nan 0.000 0.462 433 L N -0.159 121.277 121.223 0.357 0.000 2.353 433 L HA 0.001 4.342 4.340 0.001 0.000 0.220 433 L C 1.742 178.849 176.870 0.396 0.000 1.133 433 L CA 1.523 56.603 54.840 0.400 0.000 0.798 433 L CB -0.456 41.932 42.059 0.548 0.000 0.922 433 L HN 0.157 nan 8.230 nan 0.000 0.445 434 A N -1.506 121.471 122.820 0.262 0.000 2.178 434 A HA 0.064 4.384 4.320 0.001 0.000 0.211 434 A C 2.284 179.985 177.584 0.196 0.000 1.157 434 A CA 0.340 52.489 52.037 0.185 0.000 0.780 434 A CB -0.245 18.786 19.000 0.051 0.000 0.828 434 A HN 0.409 nan 8.150 nan 0.000 0.476 435 R N -1.199 119.417 120.500 0.193 0.000 2.308 435 R HA 0.258 4.599 4.340 0.001 0.000 0.202 435 R C 2.138 178.391 176.300 -0.080 0.000 0.898 435 R CA 0.688 56.819 56.100 0.052 0.000 1.046 435 R CB 0.059 30.390 30.300 0.051 0.000 1.026 435 R HN 0.446 nan 8.270 nan 0.000 0.512 436 A N 0.927 123.832 122.820 0.142 0.000 1.845 436 A HA -0.150 4.171 4.320 0.001 0.000 0.215 436 A C 1.626 179.133 177.584 -0.130 0.000 1.195 436 A CA 1.154 53.241 52.037 0.083 0.000 0.616 436 A CB -0.726 18.337 19.000 0.105 0.000 0.832 436 A HN 0.198 nan 8.150 nan 0.000 0.443 437 F N -0.109 119.697 119.950 -0.241 0.000 2.225 437 F HA -0.178 4.350 4.527 0.001 0.000 0.302 437 F C 2.095 177.280 175.800 -1.024 0.000 1.068 437 F CA 1.899 59.502 58.000 -0.662 0.000 1.327 437 F CB -0.057 38.508 39.000 -0.724 0.000 1.043 437 F HN 0.322 nan 8.300 nan 0.000 0.506 438 E N -1.409 118.550 120.200 -0.402 0.000 2.496 438 E HA 0.125 4.476 4.350 0.001 0.000 0.200 438 E C 1.223 177.688 176.600 -0.225 0.000 1.016 438 E CA -0.107 56.177 56.400 -0.194 0.000 0.962 438 E CB 0.204 29.948 29.700 0.073 0.000 1.071 438 E HN 0.124 nan 8.360 nan 0.000 0.457 439 S N -0.628 114.857 115.700 -0.358 0.000 2.830 439 S HA 0.243 4.714 4.470 0.001 0.000 0.249 439 S C -0.185 173.913 174.600 -0.837 0.000 1.084 439 S CA -0.225 57.616 58.200 -0.598 0.000 0.852 439 S CB 0.494 63.257 63.200 -0.728 0.000 0.802 439 S HN 0.113 nan 8.310 nan 0.000 0.481 440 F N 1.978 121.818 119.950 -0.184 0.000 2.402 440 F HA 0.461 4.988 4.527 0.001 0.000 0.355 440 F C -1.502 174.219 175.800 -0.132 0.000 1.123 440 F CA -2.147 55.768 58.000 -0.142 0.000 1.021 440 F CB 0.840 39.754 39.000 -0.143 0.000 1.160 440 F HN -0.025 nan 8.300 nan 0.000 0.451 441 P HA -0.272 nan 4.420 nan 0.000 0.257 441 P C 0.286 177.684 177.300 0.163 0.000 0.790 441 P CA 2.315 65.483 63.100 0.113 0.000 1.099 441 P CB 0.010 31.788 31.700 0.131 0.000 0.810 442 G N -2.212 106.699 108.800 0.185 0.000 3.446 442 G HA2 0.342 4.303 3.960 0.001 0.000 0.314 442 G HA3 0.342 4.303 3.960 0.001 0.000 0.314 442 G C -0.435 174.540 174.900 0.125 0.000 1.539 442 G CA -0.112 45.103 45.100 0.192 0.000 0.848 442 G HN 0.164 nan 8.290 nan 0.000 0.488 443 D N 1.349 121.806 120.400 0.095 0.000 2.318 443 D HA 0.088 4.729 4.640 0.001 0.000 0.294 443 D C 2.126 178.477 176.300 0.086 0.000 1.091 443 D CA 0.644 54.672 54.000 0.047 0.000 0.883 443 D CB 1.054 41.861 40.800 0.011 0.000 1.545 443 D HN 0.394 nan 8.370 nan 0.000 0.513 444 A N 0.345 123.231 122.820 0.111 0.000 2.238 444 A HA 0.074 4.395 4.320 0.001 0.000 0.210 444 A C 1.105 178.944 177.584 0.424 0.000 1.179 444 A CA 0.818 52.958 52.037 0.171 0.000 0.827 444 A CB 0.304 19.073 19.000 -0.384 0.000 0.856 444 A HN -0.038 nan 8.150 nan 0.000 0.488 445 D N -2.333 118.242 120.400 0.293 0.000 2.403 445 D HA -0.019 4.622 4.640 0.001 0.000 0.280 445 D C 1.887 178.284 176.300 0.161 0.000 1.091 445 D CA 0.238 54.403 54.000 0.275 0.000 0.884 445 D CB -0.192 40.769 40.800 0.268 0.000 1.427 445 D HN 0.316 nan 8.370 nan 0.000 0.504 446 Q N 0.922 120.788 119.800 0.111 0.000 1.941 446 Q HA -0.034 4.307 4.340 0.001 0.000 0.201 446 Q C 2.105 178.111 176.000 0.010 0.000 0.982 446 Q CA 1.204 57.036 55.803 0.049 0.000 0.839 446 Q CB 0.024 28.776 28.738 0.024 0.000 0.904 446 Q HN 0.236 nan 8.270 nan 0.000 0.427 447 I N -0.808 119.736 120.570 -0.043 0.000 2.480 447 I HA -0.119 4.052 4.170 0.001 0.000 0.251 447 I C 0.282 176.162 176.117 -0.395 0.000 1.124 447 I CA 0.424 61.584 61.300 -0.232 0.000 1.444 447 I CB 0.081 37.858 38.000 -0.371 0.000 1.098 447 I HN 0.027 nan 8.210 nan 0.000 0.428 448 Y N 3.185 123.606 120.300 0.201 0.000 2.417 448 Y HA 0.356 4.907 4.550 0.001 0.000 0.336 448 Y C -2.179 173.900 175.900 0.298 0.000 0.961 448 Y CA -3.756 54.527 58.100 0.305 0.000 1.215 448 Y CB -0.014 38.774 38.460 0.547 0.000 1.120 448 Y HN -0.080 nan 8.280 nan 0.000 0.499 449 P HA -0.027 nan 4.420 nan 0.000 0.265 449 P C 0.563 178.014 177.300 0.251 0.000 1.193 449 P CA 0.277 63.513 63.100 0.228 0.000 0.765 449 P CB 0.784 32.580 31.700 0.159 0.000 0.823 450 G N 4.463 113.370 108.800 0.177 0.000 2.330 450 G HA2 -0.209 3.752 3.960 0.001 0.000 0.267 450 G HA3 -0.209 3.752 3.960 0.001 0.000 0.267 450 G C 1.081 176.040 174.900 0.099 0.000 0.358 450 G CA 0.231 45.382 45.100 0.084 0.000 1.074 450 G HN 0.811 nan 8.290 nan 0.000 0.466 451 W N 3.022 124.381 121.300 0.098 0.000 2.576 451 W HA 0.028 4.689 4.660 0.001 0.000 0.270 451 W C 1.431 177.943 176.519 -0.011 0.000 1.255 451 W CA 0.280 57.651 57.345 0.043 0.000 1.314 451 W CB -0.436 29.146 29.460 0.203 0.000 1.101 451 W HN 0.377 nan 8.180 nan 0.000 0.595 452 R N 1.773 121.676 120.500 -0.994 0.000 2.159 452 R HA -0.105 4.235 4.340 0.001 0.000 0.237 452 R C -0.130 175.892 176.300 -0.464 0.000 1.131 452 R CA 1.097 56.566 56.100 -1.052 0.000 0.982 452 R CB -0.615 29.236 30.300 -0.748 0.000 0.868 452 R HN 0.163 nan 8.270 nan 0.000 0.453 453 K N -0.030 120.204 120.400 -0.276 0.000 2.521 453 K HA 0.538 4.858 4.320 0.001 0.000 0.248 453 K C -0.809 175.737 176.600 -0.090 0.000 0.978 453 K CA 0.015 56.211 56.287 -0.151 0.000 0.947 453 K CB 1.746 34.178 32.500 -0.114 0.000 1.165 453 K HN 0.154 nan 8.250 nan 0.000 0.445 454 A N 2.706 125.477 122.820 -0.081 0.000 4.144 454 A HA 0.076 4.397 4.320 0.001 0.000 0.224 454 A C -0.151 177.390 177.584 -0.072 0.000 1.139 454 A CA 0.049 52.049 52.037 -0.062 0.000 0.795 454 A CB -1.746 17.230 19.000 -0.041 0.000 0.980 454 A HN 0.751 nan 8.150 nan 0.000 0.405 455 L N -2.255 118.931 121.223 -0.061 0.000 1.768 455 L HA 0.450 4.791 4.340 0.001 0.000 0.209 455 L C 1.300 178.178 176.870 0.013 0.000 1.261 455 L CA 0.916 55.734 54.840 -0.036 0.000 1.367 455 L CB -0.490 41.597 42.059 0.047 0.000 2.595 455 L HN 2.329 nan 8.230 nan 0.000 0.489 456 G N -0.419 108.371 108.800 -0.016 0.000 1.969 456 G HA2 0.362 4.322 3.960 0.001 0.000 0.055 456 G HA3 0.362 4.322 3.960 0.001 0.000 0.055 456 G C -0.276 174.557 174.900 -0.111 0.000 0.734 456 G CA 0.607 45.692 45.100 -0.026 0.000 1.109 456 G HN 0.933 nan 8.290 nan 0.000 0.348 457 V N 0.000 119.846 119.914 -0.113 0.000 2.409 457 V HA 0.000 4.121 4.120 0.001 0.000 0.244 457 V CA 0.000 62.162 62.300 -0.230 0.000 1.235 457 V CB 0.000 31.715 31.823 -0.181 0.000 1.184 457 V HN 0.000 nan 8.190 nan 0.000 0.556