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 1zod_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.875 176.870 0.009 0.000 1.165 3 L CA 0.000 54.842 54.840 0.004 0.000 0.813 3 L CB 0.000 42.068 42.059 0.016 0.000 0.961 4 N N 0.667 119.387 118.700 0.034 0.000 2.520 4 N HA -0.060 4.680 4.740 0.001 0.000 0.185 4 N C -0.032 175.631 175.510 0.255 0.000 1.068 4 N CA 1.098 54.203 53.050 0.093 0.000 0.911 4 N CB 0.061 38.605 38.487 0.095 0.000 0.961 4 N HN 0.577 nan 8.380 nan 0.000 0.446 5 D N 0.702 121.202 120.400 0.166 0.000 2.349 5 D HA -0.072 4.569 4.640 0.001 0.000 0.224 5 D C 0.028 176.503 176.300 0.291 0.000 1.029 5 D CA 0.132 54.253 54.000 0.201 0.000 0.879 5 D CB -0.320 40.528 40.800 0.080 0.000 0.906 5 D HN 0.118 nan 8.370 nan 0.000 0.528 6 D N 1.119 121.656 120.400 0.229 0.000 2.899 6 D HA -0.129 4.511 4.640 0.001 0.000 0.254 6 D C 1.314 177.782 176.300 0.280 0.000 1.320 6 D CA 0.083 54.184 54.000 0.168 0.000 0.929 6 D CB 0.557 41.380 40.800 0.039 0.000 1.148 6 D HN 0.077 nan 8.370 nan 0.000 0.571 7 A N 3.637 126.577 122.820 0.200 0.000 1.892 7 A HA -0.254 4.066 4.320 0.001 0.000 0.218 7 A C 2.253 179.922 177.584 0.141 0.000 1.188 7 A CA 2.578 54.724 52.037 0.181 0.000 0.631 7 A CB -0.921 18.140 19.000 0.102 0.000 0.822 7 A HN 0.702 nan 8.150 nan 0.000 0.447 8 T N -3.609 111.000 114.554 0.092 0.000 2.904 8 T HA -0.116 4.234 4.350 0.001 0.000 0.267 8 T C 1.688 176.390 174.700 0.003 0.000 1.059 8 T CA 1.428 63.549 62.100 0.035 0.000 1.137 8 T CB -0.470 68.416 68.868 0.030 0.000 0.879 8 T HN 0.375 nan 8.240 nan 0.000 0.467 9 F N 0.526 120.387 119.950 -0.149 0.000 2.113 9 F HA 0.117 4.644 4.527 0.001 0.000 0.297 9 F C 1.797 177.337 175.800 -0.433 0.000 1.103 9 F CA 0.777 58.576 58.000 -0.335 0.000 1.248 9 F CB -0.471 38.242 39.000 -0.478 0.000 0.999 9 F HN 0.153 nan 8.300 nan 0.000 0.475 10 W N 0.550 121.961 121.300 0.185 0.000 2.467 10 W HA 0.021 4.681 4.660 0.001 0.000 0.275 10 W C 2.727 179.171 176.519 -0.124 0.000 1.239 10 W CA 0.942 58.314 57.345 0.046 0.000 1.266 10 W CB -0.382 29.149 29.460 0.117 0.000 1.112 10 W HN -0.103 nan 8.180 nan 0.000 0.576 11 R N 0.773 121.273 120.500 0.000 0.000 2.066 11 R HA -0.157 4.183 4.340 0.001 0.000 0.232 11 R C 1.777 177.817 176.300 -0.435 0.000 1.131 11 R CA 1.689 57.635 56.100 -0.257 0.000 0.955 11 R CB -0.519 29.631 30.300 -0.250 0.000 0.851 11 R HN 0.101 nan 8.270 nan 0.000 0.432 12 N N 0.673 119.196 118.700 -0.295 0.000 2.166 12 N HA -0.130 4.611 4.740 0.001 0.000 0.186 12 N C 1.578 176.949 175.510 -0.232 0.000 1.019 12 N CA 1.438 54.366 53.050 -0.203 0.000 0.856 12 N CB -0.334 38.064 38.487 -0.148 0.000 0.993 12 N HN 0.310 nan 8.380 nan 0.000 0.426 13 A N 2.052 124.645 122.820 -0.379 0.000 1.877 13 A HA -0.186 4.134 4.320 0.001 0.000 0.216 13 A C 2.210 179.740 177.584 -0.090 0.000 1.186 13 A CA 1.656 53.489 52.037 -0.340 0.000 0.620 13 A CB -0.483 18.205 19.000 -0.519 0.000 0.822 13 A HN 0.511 nan 8.150 nan 0.000 0.443 14 R N -1.204 119.284 120.500 -0.021 0.000 2.092 14 R HA -0.097 4.243 4.340 0.001 0.000 0.231 14 R C 1.873 178.220 176.300 0.078 0.000 1.119 14 R CA 1.734 57.878 56.100 0.074 0.000 0.970 14 R CB -0.846 29.514 30.300 0.100 0.000 0.864 14 R HN 0.720 nan 8.270 nan 0.000 0.440 15 H N -0.830 118.119 119.070 -0.202 0.000 2.470 15 H HA 0.037 4.594 4.556 0.001 0.000 0.289 15 H C 0.857 175.885 175.328 -0.500 0.000 1.033 15 H CA 0.716 56.512 56.048 -0.420 0.000 1.331 15 H CB 0.281 29.589 29.762 -0.758 0.000 1.414 15 H HN 0.387 nan 8.280 nan 0.000 0.545 16 H N -0.763 118.371 119.070 0.106 0.000 2.923 16 H HA 0.264 4.820 4.556 0.001 0.000 0.268 16 H C -0.142 175.205 175.328 0.031 0.000 1.148 16 H CA 0.018 56.093 56.048 0.045 0.000 1.146 16 H CB 1.003 30.769 29.762 0.006 0.000 1.607 16 H HN 0.127 nan 8.280 nan 0.000 0.566 17 L N 1.379 122.678 121.223 0.126 0.000 2.317 17 L HA 0.339 4.680 4.340 0.001 0.000 0.281 17 L C 0.089 177.083 176.870 0.207 0.000 1.024 17 L CA -0.935 53.995 54.840 0.149 0.000 0.810 17 L CB 2.621 44.743 42.059 0.106 0.000 1.240 17 L HN -0.209 nan 8.230 nan 0.000 0.427 18 V N 3.769 123.822 119.914 0.233 0.000 2.488 18 V HA 0.206 4.326 4.120 0.001 0.000 0.277 18 V C 0.494 176.785 176.094 0.327 0.000 1.046 18 V CA -0.345 62.093 62.300 0.231 0.000 0.986 18 V CB 1.021 32.970 31.823 0.211 0.000 0.989 18 V HN 0.673 nan 8.190 nan 0.000 0.475 19 R N 3.944 124.557 120.500 0.189 0.000 2.390 19 R HA 0.301 4.641 4.340 0.001 0.000 0.291 19 R C -0.255 176.067 176.300 0.036 0.000 1.070 19 R CA -0.138 55.959 56.100 -0.004 0.000 1.014 19 R CB 0.515 30.764 30.300 -0.085 0.000 1.007 19 R HN 0.865 nan 8.270 nan 0.000 0.466 20 Y N -1.178 119.114 120.300 -0.012 0.000 2.738 20 Y HA 0.531 5.081 4.550 0.001 0.000 0.249 20 Y C 0.154 176.040 175.900 -0.024 0.000 1.153 20 Y CA -0.605 57.502 58.100 0.012 0.000 1.165 20 Y CB 0.790 39.290 38.460 0.067 0.000 1.235 20 Y HN 0.717 nan 8.280 nan 0.000 0.559 21 G N -0.366 108.316 108.800 -0.198 0.000 2.801 21 G HA2 0.463 4.423 3.960 0.001 0.000 0.648 21 G HA3 0.463 4.423 3.960 0.001 0.000 0.648 21 G C -0.081 174.643 174.900 -0.292 0.000 1.415 21 G CA -0.357 44.657 45.100 -0.144 0.000 0.887 21 G HN 1.379 nan 8.290 nan 0.000 0.627 22 G N 0.095 108.759 108.800 -0.227 0.000 2.645 22 G HA2 0.434 4.395 3.960 0.001 0.000 0.239 22 G HA3 0.434 4.395 3.960 0.001 0.000 0.239 22 G C 0.380 175.070 174.900 -0.351 0.000 1.331 22 G CA 0.788 45.744 45.100 -0.239 0.000 0.890 22 G HN 2.824 nan 8.290 nan 0.000 0.572 23 T N -2.481 111.888 114.554 -0.308 0.000 2.916 23 T HA 0.696 5.047 4.350 0.001 0.000 0.292 23 T C -0.370 174.171 174.700 -0.265 0.000 1.055 23 T CA -0.755 61.152 62.100 -0.323 0.000 1.009 23 T CB 1.861 70.643 68.868 -0.144 0.000 1.118 23 T HN 0.850 nan 8.240 nan 0.000 0.497 24 F N 1.001 120.949 119.950 -0.003 0.000 2.399 24 F HA 0.510 5.038 4.527 0.001 0.000 0.342 24 F C 1.126 176.983 175.800 0.095 0.000 1.106 24 F CA -0.968 57.081 58.000 0.080 0.000 1.196 24 F CB 0.530 39.649 39.000 0.199 0.000 1.163 24 F HN 0.626 nan 8.300 nan 0.000 0.547 25 E N 4.190 124.591 120.200 0.334 0.000 2.413 25 E HA 0.042 4.392 4.350 0.001 0.000 0.263 25 E C -1.835 174.906 176.600 0.235 0.000 1.015 25 E CA -1.052 55.477 56.400 0.214 0.000 0.916 25 E CB 0.392 30.209 29.700 0.196 0.000 0.947 25 E HN 0.200 nan 8.360 nan 0.000 0.440 26 P HA 0.044 nan 4.420 nan 0.000 0.235 26 P C -0.942 176.414 177.300 0.093 0.000 1.725 26 P CA 0.353 63.419 63.100 -0.057 0.000 0.894 26 P CB -0.459 31.160 31.700 -0.135 0.000 1.704 27 M N -1.466 118.309 119.600 0.291 0.000 2.664 27 M HA 0.565 5.045 4.480 0.001 0.000 0.279 27 M C -1.379 175.051 176.300 0.217 0.000 1.275 27 M CA -1.439 53.997 55.300 0.227 0.000 0.829 27 M CB 2.161 34.827 32.600 0.111 0.000 1.727 27 M HN -0.352 nan 8.290 nan 0.000 0.459 28 I N 2.962 123.525 120.570 -0.012 0.000 2.354 28 I HA 0.342 4.512 4.170 0.001 0.000 0.286 28 I C -0.699 175.339 176.117 -0.132 0.000 1.007 28 I CA -0.865 60.268 61.300 -0.277 0.000 1.167 28 I CB 1.482 39.077 38.000 -0.674 0.000 1.320 28 I HN 0.527 nan 8.210 nan 0.000 0.458 29 I N 6.305 126.839 120.570 -0.060 0.000 2.396 29 I HA 0.108 4.278 4.170 0.001 0.000 0.289 29 I C 1.112 177.217 176.117 -0.020 0.000 1.056 29 I CA 0.518 61.811 61.300 -0.012 0.000 1.365 29 I CB 0.649 38.658 38.000 0.016 0.000 1.407 29 I HN 0.729 nan 8.210 nan 0.000 0.509 30 E N 5.696 125.898 120.200 0.004 0.000 2.447 30 E HA 0.126 4.477 4.350 0.001 0.000 0.204 30 E C 0.066 176.683 176.600 0.027 0.000 0.977 30 E CA 0.094 56.495 56.400 0.001 0.000 0.950 30 E CB 0.796 30.484 29.700 -0.020 0.000 0.975 30 E HN 0.623 nan 8.360 nan 0.000 0.496 31 R N -0.872 119.676 120.500 0.079 0.000 2.733 31 R HA 0.790 5.130 4.340 0.001 0.000 0.272 31 R C -1.697 174.713 176.300 0.184 0.000 1.029 31 R CA -1.020 55.136 56.100 0.093 0.000 0.888 31 R CB 1.285 31.600 30.300 0.025 0.000 1.251 31 R HN -0.050 nan 8.270 nan 0.000 0.464 32 A N 1.048 123.956 122.820 0.148 0.000 2.547 32 A HA 0.744 5.064 4.320 0.001 0.000 0.297 32 A C -1.657 176.057 177.584 0.217 0.000 1.056 32 A CA -0.705 51.381 52.037 0.082 0.000 0.688 32 A CB 2.254 21.047 19.000 -0.346 0.000 1.282 32 A HN 0.643 nan 8.150 nan 0.000 0.400 33 K N 1.000 121.606 120.400 0.343 0.000 2.571 33 K HA 0.597 4.917 4.320 0.001 0.000 0.252 33 K C 0.529 177.352 176.600 0.372 0.000 0.956 33 K CA 0.950 57.435 56.287 0.330 0.000 0.822 33 K CB 1.210 33.874 32.500 0.273 0.000 1.286 33 K HN 2.473 nan 8.250 nan 0.000 0.439 34 G N 2.024 111.000 108.800 0.294 0.000 2.622 34 G HA2 -0.324 3.637 3.960 0.001 0.000 0.307 34 G HA3 -0.324 3.637 3.960 0.001 0.000 0.307 34 G C 0.496 175.543 174.900 0.245 0.000 1.226 34 G CA 0.463 45.708 45.100 0.242 0.000 0.997 34 G HN 0.645 nan 8.290 nan 0.000 0.551 35 S N 0.773 116.573 115.700 0.167 0.000 2.631 35 S HA 0.485 4.956 4.470 0.001 0.000 0.217 35 S C -0.056 174.327 174.600 -0.362 0.000 0.958 35 S CA 0.532 58.677 58.200 -0.091 0.000 0.920 35 S CB -0.232 62.820 63.200 -0.247 0.000 0.776 35 S HN 0.369 nan 8.310 nan 0.000 0.517 36 F N 0.595 120.611 119.950 0.111 0.000 2.577 36 F HA 0.605 5.132 4.527 0.000 0.000 0.318 36 F C -0.097 175.553 175.800 -0.250 0.000 1.065 36 F CA -1.304 56.623 58.000 -0.121 0.000 0.929 36 F CB 1.509 40.318 39.000 -0.318 0.000 1.237 36 F HN -0.162 nan 8.300 nan 0.000 0.468 37 V N -0.670 119.112 119.914 -0.221 0.000 2.960 37 V HA 0.669 4.789 4.120 0.001 0.000 0.315 37 V C -1.762 174.055 176.094 -0.462 0.000 1.087 37 V CA -1.105 61.036 62.300 -0.265 0.000 0.982 37 V CB 1.881 33.589 31.823 -0.192 0.000 1.039 37 V HN 0.653 nan 8.190 nan 0.000 0.437 38 Y N 1.522 121.822 120.300 -0.001 0.000 2.391 38 Y HA 0.611 5.162 4.550 0.001 0.000 0.341 38 Y C 0.139 176.029 175.900 -0.017 0.000 0.965 38 Y CA -0.781 57.318 58.100 -0.001 0.000 1.067 38 Y CB 1.590 40.040 38.460 -0.017 0.000 1.199 38 Y HN 0.978 nan 8.280 nan 0.000 0.450 39 D N 1.064 121.522 120.400 0.096 0.000 2.440 39 D HA 0.281 4.921 4.640 0.001 0.000 0.269 39 D C 1.099 177.417 176.300 0.030 0.000 1.249 39 D CA -0.271 53.754 54.000 0.043 0.000 1.055 39 D CB 0.482 41.298 40.800 0.026 0.000 1.104 39 D HN 0.519 nan 8.370 nan 0.000 0.561 40 A N -0.706 122.104 122.820 -0.017 0.000 2.121 40 A HA -0.115 4.206 4.320 0.001 0.000 0.218 40 A C 1.360 178.937 177.584 -0.011 0.000 1.154 40 A CA 1.151 53.166 52.037 -0.036 0.000 0.679 40 A CB -0.506 18.445 19.000 -0.082 0.000 0.795 40 A HN 0.515 nan 8.150 nan 0.000 0.458 41 D N -1.286 119.119 120.400 0.007 0.000 2.340 41 D HA 0.222 4.862 4.640 0.001 0.000 0.220 41 D C 1.381 177.695 176.300 0.024 0.000 1.039 41 D CA 1.057 55.063 54.000 0.010 0.000 0.866 41 D CB 0.224 41.031 40.800 0.011 0.000 0.913 41 D HN 0.562 nan 8.370 nan 0.000 0.523 42 G N 1.899 110.731 108.800 0.052 0.000 2.157 42 G HA2 -0.320 3.641 3.960 0.001 0.000 0.248 42 G HA3 -0.320 3.641 3.960 0.001 0.000 0.248 42 G C 0.464 175.463 174.900 0.165 0.000 0.979 42 G CA -0.046 45.108 45.100 0.090 0.000 0.650 42 G HN 0.372 nan 8.290 nan 0.000 0.529 43 R N 0.794 121.360 120.500 0.109 0.000 2.401 43 R HA 0.560 4.901 4.340 0.001 0.000 0.299 43 R C 0.800 177.129 176.300 0.048 0.000 1.064 43 R CA 0.382 56.524 56.100 0.070 0.000 1.000 43 R CB 0.226 30.542 30.300 0.026 0.000 0.973 43 R HN 0.612 nan 8.270 nan 0.000 0.438 44 A N 5.900 128.711 122.820 -0.015 0.000 2.363 44 A HA 0.386 4.707 4.320 0.001 0.000 0.270 44 A C -0.216 177.316 177.584 -0.087 0.000 1.121 44 A CA -0.396 51.462 52.037 -0.298 0.000 0.800 44 A CB 0.365 19.138 19.000 -0.377 0.000 1.052 44 A HN 0.780 nan 8.150 nan 0.000 0.493 45 I N 2.781 123.314 120.570 -0.061 0.000 2.447 45 I HA 0.185 4.356 4.170 0.001 0.000 0.287 45 I C -0.679 175.463 176.117 0.042 0.000 1.023 45 I CA -0.801 60.506 61.300 0.012 0.000 1.083 45 I CB 1.809 39.781 38.000 -0.045 0.000 1.245 45 I HN 0.579 nan 8.210 nan 0.000 0.434 46 L N 6.442 127.636 121.223 -0.049 0.000 2.418 46 L HA 0.185 4.525 4.340 0.001 0.000 0.274 46 L C 0.173 176.918 176.870 -0.207 0.000 1.135 46 L CA 0.479 55.077 54.840 -0.403 0.000 0.870 46 L CB 0.191 41.995 42.059 -0.425 0.000 1.154 46 L HN 0.445 nan 8.230 nan 0.000 0.462 47 D N 4.588 124.896 120.400 -0.154 0.000 2.483 47 D HA 0.011 4.651 4.640 0.001 0.000 0.220 47 D C 0.394 176.800 176.300 0.176 0.000 1.173 47 D CA -0.033 53.996 54.000 0.048 0.000 0.964 47 D CB -0.014 40.869 40.800 0.139 0.000 1.046 47 D HN 0.422 nan 8.370 nan 0.000 0.517 48 F N 1.155 121.054 119.950 -0.085 0.000 2.769 48 F HA 0.033 4.560 4.527 0.000 0.000 0.304 48 F C 1.986 177.765 175.800 -0.035 0.000 1.158 48 F CA 0.377 58.334 58.000 -0.072 0.000 1.398 48 F CB -0.160 38.795 39.000 -0.076 0.000 1.094 48 F HN 0.283 nan 8.300 nan 0.000 0.553 49 T N -5.643 108.973 114.554 0.103 0.000 3.111 49 T HA 0.132 4.482 4.350 0.001 0.000 0.284 49 T C 0.745 175.451 174.700 0.010 0.000 0.983 49 T CA 0.289 62.414 62.100 0.042 0.000 0.900 49 T CB -0.296 68.611 68.868 0.065 0.000 1.132 49 T HN -0.088 nan 8.240 nan 0.000 0.531 50 S N 1.256 116.955 115.700 -0.001 0.000 3.559 50 S HA 0.027 4.497 4.470 0.001 0.000 0.369 50 S C 1.498 176.083 174.600 -0.024 0.000 0.987 50 S CA 1.055 59.221 58.200 -0.056 0.000 1.187 50 S CB -1.970 61.177 63.200 -0.089 0.000 0.914 50 S HN 1.919 nan 8.310 nan 0.000 0.480 51 G N 0.902 109.749 108.800 0.077 0.000 2.523 51 G HA2 -0.338 3.622 3.960 0.001 0.000 0.271 51 G HA3 -0.338 3.622 3.960 0.001 0.000 0.271 51 G C -0.206 174.743 174.900 0.081 0.000 1.146 51 G CA 0.568 45.744 45.100 0.128 0.000 0.961 51 G HN 0.907 nan 8.290 nan 0.000 0.549 52 Q N 1.040 120.880 119.800 0.067 0.000 3.135 52 Q HA 0.590 4.931 4.340 0.001 0.000 0.344 52 Q C 1.114 177.129 176.000 0.025 0.000 1.321 52 Q CA 0.323 56.156 55.803 0.049 0.000 1.050 52 Q CB -0.780 27.995 28.738 0.061 0.000 1.498 52 Q HN 0.672 nan 8.270 nan 0.000 0.503 53 M N -0.401 119.206 119.600 0.011 0.000 2.461 53 M HA -0.283 4.197 4.480 0.001 0.000 0.203 53 M C 0.431 176.728 176.300 -0.006 0.000 0.428 53 M CA 1.320 56.617 55.300 -0.005 0.000 0.509 53 M CB -2.891 29.705 32.600 -0.007 0.000 1.851 53 M HN 0.493 nan 8.290 nan 0.000 0.834 54 S N -1.299 114.394 115.700 -0.012 0.000 2.818 54 S HA 0.424 4.895 4.470 0.001 0.000 0.251 54 S C 0.932 175.504 174.600 -0.047 0.000 1.083 54 S CA 0.497 58.687 58.200 -0.016 0.000 0.871 54 S CB 0.451 63.655 63.200 0.007 0.000 0.831 54 S HN 0.672 nan 8.310 nan 0.000 0.470 55 A N 2.985 125.751 122.820 -0.089 0.000 3.026 55 A HA 0.468 4.789 4.320 0.001 0.000 0.272 55 A C 1.434 178.945 177.584 -0.122 0.000 1.782 55 A CA 0.213 52.166 52.037 -0.141 0.000 1.451 55 A CB -0.929 17.880 19.000 -0.319 0.000 1.081 55 A HN 1.024 nan 8.150 nan 0.000 0.611 56 V N 0.074 119.937 119.914 -0.084 0.000 2.594 56 V HA -0.167 3.953 4.120 0.001 0.000 0.253 56 V C 1.438 177.494 176.094 -0.064 0.000 1.069 56 V CA 1.703 63.957 62.300 -0.076 0.000 1.082 56 V CB -0.870 30.911 31.823 -0.070 0.000 0.680 56 V HN 0.648 nan 8.190 nan 0.000 0.469 57 L N 1.194 122.381 121.223 -0.060 0.000 2.653 57 L HA 0.579 4.919 4.340 0.001 0.000 0.231 57 L C 1.276 178.189 176.870 0.071 0.000 1.153 57 L CA 0.332 55.168 54.840 -0.006 0.000 0.933 57 L CB -0.813 41.184 42.059 -0.102 0.000 1.175 57 L HN 0.651 nan 8.230 nan 0.000 0.473 58 G N 0.056 108.837 108.800 -0.031 0.000 2.796 58 G HA2 -0.222 3.739 3.960 0.001 0.000 0.226 58 G HA3 -0.222 3.739 3.960 0.001 0.000 0.226 58 G C -0.459 174.388 174.900 -0.088 0.000 1.381 58 G CA -0.752 44.310 45.100 -0.063 0.000 0.867 58 G HN 0.287 nan 8.290 nan 0.000 0.552 59 H N -0.776 118.355 119.070 0.101 0.000 2.610 59 H HA 0.316 4.873 4.556 0.000 0.000 0.336 59 H C 1.386 176.787 175.328 0.121 0.000 1.087 59 H CA 0.665 56.778 56.048 0.108 0.000 1.405 59 H CB 0.607 30.438 29.762 0.116 0.000 1.460 59 H HN 1.244 nan 8.280 nan 0.000 0.538 60 C N 3.044 122.485 119.300 0.234 0.000 3.899 60 C HA -0.191 4.269 4.460 0.001 0.000 0.297 60 C C 1.129 176.218 174.990 0.165 0.000 1.371 60 C CA 0.205 59.328 59.018 0.175 0.000 2.088 60 C CB -3.032 24.799 27.740 0.153 0.000 1.346 60 C HN 0.772 nan 8.230 nan 0.000 0.658 61 H N 3.022 122.134 119.070 0.071 0.000 2.886 61 H HA 0.088 4.644 4.556 0.000 0.000 0.329 61 H C -0.632 174.726 175.328 0.050 0.000 1.044 61 H CA -0.450 55.631 56.048 0.054 0.000 1.456 61 H CB 1.209 30.991 29.762 0.034 0.000 1.464 61 H HN 0.288 nan 8.280 nan 0.000 0.573 62 P HA -0.175 nan 4.420 nan 0.000 0.218 62 P C 0.713 178.121 177.300 0.180 0.000 1.146 62 P CA 1.352 64.494 63.100 0.071 0.000 0.813 62 P CB 0.341 32.023 31.700 -0.029 0.000 0.778 63 E N -0.901 119.529 120.200 0.385 0.000 2.216 63 E HA -0.047 4.303 4.350 0.001 0.000 0.192 63 E C 2.009 178.698 176.600 0.148 0.000 0.988 63 E CA 0.476 57.017 56.400 0.236 0.000 0.834 63 E CB -0.166 29.667 29.700 0.223 0.000 0.772 63 E HN 0.236 nan 8.360 nan 0.000 0.479 64 I N 0.671 121.339 120.570 0.164 0.000 2.406 64 I HA -0.152 4.018 4.170 0.001 0.000 0.249 64 I C 2.401 178.576 176.117 0.098 0.000 1.122 64 I CA 0.742 62.095 61.300 0.088 0.000 1.431 64 I CB -0.940 37.102 38.000 0.071 0.000 1.087 64 I HN -0.033 nan 8.210 nan 0.000 0.424 65 V N 0.551 120.534 119.914 0.114 0.000 2.332 65 V HA -0.290 3.830 4.120 0.001 0.000 0.248 65 V C 2.797 178.941 176.094 0.084 0.000 1.055 65 V CA 2.217 64.571 62.300 0.090 0.000 1.038 65 V CB -0.766 31.107 31.823 0.082 0.000 0.651 65 V HN 0.441 nan 8.190 nan 0.000 0.450 66 S N -0.829 114.925 115.700 0.090 0.000 2.356 66 S HA -0.175 4.295 4.470 0.001 0.000 0.223 66 S C 2.042 176.704 174.600 0.103 0.000 1.032 66 S CA 1.920 60.170 58.200 0.083 0.000 1.005 66 S CB -0.197 63.052 63.200 0.081 0.000 0.867 66 S HN 0.332 nan 8.310 nan 0.000 0.449 67 V N 1.387 121.375 119.914 0.123 0.000 2.427 67 V HA -0.012 4.108 4.120 0.001 0.000 0.248 67 V C 2.090 178.317 176.094 0.221 0.000 1.051 67 V CA 1.680 64.094 62.300 0.189 0.000 1.048 67 V CB -0.442 31.463 31.823 0.136 0.000 0.666 67 V HN 0.605 nan 8.190 nan 0.000 0.456 68 I N 0.407 121.059 120.570 0.137 0.000 2.179 68 I HA -0.135 4.035 4.170 0.001 0.000 0.242 68 I C 2.539 178.730 176.117 0.123 0.000 1.088 68 I CA 1.683 63.057 61.300 0.123 0.000 1.357 68 I CB -0.937 37.112 38.000 0.082 0.000 1.051 68 I HN 0.450 nan 8.210 nan 0.000 0.409 69 G N 0.005 108.861 108.800 0.092 0.000 2.422 69 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 69 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 69 G C 1.517 176.446 174.900 0.048 0.000 1.146 69 G CA 0.742 45.880 45.100 0.063 0.000 0.769 69 G HN 0.454 nan 8.290 nan 0.000 0.547 70 E N -0.545 119.686 120.200 0.050 0.000 2.038 70 E HA -0.185 4.166 4.350 0.001 0.000 0.195 70 E C 2.097 178.607 176.600 -0.149 0.000 1.000 70 E CA 1.018 57.388 56.400 -0.050 0.000 0.803 70 E CB -0.258 29.410 29.700 -0.053 0.000 0.750 70 E HN 0.577 nan 8.360 nan 0.000 0.448 71 Y N -0.103 120.212 120.300 0.025 0.000 2.395 71 Y HA 0.044 4.595 4.550 0.002 0.000 0.293 71 Y C 2.269 178.189 175.900 0.032 0.000 1.123 71 Y CA 0.778 58.895 58.100 0.028 0.000 1.227 71 Y CB -0.164 38.312 38.460 0.028 0.000 1.012 71 Y HN 0.184 nan 8.280 nan 0.000 0.552 72 A N -0.122 122.784 122.820 0.144 0.000 1.933 72 A HA -0.129 4.192 4.320 0.001 0.000 0.218 72 A C 2.407 180.025 177.584 0.057 0.000 1.175 72 A CA 1.834 53.929 52.037 0.096 0.000 0.628 72 A CB -1.241 17.803 19.000 0.073 0.000 0.814 72 A HN 0.441 nan 8.150 nan 0.000 0.444 73 G N -1.576 107.237 108.800 0.023 0.000 3.042 73 G HA2 0.123 4.084 3.960 0.001 0.000 0.212 73 G HA3 0.123 4.084 3.960 0.001 0.000 0.212 73 G C 1.290 176.178 174.900 -0.021 0.000 1.166 73 G CA 0.856 45.957 45.100 0.001 0.000 0.767 73 G HN 0.550 nan 8.290 nan 0.000 0.546 74 K N -0.897 119.476 120.400 -0.045 0.000 2.424 74 K HA 0.377 4.698 4.320 0.001 0.000 0.200 74 K C -0.252 176.341 176.600 -0.012 0.000 1.279 74 K CA -0.105 56.138 56.287 -0.073 0.000 0.918 74 K CB 0.634 33.008 32.500 -0.210 0.000 1.287 74 K HN 0.121 nan 8.250 nan 0.000 0.502 75 L N 2.740 123.999 121.223 0.059 0.000 2.680 75 L HA 0.174 4.514 4.340 0.001 0.000 0.260 75 L C -1.182 175.809 176.870 0.202 0.000 0.975 75 L CA -0.290 54.634 54.840 0.140 0.000 0.920 75 L CB 1.638 43.823 42.059 0.210 0.000 1.234 75 L HN 0.309 nan 8.230 nan 0.000 0.429 76 D N 1.317 121.811 120.400 0.157 0.000 2.943 76 D HA 0.061 4.701 4.640 0.001 0.000 0.282 76 D C 0.336 176.760 176.300 0.206 0.000 1.148 76 D CA 0.639 54.744 54.000 0.176 0.000 1.006 76 D CB 0.382 41.275 40.800 0.156 0.000 1.168 76 D HN 0.500 nan 8.370 nan 0.000 0.450 77 H N -0.836 118.292 119.070 0.097 0.000 2.806 77 H HA 0.695 5.251 4.556 0.000 0.000 0.367 77 H C -1.555 173.828 175.328 0.091 0.000 1.136 77 H CA -0.802 55.307 56.048 0.102 0.000 1.178 77 H CB 1.411 31.243 29.762 0.116 0.000 1.718 77 H HN 0.031 nan 8.280 nan 0.000 0.540 78 L N 3.230 124.069 121.223 -0.640 0.000 2.409 78 L HA 0.340 4.681 4.340 0.001 0.000 0.255 78 L C -0.615 176.018 176.870 -0.394 0.000 1.027 78 L CA -1.347 53.268 54.840 -0.375 0.000 0.834 78 L CB 1.722 43.712 42.059 -0.115 0.000 1.426 78 L HN 0.543 nan 8.230 nan 0.000 0.411 79 F N 0.489 120.297 119.950 -0.237 0.000 2.607 79 F HA -0.019 4.508 4.527 0.000 0.000 0.374 79 F C 1.376 177.106 175.800 -0.117 0.000 1.104 79 F CA 0.314 58.248 58.000 -0.109 0.000 1.296 79 F CB 0.971 39.958 39.000 -0.022 0.000 1.085 79 F HN 0.460 nan 8.300 nan 0.000 0.584 80 S N 2.814 118.075 115.700 -0.730 0.000 2.537 80 S HA -0.131 4.340 4.470 0.001 0.000 0.240 80 S C 1.361 175.661 174.600 -0.499 0.000 0.981 80 S CA 1.035 58.827 58.200 -0.681 0.000 0.948 80 S CB -0.342 62.176 63.200 -1.135 0.000 0.759 80 S HN 0.669 nan 8.310 nan 0.000 0.531 81 E N 0.405 120.310 120.200 -0.491 0.000 2.474 81 E HA 0.260 4.611 4.350 0.001 0.000 0.195 81 E C 0.066 176.727 176.600 0.101 0.000 1.039 81 E CA 0.161 56.533 56.400 -0.045 0.000 0.881 81 E CB 0.153 30.003 29.700 0.250 0.000 0.970 81 E HN 0.465 nan 8.360 nan 0.000 0.486 82 M N 1.185 120.845 119.600 0.099 0.000 2.113 82 M HA 0.303 4.783 4.480 0.001 0.000 0.352 82 M C -0.596 175.720 176.300 0.025 0.000 1.170 82 M CA -0.322 55.036 55.300 0.096 0.000 1.053 82 M CB 1.190 33.867 32.600 0.128 0.000 1.601 82 M HN -0.111 nan 8.290 nan 0.000 0.459 83 L N 2.170 123.409 121.223 0.027 0.000 2.399 83 L HA 0.647 4.987 4.340 0.001 0.000 0.265 83 L C 0.308 177.190 176.870 0.020 0.000 1.089 83 L CA -0.352 54.494 54.840 0.011 0.000 0.802 83 L CB 1.680 43.745 42.059 0.011 0.000 1.180 83 L HN 0.792 nan 8.230 nan 0.000 0.454 84 S N -0.080 115.629 115.700 0.017 0.000 2.638 84 S HA 0.463 4.933 4.470 0.001 0.000 0.274 84 S C 0.271 174.888 174.600 0.028 0.000 1.157 84 S CA -1.031 57.188 58.200 0.032 0.000 0.826 84 S CB 1.931 65.158 63.200 0.044 0.000 1.139 84 S HN 0.567 nan 8.310 nan 0.000 0.474 85 R N 0.271 120.798 120.500 0.045 0.000 2.092 85 R HA 0.041 4.382 4.340 0.001 0.000 0.231 85 R C -1.091 175.218 176.300 0.015 0.000 1.119 85 R CA 1.392 57.515 56.100 0.037 0.000 0.970 85 R CB -1.549 28.785 30.300 0.057 0.000 0.864 85 R HN 0.507 nan 8.270 nan 0.000 0.440 86 P HA -0.112 nan 4.420 nan 0.000 0.217 86 P C 1.328 178.591 177.300 -0.060 0.000 1.150 86 P CA 1.017 64.070 63.100 -0.077 0.000 0.832 86 P CB 0.123 31.707 31.700 -0.194 0.000 0.787 87 V N -0.684 119.208 119.914 -0.038 0.000 2.283 87 V HA -0.167 3.953 4.120 0.001 0.000 0.243 87 V C 2.405 178.486 176.094 -0.022 0.000 1.039 87 V CA 1.652 63.933 62.300 -0.031 0.000 1.016 87 V CB -1.131 30.677 31.823 -0.025 0.000 0.650 87 V HN -0.055 nan 8.190 nan 0.000 0.449 88 V N 0.269 120.175 119.914 -0.013 0.000 2.407 88 V HA -0.237 3.884 4.120 0.001 0.000 0.248 88 V C 2.271 178.359 176.094 -0.009 0.000 1.055 88 V CA 2.096 64.391 62.300 -0.009 0.000 1.049 88 V CB -0.686 31.136 31.823 -0.002 0.000 0.662 88 V HN 0.562 nan 8.190 nan 0.000 0.455 89 D N -0.209 120.185 120.400 -0.009 0.000 2.117 89 D HA -0.131 4.509 4.640 0.001 0.000 0.197 89 D C 2.101 178.394 176.300 -0.012 0.000 0.987 89 D CA 1.036 55.032 54.000 -0.007 0.000 0.829 89 D CB -0.201 40.596 40.800 -0.005 0.000 0.961 89 D HN 0.299 nan 8.370 nan 0.000 0.460 90 L N 0.536 121.746 121.223 -0.023 0.000 2.056 90 L HA -0.128 4.212 4.340 0.001 0.000 0.207 90 L C 2.227 179.090 176.870 -0.012 0.000 1.078 90 L CA 1.185 56.013 54.840 -0.020 0.000 0.749 90 L CB -0.257 41.782 42.059 -0.033 0.000 0.901 90 L HN -0.043 nan 8.230 nan 0.000 0.433 91 A N -0.841 121.969 122.820 -0.017 0.000 1.902 91 A HA -0.201 4.120 4.320 0.001 0.000 0.217 91 A C 2.190 179.766 177.584 -0.014 0.000 1.181 91 A CA 2.263 54.289 52.037 -0.018 0.000 0.623 91 A CB -0.850 18.137 19.000 -0.021 0.000 0.818 91 A HN 0.457 nan 8.150 nan 0.000 0.443 92 T N -0.775 113.773 114.554 -0.010 0.000 2.777 92 T HA -0.108 4.242 4.350 0.001 0.000 0.266 92 T C 2.107 176.808 174.700 0.002 0.000 1.040 92 T CA 1.610 63.707 62.100 -0.006 0.000 1.141 92 T CB -0.206 68.660 68.868 -0.003 0.000 0.868 92 T HN 0.512 nan 8.240 nan 0.000 0.444 93 R N 1.208 121.712 120.500 0.007 0.000 2.091 93 R HA 0.048 4.388 4.340 0.001 0.000 0.238 93 R C 2.220 178.541 176.300 0.035 0.000 1.136 93 R CA 1.397 57.508 56.100 0.019 0.000 0.959 93 R CB -0.984 29.327 30.300 0.018 0.000 0.856 93 R HN 0.376 nan 8.270 nan 0.000 0.437 94 L N -0.234 121.006 121.223 0.028 0.000 2.083 94 L HA -0.127 4.213 4.340 0.001 0.000 0.209 94 L C 2.506 179.377 176.870 0.001 0.000 1.083 94 L CA 1.376 56.235 54.840 0.031 0.000 0.752 94 L CB -0.668 41.390 42.059 -0.003 0.000 0.899 94 L HN 0.371 nan 8.230 nan 0.000 0.433 95 A N 0.305 123.118 122.820 -0.012 0.000 1.877 95 A HA -0.206 4.115 4.320 0.001 0.000 0.216 95 A C 2.016 179.600 177.584 -0.001 0.000 1.186 95 A CA 1.885 53.909 52.037 -0.022 0.000 0.620 95 A CB -0.537 18.449 19.000 -0.022 0.000 0.822 95 A HN 0.439 nan 8.150 nan 0.000 0.443 96 N N 0.275 118.984 118.700 0.015 0.000 2.309 96 N HA -0.099 4.641 4.740 0.001 0.000 0.182 96 N C 1.567 177.109 175.510 0.054 0.000 1.018 96 N CA 1.703 54.769 53.050 0.027 0.000 0.876 96 N CB -0.431 38.069 38.487 0.022 0.000 0.972 96 N HN 0.813 nan 8.380 nan 0.000 0.434 97 I N -1.807 118.819 120.570 0.094 0.000 3.860 97 I HA 0.155 4.326 4.170 0.001 0.000 0.319 97 I C 0.266 176.556 176.117 0.287 0.000 1.279 97 I CA -0.096 61.304 61.300 0.166 0.000 1.220 97 I CB -0.159 37.949 38.000 0.180 0.000 1.027 97 I HN -0.173 nan 8.210 nan 0.000 0.428 98 T N -0.548 114.092 114.554 0.144 0.000 2.902 98 T HA 0.532 4.882 4.350 0.001 0.000 0.280 98 T C -2.468 172.248 174.700 0.026 0.000 0.992 98 T CA -1.776 60.332 62.100 0.012 0.000 1.015 98 T CB 0.846 69.564 68.868 -0.249 0.000 1.044 98 T HN -0.107 nan 8.240 nan 0.000 0.520 99 P HA 0.233 nan 4.420 nan 0.000 0.269 99 P C -2.476 174.817 177.300 -0.011 0.000 1.217 99 P CA -0.996 62.112 63.100 0.013 0.000 0.783 99 P CB -0.741 30.963 31.700 0.007 0.000 0.898 100 P HA 0.094 nan 4.420 nan 0.000 0.266 100 P C 0.888 178.175 177.300 -0.022 0.000 1.195 100 P CA 1.211 64.305 63.100 -0.011 0.000 0.768 100 P CB 0.135 31.832 31.700 -0.005 0.000 0.838 101 G N 1.423 110.206 108.800 -0.028 0.000 2.195 101 G HA2 -0.192 3.768 3.960 0.001 0.000 0.224 101 G HA3 -0.192 3.768 3.960 0.001 0.000 0.224 101 G C -0.275 174.594 174.900 -0.050 0.000 0.990 101 G CA -0.435 44.644 45.100 -0.036 0.000 0.639 101 G HN 0.458 nan 8.290 nan 0.000 0.514 102 L N 1.432 122.620 121.223 -0.058 0.000 2.318 102 L HA 0.529 4.869 4.340 0.001 0.000 0.277 102 L C -0.031 176.799 176.870 -0.068 0.000 1.008 102 L CA -0.771 54.021 54.840 -0.081 0.000 0.846 102 L CB 1.456 43.445 42.059 -0.118 0.000 1.220 102 L HN 0.030 nan 8.230 nan 0.000 0.423 103 D N 1.593 121.955 120.400 -0.063 0.000 2.469 103 D HA 0.163 4.803 4.640 0.001 0.000 0.240 103 D C 0.451 176.720 176.300 -0.051 0.000 1.087 103 D CA 0.249 54.219 54.000 -0.050 0.000 0.876 103 D CB 1.127 41.902 40.800 -0.043 0.000 1.160 103 D HN 0.388 nan 8.370 nan 0.000 0.497 104 R N 0.639 121.102 120.500 -0.063 0.000 2.621 104 R HA 0.744 5.084 4.340 0.001 0.000 0.292 104 R C -0.912 175.346 176.300 -0.069 0.000 0.969 104 R CA -0.563 55.501 56.100 -0.060 0.000 0.887 104 R CB 2.717 32.980 30.300 -0.063 0.000 1.180 104 R HN -0.081 nan 8.270 nan 0.000 0.450 105 A N 2.484 125.271 122.820 -0.056 0.000 2.356 105 A HA 0.717 5.038 4.320 0.001 0.000 0.323 105 A C -1.535 176.024 177.584 -0.042 0.000 1.119 105 A CA -0.649 51.353 52.037 -0.057 0.000 0.790 105 A CB 1.492 20.463 19.000 -0.048 0.000 1.273 105 A HN 0.513 nan 8.150 nan 0.000 0.452 106 L N 1.546 122.743 121.223 -0.043 0.000 2.381 106 L HA 0.630 4.971 4.340 0.001 0.000 0.274 106 L C -1.405 175.453 176.870 -0.021 0.000 0.988 106 L CA -0.227 54.602 54.840 -0.018 0.000 0.824 106 L CB 1.372 43.420 42.059 -0.017 0.000 1.263 106 L HN 0.591 nan 8.230 nan 0.000 0.410 107 L N 6.632 127.852 121.223 -0.005 0.000 2.262 107 L HA 0.503 4.844 4.340 0.001 0.000 0.288 107 L C -0.289 176.596 176.870 0.026 0.000 1.035 107 L CA -0.249 54.591 54.840 0.000 0.000 0.820 107 L CB 0.993 43.048 42.059 -0.007 0.000 1.204 107 L HN 0.646 nan 8.230 nan 0.000 0.424 108 L N 0.970 122.214 121.223 0.035 0.000 2.535 108 L HA 0.558 4.898 4.340 0.001 0.000 0.259 108 L C 0.860 177.774 176.870 0.073 0.000 1.263 108 L CA -0.352 54.533 54.840 0.076 0.000 1.282 108 L CB 1.368 43.474 42.059 0.078 0.000 1.901 108 L HN 0.481 nan 8.230 nan 0.000 0.572 109 S N -2.011 113.743 115.700 0.090 0.000 2.741 109 S HA 0.107 4.577 4.470 0.001 0.000 0.245 109 S C 0.259 174.890 174.600 0.052 0.000 1.083 109 S CA 0.245 58.483 58.200 0.063 0.000 0.873 109 S CB 0.809 64.056 63.200 0.078 0.000 0.814 109 S HN 0.803 nan 8.310 nan 0.000 0.476 110 T N -1.302 113.293 114.554 0.068 0.000 2.907 110 T HA 0.663 5.013 4.350 0.001 0.000 0.290 110 T C 1.230 175.966 174.700 0.060 0.000 1.066 110 T CA -0.059 62.078 62.100 0.061 0.000 1.012 110 T CB 1.450 70.358 68.868 0.065 0.000 1.184 110 T HN 0.028 nan 8.240 nan 0.000 0.522 111 G N 0.225 109.065 108.800 0.067 0.000 2.404 111 G HA2 0.093 4.053 3.960 0.001 0.000 0.215 111 G HA3 0.093 4.053 3.960 0.001 0.000 0.215 111 G C 1.724 176.654 174.900 0.050 0.000 1.174 111 G CA 0.799 45.940 45.100 0.067 0.000 0.780 111 G HN 1.143 nan 8.290 nan 0.000 0.537 112 A N 0.654 123.502 122.820 0.046 0.000 1.908 112 A HA -0.082 4.239 4.320 0.001 0.000 0.218 112 A C 2.140 179.745 177.584 0.035 0.000 1.181 112 A CA 2.081 54.126 52.037 0.013 0.000 0.627 112 A CB -0.493 18.504 19.000 -0.005 0.000 0.818 112 A HN 0.468 nan 8.150 nan 0.000 0.445 113 E N 0.210 120.451 120.200 0.069 0.000 2.077 113 E HA -0.189 4.162 4.350 0.001 0.000 0.193 113 E C 2.299 178.908 176.600 0.015 0.000 0.989 113 E CA 1.593 58.068 56.400 0.125 0.000 0.800 113 E CB -0.102 29.694 29.700 0.160 0.000 0.746 113 E HN 0.786 nan 8.360 nan 0.000 0.452 114 S N 0.684 116.371 115.700 -0.022 0.000 2.368 114 S HA -0.133 4.338 4.470 0.001 0.000 0.225 114 S C 1.713 176.241 174.600 -0.120 0.000 1.030 114 S CA 1.103 59.243 58.200 -0.099 0.000 0.999 114 S CB -0.357 62.816 63.200 -0.045 0.000 0.844 114 S HN 0.220 nan 8.310 nan 0.000 0.459 115 N N 1.756 120.420 118.700 -0.061 0.000 2.188 115 N HA -0.033 4.708 4.740 0.001 0.000 0.184 115 N C 1.763 177.226 175.510 -0.078 0.000 1.018 115 N CA 1.305 54.310 53.050 -0.074 0.000 0.858 115 N CB -0.419 38.035 38.487 -0.055 0.000 0.989 115 N HN 0.560 nan 8.380 nan 0.000 0.426 116 E N 1.077 121.256 120.200 -0.034 0.000 2.077 116 E HA -0.097 4.253 4.350 0.001 0.000 0.193 116 E C 1.867 178.456 176.600 -0.019 0.000 0.989 116 E CA 0.874 57.301 56.400 0.046 0.000 0.800 116 E CB -0.158 29.665 29.700 0.205 0.000 0.746 116 E HN 0.330 nan 8.360 nan 0.000 0.452 117 A N 1.517 124.101 122.820 -0.394 0.000 1.898 117 A HA -0.040 4.280 4.320 0.001 0.000 0.216 117 A C 2.418 179.889 177.584 -0.187 0.000 1.181 117 A CA 1.802 53.412 52.037 -0.711 0.000 0.620 117 A CB -0.457 17.815 19.000 -1.214 0.000 0.819 117 A HN 0.268 nan 8.150 nan 0.000 0.442 118 A N -0.033 122.684 122.820 -0.172 0.000 1.873 118 A HA -0.043 4.277 4.320 0.001 0.000 0.215 118 A C 2.125 179.677 177.584 -0.054 0.000 1.186 118 A CA 1.456 53.425 52.037 -0.114 0.000 0.616 118 A CB -0.587 18.345 19.000 -0.113 0.000 0.823 118 A HN 0.471 nan 8.150 nan 0.000 0.442 119 I N -0.956 119.590 120.570 -0.040 0.000 2.179 119 I HA -0.260 3.911 4.170 0.001 0.000 0.242 119 I C 2.735 178.885 176.117 0.055 0.000 1.088 119 I CA 1.710 63.005 61.300 -0.010 0.000 1.357 119 I CB -0.305 37.681 38.000 -0.024 0.000 1.051 119 I HN 0.380 nan 8.210 nan 0.000 0.409 120 R N 0.922 121.492 120.500 0.115 0.000 2.091 120 R HA -0.230 4.111 4.340 0.001 0.000 0.238 120 R C 2.400 178.859 176.300 0.265 0.000 1.136 120 R CA 1.768 57.991 56.100 0.205 0.000 0.959 120 R CB -0.237 30.243 30.300 0.299 0.000 0.856 120 R HN 0.299 nan 8.270 nan 0.000 0.437 121 M N -0.089 119.662 119.600 0.252 0.000 2.132 121 M HA -0.108 4.373 4.480 0.001 0.000 0.263 121 M C 2.107 178.414 176.300 0.011 0.000 1.065 121 M CA 1.949 57.282 55.300 0.055 0.000 1.122 121 M CB -0.065 32.356 32.600 -0.298 0.000 1.365 121 M HN 0.299 nan 8.290 nan 0.000 0.411 122 A N 0.631 123.455 122.820 0.006 0.000 1.902 122 A HA -0.188 4.133 4.320 0.001 0.000 0.217 122 A C 2.044 179.648 177.584 0.033 0.000 1.181 122 A CA 1.917 53.955 52.037 0.002 0.000 0.623 122 A CB -0.572 18.425 19.000 -0.006 0.000 0.818 122 A HN 0.570 nan 8.150 nan 0.000 0.443 123 K N -0.907 119.530 120.400 0.062 0.000 2.057 123 K HA -0.104 4.217 4.320 0.001 0.000 0.207 123 K C 1.933 178.585 176.600 0.086 0.000 1.049 123 K CA 1.370 57.706 56.287 0.081 0.000 0.931 123 K CB -0.362 32.201 32.500 0.106 0.000 0.714 123 K HN 0.396 nan 8.250 nan 0.000 0.440 124 L N 1.085 122.371 121.223 0.104 0.000 2.017 124 L HA -0.145 4.196 4.340 0.001 0.000 0.208 124 L C 2.104 179.015 176.870 0.068 0.000 1.073 124 L CA 1.441 56.345 54.840 0.106 0.000 0.745 124 L CB -0.333 41.832 42.059 0.177 0.000 0.894 124 L HN 0.085 nan 8.230 nan 0.000 0.432 125 V N -3.716 116.224 119.914 0.044 0.000 3.041 125 V HA -0.059 4.062 4.120 0.001 0.000 0.260 125 V C 2.098 178.203 176.094 0.018 0.000 1.105 125 V CA 1.511 63.823 62.300 0.020 0.000 1.125 125 V CB -1.630 30.188 31.823 -0.009 0.000 0.730 125 V HN 0.666 nan 8.190 nan 0.000 0.479 126 T N -3.252 111.316 114.554 0.024 0.000 3.057 126 T HA 0.356 4.706 4.350 0.001 0.000 0.254 126 T C 1.785 176.502 174.700 0.029 0.000 1.094 126 T CA 0.850 62.961 62.100 0.019 0.000 1.088 126 T CB 0.119 68.996 68.868 0.014 0.000 0.934 126 T HN 1.556 nan 8.240 nan 0.000 0.497 127 G N 1.437 110.264 108.800 0.046 0.000 2.153 127 G HA2 -0.246 3.714 3.960 0.001 0.000 0.252 127 G HA3 -0.246 3.714 3.960 0.001 0.000 0.252 127 G C -0.075 174.873 174.900 0.080 0.000 0.994 127 G CA 0.592 45.728 45.100 0.059 0.000 0.698 127 G HN 0.707 nan 8.290 nan 0.000 0.521 128 K N -1.909 118.534 120.400 0.072 0.000 2.349 128 K HA 0.716 5.037 4.320 0.001 0.000 0.243 128 K C 0.403 177.067 176.600 0.107 0.000 1.058 128 K CA -0.573 55.746 56.287 0.053 0.000 0.871 128 K CB 1.119 33.593 32.500 -0.044 0.000 1.337 128 K HN 0.380 nan 8.250 nan 0.000 0.469 129 Y N -1.949 118.372 120.300 0.035 0.000 2.648 129 Y HA 0.388 4.938 4.550 0.001 0.000 0.270 129 Y C -0.455 175.460 175.900 0.024 0.000 1.043 129 Y CA -0.670 57.445 58.100 0.024 0.000 1.238 129 Y CB 0.267 38.734 38.460 0.012 0.000 1.385 129 Y HN 0.359 nan 8.280 nan 0.000 0.569 130 E N 2.738 122.718 120.200 -0.366 0.000 2.338 130 E HA 0.351 4.701 4.350 0.001 0.000 0.272 130 E C -0.683 175.917 176.600 -0.001 0.000 1.029 130 E CA -0.299 56.029 56.400 -0.120 0.000 0.872 130 E CB 1.401 31.069 29.700 -0.053 0.000 1.015 130 E HN 0.155 nan 8.360 nan 0.000 0.417 131 I N 3.147 123.730 120.570 0.021 0.000 2.465 131 I HA 0.281 4.451 4.170 0.001 0.000 0.291 131 I C -0.389 175.704 176.117 -0.041 0.000 1.014 131 I CA -0.804 60.480 61.300 -0.026 0.000 1.093 131 I CB 1.583 39.550 38.000 -0.056 0.000 1.267 131 I HN 0.245 nan 8.210 nan 0.000 0.431 132 V N 4.883 124.685 119.914 -0.187 0.000 2.513 132 V HA 0.909 5.029 4.120 0.001 0.000 0.299 132 V C 0.483 176.023 176.094 -0.922 0.000 1.035 132 V CA -0.371 61.697 62.300 -0.386 0.000 0.889 132 V CB 1.674 33.271 31.823 -0.377 0.000 0.988 132 V HN 0.967 nan 8.190 nan 0.000 0.440 133 G N 1.865 110.246 108.800 -0.698 0.000 3.022 133 G HA2 0.726 4.687 3.960 0.001 0.000 0.284 133 G HA3 0.726 4.687 3.960 0.001 0.000 0.284 133 G C -1.582 173.039 174.900 -0.466 0.000 1.375 133 G CA -0.651 44.036 45.100 -0.687 0.000 0.902 133 G HN 0.290 nan 8.290 nan 0.000 0.538 134 F N 0.354 120.339 119.950 0.059 0.000 2.375 134 F HA 0.517 5.045 4.527 0.001 0.000 0.333 134 F C 1.636 177.452 175.800 0.027 0.000 1.104 134 F CA -0.218 57.845 58.000 0.105 0.000 1.149 134 F CB 1.855 40.968 39.000 0.187 0.000 1.190 134 F HN 0.509 nan 8.300 nan 0.000 0.533 135 A N 1.775 124.708 122.820 0.188 0.000 2.125 135 A HA -0.121 4.199 4.320 0.001 0.000 0.219 135 A C 1.347 179.065 177.584 0.225 0.000 1.156 135 A CA 1.212 53.298 52.037 0.082 0.000 0.671 135 A CB -0.571 18.466 19.000 0.062 0.000 0.794 135 A HN 0.669 nan 8.150 nan 0.000 0.459 136 Q N 0.327 120.254 119.800 0.212 0.000 2.141 136 Q HA 0.182 4.522 4.340 0.001 0.000 0.248 136 Q C 0.054 176.156 176.000 0.169 0.000 0.834 136 Q CA 0.341 56.232 55.803 0.147 0.000 1.096 136 Q CB -0.904 27.838 28.738 0.007 0.000 1.189 136 Q HN 0.529 nan 8.270 nan 0.000 0.471 137 S N 0.130 115.993 115.700 0.272 0.000 2.614 137 S HA 0.464 4.934 4.470 0.001 0.000 0.265 137 S C -0.510 174.149 174.600 0.098 0.000 1.303 137 S CA -0.552 57.752 58.200 0.173 0.000 1.000 137 S CB 1.233 64.577 63.200 0.240 0.000 0.935 137 S HN 0.517 nan 8.310 nan 0.000 0.551 138 W N 2.329 123.425 121.300 -0.340 0.000 2.884 138 W HA 0.357 5.017 4.660 0.000 0.000 0.336 138 W C -1.192 175.039 176.519 -0.480 0.000 1.038 138 W CA -0.473 56.703 57.345 -0.280 0.000 1.247 138 W CB 1.222 30.600 29.460 -0.137 0.000 1.351 138 W HN 0.948 nan 8.180 nan 0.000 0.446 139 H N 3.305 122.076 119.070 -0.499 0.000 3.058 139 H HA 0.327 4.883 4.556 0.001 0.000 0.266 139 H C 0.977 176.014 175.328 -0.485 0.000 1.135 139 H CA 0.793 56.643 56.048 -0.331 0.000 1.174 139 H CB 1.573 31.220 29.762 -0.191 0.000 1.581 139 H HN 0.594 nan 8.280 nan 0.000 0.553 140 G N 0.479 108.691 108.800 -0.980 0.000 2.355 140 G HA2 -0.129 3.831 3.960 0.001 0.000 0.619 140 G HA3 -0.129 3.831 3.960 0.001 0.000 0.619 140 G C 0.312 174.860 174.900 -0.586 0.000 1.337 140 G CA -0.401 44.353 45.100 -0.576 0.000 0.993 140 G HN -0.048 nan 8.290 nan 0.000 0.599 141 M N 0.618 120.069 119.600 -0.247 0.000 2.510 141 M HA 0.131 4.611 4.480 0.001 0.000 0.256 141 M C 1.777 178.013 176.300 -0.107 0.000 1.132 141 M CA 1.448 56.657 55.300 -0.152 0.000 1.105 141 M CB -0.797 31.810 32.600 0.011 0.000 1.375 141 M HN 0.911 nan 8.290 nan 0.000 0.477 142 T N -1.729 112.774 114.554 -0.086 0.000 2.904 142 T HA 0.485 4.835 4.350 0.001 0.000 0.290 142 T C 1.549 176.207 174.700 -0.071 0.000 1.018 142 T CA -0.093 61.976 62.100 -0.051 0.000 1.075 142 T CB 1.548 70.409 68.868 -0.011 0.000 0.986 142 T HN 0.370 nan 8.240 nan 0.000 0.523 143 G N 1.872 110.640 108.800 -0.053 0.000 2.863 143 G HA2 -0.344 3.617 3.960 0.001 0.000 0.248 143 G HA3 -0.344 3.617 3.960 0.001 0.000 0.248 143 G C 1.698 176.555 174.900 -0.072 0.000 1.155 143 G CA 1.697 46.762 45.100 -0.058 0.000 0.752 143 G HN 1.324 nan 8.290 nan 0.000 0.666 144 A N 0.280 123.070 122.820 -0.050 0.000 1.929 144 A HA 0.435 4.756 4.320 0.001 0.000 0.216 144 A C 2.827 180.357 177.584 -0.089 0.000 1.176 144 A CA 2.216 54.220 52.037 -0.056 0.000 0.628 144 A CB -0.654 18.334 19.000 -0.019 0.000 0.816 144 A HN 1.234 nan 8.150 nan 0.000 0.444 145 A N -0.041 122.725 122.820 -0.091 0.000 1.930 145 A HA 0.214 4.535 4.320 0.001 0.000 0.217 145 A C 2.452 179.921 177.584 -0.192 0.000 1.175 145 A CA 1.850 53.816 52.037 -0.118 0.000 0.627 145 A CB -0.870 18.067 19.000 -0.105 0.000 0.815 145 A HN 0.960 nan 8.150 nan 0.000 0.443 146 A N -0.668 122.019 122.820 -0.220 0.000 1.930 146 A HA -0.019 4.301 4.320 0.001 0.000 0.217 146 A C 2.368 179.782 177.584 -0.282 0.000 1.175 146 A CA 1.831 53.696 52.037 -0.286 0.000 0.627 146 A CB -0.754 18.116 19.000 -0.217 0.000 0.815 146 A HN 0.421 nan 8.150 nan 0.000 0.443 147 S N -0.330 115.241 115.700 -0.216 0.000 2.419 147 S HA 0.015 4.486 4.470 0.001 0.000 0.233 147 S C 1.797 176.213 174.600 -0.306 0.000 1.016 147 S CA 1.032 59.095 58.200 -0.228 0.000 0.974 147 S CB -0.209 62.908 63.200 -0.139 0.000 0.786 147 S HN 0.767 nan 8.310 nan 0.000 0.492 148 A N 0.638 123.323 122.820 -0.225 0.000 2.345 148 A HA 0.302 4.623 4.320 0.001 0.000 0.225 148 A C 0.607 178.146 177.584 -0.075 0.000 1.243 148 A CA -0.071 51.911 52.037 -0.091 0.000 0.875 148 A CB 0.117 19.079 19.000 -0.063 0.000 0.929 148 A HN 0.261 nan 8.150 nan 0.000 0.502 149 T N -0.120 114.208 114.554 -0.377 0.000 2.743 149 T HA 0.419 4.769 4.350 0.001 0.000 0.292 149 T C -0.091 174.322 174.700 -0.478 0.000 0.972 149 T CA 0.080 61.992 62.100 -0.312 0.000 0.967 149 T CB 0.269 68.867 68.868 -0.450 0.000 0.926 149 T HN 0.353 nan 8.240 nan 0.000 0.459 150 Y N 0.795 121.133 120.300 0.062 0.000 2.444 150 Y HA 0.095 4.646 4.550 0.001 0.000 0.249 150 Y C 2.579 178.545 175.900 0.110 0.000 1.134 150 Y CA -0.293 57.856 58.100 0.082 0.000 1.261 150 Y CB 0.293 38.806 38.460 0.088 0.000 1.143 150 Y HN 0.665 nan 8.280 nan 0.000 0.523 151 S N -0.103 115.746 115.700 0.247 0.000 2.453 151 S HA 0.387 4.857 4.470 0.001 0.000 0.231 151 S C 0.884 175.593 174.600 0.182 0.000 1.005 151 S CA 0.451 58.773 58.200 0.204 0.000 0.949 151 S CB -0.031 63.286 63.200 0.195 0.000 0.774 151 S HN 0.231 nan 8.310 nan 0.000 0.510 152 A N -1.435 121.522 122.820 0.228 0.000 2.540 152 A HA 0.639 4.959 4.320 0.001 0.000 0.291 152 A C 0.677 178.372 177.584 0.184 0.000 1.083 152 A CA -0.196 51.960 52.037 0.198 0.000 0.650 152 A CB -0.205 18.920 19.000 0.208 0.000 1.292 152 A HN 1.460 nan 8.150 nan 0.000 0.435 153 G N -0.539 108.342 108.800 0.135 0.000 2.162 153 G HA2 -0.263 3.697 3.960 0.001 0.000 0.260 153 G HA3 -0.263 3.697 3.960 0.001 0.000 0.260 153 G C 0.692 175.600 174.900 0.014 0.000 0.976 153 G CA 0.962 46.115 45.100 0.089 0.000 0.655 153 G HN 0.934 nan 8.290 nan 0.000 0.533 154 R N -0.234 120.266 120.500 -0.000 0.000 2.276 154 R HA 0.145 4.485 4.340 0.001 0.000 0.196 154 R C 1.009 177.303 176.300 -0.008 0.000 0.961 154 R CA 0.448 56.528 56.100 -0.034 0.000 1.024 154 R CB 0.202 30.478 30.300 -0.041 0.000 0.940 154 R HN 0.319 nan 8.270 nan 0.000 0.480 155 K N -0.170 120.236 120.400 0.011 0.000 2.098 155 K HA 0.313 4.633 4.320 0.001 0.000 0.258 155 K C 0.652 177.258 176.600 0.011 0.000 0.973 155 K CA 0.172 56.467 56.287 0.013 0.000 0.898 155 K CB 1.562 34.075 32.500 0.022 0.000 1.057 155 K HN 0.118 nan 8.250 nan 0.000 0.447 156 G N 0.007 108.812 108.800 0.008 0.000 2.184 156 G HA2 -0.278 3.682 3.960 0.001 0.000 0.264 156 G HA3 -0.278 3.682 3.960 0.001 0.000 0.264 156 G C 0.384 175.286 174.900 0.004 0.000 0.975 156 G CA 0.587 45.692 45.100 0.008 0.000 0.642 156 G HN 0.553 nan 8.290 nan 0.000 0.536 157 V N -2.637 117.276 119.914 -0.001 0.000 2.988 157 V HA 0.714 4.834 4.120 0.001 0.000 0.356 157 V C 1.198 177.284 176.094 -0.014 0.000 1.380 157 V CA 0.373 62.670 62.300 -0.006 0.000 1.184 157 V CB -0.217 31.601 31.823 -0.007 0.000 1.204 157 V HN 2.242 nan 8.190 nan 0.000 0.530 158 G N 1.457 110.249 108.800 -0.012 0.000 2.782 158 G HA2 -0.121 3.840 3.960 0.001 0.000 0.228 158 G HA3 -0.121 3.840 3.960 0.001 0.000 0.228 158 G C -2.154 172.732 174.900 -0.024 0.000 1.372 158 G CA -0.362 44.728 45.100 -0.016 0.000 0.862 158 G HN 0.621 nan 8.290 nan 0.000 0.547 159 P HA 0.501 nan 4.420 nan 0.000 0.267 159 P C 0.528 177.799 177.300 -0.048 0.000 1.200 159 P CA 0.595 63.675 63.100 -0.034 0.000 0.772 159 P CB 0.546 32.226 31.700 -0.034 0.000 0.855 160 A N 2.403 125.188 122.820 -0.058 0.000 2.267 160 A HA 0.591 4.911 4.320 0.001 0.000 0.271 160 A C 0.321 177.860 177.584 -0.075 0.000 1.131 160 A CA -0.110 51.879 52.037 -0.079 0.000 0.818 160 A CB -0.360 18.581 19.000 -0.099 0.000 1.118 160 A HN 0.635 nan 8.150 nan 0.000 0.501 161 A N -0.325 122.448 122.820 -0.079 0.000 2.531 161 A HA 0.437 4.757 4.320 0.001 0.000 0.236 161 A C 0.427 177.969 177.584 -0.069 0.000 1.062 161 A CA -0.204 51.794 52.037 -0.066 0.000 0.760 161 A CB -0.567 18.402 19.000 -0.052 0.000 0.995 161 A HN 1.191 nan 8.150 nan 0.000 0.501 162 V N 2.109 121.985 119.914 -0.064 0.000 2.720 162 V HA 0.327 4.447 4.120 0.001 0.000 0.307 162 V C 1.657 177.771 176.094 0.032 0.000 1.071 162 V CA 1.705 63.974 62.300 -0.053 0.000 1.199 162 V CB -0.002 31.747 31.823 -0.123 0.000 0.900 162 V HN 2.090 nan 8.190 nan 0.000 0.494 163 G N 3.560 112.340 108.800 -0.034 0.000 2.136 163 G HA2 -0.224 3.736 3.960 0.001 0.000 0.242 163 G HA3 -0.224 3.736 3.960 0.001 0.000 0.242 163 G C 0.246 174.874 174.900 -0.454 0.000 0.989 163 G CA 0.200 45.222 45.100 -0.130 0.000 0.682 163 G HN 1.482 nan 8.290 nan 0.000 0.522 164 S N -0.295 115.131 115.700 -0.457 0.000 2.475 164 S HA 0.824 5.294 4.470 0.001 0.000 0.281 164 S C -0.322 173.970 174.600 -0.513 0.000 1.198 164 S CA -0.601 57.410 58.200 -0.315 0.000 1.063 164 S CB 1.015 64.144 63.200 -0.118 0.000 0.972 164 S HN 0.522 nan 8.310 nan 0.000 0.486 165 F N 1.149 121.116 119.950 0.028 0.000 2.603 165 F HA 0.835 5.362 4.527 0.001 0.000 0.317 165 F C 0.333 175.970 175.800 -0.271 0.000 1.066 165 F CA -0.759 57.190 58.000 -0.086 0.000 0.941 165 F CB 2.158 41.071 39.000 -0.145 0.000 1.291 165 F HN 0.917 nan 8.300 nan 0.000 0.472 166 A N 1.831 124.515 122.820 -0.227 0.000 2.454 166 A HA 0.941 5.261 4.320 0.001 0.000 0.302 166 A C -1.165 176.288 177.584 -0.219 0.000 1.079 166 A CA -0.704 51.011 52.037 -0.537 0.000 0.731 166 A CB 1.549 19.790 19.000 -1.265 0.000 1.299 166 A HN 0.802 nan 8.150 nan 0.000 0.413 167 I N -1.657 118.864 120.570 -0.082 0.000 2.892 167 I HA 0.745 4.915 4.170 0.001 0.000 0.306 167 I C -2.954 173.311 176.117 0.246 0.000 1.078 167 I CA -3.080 58.274 61.300 0.091 0.000 1.032 167 I CB 2.298 40.392 38.000 0.156 0.000 1.229 167 I HN 0.233 nan 8.210 nan 0.000 0.435 168 P HA 0.212 nan 4.420 nan 0.000 0.271 168 P C -0.688 176.769 177.300 0.261 0.000 1.216 168 P CA -0.078 63.155 63.100 0.221 0.000 0.776 168 P CB 0.842 32.656 31.700 0.189 0.000 0.881 169 A N 5.320 128.171 122.820 0.051 0.000 2.340 169 A HA 0.498 4.818 4.320 0.001 0.000 0.268 169 A C -2.102 175.357 177.584 -0.209 0.000 1.100 169 A CA -1.515 50.269 52.037 -0.423 0.000 0.803 169 A CB -0.661 17.903 19.000 -0.726 0.000 1.043 169 A HN 0.419 nan 8.150 nan 0.000 0.488 170 P HA 0.207 nan 4.420 nan 0.000 0.276 170 P C -1.283 176.029 177.300 0.019 0.000 1.253 170 P CA 0.284 63.305 63.100 -0.131 0.000 0.766 170 P CB 0.355 31.690 31.700 -0.610 0.000 0.845 171 F N 4.361 124.352 119.950 0.068 0.000 2.810 171 F HA 0.174 4.702 4.527 0.001 0.000 0.373 171 F C 1.266 177.048 175.800 -0.031 0.000 1.174 171 F CA -1.061 56.924 58.000 -0.025 0.000 1.141 171 F CB 0.632 39.597 39.000 -0.058 0.000 1.420 171 F HN 0.252 nan 8.300 nan 0.000 0.518 172 T N 1.443 116.162 114.554 0.274 0.000 2.881 172 T HA -0.233 4.118 4.350 0.001 0.000 0.270 172 T C 1.647 176.296 174.700 -0.086 0.000 1.068 172 T CA 1.491 63.671 62.100 0.134 0.000 1.131 172 T CB -0.645 68.365 68.868 0.238 0.000 0.871 172 T HN 0.558 nan 8.240 nan 0.000 0.479 173 Y N 2.485 122.608 120.300 -0.296 0.000 2.373 173 Y HA 0.270 4.821 4.550 0.001 0.000 0.293 173 Y C 1.336 176.840 175.900 -0.659 0.000 1.129 173 Y CA 0.225 58.075 58.100 -0.416 0.000 1.226 173 Y CB 0.131 38.414 38.460 -0.295 0.000 1.000 173 Y HN 0.109 nan 8.280 nan 0.000 0.549 174 R N 1.389 121.192 120.500 -1.162 0.000 2.835 174 R HA 0.250 4.591 4.340 0.001 0.000 0.290 174 R C -2.715 173.192 176.300 -0.655 0.000 1.410 174 R CA -1.804 53.746 56.100 -0.916 0.000 1.590 174 R CB 0.465 30.221 30.300 -0.906 0.000 1.288 174 R HN 0.104 nan 8.270 nan 0.000 0.637 175 P HA 0.079 nan 4.420 nan 0.000 0.271 175 P C -0.325 176.729 177.300 -0.409 0.000 1.216 175 P CA -0.127 62.431 63.100 -0.904 0.000 0.771 175 P CB 1.095 32.031 31.700 -1.275 0.000 0.864 176 R N 1.300 121.697 120.500 -0.172 0.000 2.566 176 R HA 0.302 4.643 4.340 0.001 0.000 0.388 176 R C -0.541 175.848 176.300 0.148 0.000 0.989 176 R CA -0.181 55.918 56.100 -0.002 0.000 1.164 176 R CB 0.322 30.641 30.300 0.031 0.000 1.459 176 R HN 0.362 nan 8.270 nan 0.000 0.553 177 F N 1.870 121.909 119.950 0.148 0.000 2.610 177 F HA 0.317 4.844 4.527 0.001 0.000 0.355 177 F C -0.478 175.434 175.800 0.187 0.000 1.140 177 F CA -0.784 57.299 58.000 0.138 0.000 1.037 177 F CB 1.082 40.179 39.000 0.161 0.000 1.287 177 F HN -0.150 nan 8.300 nan 0.000 0.457 178 E N 6.061 126.164 120.200 -0.163 0.000 2.214 178 E HA 0.567 4.917 4.350 0.001 0.000 0.274 178 E C -1.007 175.505 176.600 -0.146 0.000 0.977 178 E CA -0.716 55.647 56.400 -0.060 0.000 0.827 178 E CB 1.196 30.854 29.700 -0.070 0.000 1.130 178 E HN 0.609 nan 8.360 nan 0.000 0.394 179 R N 3.043 123.525 120.500 -0.030 0.000 2.522 179 R HA 0.212 4.552 4.340 0.001 0.000 0.283 179 R C -0.878 175.413 176.300 -0.013 0.000 1.074 179 R CA -0.557 55.525 56.100 -0.031 0.000 0.925 179 R CB 1.114 31.426 30.300 0.019 0.000 1.205 179 R HN 0.889 nan 8.270 nan 0.000 0.436 180 N N 1.088 119.775 118.700 -0.021 0.000 2.738 180 N HA -0.236 4.504 4.740 0.001 0.000 0.249 180 N C 0.556 176.061 175.510 -0.008 0.000 1.047 180 N CA 0.519 53.560 53.050 -0.014 0.000 0.707 180 N CB -0.581 37.900 38.487 -0.010 0.000 0.937 180 N HN 1.101 nan 8.380 nan 0.000 0.545 181 G N -1.560 107.233 108.800 -0.013 0.000 2.233 181 G HA2 -0.112 3.848 3.960 0.001 0.000 0.270 181 G HA3 -0.112 3.848 3.960 0.001 0.000 0.270 181 G C 0.143 175.052 174.900 0.015 0.000 1.011 181 G CA 0.828 45.925 45.100 -0.005 0.000 0.762 181 G HN 1.058 nan 8.290 nan 0.000 0.511 182 A N -1.439 121.400 122.820 0.033 0.000 2.566 182 A HA 0.666 4.987 4.320 0.001 0.000 0.292 182 A C -0.628 177.044 177.584 0.147 0.000 1.112 182 A CA -0.716 51.364 52.037 0.072 0.000 0.707 182 A CB 0.992 20.020 19.000 0.048 0.000 1.302 182 A HN 1.267 nan 8.150 nan 0.000 0.409 183 Y N 1.793 122.116 120.300 0.038 0.000 2.584 183 Y HA 0.313 4.864 4.550 0.001 0.000 0.351 183 Y C -0.225 175.723 175.900 0.080 0.000 1.030 183 Y CA -0.575 57.580 58.100 0.091 0.000 1.332 183 Y CB 0.293 38.833 38.460 0.133 0.000 1.148 183 Y HN 0.563 nan 8.280 nan 0.000 0.528 184 D N 6.176 126.562 120.400 -0.024 0.000 2.518 184 D HA -0.000 4.640 4.640 0.001 0.000 0.230 184 D C 0.502 176.604 176.300 -0.330 0.000 1.138 184 D CA -0.352 53.519 54.000 -0.215 0.000 0.964 184 D CB -0.176 40.629 40.800 0.008 0.000 1.011 184 D HN 0.664 nan 8.370 nan 0.000 0.517 185 Y N 1.253 121.191 120.300 -0.604 0.000 2.421 185 Y HA -0.015 4.535 4.550 0.001 0.000 0.292 185 Y C 1.366 177.201 175.900 -0.108 0.000 1.136 185 Y CA 0.094 57.904 58.100 -0.483 0.000 1.255 185 Y CB -0.327 37.817 38.460 -0.527 0.000 0.991 185 Y HN 0.182 nan 8.280 nan 0.000 0.552 186 L N 1.019 122.158 121.223 -0.139 0.000 2.131 186 L HA 0.113 4.453 4.340 0.001 0.000 0.206 186 L C 2.622 179.446 176.870 -0.077 0.000 1.087 186 L CA 1.320 56.129 54.840 -0.051 0.000 0.767 186 L CB -1.488 40.483 42.059 -0.146 0.000 0.917 186 L HN 0.385 nan 8.230 nan 0.000 0.441 187 A N -1.015 121.754 122.820 -0.085 0.000 1.969 187 A HA -0.223 4.097 4.320 0.001 0.000 0.218 187 A C 2.308 179.742 177.584 -0.251 0.000 1.169 187 A CA 1.546 53.573 52.037 -0.017 0.000 0.635 187 A CB -0.479 18.628 19.000 0.180 0.000 0.810 187 A HN 0.487 nan 8.150 nan 0.000 0.445 188 E N -0.461 119.431 120.200 -0.513 0.000 2.110 188 E HA -0.196 4.154 4.350 0.001 0.000 0.193 188 E C 1.872 178.284 176.600 -0.314 0.000 0.988 188 E CA 1.302 57.072 56.400 -1.051 0.000 0.804 188 E CB -0.180 29.177 29.700 -0.573 0.000 0.745 188 E HN 0.485 nan 8.360 nan 0.000 0.458 189 L N 1.415 122.616 121.223 -0.036 0.000 2.056 189 L HA -0.160 4.181 4.340 0.001 0.000 0.207 189 L C 1.543 178.486 176.870 0.121 0.000 1.078 189 L CA 2.003 56.916 54.840 0.122 0.000 0.749 189 L CB -0.416 41.660 42.059 0.027 0.000 0.901 189 L HN 0.053 nan 8.230 nan 0.000 0.433 190 D N -1.301 119.116 120.400 0.029 0.000 2.117 190 D HA -0.260 4.381 4.640 0.001 0.000 0.197 190 D C 2.029 178.406 176.300 0.128 0.000 0.987 190 D CA 1.803 55.838 54.000 0.059 0.000 0.829 190 D CB -0.409 40.407 40.800 0.026 0.000 0.961 190 D HN 0.529 nan 8.370 nan 0.000 0.460 191 Y N 1.572 121.839 120.300 -0.055 0.000 2.181 191 Y HA -0.210 4.340 4.550 0.001 0.000 0.288 191 Y C 2.311 178.216 175.900 0.008 0.000 1.146 191 Y CA 1.938 60.030 58.100 -0.013 0.000 1.164 191 Y CB -0.144 38.267 38.460 -0.082 0.000 0.982 191 Y HN -0.047 nan 8.280 nan 0.000 0.515 192 A N -0.335 122.619 122.820 0.224 0.000 1.902 192 A HA -0.178 4.142 4.320 0.001 0.000 0.217 192 A C 2.048 179.638 177.584 0.010 0.000 1.181 192 A CA 1.632 53.746 52.037 0.128 0.000 0.623 192 A CB -1.410 17.678 19.000 0.146 0.000 0.818 192 A HN 0.554 nan 8.150 nan 0.000 0.443 193 F N 0.467 120.408 119.950 -0.015 0.000 2.293 193 F HA -0.119 4.408 4.527 0.001 0.000 0.300 193 F C 1.909 177.653 175.800 -0.094 0.000 1.086 193 F CA 1.468 59.436 58.000 -0.053 0.000 1.375 193 F CB -0.008 38.958 39.000 -0.056 0.000 1.045 193 F HN 0.216 nan 8.300 nan 0.000 0.516 194 D N -0.173 120.263 120.400 0.060 0.000 2.178 194 D HA -0.143 4.498 4.640 0.001 0.000 0.202 194 D C 2.229 178.462 176.300 -0.111 0.000 0.974 194 D CA 0.817 54.797 54.000 -0.035 0.000 0.841 194 D CB -0.357 40.397 40.800 -0.077 0.000 0.953 194 D HN 0.195 nan 8.370 nan 0.000 0.478 195 L N 0.721 121.846 121.223 -0.163 0.000 2.109 195 L HA -0.080 4.260 4.340 0.001 0.000 0.207 195 L C 1.964 178.704 176.870 -0.217 0.000 1.086 195 L CA 1.076 55.805 54.840 -0.184 0.000 0.760 195 L CB -0.389 41.566 42.059 -0.174 0.000 0.910 195 L HN -0.075 nan 8.230 nan 0.000 0.437 196 I N -0.016 120.390 120.570 -0.273 0.000 2.127 196 I HA -0.288 3.882 4.170 0.001 0.000 0.241 196 I C 2.175 178.070 176.117 -0.370 0.000 1.075 196 I CA 1.400 62.423 61.300 -0.462 0.000 1.334 196 I CB -1.362 36.311 38.000 -0.546 0.000 1.040 196 I HN 0.296 nan 8.210 nan 0.000 0.405 197 D N 0.613 120.904 120.400 -0.181 0.000 2.133 197 D HA -0.184 4.457 4.640 0.001 0.000 0.195 197 D C 2.281 178.507 176.300 -0.123 0.000 0.997 197 D CA 1.031 54.964 54.000 -0.112 0.000 0.840 197 D CB -0.209 40.570 40.800 -0.035 0.000 0.947 197 D HN 0.251 nan 8.370 nan 0.000 0.452 198 R N 0.374 120.799 120.500 -0.125 0.000 2.115 198 R HA 0.004 4.344 4.340 0.001 0.000 0.226 198 R C 2.187 178.430 176.300 -0.096 0.000 1.100 198 R CA 0.638 56.682 56.100 -0.092 0.000 0.980 198 R CB -0.368 29.883 30.300 -0.082 0.000 0.875 198 R HN 0.453 nan 8.270 nan 0.000 0.445 199 Q N 0.212 119.912 119.800 -0.167 0.000 2.269 199 Q HA 0.045 4.385 4.340 0.001 0.000 0.201 199 Q C 0.774 176.718 176.000 -0.093 0.000 0.946 199 Q CA 0.101 55.830 55.803 -0.125 0.000 0.877 199 Q CB 0.198 28.823 28.738 -0.188 0.000 0.963 199 Q HN 0.054 nan 8.270 nan 0.000 0.472 200 S N 0.540 116.106 115.700 -0.224 0.000 2.563 200 S HA -0.010 4.460 4.470 0.001 0.000 0.284 200 S C 1.056 175.658 174.600 0.004 0.000 1.331 200 S CA 0.012 58.147 58.200 -0.108 0.000 1.047 200 S CB 0.813 63.909 63.200 -0.173 0.000 0.859 200 S HN 0.370 nan 8.310 nan 0.000 0.514 201 S N 2.869 118.602 115.700 0.055 0.000 2.631 201 S HA 0.317 4.788 4.470 0.001 0.000 0.217 201 S C 1.271 175.880 174.600 0.014 0.000 0.958 201 S CA 0.291 58.528 58.200 0.060 0.000 0.920 201 S CB -0.452 62.827 63.200 0.133 0.000 0.776 201 S HN 2.007 nan 8.310 nan 0.000 0.517 202 G N 1.635 110.421 108.800 -0.025 0.000 2.142 202 G HA2 -0.199 3.761 3.960 0.001 0.000 0.225 202 G HA3 -0.199 3.761 3.960 0.001 0.000 0.225 202 G C 0.012 174.876 174.900 -0.059 0.000 1.015 202 G CA 0.004 45.085 45.100 -0.031 0.000 0.716 202 G HN 0.532 nan 8.290 nan 0.000 0.508 203 N N 0.169 118.788 118.700 -0.134 0.000 2.553 203 N HA 0.213 4.954 4.740 0.001 0.000 0.298 203 N C 0.380 175.739 175.510 -0.252 0.000 1.596 203 N CA -0.198 52.704 53.050 -0.246 0.000 0.910 203 N CB 0.496 38.653 38.487 -0.550 0.000 1.336 203 N HN 0.385 nan 8.380 nan 0.000 0.497 204 L N 0.964 122.120 121.223 -0.112 0.000 2.418 204 L HA 0.217 4.557 4.340 0.001 0.000 0.274 204 L C 1.469 178.320 176.870 -0.032 0.000 1.135 204 L CA -0.139 54.670 54.840 -0.052 0.000 0.870 204 L CB 0.948 43.014 42.059 0.011 0.000 1.154 204 L HN 0.136 nan 8.230 nan 0.000 0.462 205 A N 3.406 126.209 122.820 -0.028 0.000 1.973 205 A HA 0.679 5.000 4.320 0.001 0.000 0.210 205 A C 0.791 178.387 177.584 0.020 0.000 1.200 205 A CA 0.864 52.899 52.037 -0.004 0.000 0.707 205 A CB 0.263 19.264 19.000 0.000 0.000 0.862 205 A HN 0.742 nan 8.150 nan 0.000 0.461 206 A N -1.897 120.942 122.820 0.031 0.000 2.601 206 A HA 0.583 4.903 4.320 0.001 0.000 0.291 206 A C -1.749 175.882 177.584 0.078 0.000 1.075 206 A CA -0.420 51.650 52.037 0.055 0.000 0.671 206 A CB 0.322 19.329 19.000 0.012 0.000 1.277 206 A HN 0.687 nan 8.150 nan 0.000 0.417 207 F N 0.936 120.881 119.950 -0.008 0.000 2.482 207 F HA 0.767 5.294 4.527 0.001 0.000 0.331 207 F C -0.468 175.282 175.800 -0.083 0.000 1.115 207 F CA -0.890 57.091 58.000 -0.032 0.000 0.955 207 F CB 1.322 40.338 39.000 0.027 0.000 1.136 207 F HN 0.613 nan 8.300 nan 0.000 0.452 208 I N 5.193 125.592 120.570 -0.284 0.000 2.474 208 I HA 0.828 4.999 4.170 0.001 0.000 0.294 208 I C -1.475 174.619 176.117 -0.039 0.000 1.005 208 I CA -0.435 60.769 61.300 -0.159 0.000 1.113 208 I CB 1.345 39.095 38.000 -0.418 0.000 1.289 208 I HN 0.766 nan 8.210 nan 0.000 0.436 209 A N 5.890 128.832 122.820 0.203 0.000 2.574 209 A HA 0.572 4.893 4.320 0.001 0.000 0.297 209 A C -1.381 176.464 177.584 0.435 0.000 1.062 209 A CA -0.649 51.639 52.037 0.418 0.000 0.686 209 A CB 1.423 20.716 19.000 0.489 0.000 1.285 209 A HN 0.734 nan 8.150 nan 0.000 0.403 210 E N 1.979 122.478 120.200 0.498 0.000 2.249 210 E HA 0.337 4.688 4.350 0.001 0.000 0.280 210 E C -1.847 174.918 176.600 0.275 0.000 1.016 210 E CA -1.706 54.889 56.400 0.324 0.000 0.830 210 E CB 1.512 31.355 29.700 0.238 0.000 1.081 210 E HN 0.363 nan 8.360 nan 0.000 0.395 211 P HA -0.042 nan 4.420 nan 0.000 0.219 211 P C -0.258 177.089 177.300 0.078 0.000 1.150 211 P CA 1.112 64.301 63.100 0.148 0.000 0.814 211 P CB 0.407 32.182 31.700 0.125 0.000 0.787 212 I N -0.827 119.779 120.570 0.059 0.000 2.468 212 I HA 0.163 4.333 4.170 0.001 0.000 0.285 212 I C -0.772 175.346 176.117 0.001 0.000 1.039 212 I CA -1.222 60.077 61.300 -0.003 0.000 1.074 212 I CB 2.068 40.063 38.000 -0.008 0.000 1.228 212 I HN -0.337 nan 8.210 nan 0.000 0.436 213 L N 5.362 126.554 121.223 -0.053 0.000 2.456 213 L HA 0.130 4.471 4.340 0.001 0.000 0.277 213 L C 1.294 178.127 176.870 -0.062 0.000 1.124 213 L CA 0.782 55.596 54.840 -0.042 0.000 0.880 213 L CB 0.974 42.962 42.059 -0.119 0.000 1.192 213 L HN 0.653 nan 8.230 nan 0.000 0.463 214 S N 1.194 116.880 115.700 -0.023 0.000 2.339 214 S HA -0.086 4.384 4.470 0.001 0.000 0.213 214 S C 1.973 176.525 174.600 -0.080 0.000 1.033 214 S CA 1.209 59.381 58.200 -0.047 0.000 0.950 214 S CB 0.131 63.316 63.200 -0.024 0.000 0.893 214 S HN 0.719 nan 8.310 nan 0.000 0.492 215 S N 0.850 116.500 115.700 -0.083 0.000 2.383 215 S HA -0.050 4.420 4.470 0.001 0.000 0.229 215 S C 1.848 176.388 174.600 -0.101 0.000 1.030 215 S CA 1.205 59.317 58.200 -0.146 0.000 1.002 215 S CB -0.854 62.228 63.200 -0.196 0.000 0.829 215 S HN 0.700 nan 8.310 nan 0.000 0.467 216 G N -0.034 108.727 108.800 -0.066 0.000 2.776 216 G HA2 0.343 4.303 3.960 0.001 0.000 0.209 216 G HA3 0.343 4.303 3.960 0.001 0.000 0.209 216 G C 0.799 175.595 174.900 -0.173 0.000 1.145 216 G CA 0.445 45.489 45.100 -0.093 0.000 0.791 216 G HN 0.856 nan 8.290 nan 0.000 0.530 217 G N 0.309 109.014 108.800 -0.158 0.000 2.157 217 G HA2 -0.116 3.845 3.960 0.001 0.000 0.118 217 G HA3 -0.116 3.845 3.960 0.001 0.000 0.118 217 G C 0.384 175.186 174.900 -0.163 0.000 1.032 217 G CA -0.383 44.620 45.100 -0.162 0.000 0.697 217 G HN 0.795 nan 8.290 nan 0.000 0.495 218 I N -0.372 120.115 120.570 -0.138 0.000 7.154 218 I HA -0.209 3.961 4.170 0.001 0.000 0.126 218 I C 0.484 176.512 176.117 -0.149 0.000 1.808 218 I CA 0.783 62.018 61.300 -0.108 0.000 2.123 218 I CB -2.000 35.964 38.000 -0.061 0.000 3.552 218 I HN 0.423 nan 8.210 nan 0.000 0.195 219 I N 2.381 122.813 120.570 -0.231 0.000 2.297 219 I HA 0.235 4.406 4.170 0.001 0.000 0.291 219 I C 0.985 176.984 176.117 -0.197 0.000 1.033 219 I CA -0.191 60.929 61.300 -0.301 0.000 1.253 219 I CB 1.310 38.990 38.000 -0.533 0.000 1.396 219 I HN 0.321 nan 8.210 nan 0.000 0.476 220 E N 7.169 127.296 120.200 -0.123 0.000 2.227 220 E HA 0.345 4.696 4.350 0.001 0.000 0.282 220 E C -0.733 175.773 176.600 -0.157 0.000 1.015 220 E CA -0.734 55.606 56.400 -0.101 0.000 0.823 220 E CB 1.084 30.754 29.700 -0.050 0.000 1.081 220 E HN 0.518 nan 8.360 nan 0.000 0.396 221 L N 7.049 128.172 121.223 -0.166 0.000 2.462 221 L HA 0.196 4.536 4.340 0.001 0.000 0.272 221 L C -1.612 175.148 176.870 -0.183 0.000 1.166 221 L CA -1.455 53.230 54.840 -0.258 0.000 0.880 221 L CB 0.005 42.002 42.059 -0.104 0.000 1.142 221 L HN 0.509 nan 8.230 nan 0.000 0.473 222 P HA 0.092 nan 4.420 nan 0.000 0.279 222 P C -0.913 176.341 177.300 -0.077 0.000 1.282 222 P CA -0.692 62.253 63.100 -0.259 0.000 0.788 222 P CB 0.560 31.916 31.700 -0.573 0.000 1.139 223 D N -0.472 119.955 120.400 0.045 0.000 2.586 223 D HA 0.157 4.798 4.640 0.001 0.000 0.234 223 D C 1.615 178.050 176.300 0.226 0.000 1.132 223 D CA 1.922 56.004 54.000 0.137 0.000 0.860 223 D CB -0.452 40.438 40.800 0.150 0.000 1.159 223 D HN 0.741 nan 8.370 nan 0.000 0.490 224 G N 2.084 110.980 108.800 0.161 0.000 2.184 224 G HA2 -0.427 3.533 3.960 0.001 0.000 0.264 224 G HA3 -0.427 3.533 3.960 0.001 0.000 0.264 224 G C 0.847 175.841 174.900 0.157 0.000 0.975 224 G CA 0.714 45.900 45.100 0.144 0.000 0.642 224 G HN 0.586 nan 8.290 nan 0.000 0.536 225 Y N 0.152 120.504 120.300 0.087 0.000 2.153 225 Y HA 0.160 4.711 4.550 0.001 0.000 0.289 225 Y C 2.798 178.714 175.900 0.027 0.000 1.127 225 Y CA 2.634 60.774 58.100 0.066 0.000 1.131 225 Y CB -0.236 38.205 38.460 -0.032 0.000 0.995 225 Y HN 0.286 nan 8.280 nan 0.000 0.505 226 M N 0.673 120.406 119.600 0.220 0.000 2.108 226 M HA -0.162 4.318 4.480 0.001 0.000 0.261 226 M C 2.218 178.501 176.300 -0.029 0.000 1.066 226 M CA 2.165 57.538 55.300 0.122 0.000 1.107 226 M CB -0.797 31.887 32.600 0.139 0.000 1.356 226 M HN 0.318 nan 8.290 nan 0.000 0.406 227 A N -0.395 122.412 122.820 -0.022 0.000 1.902 227 A HA 0.008 4.329 4.320 0.001 0.000 0.217 227 A C 2.364 179.869 177.584 -0.132 0.000 1.181 227 A CA 2.125 54.127 52.037 -0.059 0.000 0.623 227 A CB -1.432 17.551 19.000 -0.029 0.000 0.818 227 A HN 0.655 nan 8.150 nan 0.000 0.443 228 A N -0.600 122.111 122.820 -0.182 0.000 1.898 228 A HA 0.004 4.325 4.320 0.001 0.000 0.216 228 A C 2.120 179.483 177.584 -0.369 0.000 1.181 228 A CA 1.670 53.550 52.037 -0.261 0.000 0.620 228 A CB -0.598 18.230 19.000 -0.287 0.000 0.819 228 A HN 0.687 nan 8.150 nan 0.000 0.442 229 L N -0.061 120.894 121.223 -0.446 0.000 2.017 229 L HA -0.134 4.206 4.340 0.001 0.000 0.208 229 L C 2.256 178.910 176.870 -0.359 0.000 1.073 229 L CA 2.767 57.321 54.840 -0.476 0.000 0.745 229 L CB -0.604 41.206 42.059 -0.415 0.000 0.894 229 L HN 0.345 nan 8.230 nan 0.000 0.432 230 K N -0.228 120.032 120.400 -0.232 0.000 2.097 230 K HA -0.148 4.172 4.320 0.001 0.000 0.206 230 K C 2.211 178.699 176.600 -0.186 0.000 1.049 230 K CA 1.559 57.748 56.287 -0.164 0.000 0.933 230 K CB -0.176 32.264 32.500 -0.099 0.000 0.717 230 K HN 0.323 nan 8.250 nan 0.000 0.442 231 R N 0.068 120.442 120.500 -0.210 0.000 2.115 231 R HA -0.028 4.312 4.340 0.001 0.000 0.230 231 R C 1.955 178.091 176.300 -0.273 0.000 1.111 231 R CA 1.113 57.093 56.100 -0.201 0.000 0.976 231 R CB -0.110 30.083 30.300 -0.179 0.000 0.870 231 R HN 0.066 nan 8.270 nan 0.000 0.445 232 K N 0.468 120.614 120.400 -0.424 0.000 2.057 232 K HA -0.109 4.211 4.320 0.001 0.000 0.207 232 K C 2.149 178.469 176.600 -0.466 0.000 1.049 232 K CA 1.179 57.078 56.287 -0.647 0.000 0.931 232 K CB -0.665 31.028 32.500 -1.344 0.000 0.714 232 K HN 0.230 nan 8.250 nan 0.000 0.440 233 C N 1.345 120.454 119.300 -0.319 0.000 2.453 233 C HA -0.056 4.404 4.460 0.001 0.000 0.277 233 C C 2.593 177.525 174.990 -0.096 0.000 1.262 233 C CA 0.558 59.503 59.018 -0.122 0.000 1.718 233 C CB -0.719 26.991 27.740 -0.050 0.000 2.031 233 C HN 0.546 nan 8.230 nan 0.000 0.480 234 E N 1.204 121.336 120.200 -0.113 0.000 2.085 234 E HA -0.187 4.164 4.350 0.001 0.000 0.194 234 E C 2.271 178.821 176.600 -0.084 0.000 0.994 234 E CA 1.433 57.782 56.400 -0.085 0.000 0.801 234 E CB -0.283 29.366 29.700 -0.086 0.000 0.743 234 E HN 0.678 nan 8.360 nan 0.000 0.453 235 A N 0.920 123.671 122.820 -0.116 0.000 2.121 235 A HA -0.109 4.212 4.320 0.001 0.000 0.218 235 A C 1.821 179.361 177.584 -0.073 0.000 1.154 235 A CA 0.983 52.961 52.037 -0.099 0.000 0.679 235 A CB -0.124 18.799 19.000 -0.128 0.000 0.795 235 A HN 0.057 nan 8.150 nan 0.000 0.458 236 R N -1.785 118.676 120.500 -0.065 0.000 2.397 236 R HA 0.282 4.622 4.340 0.001 0.000 0.241 236 R C 1.028 177.319 176.300 -0.014 0.000 0.914 236 R CA 0.458 56.542 56.100 -0.027 0.000 1.071 236 R CB 0.286 30.591 30.300 0.008 0.000 1.116 236 R HN 0.554 nan 8.270 nan 0.000 0.524 237 G N 1.756 110.543 108.800 -0.023 0.000 2.198 237 G HA2 -0.313 3.648 3.960 0.001 0.000 0.260 237 G HA3 -0.313 3.648 3.960 0.001 0.000 0.260 237 G C 0.067 174.965 174.900 -0.004 0.000 1.025 237 G CA 0.290 45.380 45.100 -0.016 0.000 0.769 237 G HN 0.173 nan 8.290 nan 0.000 0.507 238 M N -0.193 119.410 119.600 0.006 0.000 2.367 238 M HA 0.570 5.051 4.480 0.001 0.000 0.339 238 M C 0.889 177.202 176.300 0.022 0.000 1.177 238 M CA -0.577 54.742 55.300 0.031 0.000 1.068 238 M CB 1.294 33.944 32.600 0.083 0.000 1.602 238 M HN 0.006 nan 8.290 nan 0.000 0.457 239 L N 2.299 123.536 121.223 0.024 0.000 2.399 239 L HA 0.456 4.797 4.340 0.001 0.000 0.266 239 L C -0.650 176.246 176.870 0.043 0.000 1.114 239 L CA -0.887 53.960 54.840 0.013 0.000 0.804 239 L CB 1.113 43.169 42.059 -0.005 0.000 1.146 239 L HN 0.519 nan 8.230 nan 0.000 0.451 240 L N 3.467 124.708 121.223 0.030 0.000 2.287 240 L HA 0.502 4.843 4.340 0.001 0.000 0.287 240 L C -0.567 176.325 176.870 0.037 0.000 1.022 240 L CA 0.184 55.061 54.840 0.062 0.000 0.814 240 L CB 0.980 43.056 42.059 0.028 0.000 1.217 240 L HN 0.320 nan 8.230 nan 0.000 0.420 241 I N 6.280 126.880 120.570 0.050 0.000 2.354 241 I HA 0.339 4.509 4.170 0.001 0.000 0.292 241 I C -0.719 175.423 176.117 0.041 0.000 0.989 241 I CA -0.484 60.819 61.300 0.006 0.000 1.188 241 I CB 1.418 39.392 38.000 -0.043 0.000 1.342 241 I HN 0.466 nan 8.210 nan 0.000 0.457 242 L N 5.615 126.859 121.223 0.036 0.000 2.305 242 L HA 0.364 4.705 4.340 0.001 0.000 0.284 242 L C -0.437 176.478 176.870 0.074 0.000 1.013 242 L CA -0.579 54.311 54.840 0.084 0.000 0.819 242 L CB 1.558 43.666 42.059 0.082 0.000 1.227 242 L HN 0.516 nan 8.230 nan 0.000 0.417 243 D N 3.783 124.264 120.400 0.135 0.000 2.411 243 D HA 0.083 4.724 4.640 0.001 0.000 0.225 243 D C 0.068 176.464 176.300 0.160 0.000 1.156 243 D CA -0.026 54.066 54.000 0.152 0.000 0.874 243 D CB 0.864 41.831 40.800 0.279 0.000 1.034 243 D HN 0.473 nan 8.370 nan 0.000 0.502 244 E N 2.707 122.982 120.200 0.125 0.000 2.511 244 E HA 0.172 4.522 4.350 0.001 0.000 0.214 244 E C 1.118 177.798 176.600 0.134 0.000 1.062 244 E CA -0.376 56.110 56.400 0.143 0.000 1.213 244 E CB 0.803 30.611 29.700 0.179 0.000 1.214 244 E HN 0.546 nan 8.360 nan 0.000 0.441 245 A N 0.848 123.744 122.820 0.126 0.000 1.917 245 A HA -0.262 4.059 4.320 0.001 0.000 0.219 245 A C 2.042 179.683 177.584 0.096 0.000 1.182 245 A CA 1.505 53.609 52.037 0.112 0.000 0.633 245 A CB -0.040 19.039 19.000 0.132 0.000 0.819 245 A HN 0.249 nan 8.150 nan 0.000 0.448 246 Q N -1.873 117.983 119.800 0.093 0.000 2.396 246 Q HA -0.014 4.327 4.340 0.001 0.000 0.220 246 Q C 2.004 178.032 176.000 0.047 0.000 0.900 246 Q CA 1.087 56.926 55.803 0.059 0.000 0.925 246 Q CB 0.241 29.007 28.738 0.047 0.000 1.065 246 Q HN 0.848 nan 8.270 nan 0.000 0.535 247 T N -2.388 112.208 114.554 0.071 0.000 3.067 247 T HA 0.133 4.483 4.350 0.001 0.000 0.257 247 T C 1.029 175.772 174.700 0.072 0.000 1.105 247 T CA 0.278 62.415 62.100 0.062 0.000 1.104 247 T CB 0.068 68.985 68.868 0.081 0.000 0.925 247 T HN 0.130 nan 8.240 nan 0.000 0.498 248 G N 0.781 109.654 108.800 0.123 0.000 2.616 248 G HA2 0.432 4.392 3.960 0.001 0.000 0.268 248 G HA3 0.432 4.392 3.960 0.001 0.000 0.268 248 G C 0.159 175.052 174.900 -0.012 0.000 1.213 248 G CA -0.134 45.071 45.100 0.175 0.000 0.926 248 G HN 0.814 nan 8.290 nan 0.000 0.523 249 V N -0.354 119.429 119.914 -0.218 0.000 5.658 249 V HA -0.201 3.919 4.120 0.001 0.000 0.312 249 V C 1.868 177.836 176.094 -0.210 0.000 0.480 249 V CA 1.556 63.705 62.300 -0.251 0.000 0.684 249 V CB -2.041 29.733 31.823 -0.081 0.000 0.426 249 V HN 2.786 nan 8.190 nan 0.000 1.241 250 G N -0.288 108.358 108.800 -0.257 0.000 2.234 250 G HA2 -0.432 3.528 3.960 0.001 0.000 0.260 250 G HA3 -0.432 3.528 3.960 0.001 0.000 0.260 250 G C 0.818 175.652 174.900 -0.110 0.000 0.987 250 G CA 1.222 46.217 45.100 -0.175 0.000 0.625 250 G HN 0.892 nan 8.290 nan 0.000 0.532 251 R N 0.755 121.202 120.500 -0.087 0.000 2.117 251 R HA -0.110 4.231 4.340 0.001 0.000 0.243 251 R C 2.654 178.919 176.300 -0.058 0.000 1.143 251 R CA 2.570 58.630 56.100 -0.067 0.000 0.968 251 R CB -0.461 29.809 30.300 -0.050 0.000 0.863 251 R HN 0.673 nan 8.270 nan 0.000 0.444 252 T N -3.822 110.704 114.554 -0.046 0.000 3.144 252 T HA 0.264 4.614 4.350 0.001 0.000 0.249 252 T C 1.059 175.737 174.700 -0.036 0.000 1.089 252 T CA 0.333 62.413 62.100 -0.034 0.000 0.989 252 T CB 0.807 69.668 68.868 -0.011 0.000 0.992 252 T HN 0.445 nan 8.240 nan 0.000 0.540 253 G N 0.940 109.710 108.800 -0.051 0.000 2.176 253 G HA2 -0.145 3.815 3.960 0.001 0.000 0.232 253 G HA3 -0.145 3.815 3.960 0.001 0.000 0.232 253 G C 0.162 175.034 174.900 -0.046 0.000 0.986 253 G CA 0.133 45.206 45.100 -0.045 0.000 0.643 253 G HN 1.321 nan 8.290 nan 0.000 0.522 254 T N -3.835 110.683 114.554 -0.060 0.000 2.883 254 T HA 0.627 4.977 4.350 0.001 0.000 0.301 254 T C 1.012 175.624 174.700 -0.146 0.000 1.158 254 T CA 0.158 62.219 62.100 -0.065 0.000 1.007 254 T CB 1.762 70.620 68.868 -0.017 0.000 1.186 254 T HN 0.398 nan 8.240 nan 0.000 0.499 255 M N 0.521 119.991 119.600 -0.216 0.000 2.082 255 M HA 0.258 4.738 4.480 0.001 0.000 0.258 255 M C -0.705 175.088 176.300 -0.845 0.000 1.069 255 M CA 1.486 56.480 55.300 -0.510 0.000 1.102 255 M CB -0.807 31.480 32.600 -0.522 0.000 1.336 255 M HN 0.661 nan 8.290 nan 0.000 0.404 256 F N -1.884 118.067 119.950 0.002 0.000 2.565 256 F HA 0.564 5.091 4.527 0.001 0.000 0.313 256 F C 0.975 176.783 175.800 0.013 0.000 1.091 256 F CA -0.741 57.264 58.000 0.008 0.000 0.915 256 F CB 0.748 39.754 39.000 0.009 0.000 1.208 256 F HN -0.013 nan 8.300 nan 0.000 0.453 257 A N 0.733 123.663 122.820 0.183 0.000 1.978 257 A HA -0.207 4.114 4.320 0.001 0.000 0.220 257 A C 2.099 179.756 177.584 0.121 0.000 1.170 257 A CA 1.975 54.081 52.037 0.116 0.000 0.636 257 A CB -1.388 17.671 19.000 0.099 0.000 0.810 257 A HN 1.024 nan 8.150 nan 0.000 0.448 258 C N -1.382 118.008 119.300 0.150 0.000 2.419 258 C HA -0.082 4.379 4.460 0.001 0.000 0.283 258 C C 2.371 177.419 174.990 0.097 0.000 1.373 258 C CA 0.899 59.982 59.018 0.109 0.000 1.781 258 C CB -1.791 25.998 27.740 0.083 0.000 1.886 258 C HN 0.650 nan 8.230 nan 0.000 0.520 259 Q N 0.664 120.538 119.800 0.123 0.000 2.230 259 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 259 Q C 2.554 178.592 176.000 0.062 0.000 0.963 259 Q CA 1.189 57.049 55.803 0.094 0.000 0.866 259 Q CB -0.254 28.550 28.738 0.110 0.000 0.931 259 Q HN 0.787 nan 8.270 nan 0.000 0.452 260 R N 0.940 121.476 120.500 0.059 0.000 2.073 260 R HA -0.161 4.179 4.340 0.001 0.000 0.234 260 R C 0.704 177.031 176.300 0.044 0.000 1.134 260 R CA 2.030 58.157 56.100 0.044 0.000 0.952 260 R CB 0.134 30.458 30.300 0.040 0.000 0.850 260 R HN 0.220 nan 8.270 nan 0.000 0.433 261 D N -1.404 119.027 120.400 0.052 0.000 2.323 261 D HA 0.125 4.765 4.640 0.001 0.000 0.209 261 D C 0.972 177.295 176.300 0.039 0.000 0.973 261 D CA 1.023 55.053 54.000 0.049 0.000 0.874 261 D CB 0.405 41.241 40.800 0.060 0.000 0.930 261 D HN 0.511 nan 8.370 nan 0.000 0.521 262 G N 0.112 108.936 108.800 0.039 0.000 2.155 262 G HA2 -0.272 3.689 3.960 0.001 0.000 0.257 262 G HA3 -0.272 3.689 3.960 0.001 0.000 0.257 262 G C 0.136 175.050 174.900 0.022 0.000 0.983 262 G CA 0.189 45.307 45.100 0.030 0.000 0.676 262 G HN 0.312 nan 8.290 nan 0.000 0.528 263 V N 1.424 121.354 119.914 0.027 0.000 2.370 263 V HA 0.544 4.664 4.120 0.001 0.000 0.279 263 V C 0.624 176.726 176.094 0.014 0.000 1.029 263 V CA -0.048 62.260 62.300 0.014 0.000 0.870 263 V CB 1.605 33.438 31.823 0.016 0.000 0.984 263 V HN 0.273 nan 8.190 nan 0.000 0.451 264 T N 8.499 123.052 114.554 -0.002 0.000 2.744 264 T HA 0.374 4.725 4.350 0.001 0.000 0.291 264 T C -2.103 172.585 174.700 -0.020 0.000 0.957 264 T CA -0.733 61.360 62.100 -0.012 0.000 1.002 264 T CB 1.401 70.258 68.868 -0.019 0.000 0.919 264 T HN 0.558 nan 8.240 nan 0.000 0.468 265 P HA 0.303 nan 4.420 nan 0.000 0.276 265 P C 0.118 177.395 177.300 -0.039 0.000 1.261 265 P CA -0.430 62.657 63.100 -0.022 0.000 0.800 265 P CB 1.229 32.921 31.700 -0.013 0.000 1.066 266 D N -0.255 120.124 120.400 -0.035 0.000 2.162 266 D HA 0.077 4.717 4.640 0.001 0.000 0.203 266 D C 0.680 176.941 176.300 -0.065 0.000 0.967 266 D CA 1.407 55.379 54.000 -0.047 0.000 0.840 266 D CB 0.316 41.094 40.800 -0.037 0.000 0.972 266 D HN 0.353 nan 8.370 nan 0.000 0.482 267 I N 0.847 121.379 120.570 -0.064 0.000 2.619 267 I HA 0.213 4.384 4.170 0.001 0.000 0.292 267 I C -1.200 174.869 176.117 -0.081 0.000 1.100 267 I CA -0.990 60.258 61.300 -0.086 0.000 1.043 267 I CB 2.950 40.894 38.000 -0.092 0.000 1.239 267 I HN -0.223 nan 8.210 nan 0.000 0.420 268 L N 6.022 127.179 121.223 -0.109 0.000 2.322 268 L HA 0.717 5.057 4.340 0.001 0.000 0.281 268 L C -0.045 176.763 176.870 -0.103 0.000 1.014 268 L CA 0.211 54.981 54.840 -0.116 0.000 0.815 268 L CB 1.855 43.786 42.059 -0.213 0.000 1.247 268 L HN 0.741 nan 8.230 nan 0.000 0.421 269 T N 3.287 117.807 114.554 -0.057 0.000 2.885 269 T HA 0.798 5.148 4.350 0.001 0.000 0.285 269 T C -0.541 174.161 174.700 0.002 0.000 1.019 269 T CA -0.708 61.370 62.100 -0.038 0.000 1.010 269 T CB 1.148 70.001 68.868 -0.024 0.000 1.022 269 T HN 0.564 nan 8.240 nan 0.000 0.466 270 L N 2.095 123.323 121.223 0.009 0.000 2.393 270 L HA 0.720 5.060 4.340 0.001 0.000 0.260 270 L C 0.466 177.366 176.870 0.050 0.000 1.002 270 L CA -0.803 54.070 54.840 0.055 0.000 0.818 270 L CB 2.518 44.619 42.059 0.070 0.000 1.369 270 L HN 1.067 nan 8.230 nan 0.000 0.412 271 S N -0.470 115.269 115.700 0.065 0.000 6.155 271 S HA 0.102 4.573 4.470 0.001 0.000 0.106 271 S C 1.065 175.696 174.600 0.052 0.000 1.181 271 S CA -0.560 57.673 58.200 0.055 0.000 1.352 271 S CB 0.111 63.347 63.200 0.061 0.000 2.017 271 S HN 0.446 nan 8.310 nan 0.000 0.611 272 K N 1.666 122.101 120.400 0.060 0.000 2.015 272 K HA -0.151 4.169 4.320 0.001 0.000 0.216 272 K C 2.411 179.027 176.600 0.027 0.000 1.052 272 K CA 2.403 58.718 56.287 0.047 0.000 0.937 272 K CB -0.917 31.614 32.500 0.052 0.000 0.719 272 K HN 0.800 nan 8.250 nan 0.000 0.446 273 T N -0.329 114.242 114.554 0.029 0.000 3.055 273 T HA -0.033 4.318 4.350 0.001 0.000 0.265 273 T C 1.799 176.504 174.700 0.007 0.000 1.111 273 T CA 0.455 62.560 62.100 0.008 0.000 1.118 273 T CB -0.018 68.852 68.868 0.004 0.000 0.909 273 T HN 0.054 nan 8.240 nan 0.000 0.501 274 L N 1.820 123.061 121.223 0.030 0.000 2.095 274 L HA 0.419 4.760 4.340 0.001 0.000 0.204 274 L C 2.490 179.363 176.870 0.005 0.000 1.080 274 L CA 1.850 56.707 54.840 0.028 0.000 0.759 274 L CB -1.015 41.075 42.059 0.051 0.000 0.914 274 L HN 0.343 nan 8.230 nan 0.000 0.439 275 G N -1.623 107.181 108.800 0.006 0.000 2.623 275 G HA2 0.149 4.109 3.960 0.001 0.000 0.214 275 G HA3 0.149 4.109 3.960 0.001 0.000 0.214 275 G C 1.040 175.934 174.900 -0.011 0.000 1.138 275 G CA 0.417 45.515 45.100 -0.003 0.000 0.794 275 G HN 0.842 nan 8.290 nan 0.000 0.535 276 A N -1.410 121.402 122.820 -0.015 0.000 2.799 276 A HA 0.161 4.481 4.320 0.001 0.000 0.287 276 A C 1.884 179.454 177.584 -0.024 0.000 1.484 276 A CA 1.990 54.008 52.037 -0.031 0.000 0.813 276 A CB -1.479 17.492 19.000 -0.048 0.000 1.009 276 A HN 2.204 nan 8.150 nan 0.000 0.545 277 G N -3.233 105.564 108.800 -0.005 0.000 2.428 277 G HA2 0.124 4.084 3.960 0.001 0.000 0.199 277 G HA3 0.124 4.084 3.960 0.001 0.000 0.199 277 G C 0.030 174.943 174.900 0.023 0.000 1.005 277 G CA 0.215 45.323 45.100 0.014 0.000 0.671 277 G HN 1.684 nan 8.290 nan 0.000 0.485 278 L N 3.410 124.640 121.223 0.012 0.000 2.379 278 L HA 0.697 5.037 4.340 0.001 0.000 0.269 278 L C -1.827 175.041 176.870 -0.002 0.000 1.084 278 L CA -2.217 52.626 54.840 0.004 0.000 0.802 278 L CB 0.816 42.873 42.059 -0.002 0.000 1.175 278 L HN 0.002 nan 8.230 nan 0.000 0.448 279 P HA 0.213 nan 4.420 nan 0.000 0.268 279 P C -1.326 175.963 177.300 -0.017 0.000 1.541 279 P CA -0.191 62.900 63.100 -0.015 0.000 1.093 279 P CB 0.579 32.257 31.700 -0.036 0.000 1.551 280 L N 3.127 124.351 121.223 0.001 0.000 2.445 280 L HA 0.860 5.201 4.340 0.001 0.000 0.262 280 L C -1.443 175.438 176.870 0.018 0.000 0.974 280 L CA -0.766 54.077 54.840 0.005 0.000 0.822 280 L CB 2.242 44.298 42.059 -0.005 0.000 1.339 280 L HN 0.420 nan 8.230 nan 0.000 0.409 281 A N 2.928 125.761 122.820 0.022 0.000 2.588 281 A HA 1.082 5.402 4.320 0.001 0.000 0.290 281 A C -1.545 176.044 177.584 0.008 0.000 1.136 281 A CA -0.079 51.971 52.037 0.022 0.000 0.681 281 A CB 1.492 20.509 19.000 0.030 0.000 1.282 281 A HN 1.884 nan 8.150 nan 0.000 0.421 282 A N -0.547 122.269 122.820 -0.008 0.000 2.586 282 A HA 0.734 5.054 4.320 0.001 0.000 0.291 282 A C -1.146 176.402 177.584 -0.061 0.000 1.062 282 A CA 0.169 52.188 52.037 -0.031 0.000 0.666 282 A CB 0.514 19.500 19.000 -0.023 0.000 1.281 282 A HN 2.230 nan 8.150 nan 0.000 0.421 283 I N -1.411 119.108 120.570 -0.086 0.000 2.689 283 I HA 0.916 5.087 4.170 0.001 0.000 0.299 283 I C -1.226 174.824 176.117 -0.112 0.000 1.059 283 I CA -1.188 60.047 61.300 -0.110 0.000 1.055 283 I CB 2.211 40.127 38.000 -0.141 0.000 1.243 283 I HN 0.351 nan 8.210 nan 0.000 0.425 284 V N 3.376 123.213 119.914 -0.128 0.000 2.656 284 V HA 0.719 4.839 4.120 0.001 0.000 0.307 284 V C -0.110 175.907 176.094 -0.129 0.000 1.051 284 V CA -0.265 61.957 62.300 -0.129 0.000 0.893 284 V CB 1.649 33.377 31.823 -0.159 0.000 0.999 284 V HN 0.989 nan 8.190 nan 0.000 0.426 285 T N 1.498 115.982 114.554 -0.117 0.000 2.778 285 T HA 0.570 4.921 4.350 0.001 0.000 0.293 285 T C -0.105 174.541 174.700 -0.091 0.000 1.144 285 T CA 0.141 62.175 62.100 -0.110 0.000 1.010 285 T CB 1.983 70.774 68.868 -0.129 0.000 1.325 285 T HN 1.060 nan 8.240 nan 0.000 0.515 286 S N 0.855 116.507 115.700 -0.080 0.000 2.614 286 S HA 0.570 5.040 4.470 0.001 0.000 0.265 286 S C 1.702 176.267 174.600 -0.060 0.000 1.303 286 S CA -0.031 58.131 58.200 -0.063 0.000 1.000 286 S CB 0.780 63.949 63.200 -0.053 0.000 0.935 286 S HN 1.012 nan 8.310 nan 0.000 0.551 287 A N 1.953 124.745 122.820 -0.047 0.000 1.902 287 A HA 0.122 4.443 4.320 0.001 0.000 0.217 287 A C 2.397 179.960 177.584 -0.035 0.000 1.181 287 A CA 1.839 53.852 52.037 -0.040 0.000 0.623 287 A CB -1.690 17.291 19.000 -0.031 0.000 0.818 287 A HN 1.362 nan 8.150 nan 0.000 0.443 288 A N -0.142 122.659 122.820 -0.032 0.000 1.902 288 A HA -0.080 4.241 4.320 0.001 0.000 0.217 288 A C 2.135 179.701 177.584 -0.030 0.000 1.181 288 A CA 1.564 53.586 52.037 -0.025 0.000 0.623 288 A CB -0.563 18.423 19.000 -0.024 0.000 0.818 288 A HN 0.502 nan 8.150 nan 0.000 0.443 289 I N -0.808 119.735 120.570 -0.047 0.000 2.286 289 I HA -0.175 3.995 4.170 0.001 0.000 0.245 289 I C 2.629 178.701 176.117 -0.076 0.000 1.104 289 I CA 1.360 62.623 61.300 -0.061 0.000 1.397 289 I CB -0.268 37.685 38.000 -0.079 0.000 1.072 289 I HN 0.387 nan 8.210 nan 0.000 0.417 290 E N 1.176 121.328 120.200 -0.081 0.000 2.077 290 E HA -0.233 4.118 4.350 0.001 0.000 0.193 290 E C 1.941 178.533 176.600 -0.013 0.000 0.989 290 E CA 1.325 57.675 56.400 -0.084 0.000 0.800 290 E CB 0.034 29.686 29.700 -0.079 0.000 0.746 290 E HN 0.387 nan 8.360 nan 0.000 0.452 291 E N 0.445 120.645 120.200 0.000 0.000 2.077 291 E HA -0.195 4.156 4.350 0.001 0.000 0.193 291 E C 2.203 178.845 176.600 0.070 0.000 0.989 291 E CA 0.879 57.307 56.400 0.046 0.000 0.800 291 E CB -0.239 29.476 29.700 0.024 0.000 0.746 291 E HN 0.043 nan 8.360 nan 0.000 0.452 292 R N 1.089 121.606 120.500 0.027 0.000 2.075 292 R HA -0.009 4.331 4.340 0.001 0.000 0.232 292 R C 2.064 178.384 176.300 0.033 0.000 1.126 292 R CA 1.621 57.735 56.100 0.024 0.000 0.963 292 R CB -0.799 29.502 30.300 0.003 0.000 0.858 292 R HN 0.113 nan 8.270 nan 0.000 0.435 293 A N -0.560 122.268 122.820 0.014 0.000 1.902 293 A HA -0.218 4.102 4.320 0.001 0.000 0.217 293 A C 2.135 179.797 177.584 0.130 0.000 1.181 293 A CA 1.947 54.001 52.037 0.028 0.000 0.623 293 A CB -0.955 17.946 19.000 -0.164 0.000 0.818 293 A HN 0.646 nan 8.150 nan 0.000 0.443 294 H N -0.065 119.035 119.070 0.049 0.000 2.321 294 H HA -0.080 4.476 4.556 0.001 0.000 0.300 294 H C 1.897 177.264 175.328 0.065 0.000 1.087 294 H CA 2.054 58.151 56.048 0.080 0.000 1.319 294 H CB -0.210 29.583 29.762 0.052 0.000 1.379 294 H HN 0.606 nan 8.280 nan 0.000 0.501 295 E N -0.071 120.119 120.200 -0.017 0.000 2.130 295 E HA -0.153 4.198 4.350 0.001 0.000 0.196 295 E C 1.666 178.222 176.600 -0.073 0.000 0.998 295 E CA 1.298 57.659 56.400 -0.065 0.000 0.806 295 E CB -0.039 29.668 29.700 0.010 0.000 0.738 295 E HN 0.513 nan 8.360 nan 0.000 0.459 296 L N -0.577 120.633 121.223 -0.022 0.000 2.612 296 L HA 0.179 4.520 4.340 0.001 0.000 0.230 296 L C 1.105 177.978 176.870 0.005 0.000 1.140 296 L CA 0.216 55.058 54.840 0.002 0.000 0.896 296 L CB 0.096 42.178 42.059 0.039 0.000 1.065 296 L HN 0.263 nan 8.230 nan 0.000 0.447 297 G N -0.669 108.109 108.800 -0.037 0.000 2.149 297 G HA2 -0.363 3.598 3.960 0.001 0.000 0.235 297 G HA3 -0.363 3.598 3.960 0.001 0.000 0.235 297 G C 0.113 175.053 174.900 0.066 0.000 1.018 297 G CA -0.373 44.712 45.100 -0.025 0.000 0.728 297 G HN 0.307 nan 8.290 nan 0.000 0.508 298 Y N -0.483 119.828 120.300 0.018 0.000 2.895 298 Y HA 0.309 4.859 4.550 0.000 0.000 0.334 298 Y C 0.400 176.361 175.900 0.101 0.000 1.261 298 Y CA 0.573 58.715 58.100 0.071 0.000 1.560 298 Y CB 0.354 38.869 38.460 0.091 0.000 1.253 298 Y HN 0.527 nan 8.280 nan 0.000 0.582 299 L N 8.137 129.067 121.223 -0.487 0.000 2.381 299 L HA 0.537 4.877 4.340 0.001 0.000 0.274 299 L C -1.935 174.664 176.870 -0.452 0.000 0.988 299 L CA -0.630 54.010 54.840 -0.334 0.000 0.824 299 L CB 1.258 43.203 42.059 -0.191 0.000 1.263 299 L HN 0.634 nan 8.230 nan 0.000 0.410 300 F N 5.607 125.367 119.950 -0.317 0.000 3.159 300 F HA 0.310 4.838 4.527 0.000 0.000 0.394 300 F C -1.837 173.955 175.800 -0.014 0.000 1.214 300 F CA -0.378 57.512 58.000 -0.185 0.000 1.241 300 F CB 0.465 39.370 39.000 -0.159 0.000 2.238 300 F HN 0.457 nan 8.300 nan 0.000 0.658 301 Y N 3.108 123.243 120.300 -0.276 0.000 2.335 301 Y HA 0.593 5.143 4.550 0.001 0.000 0.339 301 Y C 0.226 175.996 175.900 -0.217 0.000 0.987 301 Y CA -0.213 57.782 58.100 -0.176 0.000 1.140 301 Y CB 1.113 39.471 38.460 -0.169 0.000 1.173 301 Y HN 0.469 nan 8.280 nan 0.000 0.486 302 T N -0.240 114.195 114.554 -0.199 0.000 2.887 302 T HA 0.267 4.617 4.350 0.001 0.000 0.292 302 T C 0.781 175.362 174.700 -0.199 0.000 1.087 302 T CA -0.444 61.575 62.100 -0.134 0.000 1.009 302 T CB 1.465 70.309 68.868 -0.040 0.000 1.203 302 T HN 0.465 nan 8.240 nan 0.000 0.518 303 T N 0.734 115.171 114.554 -0.195 0.000 2.684 303 T HA -0.122 4.229 4.350 0.001 0.000 0.267 303 T C 1.153 175.622 174.700 -0.385 0.000 1.036 303 T CA 1.569 63.466 62.100 -0.338 0.000 1.148 303 T CB -0.472 68.028 68.868 -0.612 0.000 0.863 303 T HN 0.721 nan 8.240 nan 0.000 0.436 304 H N -0.385 118.708 119.070 0.037 0.000 2.549 304 H HA 0.414 4.971 4.556 0.001 0.000 0.279 304 H C 0.667 175.992 175.328 -0.005 0.000 1.018 304 H CA -0.419 55.662 56.048 0.054 0.000 1.175 304 H CB -0.453 29.344 29.762 0.058 0.000 1.485 304 H HN 0.173 nan 8.280 nan 0.000 0.543 305 V N 1.952 121.861 119.914 -0.009 0.000 2.694 305 V HA -0.095 4.025 4.120 0.001 0.000 0.306 305 V C 0.481 176.529 176.094 -0.078 0.000 1.054 305 V CA 0.728 63.005 62.300 -0.038 0.000 1.161 305 V CB 0.398 32.154 31.823 -0.112 0.000 0.916 305 V HN 0.677 nan 8.190 nan 0.000 0.490 306 S N 3.082 118.758 115.700 -0.041 0.000 3.587 306 S HA -0.173 4.297 4.470 0.001 0.000 0.337 306 S C -0.074 174.503 174.600 -0.038 0.000 1.119 306 S CA 1.043 59.213 58.200 -0.050 0.000 0.976 306 S CB -1.368 61.781 63.200 -0.084 0.000 0.922 306 S HN 0.983 nan 8.310 nan 0.000 0.503 307 D N 1.478 121.885 120.400 0.011 0.000 2.308 307 D HA 0.259 4.899 4.640 0.001 0.000 0.251 307 D C -0.559 175.754 176.300 0.022 0.000 1.127 307 D CA -1.823 52.205 54.000 0.047 0.000 0.876 307 D CB 0.981 41.890 40.800 0.182 0.000 1.176 307 D HN 0.141 nan 8.370 nan 0.000 0.446 308 P HA -0.119 nan 4.420 nan 0.000 0.217 308 P C 1.808 179.071 177.300 -0.063 0.000 1.151 308 P CA 0.548 63.644 63.100 -0.007 0.000 0.828 308 P CB 0.563 32.301 31.700 0.063 0.000 0.788 309 L N 0.285 121.522 121.223 0.024 0.000 2.017 309 L HA -0.018 4.322 4.340 0.001 0.000 0.208 309 L C -0.612 176.219 176.870 -0.065 0.000 1.073 309 L CA 2.440 57.283 54.840 0.006 0.000 0.745 309 L CB -1.875 40.243 42.059 0.099 0.000 0.894 309 L HN -0.017 nan 8.230 nan 0.000 0.432 310 P HA -0.141 nan 4.420 nan 0.000 0.216 310 P C 1.460 178.717 177.300 -0.071 0.000 1.153 310 P CA 1.869 64.944 63.100 -0.041 0.000 0.848 310 P CB -0.121 31.568 31.700 -0.018 0.000 0.787 311 A N 0.111 122.881 122.820 -0.084 0.000 1.902 311 A HA -0.148 4.172 4.320 0.001 0.000 0.217 311 A C 2.317 179.801 177.584 -0.166 0.000 1.181 311 A CA 2.171 54.148 52.037 -0.100 0.000 0.623 311 A CB -1.637 17.310 19.000 -0.088 0.000 0.818 311 A HN 0.188 nan 8.150 nan 0.000 0.443 312 A N -0.651 121.988 122.820 -0.301 0.000 1.933 312 A HA 0.010 4.330 4.320 0.001 0.000 0.218 312 A C 2.230 179.667 177.584 -0.245 0.000 1.175 312 A CA 1.792 53.551 52.037 -0.462 0.000 0.628 312 A CB -0.843 17.452 19.000 -1.175 0.000 0.814 312 A HN 0.379 nan 8.150 nan 0.000 0.444 313 V N -0.189 119.628 119.914 -0.163 0.000 2.307 313 V HA -0.158 3.962 4.120 0.001 0.000 0.245 313 V C 2.844 178.897 176.094 -0.068 0.000 1.045 313 V CA 1.953 64.205 62.300 -0.080 0.000 1.024 313 V CB -1.450 30.346 31.823 -0.045 0.000 0.651 313 V HN 0.597 nan 8.190 nan 0.000 0.449 314 G N -0.218 108.543 108.800 -0.065 0.000 2.440 314 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 314 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 314 G C 1.586 176.459 174.900 -0.046 0.000 1.154 314 G CA 1.157 46.230 45.100 -0.044 0.000 0.767 314 G HN 0.423 nan 8.290 nan 0.000 0.552 315 L N 0.519 121.705 121.223 -0.062 0.000 2.083 315 L HA 0.091 4.431 4.340 0.001 0.000 0.209 315 L C 2.697 179.541 176.870 -0.043 0.000 1.083 315 L CA 1.886 56.697 54.840 -0.049 0.000 0.752 315 L CB -0.467 41.555 42.059 -0.062 0.000 0.899 315 L HN 0.190 nan 8.230 nan 0.000 0.433 316 R N -0.849 119.620 120.500 -0.052 0.000 2.092 316 R HA -0.084 4.256 4.340 0.001 0.000 0.231 316 R C 2.064 178.323 176.300 -0.069 0.000 1.119 316 R CA 1.895 57.970 56.100 -0.043 0.000 0.970 316 R CB -1.002 29.282 30.300 -0.028 0.000 0.864 316 R HN 0.289 nan 8.270 nan 0.000 0.440 317 V N 0.840 120.709 119.914 -0.075 0.000 2.287 317 V HA -0.255 3.866 4.120 0.001 0.000 0.248 317 V C 2.323 178.369 176.094 -0.080 0.000 1.053 317 V CA 2.018 64.262 62.300 -0.094 0.000 1.027 317 V CB -0.467 31.314 31.823 -0.071 0.000 0.646 317 V HN 0.302 nan 8.190 nan 0.000 0.447 318 L N -0.408 120.785 121.223 -0.051 0.000 2.083 318 L HA -0.183 4.157 4.340 0.001 0.000 0.209 318 L C 2.386 179.231 176.870 -0.042 0.000 1.083 318 L CA 1.520 56.336 54.840 -0.041 0.000 0.752 318 L CB -0.820 41.231 42.059 -0.012 0.000 0.899 318 L HN 0.334 nan 8.230 nan 0.000 0.433 319 D N -0.104 120.274 120.400 -0.037 0.000 2.104 319 D HA -0.153 4.487 4.640 0.001 0.000 0.194 319 D C 2.324 178.603 176.300 -0.034 0.000 0.994 319 D CA 1.186 55.170 54.000 -0.026 0.000 0.830 319 D CB -0.164 40.627 40.800 -0.016 0.000 0.959 319 D HN 0.088 nan 8.370 nan 0.000 0.452 320 V N 0.510 120.387 119.914 -0.062 0.000 2.307 320 V HA -0.190 3.930 4.120 0.001 0.000 0.245 320 V C 2.672 178.730 176.094 -0.060 0.000 1.045 320 V CA 0.956 63.212 62.300 -0.074 0.000 1.024 320 V CB -0.458 31.255 31.823 -0.184 0.000 0.651 320 V HN 0.050 nan 8.190 nan 0.000 0.449 321 V N -0.309 119.559 119.914 -0.076 0.000 2.332 321 V HA -0.340 3.780 4.120 0.001 0.000 0.248 321 V C 2.462 178.523 176.094 -0.056 0.000 1.055 321 V CA 2.163 64.421 62.300 -0.071 0.000 1.038 321 V CB -0.712 31.056 31.823 -0.091 0.000 0.651 321 V HN 0.596 nan 8.190 nan 0.000 0.450 322 Q N 0.005 119.776 119.800 -0.049 0.000 1.990 322 Q HA -0.228 4.113 4.340 0.001 0.000 0.200 322 Q C 2.447 178.434 176.000 -0.022 0.000 0.980 322 Q CA 1.987 57.768 55.803 -0.036 0.000 0.832 322 Q CB -0.290 28.432 28.738 -0.027 0.000 0.897 322 Q HN 0.756 nan 8.270 nan 0.000 0.427 323 R N 0.405 120.896 120.500 -0.014 0.000 2.115 323 R HA -0.076 4.264 4.340 0.001 0.000 0.226 323 R C 0.708 177.010 176.300 0.003 0.000 1.100 323 R CA 1.678 57.777 56.100 -0.002 0.000 0.980 323 R CB -0.013 30.290 30.300 0.005 0.000 0.875 323 R HN 0.060 nan 8.270 nan 0.000 0.445 324 D N 0.468 120.870 120.400 0.003 0.000 2.328 324 D HA 0.131 4.772 4.640 0.001 0.000 0.221 324 D C 0.426 176.727 176.300 0.001 0.000 1.072 324 D CA 0.891 54.898 54.000 0.013 0.000 0.850 324 D CB 0.540 41.359 40.800 0.033 0.000 0.922 324 D HN 0.519 nan 8.370 nan 0.000 0.516 325 G N 1.453 110.246 108.800 -0.011 0.000 2.366 325 G HA2 -0.302 3.658 3.960 0.001 0.000 0.299 325 G HA3 -0.302 3.658 3.960 0.001 0.000 0.299 325 G C 0.993 175.878 174.900 -0.025 0.000 1.020 325 G CA 0.220 45.309 45.100 -0.019 0.000 1.026 325 G HN 0.418 nan 8.290 nan 0.000 0.512 326 L N -0.888 120.315 121.223 -0.033 0.000 2.291 326 L HA -0.044 4.296 4.340 0.001 0.000 0.214 326 L C 2.787 179.624 176.870 -0.055 0.000 1.120 326 L CA 0.728 55.545 54.840 -0.039 0.000 0.799 326 L CB -0.350 41.684 42.059 -0.043 0.000 0.925 326 L HN 0.333 nan 8.230 nan 0.000 0.446 327 V N 0.304 120.179 119.914 -0.066 0.000 2.427 327 V HA -0.247 3.874 4.120 0.001 0.000 0.248 327 V C 2.758 178.820 176.094 -0.053 0.000 1.051 327 V CA 1.784 64.039 62.300 -0.075 0.000 1.048 327 V CB -0.736 31.032 31.823 -0.091 0.000 0.666 327 V HN 0.477 nan 8.190 nan 0.000 0.456 328 A N -0.066 122.729 122.820 -0.041 0.000 1.930 328 A HA -0.173 4.147 4.320 0.001 0.000 0.217 328 A C 2.372 179.940 177.584 -0.027 0.000 1.175 328 A CA 1.450 53.469 52.037 -0.029 0.000 0.627 328 A CB -0.452 18.536 19.000 -0.021 0.000 0.815 328 A HN 0.477 nan 8.150 nan 0.000 0.443 329 R N -0.399 120.085 120.500 -0.027 0.000 2.105 329 R HA -0.115 4.225 4.340 0.001 0.000 0.239 329 R C 2.390 178.668 176.300 -0.036 0.000 1.135 329 R CA 1.157 57.242 56.100 -0.025 0.000 0.967 329 R CB -0.458 29.829 30.300 -0.020 0.000 0.861 329 R HN 0.517 nan 8.270 nan 0.000 0.442 330 A N 1.413 124.206 122.820 -0.046 0.000 1.978 330 A HA -0.181 4.140 4.320 0.001 0.000 0.220 330 A C 1.696 179.252 177.584 -0.047 0.000 1.170 330 A CA 1.477 53.481 52.037 -0.055 0.000 0.636 330 A CB -0.349 18.613 19.000 -0.063 0.000 0.810 330 A HN 0.274 nan 8.150 nan 0.000 0.448 331 N N -0.160 118.518 118.700 -0.037 0.000 2.207 331 N HA -0.067 4.674 4.740 0.001 0.000 0.182 331 N C 1.751 177.247 175.510 -0.024 0.000 1.020 331 N CA 1.528 54.561 53.050 -0.029 0.000 0.858 331 N CB -0.302 38.171 38.487 -0.023 0.000 0.991 331 N HN 0.285 nan 8.380 nan 0.000 0.427 332 V N 1.746 121.647 119.914 -0.021 0.000 2.323 332 V HA -0.111 4.009 4.120 0.001 0.000 0.244 332 V C 2.384 178.467 176.094 -0.017 0.000 1.041 332 V CA 1.137 63.428 62.300 -0.015 0.000 1.025 332 V CB -0.294 31.523 31.823 -0.010 0.000 0.656 332 V HN 0.209 nan 8.190 nan 0.000 0.451 333 M N 0.486 120.071 119.600 -0.025 0.000 2.229 333 M HA -0.022 4.458 4.480 0.001 0.000 0.264 333 M C 2.308 178.581 176.300 -0.045 0.000 1.063 333 M CA 1.839 57.121 55.300 -0.031 0.000 1.114 333 M CB -1.796 30.780 32.600 -0.041 0.000 1.387 333 M HN 0.436 nan 8.290 nan 0.000 0.420 334 G N 0.006 108.775 108.800 -0.052 0.000 2.418 334 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 334 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 334 G C 1.264 176.142 174.900 -0.037 0.000 1.158 334 G CA 1.357 46.423 45.100 -0.057 0.000 0.771 334 G HN 0.472 nan 8.290 nan 0.000 0.545 335 D N -0.433 119.952 120.400 -0.025 0.000 2.183 335 D HA -0.041 4.600 4.640 0.001 0.000 0.203 335 D C 2.388 178.683 176.300 -0.008 0.000 0.969 335 D CA 0.610 54.602 54.000 -0.014 0.000 0.842 335 D CB -0.087 40.708 40.800 -0.009 0.000 0.957 335 D HN 0.268 nan 8.370 nan 0.000 0.484 336 R N -0.088 120.407 120.500 -0.007 0.000 2.075 336 R HA -0.058 4.282 4.340 0.001 0.000 0.232 336 R C 2.340 178.645 176.300 0.008 0.000 1.126 336 R CA 0.717 56.819 56.100 0.003 0.000 0.963 336 R CB -0.350 29.954 30.300 0.007 0.000 0.858 336 R HN 0.277 nan 8.270 nan 0.000 0.435 337 L N 0.721 121.942 121.223 -0.004 0.000 2.017 337 L HA -0.196 4.144 4.340 0.001 0.000 0.208 337 L C 2.740 179.612 176.870 0.003 0.000 1.073 337 L CA 1.566 56.405 54.840 -0.000 0.000 0.745 337 L CB -0.438 41.586 42.059 -0.059 0.000 0.894 337 L HN 0.299 nan 8.230 nan 0.000 0.432 338 R N -0.072 120.422 120.500 -0.010 0.000 2.091 338 R HA -0.210 4.130 4.340 0.001 0.000 0.238 338 R C 2.361 178.664 176.300 0.006 0.000 1.136 338 R CA 1.563 57.660 56.100 -0.004 0.000 0.959 338 R CB -0.133 30.161 30.300 -0.009 0.000 0.856 338 R HN 0.348 nan 8.270 nan 0.000 0.437 339 R N -0.782 119.722 120.500 0.007 0.000 2.091 339 R HA -0.101 4.240 4.340 0.001 0.000 0.238 339 R C 2.377 178.687 176.300 0.017 0.000 1.136 339 R CA 1.482 57.588 56.100 0.010 0.000 0.959 339 R CB -0.567 29.738 30.300 0.009 0.000 0.856 339 R HN 0.395 nan 8.270 nan 0.000 0.437 340 G N 0.784 109.598 108.800 0.023 0.000 2.422 340 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 340 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 340 G C 1.412 176.335 174.900 0.040 0.000 1.146 340 G CA 0.425 45.545 45.100 0.033 0.000 0.769 340 G HN 0.135 nan 8.290 nan 0.000 0.547 341 L N -0.204 121.041 121.223 0.037 0.000 2.093 341 L HA 0.075 4.415 4.340 0.001 0.000 0.208 341 L C 2.815 179.709 176.870 0.039 0.000 1.085 341 L CA 0.395 55.259 54.840 0.041 0.000 0.755 341 L CB -0.282 41.794 42.059 0.029 0.000 0.904 341 L HN 0.183 nan 8.230 nan 0.000 0.435 342 L N -0.616 120.622 121.223 0.026 0.000 2.141 342 L HA -0.186 4.154 4.340 0.001 0.000 0.209 342 L C 2.086 178.968 176.870 0.020 0.000 1.094 342 L CA 0.754 55.606 54.840 0.021 0.000 0.763 342 L CB -0.498 41.569 42.059 0.012 0.000 0.908 342 L HN 0.258 nan 8.230 nan 0.000 0.437 343 D N 0.004 120.415 120.400 0.019 0.000 2.117 343 D HA -0.140 4.501 4.640 0.001 0.000 0.198 343 D C 2.179 178.483 176.300 0.008 0.000 0.982 343 D CA 1.096 55.099 54.000 0.005 0.000 0.828 343 D CB -0.028 40.776 40.800 0.006 0.000 0.967 343 D HN 0.120 nan 8.370 nan 0.000 0.464 344 L N 0.351 121.609 121.223 0.058 0.000 2.093 344 L HA -0.033 4.307 4.340 0.001 0.000 0.208 344 L C 2.407 179.371 176.870 0.157 0.000 1.085 344 L CA 1.057 55.986 54.840 0.148 0.000 0.755 344 L CB -0.640 41.548 42.059 0.215 0.000 0.904 344 L HN 0.068 nan 8.230 nan 0.000 0.435 345 M N -0.916 118.744 119.600 0.099 0.000 2.213 345 M HA -0.216 4.265 4.480 0.001 0.000 0.263 345 M C 2.053 178.377 176.300 0.041 0.000 1.062 345 M CA 1.528 56.880 55.300 0.087 0.000 1.105 345 M CB 0.026 32.657 32.600 0.051 0.000 1.385 345 M HN 0.260 nan 8.290 nan 0.000 0.417 346 E N -0.327 119.872 120.200 -0.002 0.000 2.106 346 E HA -0.167 4.184 4.350 0.001 0.000 0.192 346 E C 2.080 178.623 176.600 -0.095 0.000 0.984 346 E CA 0.964 57.343 56.400 -0.036 0.000 0.806 346 E CB 0.043 29.718 29.700 -0.041 0.000 0.750 346 E HN 0.535 nan 8.360 nan 0.000 0.458 347 R N -0.292 120.094 120.500 -0.190 0.000 2.093 347 R HA 0.035 4.375 4.340 0.001 0.000 0.224 347 R C 0.041 176.033 176.300 -0.513 0.000 1.101 347 R CA 0.554 56.387 56.100 -0.445 0.000 0.979 347 R CB 0.188 30.025 30.300 -0.772 0.000 0.877 347 R HN 0.022 nan 8.270 nan 0.000 0.441 348 F N 0.091 120.044 119.950 0.004 0.000 2.402 348 F HA 0.142 4.669 4.527 0.001 0.000 0.355 348 F C 0.833 176.642 175.800 0.015 0.000 1.123 348 F CA -1.416 56.589 58.000 0.009 0.000 1.021 348 F CB 1.500 40.504 39.000 0.008 0.000 1.160 348 F HN -0.120 nan 8.300 nan 0.000 0.451 349 D N 1.482 121.997 120.400 0.191 0.000 2.350 349 D HA -0.162 4.478 4.640 0.001 0.000 0.216 349 D C 2.004 178.374 176.300 0.117 0.000 0.968 349 D CA 1.156 55.227 54.000 0.119 0.000 0.894 349 D CB 0.245 41.095 40.800 0.084 0.000 0.909 349 D HN 0.620 nan 8.370 nan 0.000 0.520 350 C N -0.482 118.900 119.300 0.136 0.000 2.500 350 C HA 0.262 4.723 4.460 0.001 0.000 0.273 350 C C 1.136 176.180 174.990 0.091 0.000 1.428 350 C CA -0.803 58.272 59.018 0.094 0.000 1.766 350 C CB -1.428 26.349 27.740 0.062 0.000 1.817 350 C HN 0.160 nan 8.230 nan 0.000 0.543 351 I N 2.459 123.094 120.570 0.109 0.000 2.322 351 I HA 0.294 4.464 4.170 0.001 0.000 0.292 351 I C 1.537 177.690 176.117 0.060 0.000 1.060 351 I CA 0.327 61.678 61.300 0.084 0.000 1.309 351 I CB 1.012 39.073 38.000 0.101 0.000 1.415 351 I HN 0.416 nan 8.210 nan 0.000 0.492 352 G N 4.276 113.098 108.800 0.035 0.000 2.595 352 G HA2 -0.017 3.943 3.960 0.001 0.000 0.213 352 G HA3 -0.017 3.943 3.960 0.001 0.000 0.213 352 G C 0.005 174.810 174.900 -0.158 0.000 1.141 352 G CA 0.333 45.461 45.100 0.045 0.000 0.806 352 G HN 0.581 nan 8.290 nan 0.000 0.530 353 D N -1.432 118.800 120.400 -0.280 0.000 2.769 353 D HA 0.409 5.050 4.640 0.001 0.000 0.219 353 D C -1.397 174.783 176.300 -0.201 0.000 1.245 353 D CA -0.367 53.391 54.000 -0.403 0.000 0.801 353 D CB 2.149 42.298 40.800 -1.085 0.000 1.598 353 D HN -0.107 nan 8.370 nan 0.000 0.485 354 V N 3.980 123.818 119.914 -0.126 0.000 2.443 354 V HA 0.681 4.801 4.120 0.001 0.000 0.293 354 V C -0.008 176.055 176.094 -0.051 0.000 1.021 354 V CA -0.512 61.753 62.300 -0.058 0.000 0.848 354 V CB 1.253 33.063 31.823 -0.022 0.000 0.998 354 V HN 0.630 nan 8.190 nan 0.000 0.424 355 R N 3.314 123.790 120.500 -0.040 0.000 2.846 355 R HA 0.996 5.337 4.340 0.001 0.000 0.263 355 R C 0.118 176.407 176.300 -0.019 0.000 1.080 355 R CA -0.314 55.773 56.100 -0.022 0.000 0.961 355 R CB 1.904 32.198 30.300 -0.010 0.000 1.231 355 R HN 1.190 nan 8.270 nan 0.000 0.465 356 G N 0.040 108.830 108.800 -0.016 0.000 2.409 356 G HA2 0.070 4.030 3.960 0.001 0.000 0.421 356 G HA3 0.070 4.030 3.960 0.001 0.000 0.421 356 G C -1.577 173.311 174.900 -0.019 0.000 1.259 356 G CA -0.340 44.746 45.100 -0.023 0.000 1.011 356 G HN 0.761 nan 8.290 nan 0.000 0.497 357 R N -0.750 119.736 120.500 -0.024 0.000 2.604 357 R HA 0.616 4.956 4.340 0.001 0.000 0.270 357 R C 0.988 177.270 176.300 -0.031 0.000 1.052 357 R CA 1.193 57.281 56.100 -0.021 0.000 0.902 357 R CB 1.295 31.588 30.300 -0.012 0.000 1.233 357 R HN 2.759 nan 8.270 nan 0.000 0.455 358 G N 2.393 111.173 108.800 -0.033 0.000 2.611 358 G HA2 -0.338 3.622 3.960 0.001 0.000 0.301 358 G HA3 -0.338 3.622 3.960 0.001 0.000 0.301 358 G C -0.022 174.841 174.900 -0.062 0.000 1.233 358 G CA 0.354 45.427 45.100 -0.044 0.000 0.993 358 G HN 0.507 nan 8.290 nan 0.000 0.553 359 L N 0.160 121.338 121.223 -0.076 0.000 2.978 359 L HA 0.493 4.834 4.340 0.001 0.000 0.239 359 L C 0.118 176.926 176.870 -0.104 0.000 1.293 359 L CA -0.205 54.570 54.840 -0.108 0.000 1.085 359 L CB 0.328 42.311 42.059 -0.127 0.000 1.432 359 L HN 0.354 nan 8.230 nan 0.000 0.512 360 L N 1.173 122.351 121.223 -0.075 0.000 2.433 360 L HA 0.502 4.842 4.340 0.001 0.000 0.256 360 L C -0.876 175.963 176.870 -0.052 0.000 1.063 360 L CA 0.006 54.809 54.840 -0.061 0.000 0.922 360 L CB 0.747 42.782 42.059 -0.040 0.000 1.238 360 L HN -0.004 nan 8.230 nan 0.000 0.466 361 L N 2.551 123.740 121.223 -0.057 0.000 2.319 361 L HA 0.911 5.252 4.340 0.001 0.000 0.267 361 L C 0.388 177.250 176.870 -0.013 0.000 1.011 361 L CA -0.834 53.984 54.840 -0.038 0.000 0.818 361 L CB 2.155 44.187 42.059 -0.044 0.000 1.316 361 L HN 0.608 nan 8.230 nan 0.000 0.432 362 G N 0.642 109.439 108.800 -0.005 0.000 2.566 362 G HA2 0.618 4.578 3.960 0.001 0.000 0.311 362 G HA3 0.618 4.578 3.960 0.001 0.000 0.311 362 G C -1.499 173.418 174.900 0.030 0.000 1.322 362 G CA -0.320 44.791 45.100 0.017 0.000 0.969 362 G HN 0.256 nan 8.290 nan 0.000 0.490 363 V N 1.620 121.589 119.914 0.091 0.000 2.407 363 V HA 0.384 4.504 4.120 0.001 0.000 0.291 363 V C -0.167 175.989 176.094 0.103 0.000 1.018 363 V CA -0.778 61.580 62.300 0.096 0.000 0.842 363 V CB 1.472 33.388 31.823 0.154 0.000 0.996 363 V HN 0.865 nan 8.190 nan 0.000 0.426 364 E N 4.945 125.151 120.200 0.009 0.000 2.174 364 E HA 0.432 4.782 4.350 0.001 0.000 0.282 364 E C -0.922 175.703 176.600 0.042 0.000 0.992 364 E CA -0.713 55.693 56.400 0.010 0.000 0.803 364 E CB 0.984 30.663 29.700 -0.035 0.000 1.090 364 E HN 0.487 nan 8.360 nan 0.000 0.396 365 I N 5.868 126.474 120.570 0.059 0.000 2.342 365 I HA 0.195 4.366 4.170 0.001 0.000 0.291 365 I C 0.302 176.459 176.117 0.066 0.000 1.010 365 I CA -0.485 60.857 61.300 0.070 0.000 1.308 365 I CB 0.522 38.564 38.000 0.070 0.000 1.400 365 I HN 0.358 nan 8.210 nan 0.000 0.488 366 V N 4.157 124.117 119.914 0.076 0.000 3.102 366 V HA 0.613 4.734 4.120 0.001 0.000 0.312 366 V C 0.547 176.675 176.094 0.057 0.000 1.135 366 V CA -0.833 61.513 62.300 0.075 0.000 1.022 366 V CB 2.800 34.689 31.823 0.110 0.000 1.056 366 V HN 0.620 nan 8.190 nan 0.000 0.436 367 K N 0.153 120.579 120.400 0.043 0.000 2.166 367 K HA 0.186 4.507 4.320 0.001 0.000 0.201 367 K C 0.073 176.695 176.600 0.036 0.000 1.052 367 K CA 1.171 57.478 56.287 0.034 0.000 0.969 367 K CB 0.195 32.708 32.500 0.022 0.000 0.761 367 K HN 0.951 nan 8.250 nan 0.000 0.459 368 D N 0.073 120.494 120.400 0.035 0.000 2.620 368 D HA 0.124 4.764 4.640 0.001 0.000 0.252 368 D C 0.317 176.640 176.300 0.040 0.000 1.207 368 D CA -0.213 53.806 54.000 0.031 0.000 0.884 368 D CB 1.403 42.212 40.800 0.014 0.000 1.262 368 D HN -0.093 nan 8.370 nan 0.000 0.552 369 R N 2.607 123.138 120.500 0.051 0.000 2.237 369 R HA -0.034 4.306 4.340 0.001 0.000 0.219 369 R C 1.515 177.838 176.300 0.038 0.000 1.080 369 R CA 1.174 57.316 56.100 0.068 0.000 0.995 369 R CB 0.367 30.710 30.300 0.071 0.000 0.875 369 R HN 0.375 nan 8.270 nan 0.000 0.462 370 R N -1.897 118.611 120.500 0.014 0.000 2.090 370 R HA 0.077 4.418 4.340 0.001 0.000 0.219 370 R C 1.843 178.122 176.300 -0.035 0.000 1.100 370 R CA 1.409 57.504 56.100 -0.009 0.000 0.991 370 R CB -0.024 30.272 30.300 -0.006 0.000 0.893 370 R HN 0.063 nan 8.270 nan 0.000 0.443 371 T N 0.539 115.077 114.554 -0.027 0.000 3.014 371 T HA 0.064 4.414 4.350 0.001 0.000 0.263 371 T C 0.372 175.033 174.700 -0.064 0.000 1.078 371 T CA 0.314 62.389 62.100 -0.043 0.000 1.135 371 T CB 0.095 68.948 68.868 -0.025 0.000 0.895 371 T HN 0.199 nan 8.240 nan 0.000 0.480 372 K N 1.113 121.488 120.400 -0.041 0.000 3.160 372 K HA -0.172 4.148 4.320 0.001 0.000 0.280 372 K C -0.041 176.548 176.600 -0.019 0.000 1.154 372 K CA 0.308 56.570 56.287 -0.042 0.000 0.822 372 K CB -1.334 31.039 32.500 -0.212 0.000 1.239 372 K HN 0.537 nan 8.250 nan 0.000 0.489 373 E N 1.513 121.709 120.200 -0.007 0.000 2.417 373 E HA 0.047 4.397 4.350 0.001 0.000 0.261 373 E C -2.357 174.255 176.600 0.020 0.000 1.000 373 E CA -1.880 54.520 56.400 -0.001 0.000 0.919 373 E CB 0.627 30.327 29.700 -0.000 0.000 0.955 373 E HN -0.059 nan 8.360 nan 0.000 0.455 374 P HA -0.034 nan 4.420 nan 0.000 0.266 374 P C -1.438 175.873 177.300 0.018 0.000 1.195 374 P CA 0.173 63.288 63.100 0.027 0.000 0.768 374 P CB 0.852 32.564 31.700 0.020 0.000 0.838 375 A N 2.885 125.716 122.820 0.018 0.000 2.478 375 A HA 0.248 4.568 4.320 0.001 0.000 0.327 375 A C -0.467 177.116 177.584 -0.002 0.000 1.431 375 A CA -0.391 51.654 52.037 0.012 0.000 1.014 375 A CB -0.722 18.290 19.000 0.020 0.000 1.143 375 A HN 0.417 nan 8.150 nan 0.000 0.532 376 D N 1.829 122.227 120.400 -0.003 0.000 2.363 376 D HA 0.410 5.050 4.640 0.001 0.000 0.263 376 D C 1.394 177.687 176.300 -0.012 0.000 1.258 376 D CA 1.824 55.818 54.000 -0.011 0.000 0.907 376 D CB 0.629 41.424 40.800 -0.008 0.000 1.107 376 D HN 0.820 nan 8.370 nan 0.000 0.495 377 G N 1.808 110.596 108.800 -0.019 0.000 2.358 377 G HA2 -0.354 3.607 3.960 0.001 0.000 0.224 377 G HA3 -0.354 3.607 3.960 0.001 0.000 0.224 377 G C 1.021 175.915 174.900 -0.011 0.000 1.073 377 G CA 0.249 45.339 45.100 -0.017 0.000 0.635 377 G HN 0.485 nan 8.290 nan 0.000 0.509 378 L N 2.261 123.481 121.223 -0.005 0.000 2.017 378 L HA 0.303 4.643 4.340 0.001 0.000 0.208 378 L C 2.793 179.675 176.870 0.020 0.000 1.073 378 L CA 3.338 58.181 54.840 0.005 0.000 0.745 378 L CB -1.128 40.936 42.059 0.008 0.000 0.894 378 L HN 0.533 nan 8.230 nan 0.000 0.432 379 G N -1.002 107.797 108.800 -0.001 0.000 2.446 379 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 379 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 379 G C 1.602 176.496 174.900 -0.010 0.000 1.168 379 G CA 0.981 46.066 45.100 -0.025 0.000 0.771 379 G HN 0.658 nan 8.290 nan 0.000 0.551 380 A N 0.346 123.146 122.820 -0.033 0.000 1.902 380 A HA 0.021 4.341 4.320 0.001 0.000 0.217 380 A C 2.355 179.955 177.584 0.027 0.000 1.181 380 A CA 1.917 53.943 52.037 -0.017 0.000 0.623 380 A CB -0.327 18.653 19.000 -0.032 0.000 0.818 380 A HN 0.239 nan 8.150 nan 0.000 0.443 381 K N -0.217 120.196 120.400 0.022 0.000 2.009 381 K HA -0.117 4.203 4.320 0.001 0.000 0.210 381 K C 1.886 178.509 176.600 0.038 0.000 1.049 381 K CA 1.689 57.986 56.287 0.018 0.000 0.929 381 K CB -0.575 31.927 32.500 0.004 0.000 0.714 381 K HN 0.591 nan 8.250 nan 0.000 0.440 382 I N 0.906 121.523 120.570 0.077 0.000 2.208 382 I HA -0.296 3.875 4.170 0.001 0.000 0.245 382 I C 2.172 178.362 176.117 0.121 0.000 1.097 382 I CA 1.489 62.836 61.300 0.079 0.000 1.363 382 I CB -0.516 37.569 38.000 0.142 0.000 1.051 382 I HN 0.177 nan 8.210 nan 0.000 0.413 383 T N 0.195 114.921 114.554 0.287 0.000 2.788 383 T HA -0.216 4.134 4.350 0.001 0.000 0.268 383 T C 1.972 176.731 174.700 0.098 0.000 1.044 383 T CA 1.365 63.626 62.100 0.268 0.000 1.139 383 T CB -0.317 68.721 68.868 0.284 0.000 0.867 383 T HN 0.367 nan 8.240 nan 0.000 0.454 384 R N 1.095 121.631 120.500 0.059 0.000 2.075 384 R HA -0.096 4.244 4.340 0.001 0.000 0.232 384 R C 2.205 178.505 176.300 0.000 0.000 1.126 384 R CA 1.287 57.400 56.100 0.021 0.000 0.963 384 R CB -0.097 30.208 30.300 0.008 0.000 0.858 384 R HN 0.272 nan 8.270 nan 0.000 0.435 385 E N 0.428 120.623 120.200 -0.009 0.000 2.110 385 E HA -0.193 4.157 4.350 0.001 0.000 0.193 385 E C 2.153 178.723 176.600 -0.050 0.000 0.988 385 E CA 1.252 57.632 56.400 -0.033 0.000 0.804 385 E CB -0.410 29.262 29.700 -0.046 0.000 0.745 385 E HN 0.448 nan 8.360 nan 0.000 0.458 386 C N 0.700 119.965 119.300 -0.060 0.000 2.432 386 C HA -0.129 4.331 4.460 0.001 0.000 0.277 386 C C 2.788 177.739 174.990 -0.065 0.000 1.249 386 C CA 0.927 59.889 59.018 -0.093 0.000 1.725 386 C CB -0.797 26.866 27.740 -0.127 0.000 2.028 386 C HN 0.396 nan 8.230 nan 0.000 0.477 387 M N 2.050 121.633 119.600 -0.029 0.000 2.117 387 M HA -0.085 4.395 4.480 0.001 0.000 0.262 387 M C 1.741 178.027 176.300 -0.022 0.000 1.065 387 M CA 1.710 57.000 55.300 -0.017 0.000 1.114 387 M CB -0.992 31.612 32.600 0.007 0.000 1.361 387 M HN 0.302 nan 8.290 nan 0.000 0.408 388 N N 0.106 118.793 118.700 -0.023 0.000 2.205 388 N HA -0.106 4.634 4.740 0.001 0.000 0.186 388 N C 1.549 177.042 175.510 -0.028 0.000 1.015 388 N CA 1.315 54.352 53.050 -0.023 0.000 0.862 388 N CB -0.471 38.002 38.487 -0.023 0.000 0.986 388 N HN 0.426 nan 8.380 nan 0.000 0.429 389 L N -0.460 120.738 121.223 -0.041 0.000 2.591 389 L HA 0.163 4.503 4.340 0.001 0.000 0.228 389 L C 0.934 177.775 176.870 -0.049 0.000 1.133 389 L CA 0.123 54.934 54.840 -0.048 0.000 0.880 389 L CB -0.181 41.839 42.059 -0.065 0.000 1.033 389 L HN 0.205 nan 8.230 nan 0.000 0.450 390 G N 0.774 109.547 108.800 -0.044 0.000 2.149 390 G HA2 -0.252 3.709 3.960 0.001 0.000 0.235 390 G HA3 -0.252 3.709 3.960 0.001 0.000 0.235 390 G C -0.190 174.669 174.900 -0.068 0.000 1.018 390 G CA -0.202 44.877 45.100 -0.036 0.000 0.728 390 G HN 0.206 nan 8.290 nan 0.000 0.508 391 L N 1.314 122.473 121.223 -0.106 0.000 2.343 391 L HA 0.681 5.022 4.340 0.001 0.000 0.278 391 L C 0.187 176.993 176.870 -0.107 0.000 0.996 391 L CA -0.606 54.124 54.840 -0.183 0.000 0.831 391 L CB 1.783 43.678 42.059 -0.273 0.000 1.232 391 L HN 0.193 nan 8.230 nan 0.000 0.413 392 S N 6.209 121.870 115.700 -0.066 0.000 2.465 392 S HA 0.615 5.085 4.470 0.001 0.000 0.279 392 S C -0.134 174.504 174.600 0.063 0.000 1.201 392 S CA -0.550 57.658 58.200 0.013 0.000 1.053 392 S CB 0.289 63.511 63.200 0.037 0.000 0.953 392 S HN 0.560 nan 8.310 nan 0.000 0.488 393 M N 3.883 123.538 119.600 0.092 0.000 2.719 393 M HA 0.489 4.969 4.480 0.001 0.000 0.291 393 M C -0.516 175.902 176.300 0.195 0.000 1.264 393 M CA -0.752 54.651 55.300 0.172 0.000 0.811 393 M CB 1.792 34.494 32.600 0.171 0.000 1.756 393 M HN 0.736 nan 8.290 nan 0.000 0.464 394 N N 0.701 119.548 118.700 0.246 0.000 2.425 394 N HA 0.509 5.250 4.740 0.001 0.000 0.289 394 N C -2.236 173.293 175.510 0.032 0.000 1.074 394 N CA -0.293 52.823 53.050 0.111 0.000 0.905 394 N CB 2.666 41.183 38.487 0.050 0.000 1.586 394 N HN 0.723 nan 8.380 nan 0.000 0.490 395 I N 3.880 124.350 120.570 -0.166 0.000 2.404 395 I HA 0.425 4.596 4.170 0.001 0.000 0.293 395 I C -0.627 175.333 176.117 -0.262 0.000 0.992 395 I CA -0.753 60.282 61.300 -0.441 0.000 1.149 395 I CB 1.473 39.004 38.000 -0.783 0.000 1.315 395 I HN 0.297 nan 8.210 nan 0.000 0.446 396 V N 3.840 123.617 119.914 -0.230 0.000 2.581 396 V HA 0.642 4.762 4.120 0.001 0.000 0.303 396 V C -0.737 175.269 176.094 -0.147 0.000 1.041 396 V CA -0.577 61.622 62.300 -0.168 0.000 0.907 396 V CB 1.480 33.214 31.823 -0.148 0.000 0.994 396 V HN 0.824 nan 8.190 nan 0.000 0.442 397 Q N 3.507 123.239 119.800 -0.114 0.000 2.309 397 Q HA 0.737 5.078 4.340 0.001 0.000 0.270 397 Q C -1.597 174.377 176.000 -0.044 0.000 1.023 397 Q CA -0.289 55.468 55.803 -0.078 0.000 0.758 397 Q CB 1.640 30.331 28.738 -0.080 0.000 1.247 397 Q HN 0.954 nan 8.270 nan 0.000 0.455 398 L N 4.861 126.075 121.223 -0.016 0.000 2.333 398 L HA 0.727 5.067 4.340 0.001 0.000 0.263 398 L C -2.109 174.779 176.870 0.030 0.000 1.014 398 L CA -2.442 52.405 54.840 0.011 0.000 0.820 398 L CB 2.208 44.278 42.059 0.019 0.000 1.352 398 L HN 0.633 nan 8.230 nan 0.000 0.421 399 P HA 0.046 nan 4.420 nan 0.000 0.268 399 P C 0.630 177.964 177.300 0.057 0.000 1.205 399 P CA 0.560 63.685 63.100 0.042 0.000 0.771 399 P CB 0.929 32.656 31.700 0.044 0.000 0.858 400 G N 1.244 110.072 108.800 0.046 0.000 2.168 400 G HA2 -0.280 3.681 3.960 0.001 0.000 0.263 400 G HA3 -0.280 3.681 3.960 0.001 0.000 0.263 400 G C -0.074 174.866 174.900 0.066 0.000 0.977 400 G CA 0.529 45.656 45.100 0.045 0.000 0.659 400 G HN 0.663 nan 8.290 nan 0.000 0.533 401 M N 0.114 119.764 119.600 0.083 0.000 2.619 401 M HA 0.643 5.124 4.480 0.001 0.000 0.297 401 M C 0.730 177.080 176.300 0.083 0.000 1.229 401 M CA -0.088 55.288 55.300 0.127 0.000 0.860 401 M CB 1.625 34.340 32.600 0.192 0.000 1.741 401 M HN 0.299 nan 8.290 nan 0.000 0.462 402 G N 0.645 109.508 108.800 0.105 0.000 2.599 402 G HA2 0.502 4.462 3.960 0.001 0.000 0.264 402 G HA3 0.502 4.462 3.960 0.001 0.000 0.264 402 G C -0.089 174.819 174.900 0.013 0.000 1.200 402 G CA -0.495 44.641 45.100 0.060 0.000 0.896 402 G HN 0.900 nan 8.290 nan 0.000 0.536 403 G N -1.568 107.204 108.800 -0.047 0.000 2.432 403 G HA2 0.415 4.376 3.960 0.001 0.000 0.239 403 G HA3 0.415 4.376 3.960 0.001 0.000 0.239 403 G C -0.500 174.302 174.900 -0.164 0.000 1.291 403 G CA -0.114 44.902 45.100 -0.140 0.000 0.863 403 G HN 0.662 nan 8.290 nan 0.000 0.560 404 V N 2.918 122.710 119.914 -0.203 0.000 2.444 404 V HA 0.318 4.439 4.120 0.001 0.000 0.294 404 V C -0.595 175.361 176.094 -0.230 0.000 1.022 404 V CA -0.772 61.439 62.300 -0.149 0.000 0.850 404 V CB 1.201 32.987 31.823 -0.063 0.000 0.992 404 V HN 0.563 nan 8.190 nan 0.000 0.426 405 F N 4.080 124.018 119.950 -0.020 0.000 2.456 405 F HA 0.442 4.969 4.527 0.001 0.000 0.358 405 F C 1.137 176.924 175.800 -0.023 0.000 1.095 405 F CA -0.142 57.848 58.000 -0.016 0.000 1.216 405 F CB 0.692 39.691 39.000 -0.002 0.000 1.125 405 F HN 0.294 nan 8.300 nan 0.000 0.549 406 R N 5.268 125.856 120.500 0.147 0.000 2.215 406 R HA 0.484 4.825 4.340 0.001 0.000 0.336 406 R C -0.947 175.403 176.300 0.083 0.000 0.996 406 R CA -0.416 55.722 56.100 0.063 0.000 0.847 406 R CB 0.940 31.241 30.300 0.002 0.000 1.127 406 R HN 0.575 nan 8.270 nan 0.000 0.465 407 I N 2.361 122.954 120.570 0.038 0.000 2.328 407 I HA 0.363 4.533 4.170 0.001 0.000 0.287 407 I C 0.028 176.061 176.117 -0.139 0.000 1.012 407 I CA -0.460 60.822 61.300 -0.031 0.000 1.195 407 I CB 1.754 39.735 38.000 -0.031 0.000 1.350 407 I HN 0.617 nan 8.210 nan 0.000 0.464 408 A N 8.170 130.889 122.820 -0.169 0.000 3.156 408 A HA 0.616 4.937 4.320 0.001 0.000 0.311 408 A C -2.805 174.651 177.584 -0.214 0.000 1.129 408 A CA -1.231 50.701 52.037 -0.175 0.000 0.809 408 A CB 0.232 19.177 19.000 -0.092 0.000 1.257 408 A HN 0.310 nan 8.150 nan 0.000 0.491 409 P HA 0.382 nan 4.420 nan 0.000 0.274 409 P C -2.717 174.473 177.300 -0.183 0.000 1.246 409 P CA -1.358 61.546 63.100 -0.326 0.000 0.795 409 P CB -0.080 31.272 31.700 -0.580 0.000 1.006 410 P HA 0.050 nan 4.420 nan 0.000 0.267 410 P C 0.805 178.056 177.300 -0.082 0.000 1.201 410 P CA 0.381 63.426 63.100 -0.092 0.000 0.775 410 P CB 0.181 31.842 31.700 -0.065 0.000 0.854 411 L N 1.094 122.277 121.223 -0.066 0.000 2.465 411 L HA -0.069 4.272 4.340 0.001 0.000 0.224 411 L C 1.680 178.533 176.870 -0.028 0.000 1.145 411 L CA 1.366 56.172 54.840 -0.057 0.000 0.834 411 L CB -1.113 40.911 42.059 -0.058 0.000 0.944 411 L HN 0.474 nan 8.230 nan 0.000 0.451 412 T N -3.704 110.846 114.554 -0.006 0.000 3.144 412 T HA 0.110 4.461 4.350 0.001 0.000 0.249 412 T C 0.642 175.356 174.700 0.024 0.000 1.089 412 T CA -0.244 61.873 62.100 0.029 0.000 0.989 412 T CB -0.189 68.725 68.868 0.077 0.000 0.992 412 T HN 0.023 nan 8.240 nan 0.000 0.540 413 V N 3.826 123.739 119.914 -0.003 0.000 2.673 413 V HA 0.368 4.489 4.120 0.001 0.000 0.303 413 V C 0.637 176.747 176.094 0.026 0.000 1.046 413 V CA -0.315 61.988 62.300 0.006 0.000 1.126 413 V CB 0.591 32.394 31.823 -0.034 0.000 0.934 413 V HN 0.783 nan 8.190 nan 0.000 0.487 414 S N 3.737 119.469 115.700 0.054 0.000 2.669 414 S HA 0.359 4.829 4.470 0.001 0.000 0.270 414 S C 0.796 175.431 174.600 0.059 0.000 1.225 414 S CA -0.074 58.161 58.200 0.058 0.000 0.991 414 S CB 1.259 64.506 63.200 0.079 0.000 0.987 414 S HN 0.793 nan 8.310 nan 0.000 0.552 415 E N 0.539 120.769 120.200 0.049 0.000 2.077 415 E HA -0.131 4.220 4.350 0.001 0.000 0.193 415 E C 1.196 177.833 176.600 0.062 0.000 0.989 415 E CA 1.624 58.053 56.400 0.047 0.000 0.800 415 E CB -0.117 29.604 29.700 0.036 0.000 0.746 415 E HN 0.657 nan 8.360 nan 0.000 0.452 416 D N 0.221 120.662 120.400 0.068 0.000 2.178 416 D HA -0.133 4.507 4.640 0.001 0.000 0.201 416 D C 1.506 177.865 176.300 0.100 0.000 0.980 416 D CA 0.881 54.926 54.000 0.076 0.000 0.842 416 D CB -0.040 40.807 40.800 0.077 0.000 0.948 416 D HN 0.286 nan 8.370 nan 0.000 0.472 417 E N -0.121 120.151 120.200 0.119 0.000 2.112 417 E HA -0.063 4.287 4.350 0.001 0.000 0.190 417 E C 2.035 178.737 176.600 0.170 0.000 0.979 417 E CA 0.137 56.619 56.400 0.136 0.000 0.814 417 E CB 0.248 30.018 29.700 0.117 0.000 0.762 417 E HN 0.155 nan 8.360 nan 0.000 0.460 418 I N 1.889 122.563 120.570 0.173 0.000 2.252 418 I HA -0.222 3.949 4.170 0.001 0.000 0.245 418 I C 1.606 177.829 176.117 0.177 0.000 1.102 418 I CA 1.400 62.840 61.300 0.234 0.000 1.385 418 I CB -0.852 37.214 38.000 0.110 0.000 1.064 418 I HN 0.075 nan 8.210 nan 0.000 0.414 419 D N 0.481 120.941 120.400 0.100 0.000 2.117 419 D HA -0.154 4.486 4.640 0.001 0.000 0.198 419 D C 2.146 178.466 176.300 0.032 0.000 0.982 419 D CA 0.773 54.810 54.000 0.062 0.000 0.828 419 D CB -0.316 40.513 40.800 0.048 0.000 0.967 419 D HN 0.170 nan 8.370 nan 0.000 0.464 420 L N 1.004 122.243 121.223 0.028 0.000 2.017 420 L HA -0.015 4.326 4.340 0.001 0.000 0.208 420 L C 2.150 178.949 176.870 -0.119 0.000 1.073 420 L CA 2.181 57.012 54.840 -0.015 0.000 0.745 420 L CB -1.031 41.046 42.059 0.030 0.000 0.894 420 L HN 0.057 nan 8.230 nan 0.000 0.432 421 G N -0.446 108.224 108.800 -0.215 0.000 2.418 421 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 421 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 421 G C 1.639 176.387 174.900 -0.253 0.000 1.158 421 G CA 1.056 45.815 45.100 -0.568 0.000 0.771 421 G HN 0.443 nan 8.290 nan 0.000 0.545 422 L N 0.579 121.782 121.223 -0.034 0.000 2.083 422 L HA -0.102 4.239 4.340 0.001 0.000 0.209 422 L C 3.131 179.988 176.870 -0.021 0.000 1.083 422 L CA 1.345 56.192 54.840 0.012 0.000 0.752 422 L CB -0.351 41.741 42.059 0.055 0.000 0.899 422 L HN 0.367 nan 8.230 nan 0.000 0.433 423 S N 0.053 115.735 115.700 -0.031 0.000 2.345 423 S HA -0.125 4.346 4.470 0.001 0.000 0.220 423 S C 1.994 176.563 174.600 -0.051 0.000 1.031 423 S CA 1.092 59.278 58.200 -0.023 0.000 0.996 423 S CB -0.211 62.979 63.200 -0.017 0.000 0.882 423 S HN 0.309 nan 8.310 nan 0.000 0.445 424 L N 1.196 122.360 121.223 -0.100 0.000 2.083 424 L HA -0.066 4.275 4.340 0.001 0.000 0.209 424 L C 2.589 179.375 176.870 -0.140 0.000 1.083 424 L CA 1.001 55.769 54.840 -0.121 0.000 0.752 424 L CB -0.579 41.381 42.059 -0.165 0.000 0.899 424 L HN 0.374 nan 8.230 nan 0.000 0.433 425 L N -0.000 121.123 121.223 -0.166 0.000 2.017 425 L HA -0.147 4.193 4.340 0.001 0.000 0.208 425 L C 2.495 179.279 176.870 -0.142 0.000 1.073 425 L CA 1.821 56.547 54.840 -0.190 0.000 0.745 425 L CB -0.780 41.170 42.059 -0.181 0.000 0.894 425 L HN 0.323 nan 8.230 nan 0.000 0.432 426 G N -1.078 107.697 108.800 -0.042 0.000 2.440 426 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 426 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 426 G C 1.393 176.304 174.900 0.018 0.000 1.154 426 G CA 0.497 45.638 45.100 0.070 0.000 0.767 426 G HN 0.464 nan 8.290 nan 0.000 0.552 427 Q N 0.096 119.890 119.800 -0.010 0.000 2.119 427 Q HA 0.033 4.373 4.340 0.001 0.000 0.201 427 Q C 3.009 178.968 176.000 -0.068 0.000 0.972 427 Q CA 1.116 56.908 55.803 -0.017 0.000 0.847 427 Q CB -0.230 28.493 28.738 -0.024 0.000 0.903 427 Q HN 0.489 nan 8.270 nan 0.000 0.433 428 A N 0.863 123.616 122.820 -0.113 0.000 1.898 428 A HA -0.155 4.165 4.320 0.001 0.000 0.216 428 A C 2.010 179.490 177.584 -0.173 0.000 1.181 428 A CA 1.048 53.007 52.037 -0.130 0.000 0.620 428 A CB -0.527 18.380 19.000 -0.155 0.000 0.819 428 A HN 0.287 nan 8.150 nan 0.000 0.442 429 I N -0.944 119.455 120.570 -0.285 0.000 2.252 429 I HA -0.230 3.941 4.170 0.001 0.000 0.245 429 I C 2.517 178.393 176.117 -0.401 0.000 1.102 429 I CA 1.623 62.646 61.300 -0.462 0.000 1.385 429 I CB -0.368 37.071 38.000 -0.934 0.000 1.064 429 I HN 0.450 nan 8.210 nan 0.000 0.414 430 E N 1.348 121.385 120.200 -0.273 0.000 2.070 430 E HA -0.270 4.081 4.350 0.001 0.000 0.197 430 E C 2.232 178.812 176.600 -0.033 0.000 1.004 430 E CA 1.653 58.035 56.400 -0.030 0.000 0.805 430 E CB 0.012 29.767 29.700 0.092 0.000 0.744 430 E HN 0.469 nan 8.360 nan 0.000 0.451 431 R N -0.499 119.970 120.500 -0.051 0.000 2.275 431 R HA 0.186 4.526 4.340 0.001 0.000 0.199 431 R C 1.929 178.205 176.300 -0.040 0.000 0.989 431 R CA 0.785 56.865 56.100 -0.033 0.000 1.016 431 R CB 0.104 30.387 30.300 -0.028 0.000 0.918 431 R HN 0.046 nan 8.270 nan 0.000 0.473 432 A N 1.736 124.516 122.820 -0.067 0.000 2.021 432 A HA 0.195 4.515 4.320 0.001 0.000 0.216 432 A C 1.247 178.806 177.584 -0.042 0.000 1.163 432 A CA 0.170 52.175 52.037 -0.053 0.000 0.676 432 A CB -0.090 18.871 19.000 -0.065 0.000 0.818 432 A HN 0.173 nan 8.150 nan 0.000 0.453 433 L N 0.000 121.193 121.223 -0.049 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 433 L CB 0.000 42.059 42.059 0.000 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502