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 3c4m_1_A DATA FIRST_RESID -344 DATA SEQUENCE AKIEEGKLVI WINGDKGYNG LAEVGKKFEK DTGIKVTVEH PDKLEEKFPQ DATA SEQUENCE VAATGDGPDI IFWAHDRFGG YAQSGLLAEI TPDKAFQDKL YPFTWDAVRY DATA SEQUENCE NGKLIAYPIA VEALSLIYNK DLLPNPPKTW EEIPALDKEL KAKGKSALMF DATA SEQUENCE NLQEPYFTWP LIAADGGYAF KYENGKYDIK DVGVDNAGAK AGLTFLVDLI DATA SEQUENCE KNKHMNADTD YSIAEAAFNK GETAMTINGP WAWSNIDTSK VNYGVTVLPT DATA SEQUENCE FKGQPSKPFV GVLSAGINAA SPNKELAKEF LENYLLTDEG LEAVNKDKPL DATA SEQUENCE GAVALKSYEE ELAKDPRIAA TMENAQKGEI MPNIPQMSAF WYAVRTAVIN DATA SEQUENCE AASGRQTVDE ALKDAQTNAA AEFDDVMTKE EQIFLLHRAQ AQcEKRLKEV DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE RPcLPEWDHI LcWPLGAPGE VVAVPcPDYI YDFNHKGHAY RRcDRNGSWE DATA SEQUENCE LVPGHNRTWA NYSEcVKFL 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 -344 A HA 0.000 nan 4.320 nan 0.000 0.244 -344 A C 0.000 177.625 177.584 0.068 0.000 1.274 -344 A CA 0.000 52.069 52.037 0.054 0.000 0.836 -344 A CB 0.000 19.035 19.000 0.059 0.000 0.831 -343 K N 2.503 122.922 120.400 0.032 0.000 2.203 -343 K HA 0.726 5.049 4.320 0.005 0.000 0.251 -343 K C -0.490 176.105 176.600 -0.008 0.000 0.944 -343 K CA -0.843 55.454 56.287 0.016 0.000 0.829 -343 K CB 1.142 33.647 32.500 0.009 0.000 1.125 -343 K HN 0.702 nan 8.250 nan 0.000 0.430 -342 I N 2.621 123.173 120.570 -0.030 0.000 2.775 -342 I HA -0.075 4.098 4.170 0.005 0.000 0.290 -342 I C 0.255 176.354 176.117 -0.029 0.000 1.203 -342 I CA 1.043 62.317 61.300 -0.043 0.000 1.433 -342 I CB 0.366 38.329 38.000 -0.061 0.000 1.354 -342 I HN 0.624 nan 8.210 nan 0.000 0.579 -341 E N 5.547 125.731 120.200 -0.026 0.000 2.321 -341 E HA 0.194 4.547 4.350 0.005 0.000 0.278 -341 E C -1.058 175.532 176.600 -0.017 0.000 0.902 -341 E CA -0.753 55.636 56.400 -0.019 0.000 0.758 -341 E CB 1.632 31.323 29.700 -0.014 0.000 1.213 -341 E HN 0.536 nan 8.360 nan 0.000 0.426 -340 E N 1.426 121.618 120.200 -0.014 0.000 2.415 -340 E HA 0.186 4.539 4.350 0.005 0.000 0.263 -340 E C 0.514 177.111 176.600 -0.006 0.000 0.995 -340 E CA 1.366 57.761 56.400 -0.009 0.000 0.915 -340 E CB 0.375 30.071 29.700 -0.008 0.000 0.951 -340 E HN 0.797 nan 8.360 nan 0.000 0.449 -339 G N 3.674 112.474 108.800 0.000 0.000 2.157 -339 G HA2 -0.274 3.689 3.960 0.005 0.000 0.239 -339 G HA3 -0.274 3.689 3.960 0.005 0.000 0.239 -339 G C -0.215 174.689 174.900 0.006 0.000 0.982 -339 G CA 0.569 45.671 45.100 0.003 0.000 0.650 -339 G HN 0.617 nan 8.290 nan 0.000 0.527 -338 K N -0.955 119.447 120.400 0.003 0.000 2.533 -338 K HA 0.861 5.184 4.320 0.005 0.000 0.272 -338 K C -0.962 175.626 176.600 -0.021 0.000 0.985 -338 K CA -1.338 54.950 56.287 0.002 0.000 0.876 -338 K CB 1.613 34.109 32.500 -0.007 0.000 1.452 -338 K HN 0.163 nan 8.250 nan 0.000 0.439 -337 L N 1.642 122.836 121.223 -0.049 0.000 2.362 -337 L HA 0.535 4.878 4.340 0.005 0.000 0.275 -337 L C -1.020 175.781 176.870 -0.114 0.000 0.998 -337 L CA -1.357 53.412 54.840 -0.117 0.000 0.820 -337 L CB 2.143 44.057 42.059 -0.242 0.000 1.270 -337 L HN 0.411 nan 8.230 nan 0.000 0.415 -336 V N 4.564 124.416 119.914 -0.104 0.000 2.435 -336 V HA 0.503 4.626 4.120 0.005 0.000 0.290 -336 V C -0.006 176.038 176.094 -0.083 0.000 1.030 -336 V CA -0.338 61.923 62.300 -0.065 0.000 0.881 -336 V CB 1.984 33.778 31.823 -0.049 0.000 0.983 -336 V HN 0.507 nan 8.190 nan 0.000 0.445 -335 I N 3.492 124.070 120.570 0.014 0.000 2.509 -335 I HA 0.458 4.631 4.170 0.005 0.000 0.293 -335 I C -1.157 175.156 176.117 0.326 0.000 1.020 -335 I CA -0.444 60.918 61.300 0.104 0.000 1.088 -335 I CB 2.236 40.294 38.000 0.097 0.000 1.267 -335 I HN 0.506 nan 8.210 nan 0.000 0.430 -334 W N 6.973 128.330 121.300 0.094 0.000 2.520 -334 W HA 0.710 5.373 4.660 0.005 0.000 0.323 -334 W C -0.340 176.284 176.519 0.175 0.000 1.062 -334 W CA -0.982 56.412 57.345 0.082 0.000 1.215 -334 W CB 1.322 30.805 29.460 0.039 0.000 1.340 -334 W HN 0.219 nan 8.180 nan 0.000 0.516 -333 I N 2.713 123.462 120.570 0.298 0.000 3.006 -333 I HA 0.308 4.481 4.170 0.005 0.000 0.306 -333 I C -0.416 175.786 176.117 0.141 0.000 1.250 -333 I CA -0.903 60.525 61.300 0.213 0.000 0.996 -333 I CB 1.915 39.897 38.000 -0.030 0.000 1.261 -333 I HN 0.227 nan 8.210 nan 0.000 0.442 -332 N N 2.780 121.542 118.700 0.103 0.000 2.479 -332 N HA 0.215 4.958 4.740 0.005 0.000 0.257 -332 N C 0.957 176.439 175.510 -0.045 0.000 1.232 -332 N CA 1.003 54.067 53.050 0.024 0.000 0.920 -332 N CB 1.564 39.958 38.487 -0.154 0.000 1.105 -332 N HN 0.737 nan 8.380 nan 0.000 0.444 -331 G N 0.845 109.603 108.800 -0.069 0.000 2.559 -331 G HA2 -0.221 3.741 3.960 0.005 0.000 0.216 -331 G HA3 -0.221 3.741 3.960 0.005 0.000 0.216 -331 G C 0.663 175.531 174.900 -0.053 0.000 1.126 -331 G CA 0.839 45.868 45.100 -0.117 0.000 0.778 -331 G HN 0.809 nan 8.290 nan 0.000 0.543 -330 D N -0.424 119.861 120.400 -0.192 0.000 2.349 -330 D HA 0.060 4.703 4.640 0.005 0.000 0.215 -330 D C 0.997 177.192 176.300 -0.174 0.000 1.016 -330 D CA 0.283 54.139 54.000 -0.241 0.000 0.870 -330 D CB 0.227 40.690 40.800 -0.562 0.000 0.917 -330 D HN 0.013 nan 8.370 nan 0.000 0.524 -329 K N 0.225 120.539 120.400 -0.144 0.000 2.177 -329 K HA 0.529 4.852 4.320 0.005 0.000 0.238 -329 K C 0.910 177.460 176.600 -0.084 0.000 1.015 -329 K CA -0.720 55.508 56.287 -0.099 0.000 0.922 -329 K CB 0.578 32.998 32.500 -0.133 0.000 1.127 -329 K HN 0.021 nan 8.250 nan 0.000 0.469 -328 G N 1.763 110.508 108.800 -0.091 0.000 3.197 -328 G HA2 0.070 4.033 3.960 0.005 0.000 0.257 -328 G HA3 0.070 4.033 3.960 0.005 0.000 0.257 -328 G C 0.775 175.587 174.900 -0.146 0.000 0.835 -328 G CA -0.131 44.879 45.100 -0.149 0.000 2.001 -328 G HN 0.597 nan 8.290 nan 0.000 0.625 -327 Y N -0.460 119.774 120.300 -0.110 0.000 2.352 -327 Y HA -0.082 4.471 4.550 0.005 0.000 0.292 -327 Y C 2.024 177.903 175.900 -0.035 0.000 1.136 -327 Y CA 1.145 59.192 58.100 -0.089 0.000 1.227 -327 Y CB -0.504 37.911 38.460 -0.074 0.000 0.991 -327 Y HN 0.370 nan 8.280 nan 0.000 0.545 -326 N N 0.651 119.219 118.700 -0.221 0.000 2.171 -326 N HA -0.032 4.711 4.740 0.005 0.000 0.184 -326 N C 2.212 177.706 175.510 -0.026 0.000 1.021 -326 N CA 0.942 53.947 53.050 -0.075 0.000 0.854 -326 N CB -0.474 37.912 38.487 -0.168 0.000 0.994 -326 N HN 0.530 nan 8.380 nan 0.000 0.426 -325 G N 1.261 110.026 108.800 -0.059 0.000 2.440 -325 G HA2 -0.225 3.738 3.960 0.005 0.000 0.218 -325 G HA3 -0.225 3.738 3.960 0.005 0.000 0.218 -325 G C 1.422 176.336 174.900 0.022 0.000 1.154 -325 G CA 0.444 45.537 45.100 -0.013 0.000 0.767 -325 G HN 0.136 nan 8.290 nan 0.000 0.552 -324 L N 1.357 122.588 121.223 0.015 0.000 2.083 -324 L HA 0.141 4.484 4.340 0.005 0.000 0.209 -324 L C 3.028 179.969 176.870 0.118 0.000 1.083 -324 L CA 1.951 56.823 54.840 0.053 0.000 0.752 -324 L CB -0.673 41.366 42.059 -0.033 0.000 0.899 -324 L HN 0.243 nan 8.230 nan 0.000 0.433 -323 A N -1.001 121.878 122.820 0.099 0.000 1.969 -323 A HA -0.182 4.140 4.320 0.005 0.000 0.218 -323 A C 2.090 179.740 177.584 0.111 0.000 1.169 -323 A CA 1.463 53.563 52.037 0.106 0.000 0.635 -323 A CB -0.497 18.569 19.000 0.110 0.000 0.810 -323 A HN 0.602 nan 8.150 nan 0.000 0.445 -322 E N -0.132 120.125 120.200 0.095 0.000 2.077 -322 E HA -0.141 4.212 4.350 0.005 0.000 0.193 -322 E C 1.923 178.606 176.600 0.137 0.000 0.989 -322 E CA 1.381 57.839 56.400 0.096 0.000 0.800 -322 E CB -0.346 29.393 29.700 0.066 0.000 0.746 -322 E HN 0.435 nan 8.360 nan 0.000 0.452 -321 V N 1.078 121.089 119.914 0.161 0.000 2.343 -321 V HA -0.198 3.924 4.120 0.005 0.000 0.247 -321 V C 2.430 178.749 176.094 0.375 0.000 1.051 -321 V CA 1.956 64.392 62.300 0.227 0.000 1.036 -321 V CB -1.158 30.766 31.823 0.169 0.000 0.654 -321 V HN 0.416 nan 8.190 nan 0.000 0.451 -320 G N -0.364 108.652 108.800 0.360 0.000 2.469 -320 G HA2 -0.347 3.616 3.960 0.005 0.000 0.219 -320 G HA3 -0.347 3.616 3.960 0.005 0.000 0.219 -320 G C 1.656 176.690 174.900 0.223 0.000 1.150 -320 G CA 1.242 46.500 45.100 0.264 0.000 0.763 -320 G HN 0.497 nan 8.290 nan 0.000 0.561 -319 K N 0.365 120.867 120.400 0.169 0.000 2.057 -319 K HA -0.127 4.196 4.320 0.005 0.000 0.207 -319 K C 2.458 179.142 176.600 0.140 0.000 1.049 -319 K CA 1.628 57.990 56.287 0.125 0.000 0.931 -319 K CB -0.104 32.454 32.500 0.098 0.000 0.714 -319 K HN 0.243 nan 8.250 nan 0.000 0.440 -318 K N 0.288 120.802 120.400 0.190 0.000 2.057 -318 K HA -0.152 4.171 4.320 0.005 0.000 0.206 -318 K C 1.818 178.554 176.600 0.227 0.000 1.050 -318 K CA 1.355 57.773 56.287 0.219 0.000 0.935 -318 K CB -0.554 32.109 32.500 0.272 0.000 0.715 -318 K HN 0.112 nan 8.250 nan 0.000 0.439 -317 F N 2.022 121.972 119.950 0.000 0.000 2.120 -317 F HA -0.172 4.358 4.527 0.004 0.000 0.300 -317 F C 2.183 177.899 175.800 -0.140 0.000 1.095 -317 F CA 2.186 59.999 58.000 -0.311 0.000 1.249 -317 F CB -0.304 38.575 39.000 -0.202 0.000 0.995 -317 F HN 0.331 nan 8.300 nan 0.000 0.480 -316 E N 0.026 120.234 120.200 0.014 0.000 2.107 -316 E HA -0.245 4.107 4.350 0.005 0.000 0.191 -316 E C 2.332 178.888 176.600 -0.073 0.000 0.982 -316 E CA 1.040 57.404 56.400 -0.060 0.000 0.809 -316 E CB -0.191 29.521 29.700 0.019 0.000 0.756 -316 E HN 0.416 nan 8.360 nan 0.000 0.459 -315 K N 0.245 120.637 120.400 -0.012 0.000 2.032 -315 K HA -0.183 4.140 4.320 0.005 0.000 0.209 -315 K C 1.550 178.137 176.600 -0.022 0.000 1.048 -315 K CA 1.988 58.276 56.287 0.002 0.000 0.927 -315 K CB 0.070 32.597 32.500 0.045 0.000 0.712 -315 K HN 0.072 nan 8.250 nan 0.000 0.441 -314 D N -0.952 119.430 120.400 -0.031 0.000 2.137 -314 D HA -0.091 4.552 4.640 0.005 0.000 0.202 -314 D C 1.782 178.009 176.300 -0.122 0.000 0.970 -314 D CA 1.789 55.775 54.000 -0.023 0.000 0.837 -314 D CB 0.049 40.913 40.800 0.106 0.000 0.981 -314 D HN 0.457 nan 8.370 nan 0.000 0.475 -313 T N -4.480 109.902 114.554 -0.288 0.000 2.971 -313 T HA 0.369 4.722 4.350 0.005 0.000 0.252 -313 T C 1.682 176.233 174.700 -0.249 0.000 1.022 -313 T CA 0.689 62.581 62.100 -0.346 0.000 0.980 -313 T CB 0.862 69.292 68.868 -0.730 0.000 1.044 -313 T HN 0.163 nan 8.240 nan 0.000 0.501 -312 G N 1.850 110.530 108.800 -0.201 0.000 2.184 -312 G HA2 -0.184 3.778 3.960 0.005 0.000 0.264 -312 G HA3 -0.184 3.778 3.960 0.005 0.000 0.264 -312 G C -0.011 174.819 174.900 -0.116 0.000 0.975 -312 G CA 0.115 45.142 45.100 -0.123 0.000 0.642 -312 G HN 0.566 nan 8.290 nan 0.000 0.536 -311 I N 1.595 122.054 120.570 -0.185 0.000 2.337 -311 I HA 0.264 4.437 4.170 0.005 0.000 0.291 -311 I C 0.873 176.996 176.117 0.011 0.000 1.046 -311 I CA -0.656 60.597 61.300 -0.078 0.000 1.324 -311 I CB 0.796 38.773 38.000 -0.037 0.000 1.409 -311 I HN 0.080 nan 8.210 nan 0.000 0.494 -310 K N 4.836 125.244 120.400 0.013 0.000 2.350 -310 K HA 0.427 4.750 4.320 0.005 0.000 0.279 -310 K C -0.614 175.997 176.600 0.020 0.000 1.027 -310 K CA -0.337 55.962 56.287 0.021 0.000 0.969 -310 K CB 1.294 33.798 32.500 0.006 0.000 0.954 -310 K HN 0.293 nan 8.250 nan 0.000 0.474 -309 V N 2.768 122.687 119.914 0.008 0.000 2.444 -309 V HA 0.194 4.317 4.120 0.005 0.000 0.294 -309 V C -0.365 175.705 176.094 -0.040 0.000 1.022 -309 V CA -0.767 61.493 62.300 -0.068 0.000 0.850 -309 V CB 1.884 33.613 31.823 -0.156 0.000 0.992 -309 V HN 0.759 nan 8.190 nan 0.000 0.426 -308 T N 4.556 119.086 114.554 -0.040 0.000 2.758 -308 T HA 0.528 4.881 4.350 0.005 0.000 0.285 -308 T C -0.267 174.443 174.700 0.017 0.000 0.981 -308 T CA -0.322 61.779 62.100 0.001 0.000 0.965 -308 T CB 1.472 70.348 68.868 0.014 0.000 0.927 -308 T HN 0.338 nan 8.240 nan 0.000 0.448 -307 V N 4.508 124.447 119.914 0.041 0.000 2.394 -307 V HA 0.430 4.553 4.120 0.005 0.000 0.282 -307 V C 0.181 176.313 176.094 0.064 0.000 1.031 -307 V CA -0.633 61.712 62.300 0.074 0.000 0.881 -307 V CB 1.324 33.203 31.823 0.094 0.000 0.982 -307 V HN 0.842 nan 8.190 nan 0.000 0.451 -306 E N 2.676 122.924 120.200 0.079 0.000 2.299 -306 E HA 0.583 4.936 4.350 0.005 0.000 0.265 -306 E C -1.244 175.256 176.600 -0.166 0.000 0.911 -306 E CA -0.820 55.517 56.400 -0.106 0.000 0.789 -306 E CB 2.243 31.884 29.700 -0.098 0.000 1.246 -306 E HN 0.990 nan 8.360 nan 0.000 0.427 -305 H N -1.373 117.474 119.070 -0.372 0.000 2.379 -305 H HA 0.376 4.934 4.556 0.004 0.000 0.229 -305 H C -2.775 172.320 175.328 -0.388 0.000 1.423 -305 H CA -2.273 53.545 56.048 -0.384 0.000 1.375 -305 H CB -0.420 29.027 29.762 -0.526 0.000 1.592 -305 H HN 0.121 nan 8.280 nan 0.000 0.507 -304 P HA 0.049 nan 4.420 nan 0.000 0.272 -304 P C 0.003 177.116 177.300 -0.311 0.000 1.223 -304 P CA -0.170 62.616 63.100 -0.523 0.000 0.784 -304 P CB 0.911 32.093 31.700 -0.864 0.000 0.923 -303 D N 1.906 122.170 120.400 -0.227 0.000 2.399 -303 D HA 0.006 4.649 4.640 0.005 0.000 0.241 -303 D C 0.490 176.700 176.300 -0.150 0.000 1.133 -303 D CA 0.227 54.144 54.000 -0.137 0.000 0.890 -303 D CB 0.191 40.929 40.800 -0.103 0.000 1.201 -303 D HN 0.353 nan 8.370 nan 0.000 0.432 -302 K N 0.370 120.711 120.400 -0.098 0.000 3.035 -302 K HA -0.232 4.091 4.320 0.005 0.000 0.262 -302 K C 1.269 177.767 176.600 -0.170 0.000 1.024 -302 K CA 0.076 56.292 56.287 -0.119 0.000 0.748 -302 K CB -1.409 31.036 32.500 -0.091 0.000 1.247 -302 K HN 0.376 nan 8.250 nan 0.000 0.482 -301 L N -0.229 120.886 121.223 -0.181 0.000 2.191 -301 L HA -0.155 4.188 4.340 0.005 0.000 0.212 -301 L C 2.317 179.133 176.870 -0.090 0.000 1.103 -301 L CA 2.064 56.816 54.840 -0.146 0.000 0.769 -301 L CB -0.432 41.585 42.059 -0.069 0.000 0.908 -301 L HN 0.315 nan 8.230 nan 0.000 0.438 -300 E N 1.024 120.958 120.200 -0.443 0.000 2.208 -300 E HA -0.234 4.119 4.350 0.005 0.000 0.193 -300 E C 1.601 178.086 176.600 -0.193 0.000 0.988 -300 E CA 1.678 57.730 56.400 -0.579 0.000 0.828 -300 E CB -0.414 28.313 29.700 -1.621 0.000 0.763 -300 E HN 0.824 nan 8.360 nan 0.000 0.478 -299 E N 0.730 120.833 120.200 -0.162 0.000 2.190 -299 E HA 0.005 4.358 4.350 0.005 0.000 0.191 -299 E C 2.070 178.661 176.600 -0.014 0.000 0.978 -299 E CA 0.324 56.686 56.400 -0.063 0.000 0.839 -299 E CB 0.059 29.717 29.700 -0.070 0.000 0.787 -299 E HN 0.163 nan 8.360 nan 0.000 0.473 -298 K N 0.746 121.150 120.400 0.007 0.000 2.097 -298 K HA -0.160 4.163 4.320 0.005 0.000 0.205 -298 K C 2.001 178.707 176.600 0.177 0.000 1.050 -298 K CA 0.854 57.185 56.287 0.073 0.000 0.938 -298 K CB -0.121 32.396 32.500 0.028 0.000 0.718 -298 K HN 0.015 nan 8.250 nan 0.000 0.442 -297 F N 2.913 122.915 119.950 0.086 0.000 2.043 -297 F HA -0.134 4.396 4.527 0.005 0.000 0.297 -297 F C -1.242 174.437 175.800 -0.201 0.000 1.121 -297 F CA 1.171 59.119 58.000 -0.086 0.000 1.199 -297 F CB -1.051 37.744 39.000 -0.342 0.000 0.968 -297 F HN 0.085 nan 8.300 nan 0.000 0.478 -296 P HA -0.149 nan 4.420 nan 0.000 0.226 -296 P C 1.050 178.174 177.300 -0.293 0.000 1.153 -296 P CA 1.508 64.334 63.100 -0.456 0.000 0.777 -296 P CB -0.228 31.389 31.700 -0.138 0.000 0.794 -295 Q N -0.178 119.514 119.800 -0.179 0.000 2.187 -295 Q HA -0.026 4.317 4.340 0.005 0.000 0.199 -295 Q C 1.993 177.918 176.000 -0.124 0.000 0.957 -295 Q CA 1.462 57.194 55.803 -0.118 0.000 0.857 -295 Q CB -0.110 28.593 28.738 -0.060 0.000 0.929 -295 Q HN 0.254 nan 8.270 nan 0.000 0.453 -294 V N -4.588 115.243 119.914 -0.138 0.000 3.645 -294 V HA 0.393 4.516 4.120 0.005 0.000 0.275 -294 V C 1.827 177.820 176.094 -0.168 0.000 1.356 -294 V CA 0.581 62.826 62.300 -0.093 0.000 1.051 -294 V CB 0.035 31.879 31.823 0.034 0.000 0.828 -294 V HN 0.144 nan 8.190 nan 0.000 0.441 -293 A N 1.573 124.191 122.820 -0.337 0.000 1.908 -293 A HA -0.027 4.296 4.320 0.005 0.000 0.218 -293 A C 2.409 179.854 177.584 -0.231 0.000 1.181 -293 A CA 2.563 54.373 52.037 -0.379 0.000 0.627 -293 A CB -0.997 17.561 19.000 -0.738 0.000 0.818 -293 A HN 1.121 nan 8.150 nan 0.000 0.445 -292 A N -0.558 122.137 122.820 -0.207 0.000 2.067 -292 A HA -0.005 4.318 4.320 0.005 0.000 0.219 -292 A C 2.187 179.711 177.584 -0.099 0.000 1.158 -292 A CA 2.085 54.039 52.037 -0.138 0.000 0.661 -292 A CB -1.043 17.883 19.000 -0.124 0.000 0.801 -292 A HN 0.775 nan 8.150 nan 0.000 0.452 -291 T N -4.646 109.852 114.554 -0.094 0.000 3.100 -291 T HA 0.390 4.743 4.350 0.005 0.000 0.253 -291 T C 1.356 176.021 174.700 -0.057 0.000 1.118 -291 T CA 1.038 63.099 62.100 -0.064 0.000 1.058 -291 T CB 0.074 68.912 68.868 -0.051 0.000 0.953 -291 T HN 1.606 nan 8.240 nan 0.000 0.515 -290 G N 1.518 110.275 108.800 -0.072 0.000 2.132 -290 G HA2 -0.180 3.783 3.960 0.005 0.000 0.234 -290 G HA3 -0.180 3.783 3.960 0.005 0.000 0.234 -290 G C 0.215 175.083 174.900 -0.054 0.000 0.989 -290 G CA 0.151 45.214 45.100 -0.062 0.000 0.676 -290 G HN 0.536 nan 8.290 nan 0.000 0.522 -289 D N 0.488 120.856 120.400 -0.052 0.000 2.368 -289 D HA 0.285 4.928 4.640 0.005 0.000 0.218 -289 D C 1.552 177.836 176.300 -0.026 0.000 1.112 -289 D CA 0.763 54.757 54.000 -0.009 0.000 0.834 -289 D CB 0.403 41.220 40.800 0.028 0.000 0.953 -289 D HN 0.572 nan 8.370 nan 0.000 0.505 -288 G N 1.735 110.448 108.800 -0.146 0.000 2.547 -288 G HA2 0.404 4.367 3.960 0.005 0.000 0.291 -288 G HA3 0.404 4.367 3.960 0.005 0.000 0.291 -288 G C -2.427 172.164 174.900 -0.515 0.000 1.211 -288 G CA -0.860 44.030 45.100 -0.350 0.000 0.950 -288 G HN -0.084 nan 8.290 nan 0.000 0.504 -287 P HA 0.222 nan 4.420 nan 0.000 0.278 -287 P C -0.124 176.948 177.300 -0.379 0.000 1.266 -287 P CA -0.439 62.210 63.100 -0.752 0.000 0.807 -287 P CB 1.699 32.699 31.700 -1.166 0.000 1.094 -286 D N -0.289 119.960 120.400 -0.252 0.000 2.149 -286 D HA 0.035 4.677 4.640 0.005 0.000 0.201 -286 D C 0.647 176.847 176.300 -0.166 0.000 0.972 -286 D CA 1.486 55.389 54.000 -0.163 0.000 0.835 -286 D CB 0.272 40.997 40.800 -0.125 0.000 0.966 -286 D HN 0.338 nan 8.370 nan 0.000 0.476 -285 I N 0.968 121.429 120.570 -0.181 0.000 2.498 -285 I HA 0.343 4.516 4.170 0.005 0.000 0.290 -285 I C -0.640 175.404 176.117 -0.122 0.000 1.032 -285 I CA -0.792 60.429 61.300 -0.131 0.000 1.073 -285 I CB 3.134 41.114 38.000 -0.033 0.000 1.251 -285 I HN -0.194 nan 8.210 nan 0.000 0.426 -284 I N 5.406 125.871 120.570 -0.175 0.000 2.436 -284 I HA 0.489 4.662 4.170 0.005 0.000 0.289 -284 I C -1.500 174.719 176.117 0.169 0.000 1.010 -284 I CA -0.381 60.880 61.300 -0.065 0.000 1.098 -284 I CB 1.234 38.904 38.000 -0.549 0.000 1.266 -284 I HN 0.320 nan 8.210 nan 0.000 0.434 -283 F N 7.927 128.033 119.950 0.261 0.000 2.420 -283 F HA 0.555 5.085 4.527 0.006 0.000 0.342 -283 F C -0.385 175.708 175.800 0.489 0.000 1.113 -283 F CA -0.048 58.151 58.000 0.331 0.000 1.059 -283 F CB 1.278 40.402 39.000 0.206 0.000 1.128 -283 F HN 0.466 nan 8.300 nan 0.000 0.475 -282 W N 1.989 123.569 121.300 0.466 0.000 2.982 -282 W HA 0.607 5.269 4.660 0.005 0.000 0.344 -282 W C -1.356 175.377 176.519 0.357 0.000 1.215 -282 W CA -1.304 56.235 57.345 0.324 0.000 1.182 -282 W CB 1.449 31.039 29.460 0.216 0.000 1.437 -282 W HN 0.648 nan 8.180 nan 0.000 0.570 -281 A N 2.625 125.303 122.820 -0.237 0.000 2.520 -281 A HA 0.004 4.326 4.320 0.005 0.000 0.235 -281 A C 1.425 179.249 177.584 0.401 0.000 1.065 -281 A CA 0.973 53.027 52.037 0.028 0.000 0.764 -281 A CB -0.144 18.728 19.000 -0.213 0.000 1.002 -281 A HN 0.797 nan 8.150 nan 0.000 0.502 -280 H N 1.538 120.759 119.070 0.252 0.000 2.489 -280 H HA -0.164 4.395 4.556 0.005 0.000 0.295 -280 H C 1.071 176.601 175.328 0.336 0.000 1.082 -280 H CA 1.511 57.722 56.048 0.271 0.000 1.295 -280 H CB -0.443 29.369 29.762 0.083 0.000 1.380 -280 H HN 0.833 nan 8.280 nan 0.000 0.548 -279 D N 1.304 121.489 120.400 -0.359 0.000 2.218 -279 D HA -0.177 4.466 4.640 0.005 0.000 0.204 -279 D C 1.781 178.043 176.300 -0.064 0.000 0.976 -279 D CA 0.490 54.336 54.000 -0.257 0.000 0.853 -279 D CB -0.303 40.404 40.800 -0.155 0.000 0.939 -279 D HN 0.280 nan 8.370 nan 0.000 0.481 -278 R N -0.683 119.803 120.500 -0.024 0.000 2.275 -278 R HA 0.074 4.417 4.340 0.005 0.000 0.199 -278 R C 1.848 177.657 176.300 -0.819 0.000 0.989 -278 R CA 0.037 55.864 56.100 -0.456 0.000 1.016 -278 R CB -0.442 29.451 30.300 -0.679 0.000 0.918 -278 R HN 0.279 nan 8.270 nan 0.000 0.473 -277 F N -0.005 119.731 119.950 -0.356 0.000 2.367 -277 F HA 0.056 4.586 4.527 0.005 0.000 0.298 -277 F C 2.464 178.085 175.800 -0.298 0.000 1.094 -277 F CA 1.054 58.912 58.000 -0.236 0.000 1.409 -277 F CB -0.595 38.421 39.000 0.025 0.000 1.064 -277 F HN 0.093 nan 8.300 nan 0.000 0.528 -276 G N -0.005 108.650 108.800 -0.242 0.000 2.418 -276 G HA2 -0.191 3.772 3.960 0.005 0.000 0.217 -276 G HA3 -0.191 3.772 3.960 0.005 0.000 0.217 -276 G C 2.070 176.607 174.900 -0.605 0.000 1.158 -276 G CA 0.879 45.555 45.100 -0.707 0.000 0.771 -276 G HN 0.478 nan 8.290 nan 0.000 0.545 -275 G N 0.050 108.616 108.800 -0.390 0.000 2.446 -275 G HA2 -0.215 3.748 3.960 0.005 0.000 0.217 -275 G HA3 -0.215 3.748 3.960 0.005 0.000 0.217 -275 G C 1.629 176.461 174.900 -0.114 0.000 1.168 -275 G CA 1.106 46.053 45.100 -0.254 0.000 0.771 -275 G HN 0.389 nan 8.290 nan 0.000 0.551 -274 Y N 1.344 121.574 120.300 -0.116 0.000 2.181 -274 Y HA 0.034 4.587 4.550 0.005 0.000 0.288 -274 Y C 3.123 179.012 175.900 -0.018 0.000 1.146 -274 Y CA 0.154 58.230 58.100 -0.040 0.000 1.164 -274 Y CB -1.171 37.300 38.460 0.019 0.000 0.982 -274 Y HN 0.273 nan 8.280 nan 0.000 0.515 -273 A N -0.102 122.772 122.820 0.089 0.000 1.902 -273 A HA -0.253 4.069 4.320 0.005 0.000 0.217 -273 A C 2.298 179.925 177.584 0.072 0.000 1.181 -273 A CA 1.727 53.802 52.037 0.064 0.000 0.623 -273 A CB -0.855 18.140 19.000 -0.009 0.000 0.818 -273 A HN 0.530 nan 8.150 nan 0.000 0.443 -272 Q N -0.048 119.750 119.800 -0.004 0.000 2.170 -272 Q HA -0.127 4.216 4.340 0.005 0.000 0.203 -272 Q C 1.470 177.506 176.000 0.060 0.000 0.976 -272 Q CA 1.707 57.562 55.803 0.087 0.000 0.858 -272 Q CB -0.126 28.653 28.738 0.069 0.000 0.907 -272 Q HN 0.564 nan 8.270 nan 0.000 0.433 -271 S N -0.642 115.083 115.700 0.042 0.000 2.603 -271 S HA 0.157 4.630 4.470 0.005 0.000 0.220 -271 S C 0.895 175.503 174.600 0.014 0.000 0.967 -271 S CA 0.529 58.742 58.200 0.022 0.000 0.920 -271 S CB 0.385 63.591 63.200 0.011 0.000 0.773 -271 S HN 0.692 nan 8.310 nan 0.000 0.529 -270 G N 1.419 110.245 108.800 0.044 0.000 2.198 -270 G HA2 -0.240 3.723 3.960 0.005 0.000 0.257 -270 G HA3 -0.240 3.723 3.960 0.005 0.000 0.257 -270 G C 0.414 175.329 174.900 0.026 0.000 1.042 -270 G CA 0.313 45.436 45.100 0.038 0.000 0.791 -270 G HN 0.535 nan 8.290 nan 0.000 0.502 -269 L N -1.175 120.078 121.223 0.050 0.000 2.585 -269 L HA 0.417 4.760 4.340 0.005 0.000 0.226 -269 L C 1.158 178.124 176.870 0.160 0.000 1.113 -269 L CA 0.168 55.024 54.840 0.027 0.000 0.876 -269 L CB 0.131 42.133 42.059 -0.096 0.000 1.072 -269 L HN 0.210 nan 8.230 nan 0.000 0.468 -268 L N -0.048 121.277 121.223 0.170 0.000 2.334 -268 L HA 0.628 4.971 4.340 0.005 0.000 0.276 -268 L C 0.289 177.231 176.870 0.120 0.000 1.014 -268 L CA -0.634 54.314 54.840 0.181 0.000 0.815 -268 L CB 1.764 43.968 42.059 0.240 0.000 1.268 -268 L HN -0.102 nan 8.230 nan 0.000 0.428 -267 A N 2.202 125.082 122.820 0.099 0.000 2.351 -267 A HA 0.338 4.661 4.320 0.005 0.000 0.257 -267 A C 0.081 177.708 177.584 0.072 0.000 1.087 -267 A CA -0.493 51.587 52.037 0.072 0.000 0.798 -267 A CB 0.222 19.257 19.000 0.058 0.000 1.033 -267 A HN 0.781 nan 8.150 nan 0.000 0.488 -266 E N 1.145 121.377 120.200 0.053 0.000 2.373 -266 E HA 0.402 4.754 4.350 0.005 0.000 0.267 -266 E C -0.365 176.248 176.600 0.022 0.000 1.032 -266 E CA -0.341 56.081 56.400 0.037 0.000 0.889 -266 E CB 0.485 30.200 29.700 0.025 0.000 0.984 -266 E HN 0.578 nan 8.360 nan 0.000 0.425 -265 I N -0.760 119.800 120.570 -0.017 0.000 2.577 -265 I HA 0.424 4.597 4.170 0.005 0.000 0.305 -265 I C 0.112 176.178 176.117 -0.085 0.000 0.986 -265 I CA -0.778 60.489 61.300 -0.055 0.000 1.189 -265 I CB 2.071 39.941 38.000 -0.218 0.000 1.355 -265 I HN 0.558 nan 8.210 nan 0.000 0.476 -264 T N 0.461 114.981 114.554 -0.057 0.000 3.697 -264 T HA 0.433 4.786 4.350 0.005 0.000 0.260 -264 T C -2.462 172.209 174.700 -0.049 0.000 0.998 -264 T CA -1.100 60.968 62.100 -0.054 0.000 1.128 -264 T CB -0.426 68.433 68.868 -0.014 0.000 1.082 -264 T HN 0.573 nan 8.240 nan 0.000 0.541 -263 P HA 0.243 nan 4.420 nan 0.000 0.271 -263 P C -0.128 177.163 177.300 -0.015 0.000 1.220 -263 P CA 0.037 63.134 63.100 -0.005 0.000 0.768 -263 P CB 0.817 32.571 31.700 0.090 0.000 0.848 -262 D N 1.905 122.336 120.400 0.051 0.000 2.384 -262 D HA 0.004 4.647 4.640 0.005 0.000 0.244 -262 D C 1.145 177.466 176.300 0.036 0.000 1.251 -262 D CA -0.376 53.642 54.000 0.030 0.000 0.961 -262 D CB 0.804 41.630 40.800 0.043 0.000 1.116 -262 D HN 0.260 nan 8.370 nan 0.000 0.484 -261 K N -0.309 120.092 120.400 0.001 0.000 2.097 -261 K HA -0.164 4.159 4.320 0.005 0.000 0.206 -261 K C 1.924 178.537 176.600 0.022 0.000 1.049 -261 K CA 1.174 57.449 56.287 -0.020 0.000 0.933 -261 K CB -0.468 32.017 32.500 -0.026 0.000 0.717 -261 K HN 0.515 nan 8.250 nan 0.000 0.442 -260 A N 0.779 123.633 122.820 0.057 0.000 1.908 -260 A HA -0.193 4.130 4.320 0.005 0.000 0.218 -260 A C 1.998 179.645 177.584 0.105 0.000 1.181 -260 A CA 1.422 53.500 52.037 0.069 0.000 0.627 -260 A CB -0.786 18.260 19.000 0.076 0.000 0.818 -260 A HN 0.498 nan 8.150 nan 0.000 0.445 -259 F N 0.584 120.566 119.950 0.053 0.000 2.113 -259 F HA -0.182 4.348 4.527 0.004 0.000 0.297 -259 F C 2.586 178.508 175.800 0.204 0.000 1.103 -259 F CA 2.123 60.195 58.000 0.121 0.000 1.248 -259 F CB -0.269 38.826 39.000 0.158 0.000 0.999 -259 F HN 0.299 nan 8.300 nan 0.000 0.475 -258 Q N -0.196 119.715 119.800 0.186 0.000 2.170 -258 Q HA -0.222 4.121 4.340 0.005 0.000 0.203 -258 Q C 1.566 177.692 176.000 0.209 0.000 0.976 -258 Q CA 1.580 57.472 55.803 0.148 0.000 0.858 -258 Q CB -0.334 28.159 28.738 -0.409 0.000 0.907 -258 Q HN 0.407 nan 8.270 nan 0.000 0.433 -257 D N 0.649 121.072 120.400 0.039 0.000 2.264 -257 D HA -0.095 4.548 4.640 0.005 0.000 0.208 -257 D C 1.262 177.525 176.300 -0.062 0.000 0.966 -257 D CA 0.945 54.949 54.000 0.007 0.000 0.864 -257 D CB 0.036 40.831 40.800 -0.009 0.000 0.933 -257 D HN 0.218 nan 8.370 nan 0.000 0.499 -256 K N -0.253 120.056 120.400 -0.151 0.000 2.365 -256 K HA 0.061 4.384 4.320 0.005 0.000 0.199 -256 K C 0.648 177.064 176.600 -0.307 0.000 1.045 -256 K CA 0.414 56.548 56.287 -0.255 0.000 0.962 -256 K CB 0.478 32.753 32.500 -0.374 0.000 0.759 -256 K HN 0.163 nan 8.250 nan 0.000 0.469 -255 L N 0.281 121.364 121.223 -0.232 0.000 2.333 -255 L HA 0.344 4.686 4.340 0.005 0.000 0.269 -255 L C -0.294 176.426 176.870 -0.250 0.000 1.010 -255 L CA -1.418 53.218 54.840 -0.339 0.000 0.818 -255 L CB 0.607 42.346 42.059 -0.534 0.000 1.306 -255 L HN -0.109 nan 8.230 nan 0.000 0.430 -254 Y N 1.559 121.751 120.300 -0.180 0.000 2.620 -254 Y HA 0.029 4.581 4.550 0.005 0.000 0.330 -254 Y C -1.383 174.467 175.900 -0.085 0.000 1.186 -254 Y CA -1.114 56.939 58.100 -0.079 0.000 1.467 -254 Y CB 0.007 38.430 38.460 -0.061 0.000 1.262 -254 Y HN 0.427 nan 8.280 nan 0.000 0.550 -253 P HA -0.251 nan 4.420 nan 0.000 0.216 -253 P C 1.408 178.848 177.300 0.234 0.000 1.150 -253 P CA 1.659 64.938 63.100 0.298 0.000 0.843 -253 P CB -0.150 31.705 31.700 0.258 0.000 0.787 -252 F N -0.279 119.756 119.950 0.141 0.000 2.407 -252 F HA -0.071 4.458 4.527 0.005 0.000 0.299 -252 F C 1.860 177.677 175.800 0.028 0.000 1.097 -252 F CA 1.449 59.494 58.000 0.074 0.000 1.422 -252 F CB -2.041 36.977 39.000 0.030 0.000 1.067 -252 F HN -0.107 nan 8.300 nan 0.000 0.539 -251 T N -2.905 111.086 114.554 -0.939 0.000 2.857 -251 T HA -0.189 4.164 4.350 0.005 0.000 0.266 -251 T C 1.635 176.100 174.700 -0.392 0.000 1.048 -251 T CA 1.182 62.822 62.100 -0.768 0.000 1.139 -251 T CB -1.251 67.127 68.868 -0.817 0.000 0.874 -251 T HN 0.578 nan 8.240 nan 0.000 0.455 -250 W N 2.098 123.294 121.300 -0.173 0.000 2.358 -250 W HA -0.002 4.661 4.660 0.005 0.000 0.303 -250 W C 2.221 178.708 176.519 -0.054 0.000 1.208 -250 W CA 0.421 57.710 57.345 -0.093 0.000 1.274 -250 W CB -0.242 29.184 29.460 -0.057 0.000 1.138 -250 W HN 0.214 nan 8.180 nan 0.000 0.515 -249 D N 0.200 120.719 120.400 0.198 0.000 2.158 -249 D HA -0.207 4.436 4.640 0.005 0.000 0.197 -249 D C 2.161 178.530 176.300 0.115 0.000 0.995 -249 D CA 1.911 56.005 54.000 0.156 0.000 0.846 -249 D CB -0.908 39.990 40.800 0.162 0.000 0.941 -249 D HN 0.151 nan 8.370 nan 0.000 0.456 -248 A N 0.409 123.233 122.820 0.007 0.000 2.067 -248 A HA -0.067 4.256 4.320 0.005 0.000 0.219 -248 A C 2.050 179.654 177.584 0.034 0.000 1.158 -248 A CA 1.332 53.300 52.037 -0.115 0.000 0.661 -248 A CB -0.212 18.469 19.000 -0.532 0.000 0.801 -248 A HN 0.249 nan 8.150 nan 0.000 0.452 -247 V N -3.371 116.578 119.914 0.059 0.000 3.376 -247 V HA 0.364 4.487 4.120 0.005 0.000 0.313 -247 V C 0.515 176.706 176.094 0.162 0.000 1.393 -247 V CA -0.297 62.059 62.300 0.093 0.000 1.125 -247 V CB -0.806 31.019 31.823 0.003 0.000 1.037 -247 V HN 0.385 nan 8.190 nan 0.000 0.440 -246 R N 0.917 121.529 120.500 0.186 0.000 2.265 -246 R HA 0.477 4.820 4.340 0.005 0.000 0.319 -246 R C -1.619 174.832 176.300 0.252 0.000 1.006 -246 R CA -0.660 55.550 56.100 0.182 0.000 0.880 -246 R CB 1.019 31.402 30.300 0.139 0.000 1.077 -246 R HN 0.493 nan 8.270 nan 0.000 0.454 -245 Y N 4.521 124.873 120.300 0.087 0.000 2.346 -245 Y HA 0.196 4.749 4.550 0.005 0.000 0.332 -245 Y C -0.432 175.504 175.900 0.060 0.000 0.985 -245 Y CA -0.962 57.189 58.100 0.085 0.000 1.112 -245 Y CB 1.107 39.625 38.460 0.097 0.000 1.170 -245 Y HN 0.941 nan 8.280 nan 0.000 0.447 -244 N N 4.351 122.754 118.700 -0.496 0.000 2.716 -244 N HA -0.255 4.488 4.740 0.005 0.000 0.250 -244 N C 0.839 176.262 175.510 -0.146 0.000 1.033 -244 N CA 0.820 53.644 53.050 -0.376 0.000 0.727 -244 N CB -0.869 37.312 38.487 -0.510 0.000 0.950 -244 N HN 1.275 nan 8.380 nan 0.000 0.541 -243 G N -1.178 107.581 108.800 -0.068 0.000 2.179 -243 G HA2 -0.333 3.630 3.960 0.005 0.000 0.260 -243 G HA3 -0.333 3.630 3.960 0.005 0.000 0.260 -243 G C -0.126 174.769 174.900 -0.008 0.000 0.977 -243 G CA 0.692 45.776 45.100 -0.026 0.000 0.641 -243 G HN 0.349 nan 8.290 nan 0.000 0.533 -242 K N -0.031 120.381 120.400 0.019 0.000 2.259 -242 K HA 0.596 4.919 4.320 0.005 0.000 0.249 -242 K C 0.259 176.896 176.600 0.062 0.000 0.942 -242 K CA -0.889 55.417 56.287 0.031 0.000 0.816 -242 K CB 2.046 34.577 32.500 0.052 0.000 1.155 -242 K HN 0.161 nan 8.250 nan 0.000 0.428 -241 L N 4.176 125.406 121.223 0.012 0.000 2.361 -241 L HA 0.255 4.598 4.340 0.005 0.000 0.278 -241 L C 1.496 178.384 176.870 0.030 0.000 1.113 -241 L CA -0.044 54.809 54.840 0.021 0.000 0.849 -241 L CB 0.113 42.120 42.059 -0.087 0.000 1.155 -241 L HN 0.668 nan 8.230 nan 0.000 0.452 -240 I N 0.029 120.642 120.570 0.072 0.000 4.082 -240 I HA 0.581 4.754 4.170 0.005 0.000 0.337 -240 I C 0.470 176.603 176.117 0.026 0.000 1.352 -240 I CA -0.103 61.250 61.300 0.088 0.000 1.097 -240 I CB 0.530 38.638 38.000 0.179 0.000 1.048 -240 I HN 0.525 nan 8.210 nan 0.000 0.393 -239 A N 0.124 122.899 122.820 -0.075 0.000 2.586 -239 A HA 0.667 4.990 4.320 0.005 0.000 0.290 -239 A C -2.089 175.403 177.584 -0.153 0.000 1.086 -239 A CA -0.451 51.480 52.037 -0.177 0.000 0.665 -239 A CB 0.578 19.237 19.000 -0.568 0.000 1.279 -239 A HN 0.168 nan 8.150 nan 0.000 0.423 -238 Y N 1.151 121.381 120.300 -0.116 0.000 2.326 -238 Y HA 0.475 5.029 4.550 0.005 0.000 0.337 -238 Y C -2.003 173.738 175.900 -0.264 0.000 1.023 -238 Y CA -1.835 56.211 58.100 -0.090 0.000 1.143 -238 Y CB 1.290 39.723 38.460 -0.045 0.000 1.183 -238 Y HN 0.409 nan 8.280 nan 0.000 0.485 -237 P HA 0.141 nan 4.420 nan 0.000 0.279 -237 P C -0.061 177.130 177.300 -0.181 0.000 1.239 -237 P CA 0.018 62.939 63.100 -0.298 0.000 0.789 -237 P CB 1.654 33.053 31.700 -0.502 0.000 0.933 -236 I N 0.524 121.050 120.570 -0.074 0.000 3.366 -236 I HA 0.381 4.554 4.170 0.005 0.000 0.267 -236 I C 0.967 177.098 176.117 0.025 0.000 1.149 -236 I CA 0.218 61.533 61.300 0.026 0.000 1.436 -236 I CB -0.814 37.286 38.000 0.166 0.000 1.379 -236 I HN 0.356 nan 8.210 nan 0.000 0.460 -235 A N 0.577 123.413 122.820 0.027 0.000 2.605 -235 A HA 0.642 4.965 4.320 0.005 0.000 0.294 -235 A C -1.309 176.314 177.584 0.066 0.000 1.062 -235 A CA -0.383 51.688 52.037 0.056 0.000 0.682 -235 A CB 1.395 20.450 19.000 0.092 0.000 1.278 -235 A HN -0.164 nan 8.150 nan 0.000 0.410 -234 V N 1.781 121.753 119.914 0.096 0.000 2.407 -234 V HA 0.428 4.551 4.120 0.005 0.000 0.278 -234 V C -0.129 176.059 176.094 0.157 0.000 1.037 -234 V CA -0.228 62.161 62.300 0.148 0.000 0.900 -234 V CB 1.062 33.023 31.823 0.230 0.000 0.983 -234 V HN 0.865 nan 8.190 nan 0.000 0.459 -233 E N 3.427 123.746 120.200 0.199 0.000 2.183 -233 E HA 0.810 5.163 4.350 0.005 0.000 0.271 -233 E C -0.508 176.239 176.600 0.244 0.000 0.919 -233 E CA -0.647 55.889 56.400 0.227 0.000 0.781 -233 E CB 2.327 32.245 29.700 0.364 0.000 1.140 -233 E HN 0.802 nan 8.360 nan 0.000 0.402 -232 A N 3.023 125.939 122.820 0.160 0.000 2.515 -232 A HA 0.509 4.832 4.320 0.005 0.000 0.298 -232 A C -0.837 176.772 177.584 0.043 0.000 1.059 -232 A CA -0.791 51.333 52.037 0.144 0.000 0.698 -232 A CB 0.877 19.950 19.000 0.122 0.000 1.289 -232 A HN 0.580 nan 8.150 nan 0.000 0.404 -231 L N 1.561 122.784 121.223 -0.000 0.000 2.456 -231 L HA 0.368 4.711 4.340 0.005 0.000 0.272 -231 L C 0.548 177.413 176.870 -0.008 0.000 1.189 -231 L CA 0.228 55.037 54.840 -0.051 0.000 0.846 -231 L CB 0.903 42.891 42.059 -0.118 0.000 1.111 -231 L HN 0.730 nan 8.230 nan 0.000 0.475 -230 S N 1.902 117.606 115.700 0.007 0.000 2.667 -230 S HA 0.555 5.028 4.470 0.005 0.000 0.292 -230 S C -0.914 173.682 174.600 -0.006 0.000 1.126 -230 S CA -0.687 57.530 58.200 0.028 0.000 0.881 -230 S CB 2.027 65.286 63.200 0.097 0.000 1.132 -230 S HN 0.385 nan 8.310 nan 0.000 0.492 -229 L N 2.278 123.488 121.223 -0.022 0.000 2.313 -229 L HA 0.532 4.875 4.340 0.005 0.000 0.282 -229 L C -1.239 175.653 176.870 0.037 0.000 1.092 -229 L CA 0.272 55.082 54.840 -0.050 0.000 0.831 -229 L CB -0.211 41.783 42.059 -0.109 0.000 1.159 -229 L HN 0.511 nan 8.230 nan 0.000 0.442 -228 I N 6.477 127.026 120.570 -0.035 0.000 2.404 -228 I HA 0.362 4.535 4.170 0.005 0.000 0.293 -228 I C -0.993 175.114 176.117 -0.016 0.000 0.992 -228 I CA -0.810 60.449 61.300 -0.069 0.000 1.149 -228 I CB 1.181 38.989 38.000 -0.320 0.000 1.315 -228 I HN 0.619 nan 8.210 nan 0.000 0.446 -227 Y N 4.172 124.524 120.300 0.087 0.000 2.553 -227 Y HA 0.515 5.068 4.550 0.005 0.000 0.347 -227 Y C -0.793 175.383 175.900 0.461 0.000 1.019 -227 Y CA -1.530 56.731 58.100 0.267 0.000 1.032 -227 Y CB 0.916 39.440 38.460 0.107 0.000 1.284 -227 Y HN 0.448 nan 8.280 nan 0.000 0.466 -226 N N 2.715 121.685 118.700 0.449 0.000 2.406 -226 N HA 0.148 4.891 4.740 0.005 0.000 0.251 -226 N C 0.026 175.608 175.510 0.121 0.000 1.069 -226 N CA -0.103 53.026 53.050 0.133 0.000 0.947 -226 N CB 1.106 39.534 38.487 -0.099 0.000 1.111 -226 N HN 0.902 nan 8.380 nan 0.000 0.497 -225 K N 1.818 122.219 120.400 0.002 0.000 2.283 -225 K HA -0.066 4.257 4.320 0.005 0.000 0.202 -225 K C 0.467 177.104 176.600 0.062 0.000 1.048 -225 K CA 0.961 57.288 56.287 0.068 0.000 0.948 -225 K CB 0.383 32.865 32.500 -0.030 0.000 0.742 -225 K HN 0.501 nan 8.250 nan 0.000 0.458 -224 D N 0.727 121.138 120.400 0.018 0.000 2.149 -224 D HA -0.078 4.565 4.640 0.005 0.000 0.201 -224 D C 1.760 178.072 176.300 0.019 0.000 0.972 -224 D CA 0.954 54.958 54.000 0.007 0.000 0.835 -224 D CB 0.090 40.879 40.800 -0.019 0.000 0.966 -224 D HN 0.147 nan 8.370 nan 0.000 0.476 -223 L N -0.600 120.641 121.223 0.029 0.000 2.270 -223 L HA 0.077 4.419 4.340 0.005 0.000 0.210 -223 L C 0.375 177.282 176.870 0.062 0.000 1.104 -223 L CA 0.267 55.129 54.840 0.035 0.000 0.804 -223 L CB 0.464 42.538 42.059 0.025 0.000 0.937 -223 L HN -0.035 nan 8.230 nan 0.000 0.450 -222 L N 0.227 121.515 121.223 0.108 0.000 2.534 -222 L HA 0.341 4.684 4.340 0.005 0.000 0.259 -222 L C -2.046 174.923 176.870 0.164 0.000 1.108 -222 L CA -1.262 53.647 54.840 0.115 0.000 0.905 -222 L CB 1.175 43.314 42.059 0.134 0.000 1.138 -222 L HN -0.288 nan 8.230 nan 0.000 0.475 -221 P HA -0.058 nan 4.420 nan 0.000 0.216 -221 P C -0.392 176.957 177.300 0.081 0.000 1.153 -221 P CA 1.022 64.191 63.100 0.116 0.000 0.848 -221 P CB 0.192 31.924 31.700 0.053 0.000 0.787 -220 N N 1.196 119.881 118.700 -0.024 0.000 2.469 -220 N HA 0.245 4.988 4.740 0.005 0.000 0.253 -220 N C -2.428 172.936 175.510 -0.244 0.000 0.970 -220 N CA -1.559 51.413 53.050 -0.130 0.000 0.940 -220 N CB 0.923 39.358 38.487 -0.086 0.000 1.128 -220 N HN 0.179 nan 8.380 nan 0.000 0.503 -219 P HA 0.172 nan 4.420 nan 0.000 0.269 -219 P C -2.508 174.607 177.300 -0.308 0.000 1.215 -219 P CA -0.823 61.947 63.100 -0.550 0.000 0.780 -219 P CB -0.111 31.011 31.700 -0.963 0.000 0.898 -218 P HA 0.143 nan 4.420 nan 0.000 0.275 -218 P C 0.409 177.594 177.300 -0.193 0.000 1.227 -218 P CA -0.151 62.843 63.100 -0.177 0.000 0.781 -218 P CB 0.813 32.420 31.700 -0.155 0.000 0.906 -217 K N 0.242 120.557 120.400 -0.142 0.000 2.314 -217 K HA 0.076 4.399 4.320 0.005 0.000 0.198 -217 K C 1.081 177.613 176.600 -0.114 0.000 1.045 -217 K CA 0.881 57.093 56.287 -0.126 0.000 0.988 -217 K CB -0.337 32.110 32.500 -0.089 0.000 0.783 -217 K HN 0.663 nan 8.250 nan 0.000 0.484 -216 T N -4.094 110.401 114.554 -0.099 0.000 2.893 -216 T HA 0.304 4.657 4.350 0.005 0.000 0.291 -216 T C 0.541 175.213 174.700 -0.046 0.000 1.028 -216 T CA -0.888 61.186 62.100 -0.042 0.000 0.995 -216 T CB 1.120 69.989 68.868 0.002 0.000 1.051 -216 T HN 0.116 nan 8.240 nan 0.000 0.470 -215 W N 0.877 122.142 121.300 -0.060 0.000 2.363 -215 W HA 0.048 4.711 4.660 0.005 0.000 0.296 -215 W C 2.194 178.736 176.519 0.040 0.000 1.212 -215 W CA 1.078 58.382 57.345 -0.068 0.000 1.260 -215 W CB -0.234 29.026 29.460 -0.333 0.000 1.131 -215 W HN 0.819 nan 8.180 nan 0.000 0.530 -214 E N 0.201 120.515 120.200 0.189 0.000 2.171 -214 E HA -0.254 4.099 4.350 0.005 0.000 0.197 -214 E C 1.835 178.597 176.600 0.269 0.000 0.997 -214 E CA 1.871 58.438 56.400 0.278 0.000 0.810 -214 E CB -0.487 29.294 29.700 0.136 0.000 0.738 -214 E HN 0.534 nan 8.360 nan 0.000 0.467 -213 E N 0.165 120.456 120.200 0.151 0.000 2.478 -213 E HA -0.030 4.322 4.350 0.005 0.000 0.194 -213 E C 1.733 178.369 176.600 0.060 0.000 1.045 -213 E CA 0.153 56.602 56.400 0.081 0.000 0.868 -213 E CB -0.110 29.604 29.700 0.024 0.000 0.885 -213 E HN 0.282 nan 8.360 nan 0.000 0.505 -212 I N 1.728 122.366 120.570 0.113 0.000 2.226 -212 I HA -0.155 4.017 4.170 0.005 0.000 0.245 -212 I C -0.557 175.512 176.117 -0.079 0.000 1.100 -212 I CA 0.876 62.209 61.300 0.054 0.000 1.374 -212 I CB -1.001 37.084 38.000 0.141 0.000 1.057 -212 I HN 0.102 nan 8.210 nan 0.000 0.413 -211 P HA -0.228 nan 4.420 nan 0.000 0.215 -211 P C 1.421 178.550 177.300 -0.285 0.000 1.157 -211 P CA 2.037 64.801 63.100 -0.560 0.000 0.874 -211 P CB -0.017 31.516 31.700 -0.278 0.000 0.790 -210 A N -1.239 121.533 122.820 -0.080 0.000 1.929 -210 A HA -0.124 4.199 4.320 0.005 0.000 0.216 -210 A C 2.121 179.701 177.584 -0.006 0.000 1.176 -210 A CA 1.083 53.113 52.037 -0.011 0.000 0.628 -210 A CB -1.579 17.429 19.000 0.014 0.000 0.816 -210 A HN 0.124 nan 8.150 nan 0.000 0.444 -209 L N 0.478 121.690 121.223 -0.017 0.000 2.012 -209 L HA -0.194 4.148 4.340 0.005 0.000 0.210 -209 L C 1.966 178.843 176.870 0.012 0.000 1.073 -209 L CA 2.740 57.577 54.840 -0.004 0.000 0.748 -209 L CB -0.647 41.406 42.059 -0.009 0.000 0.891 -209 L HN 0.517 nan 8.230 nan 0.000 0.431 -208 D N -0.915 119.483 120.400 -0.003 0.000 2.149 -208 D HA -0.263 4.380 4.640 0.005 0.000 0.198 -208 D C 2.261 178.623 176.300 0.103 0.000 0.990 -208 D CA 1.406 55.444 54.000 0.064 0.000 0.839 -208 D CB -0.061 40.806 40.800 0.112 0.000 0.948 -208 D HN 0.303 nan 8.370 nan 0.000 0.460 -207 K N 0.311 120.768 120.400 0.096 0.000 2.026 -207 K HA -0.227 4.096 4.320 0.005 0.000 0.208 -207 K C 2.127 178.765 176.600 0.064 0.000 1.048 -207 K CA 1.470 57.820 56.287 0.104 0.000 0.929 -207 K CB -0.149 32.410 32.500 0.099 0.000 0.713 -207 K HN 0.203 nan 8.250 nan 0.000 0.439 -206 E N 0.449 120.677 120.200 0.046 0.000 2.085 -206 E HA -0.203 4.150 4.350 0.005 0.000 0.194 -206 E C 2.052 178.673 176.600 0.035 0.000 0.994 -206 E CA 1.176 57.596 56.400 0.034 0.000 0.801 -206 E CB -0.005 29.710 29.700 0.025 0.000 0.743 -206 E HN 0.317 nan 8.360 nan 0.000 0.453 -205 L N 0.374 121.622 121.223 0.041 0.000 2.131 -205 L HA -0.105 4.238 4.340 0.005 0.000 0.206 -205 L C 2.539 179.434 176.870 0.041 0.000 1.087 -205 L CA 0.589 55.454 54.840 0.040 0.000 0.767 -205 L CB -0.216 41.871 42.059 0.047 0.000 0.917 -205 L HN -0.026 nan 8.230 nan 0.000 0.441 -204 K N 0.451 120.882 120.400 0.052 0.000 2.103 -204 K HA -0.144 4.179 4.320 0.005 0.000 0.207 -204 K C 2.125 178.744 176.600 0.031 0.000 1.048 -204 K CA 1.529 57.843 56.287 0.045 0.000 0.930 -204 K CB -0.540 31.993 32.500 0.055 0.000 0.716 -204 K HN 0.293 nan 8.250 nan 0.000 0.444 -203 A N 1.269 124.107 122.820 0.030 0.000 2.070 -203 A HA -0.145 4.178 4.320 0.005 0.000 0.220 -203 A C 1.606 179.200 177.584 0.018 0.000 1.159 -203 A CA 1.405 53.456 52.037 0.022 0.000 0.656 -203 A CB -0.164 18.849 19.000 0.022 0.000 0.800 -203 A HN 0.279 nan 8.150 nan 0.000 0.453 -202 K N -1.415 118.996 120.400 0.019 0.000 2.397 -202 K HA 0.319 4.642 4.320 0.005 0.000 0.202 -202 K C 0.756 177.363 176.600 0.012 0.000 1.022 -202 K CA 0.362 56.658 56.287 0.014 0.000 1.141 -202 K CB 0.224 32.732 32.500 0.013 0.000 0.857 -202 K HN 0.546 nan 8.250 nan 0.000 0.514 -201 G N 1.997 110.806 108.800 0.015 0.000 2.160 -201 G HA2 -0.243 3.720 3.960 0.005 0.000 0.244 -201 G HA3 -0.243 3.720 3.960 0.005 0.000 0.244 -201 G C -0.158 174.750 174.900 0.014 0.000 1.022 -201 G CA 0.308 45.416 45.100 0.013 0.000 0.741 -201 G HN 0.124 nan 8.290 nan 0.000 0.508 -200 K N -0.463 119.950 120.400 0.022 0.000 2.349 -200 K HA 0.841 5.164 4.320 0.005 0.000 0.243 -200 K C 0.167 176.794 176.600 0.044 0.000 1.058 -200 K CA -0.033 56.270 56.287 0.027 0.000 0.871 -200 K CB 1.726 34.239 32.500 0.022 0.000 1.337 -200 K HN 0.705 nan 8.250 nan 0.000 0.469 -199 S N -1.660 114.074 115.700 0.057 0.000 2.599 -199 S HA 0.609 5.082 4.470 0.005 0.000 0.287 -199 S C 0.595 175.252 174.600 0.094 0.000 1.105 -199 S CA -0.287 57.961 58.200 0.080 0.000 0.899 -199 S CB 1.857 65.108 63.200 0.084 0.000 1.100 -199 S HN 0.571 nan 8.310 nan 0.000 0.482 -198 A N 0.726 123.608 122.820 0.103 0.000 1.872 -198 A HA 0.439 4.761 4.320 0.005 0.000 0.214 -198 A C 0.579 178.240 177.584 0.128 0.000 1.187 -198 A CA 1.170 53.265 52.037 0.096 0.000 0.614 -198 A CB -0.618 18.422 19.000 0.068 0.000 0.826 -198 A HN 1.226 nan 8.150 nan 0.000 0.442 -197 L N -1.289 120.028 121.223 0.156 0.000 2.526 -197 L HA 0.664 5.007 4.340 0.005 0.000 0.263 -197 L C -1.451 175.557 176.870 0.230 0.000 0.943 -197 L CA -0.155 54.806 54.840 0.202 0.000 0.859 -197 L CB 1.748 43.934 42.059 0.211 0.000 1.313 -197 L HN 0.293 nan 8.230 nan 0.000 0.406 -196 M N 6.249 125.996 119.600 0.244 0.000 2.271 -196 M HA 0.604 5.087 4.480 0.005 0.000 0.285 -196 M C -1.484 174.964 176.300 0.246 0.000 1.059 -196 M CA -0.401 55.005 55.300 0.176 0.000 0.940 -196 M CB 1.969 34.631 32.600 0.103 0.000 1.636 -196 M HN 0.580 nan 8.290 nan 0.000 0.460 -195 F N 0.078 120.036 119.950 0.013 0.000 2.662 -195 F HA 0.603 5.133 4.527 0.004 0.000 0.312 -195 F C -0.555 175.176 175.800 -0.115 0.000 1.113 -195 F CA -1.334 56.630 58.000 -0.059 0.000 0.951 -195 F CB 0.835 39.865 39.000 0.049 0.000 1.344 -195 F HN 0.465 nan 8.300 nan 0.000 0.462 -194 N N 1.868 120.425 118.700 -0.238 0.000 2.418 -194 N HA 0.073 4.816 4.740 0.005 0.000 0.277 -194 N C 0.274 175.672 175.510 -0.186 0.000 1.317 -194 N CA 0.219 53.066 53.050 -0.340 0.000 0.922 -194 N CB 0.321 38.378 38.487 -0.717 0.000 1.194 -194 N HN 0.800 nan 8.380 nan 0.000 0.485 -193 L N 2.092 123.186 121.223 -0.215 0.000 2.567 -193 L HA 0.066 4.409 4.340 0.005 0.000 0.225 -193 L C 1.455 178.332 176.870 0.012 0.000 1.119 -193 L CA 0.159 54.918 54.840 -0.136 0.000 0.871 -193 L CB 0.009 41.937 42.059 -0.217 0.000 1.036 -193 L HN 0.449 nan 8.230 nan 0.000 0.459 -192 Q N -0.159 119.660 119.800 0.032 0.000 2.354 -192 Q HA 0.115 4.458 4.340 0.005 0.000 0.203 -192 Q C 0.312 176.390 176.000 0.131 0.000 0.933 -192 Q CA 0.692 56.532 55.803 0.062 0.000 0.901 -192 Q CB 0.416 29.180 28.738 0.043 0.000 1.007 -192 Q HN 0.317 nan 8.270 nan 0.000 0.495 -191 E N 1.425 121.768 120.200 0.240 0.000 2.145 -191 E HA 0.169 4.522 4.350 0.005 0.000 0.270 -191 E C -1.797 175.064 176.600 0.434 0.000 0.906 -191 E CA -2.041 54.554 56.400 0.326 0.000 0.761 -191 E CB 1.923 31.893 29.700 0.450 0.000 1.116 -191 E HN -0.085 nan 8.360 nan 0.000 0.408 -190 P HA -0.179 nan 4.420 nan 0.000 0.222 -190 P C 1.343 179.002 177.300 0.597 0.000 1.147 -190 P CA 0.805 64.179 63.100 0.457 0.000 0.790 -190 P CB 0.140 32.119 31.700 0.465 0.000 0.780 -189 Y N 0.649 121.062 120.300 0.188 0.000 2.181 -189 Y HA -0.244 4.309 4.550 0.005 0.000 0.284 -189 Y C 1.946 177.972 175.900 0.210 0.000 1.179 -189 Y CA 1.803 59.953 58.100 0.082 0.000 1.179 -189 Y CB -1.098 37.168 38.460 -0.323 0.000 0.973 -189 Y HN -0.192 nan 8.280 nan 0.000 0.519 -188 F N -1.094 119.110 119.950 0.423 0.000 2.416 -188 F HA -0.057 4.473 4.527 0.005 0.000 0.296 -188 F C 2.496 178.538 175.800 0.403 0.000 1.099 -188 F CA 1.327 59.552 58.000 0.375 0.000 1.427 -188 F CB -0.646 38.694 39.000 0.566 0.000 1.079 -188 F HN 0.071 nan 8.300 nan 0.000 0.536 -187 T N -3.319 111.612 114.554 0.628 0.000 3.054 -187 T HA -0.161 4.192 4.350 0.005 0.000 0.259 -187 T C 1.894 176.780 174.700 0.310 0.000 1.092 -187 T CA 0.062 62.447 62.100 0.475 0.000 1.121 -187 T CB -0.767 68.340 68.868 0.398 0.000 0.912 -187 T HN 0.493 nan 8.240 nan 0.000 0.489 -186 W N 3.015 124.447 121.300 0.220 0.000 2.304 -186 W HA -0.114 4.549 4.660 0.005 0.000 0.315 -186 W C -1.615 174.925 176.519 0.036 0.000 1.233 -186 W CA 1.484 58.929 57.345 0.167 0.000 1.261 -186 W CB -1.140 28.523 29.460 0.338 0.000 1.150 -186 W HN 0.294 nan 8.180 nan 0.000 0.494 -185 P HA -0.213 nan 4.420 nan 0.000 0.216 -185 P C 1.760 178.940 177.300 -0.201 0.000 1.150 -185 P CA 1.574 64.620 63.100 -0.089 0.000 0.837 -185 P CB -0.477 31.244 31.700 0.035 0.000 0.786 -184 L N -0.869 120.208 121.223 -0.244 0.000 2.072 -184 L HA -0.046 4.297 4.340 0.005 0.000 0.205 -184 L C 2.200 178.757 176.870 -0.521 0.000 1.079 -184 L CA 1.572 56.104 54.840 -0.513 0.000 0.752 -184 L CB -1.213 40.342 42.059 -0.841 0.000 0.906 -184 L HN -0.154 nan 8.230 nan 0.000 0.436 -183 I N -0.162 120.121 120.570 -0.478 0.000 2.208 -183 I HA -0.292 3.881 4.170 0.005 0.000 0.245 -183 I C 2.451 178.177 176.117 -0.652 0.000 1.097 -183 I CA 1.308 62.294 61.300 -0.524 0.000 1.363 -183 I CB -0.542 37.173 38.000 -0.475 0.000 1.051 -183 I HN 0.358 nan 8.210 nan 0.000 0.413 -182 A N 0.373 122.657 122.820 -0.892 0.000 2.067 -182 A HA 0.072 4.394 4.320 0.005 0.000 0.217 -182 A C 2.514 179.915 177.584 -0.306 0.000 1.156 -182 A CA 1.134 52.737 52.037 -0.724 0.000 0.683 -182 A CB -0.556 17.916 19.000 -0.881 0.000 0.808 -182 A HN 0.392 nan 8.150 nan 0.000 0.455 -181 A N 0.311 122.999 122.820 -0.219 0.000 1.884 -181 A HA -0.259 4.063 4.320 0.005 0.000 0.219 -181 A C 1.760 179.352 177.584 0.014 0.000 1.197 -181 A CA 2.226 54.239 52.037 -0.040 0.000 0.637 -181 A CB -0.547 18.495 19.000 0.071 0.000 0.827 -181 A HN 0.446 nan 8.150 nan 0.000 0.450 -180 D N -2.844 117.595 120.400 0.064 0.000 2.342 -180 D HA 0.349 4.992 4.640 0.005 0.000 0.221 -180 D C 0.883 177.194 176.300 0.018 0.000 1.101 -180 D CA 1.064 55.088 54.000 0.040 0.000 0.837 -180 D CB 0.103 40.948 40.800 0.075 0.000 0.938 -180 D HN 0.519 nan 8.370 nan 0.000 0.508 -179 G N -1.240 107.559 108.800 -0.001 0.000 2.613 -179 G HA2 -0.055 3.908 3.960 0.005 0.000 0.199 -179 G HA3 -0.055 3.908 3.960 0.005 0.000 0.199 -179 G C 0.729 175.679 174.900 0.083 0.000 0.991 -179 G CA -0.228 44.907 45.100 0.058 0.000 0.756 -179 G HN 0.490 nan 8.290 nan 0.000 0.515 -178 G N 0.444 109.193 108.800 -0.085 0.000 2.432 -178 G HA2 0.610 4.573 3.960 0.005 0.000 0.239 -178 G HA3 0.610 4.573 3.960 0.005 0.000 0.239 -178 G C -0.230 174.670 174.900 0.001 0.000 1.291 -178 G CA 0.720 45.716 45.100 -0.173 0.000 0.863 -178 G HN 1.467 nan 8.290 nan 0.000 0.560 -177 Y N -1.682 118.712 120.300 0.156 0.000 2.638 -177 Y HA 0.714 5.267 4.550 0.005 0.000 0.335 -177 Y C 0.613 176.691 175.900 0.298 0.000 1.155 -177 Y CA -0.804 57.474 58.100 0.296 0.000 1.046 -177 Y CB 0.831 39.385 38.460 0.157 0.000 1.303 -177 Y HN 0.649 nan 8.280 nan 0.000 0.460 -176 A N 1.286 124.228 122.820 0.204 0.000 1.849 -176 A HA 0.401 4.724 4.320 0.005 0.000 0.214 -176 A C -0.396 176.831 177.584 -0.595 0.000 1.269 -176 A CA 0.939 52.600 52.037 -0.628 0.000 0.605 -176 A CB -0.393 17.845 19.000 -1.270 0.000 0.937 -176 A HN 0.562 nan 8.150 nan 0.000 0.461 -175 F N -0.978 119.068 119.950 0.160 0.000 2.551 -175 F HA 0.557 5.087 4.527 0.005 0.000 0.316 -175 F C -0.002 176.055 175.800 0.430 0.000 1.089 -175 F CA -1.011 57.157 58.000 0.280 0.000 0.915 -175 F CB 1.760 40.825 39.000 0.109 0.000 1.186 -175 F HN -0.004 nan 8.300 nan 0.000 0.456 -174 K N 1.780 122.491 120.400 0.519 0.000 2.368 -174 K HA 0.131 4.454 4.320 0.005 0.000 0.282 -174 K C -1.366 175.418 176.600 0.306 0.000 1.035 -174 K CA -0.082 56.350 56.287 0.242 0.000 0.973 -174 K CB 0.223 32.813 32.500 0.149 0.000 0.957 -174 K HN 0.611 nan 8.250 nan 0.000 0.474 -173 Y N 4.445 124.798 120.300 0.089 0.000 2.452 -173 Y HA 0.194 4.747 4.550 0.005 0.000 0.348 -173 Y C -0.599 175.258 175.900 -0.072 0.000 0.985 -173 Y CA 0.251 58.282 58.100 -0.115 0.000 1.214 -173 Y CB 0.563 38.857 38.460 -0.277 0.000 1.136 -173 Y HN 0.561 nan 8.280 nan 0.000 0.523 -172 E N 4.406 124.427 120.200 -0.298 0.000 2.356 -172 E HA 0.197 4.550 4.350 0.005 0.000 0.275 -172 E C -0.617 175.793 176.600 -0.317 0.000 0.904 -172 E CA -0.835 55.458 56.400 -0.177 0.000 0.757 -172 E CB 1.548 31.225 29.700 -0.039 0.000 1.232 -172 E HN 0.724 nan 8.360 nan 0.000 0.442 -171 N N 0.937 119.513 118.700 -0.207 0.000 2.721 -171 N HA -0.228 4.515 4.740 0.005 0.000 0.249 -171 N C 0.670 176.029 175.510 -0.251 0.000 1.072 -171 N CA 1.391 54.323 53.050 -0.198 0.000 0.710 -171 N CB -1.156 37.203 38.487 -0.214 0.000 0.993 -171 N HN 0.957 nan 8.380 nan 0.000 0.547 -170 G N -0.700 107.906 108.800 -0.323 0.000 2.147 -170 G HA2 -0.339 3.624 3.960 0.005 0.000 0.244 -170 G HA3 -0.339 3.624 3.960 0.005 0.000 0.244 -170 G C -0.053 174.533 174.900 -0.523 0.000 1.005 -170 G CA 1.157 46.095 45.100 -0.270 0.000 0.713 -170 G HN 0.967 nan 8.290 nan 0.000 0.515 -169 K N -1.994 117.777 120.400 -1.049 0.000 2.607 -169 K HA 0.560 4.882 4.320 0.005 0.000 0.287 -169 K C -0.954 175.134 176.600 -0.852 0.000 0.996 -169 K CA -1.385 54.442 56.287 -0.766 0.000 0.876 -169 K CB 0.863 33.175 32.500 -0.312 0.000 1.496 -169 K HN 0.008 nan 8.250 nan 0.000 0.415 -168 Y N 1.139 121.285 120.300 -0.257 0.000 2.465 -168 Y HA 0.107 4.660 4.550 0.005 0.000 0.331 -168 Y C 0.140 175.969 175.900 -0.120 0.000 1.102 -168 Y CA 0.239 58.281 58.100 -0.097 0.000 1.358 -168 Y CB 0.699 39.126 38.460 -0.056 0.000 1.213 -168 Y HN 0.571 nan 8.280 nan 0.000 0.525 -167 D N 4.746 125.231 120.400 0.143 0.000 2.380 -167 D HA 0.083 4.726 4.640 0.005 0.000 0.230 -167 D C 0.885 177.325 176.300 0.233 0.000 1.154 -167 D CA -0.311 53.773 54.000 0.140 0.000 0.859 -167 D CB 0.400 41.308 40.800 0.180 0.000 1.045 -167 D HN 0.632 nan 8.370 nan 0.000 0.495 -166 I N 0.994 121.641 120.570 0.129 0.000 3.176 -166 I HA 0.025 4.198 4.170 0.005 0.000 0.275 -166 I C 1.579 177.886 176.117 0.317 0.000 1.298 -166 I CA 0.397 61.791 61.300 0.156 0.000 1.445 -166 I CB 0.098 37.985 38.000 -0.189 0.000 1.075 -166 I HN 0.053 nan 8.210 nan 0.000 0.482 -165 K N 1.692 122.177 120.400 0.142 0.000 2.296 -165 K HA -0.055 4.268 4.320 0.005 0.000 0.200 -165 K C 0.526 177.066 176.600 -0.102 0.000 1.048 -165 K CA 0.799 57.050 56.287 -0.060 0.000 0.966 -165 K CB -0.049 32.199 32.500 -0.420 0.000 0.754 -165 K HN 0.327 nan 8.250 nan 0.000 0.466 -164 D N 0.935 121.401 120.400 0.110 0.000 2.493 -164 D HA 0.145 4.787 4.640 0.005 0.000 0.235 -164 D C -1.346 175.116 176.300 0.271 0.000 1.117 -164 D CA -0.351 53.736 54.000 0.146 0.000 0.930 -164 D CB 0.617 41.646 40.800 0.382 0.000 1.010 -164 D HN -0.183 nan 8.370 nan 0.000 0.514 -163 V N 2.167 122.118 119.914 0.061 0.000 2.435 -163 V HA 0.606 4.729 4.120 0.005 0.000 0.290 -163 V C 1.284 177.214 176.094 -0.274 0.000 1.030 -163 V CA -0.738 61.531 62.300 -0.051 0.000 0.881 -163 V CB 1.931 33.760 31.823 0.009 0.000 0.983 -163 V HN 0.570 nan 8.190 nan 0.000 0.445 -162 G N 2.625 111.034 108.800 -0.652 0.000 4.098 -162 G HA2 0.282 4.245 3.960 0.005 0.000 0.300 -162 G HA3 0.282 4.245 3.960 0.005 0.000 0.300 -162 G C 0.638 175.280 174.900 -0.431 0.000 1.187 -162 G CA 0.048 44.442 45.100 -1.176 0.000 0.964 -162 G HN 0.528 nan 8.290 nan 0.000 0.559 -161 V N 0.678 120.501 119.914 -0.151 0.000 2.788 -161 V HA 0.000 4.123 4.120 0.005 0.000 0.251 -161 V C 1.743 177.830 176.094 -0.013 0.000 1.068 -161 V CA 1.837 64.156 62.300 0.032 0.000 1.090 -161 V CB 0.353 32.227 31.823 0.085 0.000 0.710 -161 V HN 0.609 nan 8.190 nan 0.000 0.467 -160 D N -0.078 120.292 120.400 -0.051 0.000 2.593 -160 D HA 0.057 4.700 4.640 0.005 0.000 0.241 -160 D C 0.254 176.540 176.300 -0.024 0.000 1.257 -160 D CA -0.364 53.620 54.000 -0.027 0.000 0.828 -160 D CB -0.519 40.272 40.800 -0.014 0.000 1.049 -160 D HN 0.531 nan 8.370 nan 0.000 0.490 -159 N N -0.006 118.667 118.700 -0.045 0.000 2.379 -159 N HA 0.320 5.063 4.740 0.005 0.000 0.260 -159 N C 1.338 176.852 175.510 0.005 0.000 1.254 -159 N CA -0.021 53.024 53.050 -0.008 0.000 0.958 -159 N CB 0.488 38.974 38.487 -0.002 0.000 1.208 -159 N HN -0.097 nan 8.380 nan 0.000 0.532 -158 A N -0.429 122.407 122.820 0.027 0.000 1.940 -158 A HA -0.017 4.306 4.320 0.005 0.000 0.219 -158 A C 2.010 179.613 177.584 0.031 0.000 1.176 -158 A CA 1.926 53.981 52.037 0.030 0.000 0.631 -158 A CB -1.676 17.345 19.000 0.036 0.000 0.814 -158 A HN 0.814 nan 8.150 nan 0.000 0.446 -157 G N -0.586 108.230 108.800 0.027 0.000 2.404 -157 G HA2 0.022 3.984 3.960 0.005 0.000 0.215 -157 G HA3 0.022 3.984 3.960 0.005 0.000 0.215 -157 G C 1.767 176.659 174.900 -0.013 0.000 1.174 -157 G CA 1.395 46.510 45.100 0.024 0.000 0.780 -157 G HN 0.792 nan 8.290 nan 0.000 0.537 -156 A N 0.786 123.570 122.820 -0.059 0.000 1.902 -156 A HA -0.002 4.321 4.320 0.005 0.000 0.217 -156 A C 2.307 179.856 177.584 -0.059 0.000 1.181 -156 A CA 2.006 53.980 52.037 -0.105 0.000 0.623 -156 A CB -0.355 18.594 19.000 -0.085 0.000 0.818 -156 A HN 0.379 nan 8.150 nan 0.000 0.443 -155 K N -0.339 120.051 120.400 -0.017 0.000 2.057 -155 K HA -0.036 4.287 4.320 0.005 0.000 0.207 -155 K C 2.333 178.950 176.600 0.028 0.000 1.049 -155 K CA 1.068 57.358 56.287 0.004 0.000 0.931 -155 K CB -0.328 32.181 32.500 0.016 0.000 0.714 -155 K HN 0.438 nan 8.250 nan 0.000 0.440 -154 A N 1.208 124.071 122.820 0.071 0.000 1.883 -154 A HA -0.123 4.200 4.320 0.005 0.000 0.217 -154 A C 2.416 180.085 177.584 0.141 0.000 1.186 -154 A CA 2.059 54.204 52.037 0.180 0.000 0.624 -154 A CB -1.288 17.865 19.000 0.255 0.000 0.822 -154 A HN 0.438 nan 8.150 nan 0.000 0.444 -153 G N -0.469 108.302 108.800 -0.048 0.000 2.421 -153 G HA2 -0.118 3.845 3.960 0.005 0.000 0.216 -153 G HA3 -0.118 3.845 3.960 0.005 0.000 0.216 -153 G C 1.475 176.178 174.900 -0.329 0.000 1.171 -153 G CA 1.176 45.989 45.100 -0.479 0.000 0.775 -153 G HN 0.443 nan 8.290 nan 0.000 0.543 -152 L N 1.083 122.209 121.223 -0.162 0.000 2.093 -152 L HA 0.026 4.369 4.340 0.005 0.000 0.208 -152 L C 2.930 179.766 176.870 -0.058 0.000 1.085 -152 L CA 2.325 57.108 54.840 -0.095 0.000 0.755 -152 L CB -1.003 41.029 42.059 -0.046 0.000 0.904 -152 L HN 0.190 nan 8.230 nan 0.000 0.435 -151 T N -0.632 113.910 114.554 -0.019 0.000 2.684 -151 T HA -0.254 4.099 4.350 0.005 0.000 0.267 -151 T C 1.672 176.377 174.700 0.009 0.000 1.036 -151 T CA 1.967 64.075 62.100 0.013 0.000 1.148 -151 T CB -0.600 68.304 68.868 0.060 0.000 0.863 -151 T HN 0.358 nan 8.240 nan 0.000 0.436 -150 F N 1.273 121.148 119.950 -0.124 0.000 2.095 -150 F HA -0.084 4.446 4.527 0.005 0.000 0.298 -150 F C 2.050 177.768 175.800 -0.137 0.000 1.104 -150 F CA 0.946 58.862 58.000 -0.140 0.000 1.232 -150 F CB -0.472 38.317 39.000 -0.351 0.000 0.987 -150 F HN 0.035 nan 8.300 nan 0.000 0.475 -149 L N -0.340 120.828 121.223 -0.091 0.000 1.994 -149 L HA -0.195 4.148 4.340 0.005 0.000 0.208 -149 L C 2.238 179.057 176.870 -0.086 0.000 1.071 -149 L CA 1.619 56.411 54.840 -0.079 0.000 0.745 -149 L CB -0.739 41.288 42.059 -0.055 0.000 0.892 -149 L HN 0.025 nan 8.230 nan 0.000 0.431 -148 V N -0.280 119.588 119.914 -0.076 0.000 2.490 -148 V HA -0.282 3.841 4.120 0.005 0.000 0.250 -148 V C 2.180 178.227 176.094 -0.079 0.000 1.061 -148 V CA 1.835 64.098 62.300 -0.061 0.000 1.064 -148 V CB -0.822 30.976 31.823 -0.041 0.000 0.670 -148 V HN 0.481 nan 8.190 nan 0.000 0.461 -147 D N 0.111 120.439 120.400 -0.120 0.000 2.144 -147 D HA -0.118 4.524 4.640 0.005 0.000 0.199 -147 D C 2.142 178.370 176.300 -0.120 0.000 0.984 -147 D CA 1.115 55.035 54.000 -0.134 0.000 0.834 -147 D CB -0.210 40.474 40.800 -0.194 0.000 0.955 -147 D HN 0.342 nan 8.370 nan 0.000 0.465 -146 L N 0.275 121.404 121.223 -0.158 0.000 2.079 -146 L HA -0.162 4.181 4.340 0.005 0.000 0.210 -146 L C 2.432 179.312 176.870 0.016 0.000 1.081 -146 L CA 0.753 55.597 54.840 0.007 0.000 0.752 -146 L CB -0.260 41.812 42.059 0.020 0.000 0.896 -146 L HN 0.049 nan 8.230 nan 0.000 0.433 -145 I N -0.790 119.759 120.570 -0.034 0.000 2.162 -145 I HA -0.262 3.911 4.170 0.005 0.000 0.238 -145 I C 2.602 178.676 176.117 -0.071 0.000 1.076 -145 I CA 1.055 62.326 61.300 -0.048 0.000 1.353 -145 I CB -0.388 37.583 38.000 -0.049 0.000 1.063 -145 I HN 0.139 nan 8.210 nan 0.000 0.408 -144 K N 0.969 121.329 120.400 -0.067 0.000 2.097 -144 K HA -0.267 4.056 4.320 0.005 0.000 0.214 -144 K C 1.301 177.840 176.600 -0.102 0.000 1.052 -144 K CA 2.292 58.537 56.287 -0.070 0.000 0.932 -144 K CB -0.566 31.900 32.500 -0.057 0.000 0.716 -144 K HN 0.469 nan 8.250 nan 0.000 0.455 -143 N N 0.223 118.836 118.700 -0.145 0.000 2.314 -143 N HA 0.025 4.768 4.740 0.005 0.000 0.200 -143 N C -0.635 174.576 175.510 -0.498 0.000 1.135 -143 N CA -0.029 52.855 53.050 -0.277 0.000 0.835 -143 N CB 0.360 38.709 38.487 -0.230 0.000 0.989 -143 N HN 0.091 nan 8.380 nan 0.000 0.478 -142 K N -0.308 119.914 120.400 -0.296 0.000 3.160 -142 K HA -0.230 4.093 4.320 0.005 0.000 0.280 -142 K C -0.308 176.161 176.600 -0.219 0.000 1.154 -142 K CA 0.449 56.605 56.287 -0.218 0.000 0.822 -142 K CB -1.526 30.874 32.500 -0.166 0.000 1.239 -142 K HN 0.529 nan 8.250 nan 0.000 0.489 -141 H N -0.825 118.244 119.070 -0.002 0.000 2.512 -141 H HA 0.197 4.756 4.556 0.005 0.000 0.279 -141 H C 1.054 176.402 175.328 0.032 0.000 0.999 -141 H CA 0.830 56.891 56.048 0.022 0.000 1.283 -141 H CB 0.258 30.039 29.762 0.032 0.000 1.421 -141 H HN 0.273 nan 8.280 nan 0.000 0.554 -140 M N -0.063 119.594 119.600 0.094 0.000 2.618 -140 M HA 0.245 4.728 4.480 0.005 0.000 0.281 -140 M C -0.582 175.707 176.300 -0.018 0.000 1.267 -140 M CA -0.773 54.549 55.300 0.037 0.000 0.845 -140 M CB 2.949 35.564 32.600 0.025 0.000 1.732 -140 M HN -0.132 nan 8.290 nan 0.000 0.461 -139 N N 0.323 118.999 118.700 -0.040 0.000 2.372 -139 N HA 0.480 5.223 4.740 0.005 0.000 0.285 -139 N C 0.098 175.568 175.510 -0.066 0.000 1.008 -139 N CA 0.046 53.068 53.050 -0.047 0.000 0.880 -139 N CB 2.170 40.636 38.487 -0.035 0.000 1.239 -139 N HN 0.827 nan 8.380 nan 0.000 0.484 -138 A N 2.884 125.669 122.820 -0.058 0.000 2.024 -138 A HA -0.140 4.183 4.320 0.005 0.000 0.220 -138 A C 1.149 178.698 177.584 -0.058 0.000 1.164 -138 A CA 1.352 53.353 52.037 -0.061 0.000 0.643 -138 A CB -0.077 18.896 19.000 -0.045 0.000 0.806 -138 A HN 0.726 nan 8.150 nan 0.000 0.451 -137 D N -0.312 120.059 120.400 -0.048 0.000 2.355 -137 D HA 0.024 4.667 4.640 0.005 0.000 0.218 -137 D C 0.145 176.418 176.300 -0.045 0.000 1.004 -137 D CA 0.469 54.447 54.000 -0.038 0.000 0.880 -137 D CB -0.300 40.485 40.800 -0.026 0.000 0.911 -137 D HN 0.253 nan 8.370 nan 0.000 0.528 -136 T N 2.663 117.175 114.554 -0.069 0.000 2.831 -136 T HA 0.107 4.460 4.350 0.005 0.000 0.291 -136 T C 0.253 174.901 174.700 -0.086 0.000 0.981 -136 T CA -0.062 61.989 62.100 -0.082 0.000 1.174 -136 T CB 0.623 69.420 68.868 -0.119 0.000 0.929 -136 T HN 0.203 nan 8.240 nan 0.000 0.532 -135 D N 1.546 121.916 120.400 -0.051 0.000 2.592 -135 D HA 0.167 4.810 4.640 0.005 0.000 0.259 -135 D C 1.048 177.332 176.300 -0.026 0.000 1.144 -135 D CA -1.048 52.938 54.000 -0.023 0.000 1.080 -135 D CB 0.141 40.956 40.800 0.026 0.000 1.225 -135 D HN 0.322 nan 8.370 nan 0.000 0.619 -134 Y N 0.429 120.667 120.300 -0.103 0.000 2.081 -134 Y HA -0.256 4.297 4.550 0.004 0.000 0.280 -134 Y C 2.568 178.455 175.900 -0.022 0.000 1.163 -134 Y CA 3.300 61.341 58.100 -0.100 0.000 1.135 -134 Y CB -0.407 38.025 38.460 -0.047 0.000 0.970 -134 Y HN 0.455 nan 8.280 nan 0.000 0.498 -133 S N -0.395 115.438 115.700 0.221 0.000 2.383 -133 S HA -0.189 4.284 4.470 0.005 0.000 0.227 -133 S C 2.033 176.660 174.600 0.045 0.000 1.026 -133 S CA 1.462 59.757 58.200 0.158 0.000 0.981 -133 S CB -1.047 62.241 63.200 0.148 0.000 0.818 -133 S HN 0.527 nan 8.310 nan 0.000 0.472 -132 I N 2.358 122.940 120.570 0.020 0.000 2.179 -132 I HA -0.153 4.020 4.170 0.005 0.000 0.242 -132 I C 3.118 179.226 176.117 -0.014 0.000 1.088 -132 I CA 1.238 62.539 61.300 0.002 0.000 1.357 -132 I CB -0.682 37.314 38.000 -0.006 0.000 1.051 -132 I HN 0.443 nan 8.210 nan 0.000 0.409 -131 A N 0.192 122.977 122.820 -0.058 0.000 1.877 -131 A HA -0.273 4.050 4.320 0.005 0.000 0.216 -131 A C 2.312 179.874 177.584 -0.038 0.000 1.186 -131 A CA 1.968 53.971 52.037 -0.056 0.000 0.620 -131 A CB -0.693 18.235 19.000 -0.120 0.000 0.822 -131 A HN 0.500 nan 8.150 nan 0.000 0.443 -130 E N -0.143 119.981 120.200 -0.127 0.000 2.058 -130 E HA -0.159 4.194 4.350 0.005 0.000 0.194 -130 E C 2.145 178.771 176.600 0.043 0.000 0.997 -130 E CA 1.187 57.542 56.400 -0.075 0.000 0.801 -130 E CB -0.275 29.355 29.700 -0.116 0.000 0.746 -130 E HN 0.525 nan 8.360 nan 0.000 0.450 -129 A N 1.053 123.894 122.820 0.035 0.000 1.902 -129 A HA -0.077 4.246 4.320 0.005 0.000 0.217 -129 A C 2.370 179.979 177.584 0.041 0.000 1.181 -129 A CA 1.792 53.855 52.037 0.042 0.000 0.623 -129 A CB -0.712 18.309 19.000 0.035 0.000 0.818 -129 A HN 0.423 nan 8.150 nan 0.000 0.443 -128 A N -1.479 121.370 122.820 0.049 0.000 1.930 -128 A HA 0.012 4.335 4.320 0.005 0.000 0.217 -128 A C 2.044 179.666 177.584 0.063 0.000 1.175 -128 A CA 1.439 53.504 52.037 0.047 0.000 0.627 -128 A CB -0.635 18.397 19.000 0.052 0.000 0.815 -128 A HN 0.612 nan 8.150 nan 0.000 0.443 -127 F N 1.241 121.180 119.950 -0.020 0.000 2.113 -127 F HA -0.150 4.380 4.527 0.005 0.000 0.297 -127 F C 2.021 177.805 175.800 -0.027 0.000 1.103 -127 F CA 2.093 60.082 58.000 -0.019 0.000 1.248 -127 F CB -0.319 38.663 39.000 -0.031 0.000 0.999 -127 F HN 0.303 nan 8.300 nan 0.000 0.475 -126 N N -0.200 118.541 118.700 0.068 0.000 2.381 -126 N HA -0.131 4.612 4.740 0.005 0.000 0.182 -126 N C 1.275 176.739 175.510 -0.076 0.000 1.025 -126 N CA 0.612 53.655 53.050 -0.012 0.000 0.888 -126 N CB -0.101 38.421 38.487 0.058 0.000 0.965 -126 N HN 0.322 nan 8.380 nan 0.000 0.438 -125 K N 0.112 120.473 120.400 -0.066 0.000 2.426 -125 K HA 0.069 4.392 4.320 0.005 0.000 0.193 -125 K C 0.815 177.351 176.600 -0.106 0.000 1.028 -125 K CA 0.239 56.488 56.287 -0.064 0.000 1.047 -125 K CB 0.522 33.005 32.500 -0.029 0.000 0.821 -125 K HN 0.218 nan 8.250 nan 0.000 0.513 -124 G N 1.895 110.579 108.800 -0.193 0.000 2.137 -124 G HA2 -0.272 3.691 3.960 0.005 0.000 0.237 -124 G HA3 -0.272 3.691 3.960 0.005 0.000 0.237 -124 G C 0.378 175.197 174.900 -0.134 0.000 1.002 -124 G CA 0.367 45.334 45.100 -0.222 0.000 0.702 -124 G HN 0.438 nan 8.290 nan 0.000 0.515 -123 E N -0.912 119.234 120.200 -0.089 0.000 2.318 -123 E HA 0.119 4.472 4.350 0.005 0.000 0.193 -123 E C 1.044 177.645 176.600 0.001 0.000 0.998 -123 E CA 0.969 57.350 56.400 -0.030 0.000 0.859 -123 E CB 0.456 30.151 29.700 -0.007 0.000 0.812 -123 E HN 0.332 nan 8.360 nan 0.000 0.492 -122 T N -1.237 113.324 114.554 0.013 0.000 2.876 -122 T HA 0.468 4.820 4.350 0.005 0.000 0.289 -122 T C 0.369 175.145 174.700 0.127 0.000 1.014 -122 T CA -0.222 61.935 62.100 0.096 0.000 0.986 -122 T CB 1.707 70.673 68.868 0.163 0.000 1.021 -122 T HN -0.009 nan 8.240 nan 0.000 0.458 -121 A N 4.318 127.234 122.820 0.159 0.000 2.014 -121 A HA 0.387 4.710 4.320 0.005 0.000 0.218 -121 A C 0.782 178.609 177.584 0.405 0.000 1.163 -121 A CA 0.855 53.011 52.037 0.199 0.000 0.652 -121 A CB -0.215 18.868 19.000 0.138 0.000 0.808 -121 A HN 0.745 nan 8.150 nan 0.000 0.449 -120 M N -2.036 117.797 119.600 0.388 0.000 2.531 -120 M HA 0.448 4.930 4.480 0.005 0.000 0.286 -120 M C -0.632 175.754 176.300 0.143 0.000 1.232 -120 M CA -0.248 55.221 55.300 0.281 0.000 0.877 -120 M CB 2.504 35.173 32.600 0.116 0.000 1.726 -120 M HN 0.061 nan 8.290 nan 0.000 0.463 -119 T N 1.069 115.519 114.554 -0.173 0.000 2.838 -119 T HA 0.824 5.177 4.350 0.005 0.000 0.292 -119 T C -1.850 172.765 174.700 -0.141 0.000 1.113 -119 T CA -0.556 61.461 62.100 -0.137 0.000 1.008 -119 T CB 1.456 70.156 68.868 -0.281 0.000 1.259 -119 T HN 0.585 nan 8.240 nan 0.000 0.520 -118 I N 3.469 124.020 120.570 -0.031 0.000 2.418 -118 I HA 0.547 4.720 4.170 0.005 0.000 0.287 -118 I C -0.292 175.928 176.117 0.172 0.000 1.008 -118 I CA -0.697 60.591 61.300 -0.019 0.000 1.104 -118 I CB 1.663 39.558 38.000 -0.174 0.000 1.264 -118 I HN 0.496 nan 8.210 nan 0.000 0.438 -117 N N 2.955 121.712 118.700 0.095 0.000 3.116 -117 N HA 0.512 5.255 4.740 0.005 0.000 0.244 -117 N C -0.841 174.545 175.510 -0.206 0.000 1.485 -117 N CA -0.362 52.765 53.050 0.129 0.000 0.884 -117 N CB 2.367 40.860 38.487 0.011 0.000 1.415 -117 N HN 0.624 nan 8.380 nan 0.000 0.524 -116 G N 0.056 108.395 108.800 -0.769 0.000 2.531 -116 G HA2 0.441 4.404 3.960 0.005 0.000 0.313 -116 G HA3 0.441 4.404 3.960 0.005 0.000 0.313 -116 G C -1.874 172.021 174.900 -1.674 0.000 1.238 -116 G CA -1.052 43.142 45.100 -1.509 0.000 0.994 -116 G HN 0.358 nan 8.290 nan 0.000 0.493 -115 P HA -0.086 nan 4.420 nan 0.000 0.220 -115 P C 1.370 177.825 177.300 -1.409 0.000 1.148 -115 P CA 1.367 63.167 63.100 -2.167 0.000 0.803 -115 P CB -0.004 30.850 31.700 -1.409 0.000 0.782 -114 W N 0.237 121.226 121.300 -0.517 0.000 2.364 -114 W HA -0.027 4.636 4.660 0.004 0.000 0.281 -114 W C 1.883 178.309 176.519 -0.156 0.000 1.219 -114 W CA 1.025 58.215 57.345 -0.259 0.000 1.220 -114 W CB -1.974 27.399 29.460 -0.144 0.000 1.127 -114 W HN -0.132 nan 8.180 nan 0.000 0.556 -113 A N 0.159 122.730 122.820 -0.415 0.000 2.119 -113 A HA -0.004 4.319 4.320 0.005 0.000 0.216 -113 A C 1.590 179.187 177.584 0.021 0.000 1.152 -113 A CA 0.957 52.955 52.037 -0.065 0.000 0.708 -113 A CB -1.204 17.723 19.000 -0.122 0.000 0.805 -113 A HN 0.423 nan 8.150 nan 0.000 0.460 -112 W N 0.502 121.740 121.300 -0.103 0.000 2.342 -112 W HA -0.095 4.567 4.660 0.004 0.000 0.297 -112 W C 2.516 179.012 176.519 -0.038 0.000 1.213 -112 W CA 0.703 57.993 57.345 -0.091 0.000 1.251 -112 W CB -1.579 27.902 29.460 0.036 0.000 1.136 -112 W HN 0.323 nan 8.180 nan 0.000 0.526 -111 S N 0.665 116.497 115.700 0.220 0.000 2.353 -111 S HA -0.200 4.272 4.470 0.005 0.000 0.222 -111 S C 1.682 176.342 174.600 0.100 0.000 1.035 -111 S CA 1.728 60.017 58.200 0.149 0.000 1.025 -111 S CB -0.450 62.812 63.200 0.104 0.000 0.902 -111 S HN 0.228 nan 8.310 nan 0.000 0.440 -110 N N 1.335 120.087 118.700 0.086 0.000 2.223 -110 N HA 0.008 4.751 4.740 0.005 0.000 0.185 -110 N C 1.588 177.122 175.510 0.040 0.000 1.016 -110 N CA 0.889 53.979 53.050 0.067 0.000 0.863 -110 N CB -0.457 38.081 38.487 0.086 0.000 0.983 -110 N HN 0.442 nan 8.380 nan 0.000 0.429 -109 I N 0.825 121.390 120.570 -0.008 0.000 2.252 -109 I HA -0.202 3.971 4.170 0.005 0.000 0.245 -109 I C 1.566 177.668 176.117 -0.024 0.000 1.102 -109 I CA 0.925 62.160 61.300 -0.109 0.000 1.385 -109 I CB -0.244 37.463 38.000 -0.488 0.000 1.064 -109 I HN -0.066 nan 8.210 nan 0.000 0.414 -108 D N 0.850 121.290 120.400 0.066 0.000 2.116 -108 D HA -0.179 4.464 4.640 0.005 0.000 0.193 -108 D C 2.235 178.590 176.300 0.092 0.000 0.998 -108 D CA 1.874 55.966 54.000 0.152 0.000 0.836 -108 D CB -0.527 40.372 40.800 0.165 0.000 0.951 -108 D HN 0.252 nan 8.370 nan 0.000 0.449 -107 T N 0.067 114.661 114.554 0.067 0.000 2.788 -107 T HA -0.140 4.213 4.350 0.005 0.000 0.268 -107 T C 1.981 176.703 174.700 0.037 0.000 1.044 -107 T CA 1.654 63.783 62.100 0.049 0.000 1.139 -107 T CB -0.270 68.624 68.868 0.043 0.000 0.867 -107 T HN 0.240 nan 8.240 nan 0.000 0.454 -106 S N 0.762 116.480 115.700 0.031 0.000 2.522 -106 S HA 0.037 4.510 4.470 0.005 0.000 0.227 -106 S C 0.952 175.558 174.600 0.010 0.000 0.986 -106 S CA 0.357 58.565 58.200 0.013 0.000 0.929 -106 S CB -0.418 62.782 63.200 -0.001 0.000 0.769 -106 S HN 0.473 nan 8.310 nan 0.000 0.529 -105 K N 0.132 120.552 120.400 0.034 0.000 3.088 -105 K HA -0.120 4.202 4.320 0.005 0.000 0.273 -105 K C -0.596 176.020 176.600 0.027 0.000 1.111 -105 K CA 0.617 56.926 56.287 0.038 0.000 0.803 -105 K CB -2.310 30.202 32.500 0.020 0.000 1.226 -105 K HN 0.417 nan 8.250 nan 0.000 0.485 -104 V N 1.716 121.645 119.914 0.024 0.000 2.572 -104 V HA -0.017 4.106 4.120 0.005 0.000 0.291 -104 V C 0.885 177.043 176.094 0.107 0.000 1.039 -104 V CA -0.283 62.010 62.300 -0.011 0.000 1.055 -104 V CB 1.111 32.847 31.823 -0.145 0.000 0.969 -104 V HN 0.216 nan 8.190 nan 0.000 0.482 -103 N N 4.964 123.683 118.700 0.032 0.000 2.448 -103 N HA 0.172 4.915 4.740 0.005 0.000 0.250 -103 N C -0.869 174.648 175.510 0.012 0.000 1.136 -103 N CA -0.168 52.888 53.050 0.010 0.000 0.953 -103 N CB -0.147 38.317 38.487 -0.038 0.000 1.251 -103 N HN 0.602 nan 8.380 nan 0.000 0.502 -102 Y N 0.515 120.735 120.300 -0.133 0.000 2.524 -102 Y HA 0.880 5.433 4.550 0.004 0.000 0.344 -102 Y C 0.186 175.859 175.900 -0.378 0.000 1.012 -102 Y CA -1.468 56.520 58.100 -0.186 0.000 1.068 -102 Y CB 0.907 39.397 38.460 0.051 0.000 1.249 -102 Y HN 0.256 nan 8.280 nan 0.000 0.468 -101 G N 0.771 109.164 108.800 -0.678 0.000 2.569 -101 G HA2 0.620 4.583 3.960 0.005 0.000 0.300 -101 G HA3 0.620 4.583 3.960 0.005 0.000 0.300 -101 G C -2.080 172.637 174.900 -0.305 0.000 1.269 -101 G CA -1.208 43.478 45.100 -0.690 0.000 0.959 -101 G HN 0.686 nan 8.290 nan 0.000 0.478 -100 V N 0.154 119.979 119.914 -0.148 0.000 2.531 -100 V HA 0.774 4.897 4.120 0.005 0.000 0.301 -100 V C 0.104 176.230 176.094 0.053 0.000 1.034 -100 V CA -0.429 61.855 62.300 -0.026 0.000 0.865 -100 V CB 1.445 33.159 31.823 -0.182 0.000 0.995 -100 V HN 0.952 nan 8.190 nan 0.000 0.424 -99 T N 2.551 117.168 114.554 0.105 0.000 2.754 -99 T HA 0.489 4.842 4.350 0.005 0.000 0.296 -99 T C -0.912 173.794 174.700 0.010 0.000 1.205 -99 T CA -0.322 61.816 62.100 0.063 0.000 1.009 -99 T CB 1.994 70.911 68.868 0.081 0.000 1.368 -99 T HN 0.531 nan 8.240 nan 0.000 0.509 -98 V N 3.348 123.250 119.914 -0.020 0.000 2.694 -98 V HA 0.287 4.410 4.120 0.005 0.000 0.306 -98 V C 0.313 176.365 176.094 -0.070 0.000 1.054 -98 V CA 0.168 62.447 62.300 -0.034 0.000 1.161 -98 V CB -0.209 31.591 31.823 -0.038 0.000 0.916 -98 V HN 0.705 nan 8.190 nan 0.000 0.490 -97 L N 8.229 129.415 121.223 -0.061 0.000 2.482 -97 L HA 0.253 4.596 4.340 0.005 0.000 0.273 -97 L C -1.918 174.863 176.870 -0.148 0.000 1.228 -97 L CA -1.273 53.502 54.840 -0.109 0.000 0.827 -97 L CB 0.020 42.062 42.059 -0.028 0.000 1.099 -97 L HN 0.554 nan 8.230 nan 0.000 0.494 -96 P HA 0.087 nan 4.420 nan 0.000 0.272 -96 P C -0.646 176.638 177.300 -0.027 0.000 1.230 -96 P CA -0.502 62.408 63.100 -0.317 0.000 0.788 -96 P CB 0.469 31.719 31.700 -0.750 0.000 0.949 -95 T N -1.249 113.329 114.554 0.041 0.000 2.882 -95 T HA 0.500 4.853 4.350 0.005 0.000 0.287 -95 T C -0.747 174.152 174.700 0.331 0.000 1.014 -95 T CA -0.311 61.877 62.100 0.147 0.000 1.049 -95 T CB 0.128 69.021 68.868 0.042 0.000 1.001 -95 T HN 0.199 nan 8.240 nan 0.000 0.525 -94 F N 1.603 121.592 119.950 0.065 0.000 2.518 -94 F HA 0.500 5.030 4.527 0.005 0.000 0.323 -94 F C 0.374 176.113 175.800 -0.101 0.000 1.129 -94 F CA -1.393 56.562 58.000 -0.076 0.000 0.920 -94 F CB 1.260 40.116 39.000 -0.240 0.000 1.160 -94 F HN 0.904 nan 8.300 nan 0.000 0.440 -93 K N 4.682 124.659 120.400 -0.704 0.000 3.156 -93 K HA -0.184 4.139 4.320 0.005 0.000 0.266 -93 K C 0.955 177.401 176.600 -0.256 0.000 0.966 -93 K CA 0.906 56.869 56.287 -0.540 0.000 0.719 -93 K CB -1.554 30.519 32.500 -0.712 0.000 1.333 -93 K HN 1.394 nan 8.250 nan 0.000 0.468 -92 G N -0.749 107.960 108.800 -0.152 0.000 2.212 -92 G HA2 -0.352 3.611 3.960 0.005 0.000 0.266 -92 G HA3 -0.352 3.611 3.960 0.005 0.000 0.266 -92 G C -0.069 174.799 174.900 -0.054 0.000 0.978 -92 G CA 0.779 45.828 45.100 -0.085 0.000 0.632 -92 G HN 0.414 nan 8.290 nan 0.000 0.537 -91 Q N 1.021 120.791 119.800 -0.050 0.000 2.235 -91 Q HA 0.460 4.803 4.340 0.005 0.000 0.256 -91 Q C -2.565 173.452 176.000 0.028 0.000 0.951 -91 Q CA -2.088 53.706 55.803 -0.016 0.000 0.890 -91 Q CB 2.114 30.839 28.738 -0.022 0.000 1.279 -91 Q HN 0.270 nan 8.270 nan 0.000 0.444 -90 P HA 0.001 nan 4.420 nan 0.000 0.269 -90 P C -0.446 176.889 177.300 0.058 0.000 1.209 -90 P CA 0.066 63.188 63.100 0.037 0.000 0.776 -90 P CB 0.579 32.288 31.700 0.016 0.000 0.876 -89 S N 2.180 117.939 115.700 0.098 0.000 2.560 -89 S HA 0.068 4.541 4.470 0.005 0.000 0.284 -89 S C 0.414 175.031 174.600 0.030 0.000 1.327 -89 S CA -0.074 58.181 58.200 0.092 0.000 1.055 -89 S CB -0.125 63.194 63.200 0.197 0.000 0.868 -89 S HN 0.282 nan 8.310 nan 0.000 0.506 -88 K N 3.558 123.943 120.400 -0.025 0.000 2.484 -88 K HA 0.289 4.611 4.320 0.005 0.000 0.226 -88 K C -2.682 173.930 176.600 0.020 0.000 1.031 -88 K CA -1.789 54.488 56.287 -0.016 0.000 1.026 -88 K CB 0.959 33.425 32.500 -0.058 0.000 1.412 -88 K HN 0.363 nan 8.250 nan 0.000 0.492 -87 P HA 0.022 nan 4.420 nan 0.000 0.272 -87 P C -0.557 176.918 177.300 0.292 0.000 1.223 -87 P CA -0.336 62.843 63.100 0.133 0.000 0.784 -87 P CB 0.489 32.220 31.700 0.051 0.000 0.923 -86 F N 1.573 121.724 119.950 0.334 0.000 2.445 -86 F HA 0.116 4.646 4.527 0.005 0.000 0.359 -86 F C 0.377 176.384 175.800 0.345 0.000 1.101 -86 F CA -0.704 57.522 58.000 0.377 0.000 1.177 -86 F CB 0.305 39.577 39.000 0.454 0.000 1.110 -86 F HN -0.043 nan 8.300 nan 0.000 0.522 -85 V N 4.626 124.889 119.914 0.583 0.000 2.498 -85 V HA 0.551 4.674 4.120 0.005 0.000 0.279 -85 V C 0.592 176.974 176.094 0.480 0.000 1.048 -85 V CA -0.576 61.985 62.300 0.436 0.000 0.967 -85 V CB 0.991 33.011 31.823 0.330 0.000 0.988 -85 V HN 0.854 nan 8.190 nan 0.000 0.473 -84 G N 3.201 112.263 108.800 0.438 0.000 2.388 -84 G HA2 0.581 4.543 3.960 0.005 0.000 0.330 -84 G HA3 0.581 4.543 3.960 0.005 0.000 0.330 -84 G C -1.065 174.038 174.900 0.339 0.000 1.142 -84 G CA -0.472 44.880 45.100 0.420 0.000 0.908 -84 G HN 0.541 nan 8.290 nan 0.000 0.473 -83 V N 3.280 123.435 119.914 0.401 0.000 2.311 -83 V HA 0.204 4.326 4.120 0.005 0.000 0.275 -83 V C 0.215 176.399 176.094 0.151 0.000 1.022 -83 V CA -0.750 61.634 62.300 0.140 0.000 0.830 -83 V CB 0.961 32.715 31.823 -0.114 0.000 1.012 -83 V HN 0.714 nan 8.190 nan 0.000 0.452 -82 L N 5.768 127.050 121.223 0.097 0.000 2.540 -82 L HA 0.322 4.665 4.340 0.005 0.000 0.276 -82 L C 0.337 177.250 176.870 0.072 0.000 1.212 -82 L CA 1.432 56.327 54.840 0.093 0.000 0.893 -82 L CB 0.586 42.707 42.059 0.104 0.000 1.138 -82 L HN 0.731 nan 8.230 nan 0.000 0.491 -81 S N 3.057 118.788 115.700 0.052 0.000 2.595 -81 S HA 0.894 5.367 4.470 0.005 0.000 0.281 -81 S C -1.001 173.417 174.600 -0.303 0.000 1.117 -81 S CA -0.327 57.764 58.200 -0.181 0.000 0.873 -81 S CB 1.862 64.806 63.200 -0.427 0.000 1.108 -81 S HN 0.921 nan 8.310 nan 0.000 0.477 -80 A N 1.199 123.746 122.820 -0.455 0.000 2.311 -80 A HA 0.804 5.127 4.320 0.005 0.000 0.306 -80 A C 0.136 177.561 177.584 -0.265 0.000 1.189 -80 A CA -0.554 51.098 52.037 -0.642 0.000 0.791 -80 A CB 0.615 18.961 19.000 -1.089 0.000 1.172 -80 A HN 0.912 nan 8.150 nan 0.000 0.481 -79 G N 0.936 109.710 108.800 -0.044 0.000 2.441 -79 G HA2 0.610 4.573 3.960 0.005 0.000 0.334 -79 G HA3 0.610 4.573 3.960 0.005 0.000 0.334 -79 G C -0.681 174.237 174.900 0.030 0.000 1.161 -79 G CA -0.651 44.531 45.100 0.137 0.000 0.935 -79 G HN 0.672 nan 8.290 nan 0.000 0.488 -78 I N 1.274 121.879 120.570 0.058 0.000 2.378 -78 I HA 0.158 4.330 4.170 0.005 0.000 0.291 -78 I C -0.115 176.017 176.117 0.025 0.000 0.992 -78 I CA -0.971 60.337 61.300 0.013 0.000 1.154 -78 I CB 1.782 39.813 38.000 0.051 0.000 1.315 -78 I HN 0.332 nan 8.210 nan 0.000 0.448 -77 N N 4.438 123.130 118.700 -0.014 0.000 2.454 -77 N HA 0.042 4.785 4.740 0.005 0.000 0.260 -77 N C 0.885 176.431 175.510 0.060 0.000 1.218 -77 N CA 0.384 53.483 53.050 0.082 0.000 0.904 -77 N CB 1.515 40.031 38.487 0.049 0.000 1.065 -77 N HN 0.782 nan 8.380 nan 0.000 0.462 -76 A N 3.980 126.847 122.820 0.077 0.000 1.978 -76 A HA -0.092 4.231 4.320 0.005 0.000 0.220 -76 A C 1.814 179.402 177.584 0.006 0.000 1.170 -76 A CA 1.888 53.948 52.037 0.037 0.000 0.636 -76 A CB -0.610 18.408 19.000 0.031 0.000 0.810 -76 A HN 0.764 nan 8.150 nan 0.000 0.448 -75 A N -0.756 122.059 122.820 -0.009 0.000 2.251 -75 A HA 0.341 4.664 4.320 0.005 0.000 0.209 -75 A C 1.340 178.907 177.584 -0.030 0.000 1.187 -75 A CA 0.695 52.714 52.037 -0.030 0.000 0.823 -75 A CB -0.490 18.476 19.000 -0.057 0.000 0.846 -75 A HN 0.462 nan 8.150 nan 0.000 0.486 -74 S N 1.261 116.946 115.700 -0.024 0.000 2.516 -74 S HA 0.265 4.738 4.470 0.005 0.000 0.282 -74 S C -1.302 173.286 174.600 -0.019 0.000 1.286 -74 S CA -0.931 57.250 58.200 -0.031 0.000 1.066 -74 S CB 0.745 63.923 63.200 -0.036 0.000 0.884 -74 S HN 0.309 nan 8.310 nan 0.000 0.491 -73 P HA 0.146 nan 4.420 nan 0.000 0.253 -73 P C -0.283 177.014 177.300 -0.004 0.000 1.260 -73 P CA 0.177 63.270 63.100 -0.011 0.000 0.800 -73 P CB -0.001 31.692 31.700 -0.013 0.000 1.162 -72 N N 0.286 118.982 118.700 -0.008 0.000 2.401 -72 N HA 0.116 4.859 4.740 0.005 0.000 0.264 -72 N C 1.005 176.519 175.510 0.008 0.000 1.238 -72 N CA -0.191 52.860 53.050 0.001 0.000 0.889 -72 N CB 0.485 38.966 38.487 -0.009 0.000 1.196 -72 N HN 0.197 nan 8.380 nan 0.000 0.511 -71 K N 0.689 121.096 120.400 0.012 0.000 2.103 -71 K HA -0.090 4.232 4.320 0.005 0.000 0.207 -71 K C 1.292 177.913 176.600 0.035 0.000 1.048 -71 K CA 0.971 57.271 56.287 0.022 0.000 0.930 -71 K CB 0.291 32.807 32.500 0.026 0.000 0.716 -71 K HN 0.070 nan 8.250 nan 0.000 0.444 -70 E N 1.002 121.225 120.200 0.039 0.000 2.106 -70 E HA -0.098 4.254 4.350 0.005 0.000 0.192 -70 E C 2.107 178.751 176.600 0.075 0.000 0.984 -70 E CA 0.865 57.296 56.400 0.051 0.000 0.806 -70 E CB -0.145 29.582 29.700 0.047 0.000 0.750 -70 E HN 0.296 nan 8.360 nan 0.000 0.458 -69 L N 0.406 121.681 121.223 0.086 0.000 2.083 -69 L HA -0.145 4.198 4.340 0.005 0.000 0.209 -69 L C 2.515 179.435 176.870 0.083 0.000 1.083 -69 L CA 1.136 56.070 54.840 0.157 0.000 0.752 -69 L CB -0.554 41.608 42.059 0.171 0.000 0.899 -69 L HN 0.047 nan 8.230 nan 0.000 0.433 -68 A N 0.363 123.191 122.820 0.013 0.000 1.902 -68 A HA -0.266 4.057 4.320 0.005 0.000 0.217 -68 A C 2.406 179.970 177.584 -0.034 0.000 1.181 -68 A CA 2.065 54.083 52.037 -0.032 0.000 0.623 -68 A CB -0.469 18.513 19.000 -0.031 0.000 0.818 -68 A HN 0.364 nan 8.150 nan 0.000 0.443 -67 K N -0.195 120.197 120.400 -0.013 0.000 2.032 -67 K HA -0.254 4.069 4.320 0.005 0.000 0.209 -67 K C 2.027 178.573 176.600 -0.091 0.000 1.048 -67 K CA 1.951 58.202 56.287 -0.061 0.000 0.927 -67 K CB -0.198 32.319 32.500 0.029 0.000 0.712 -67 K HN 0.441 nan 8.250 nan 0.000 0.441 -66 E N 0.092 120.314 120.200 0.037 0.000 2.058 -66 E HA -0.222 4.131 4.350 0.005 0.000 0.194 -66 E C 1.760 178.448 176.600 0.146 0.000 0.997 -66 E CA 1.643 58.131 56.400 0.147 0.000 0.801 -66 E CB -0.399 29.485 29.700 0.308 0.000 0.746 -66 E HN 0.434 nan 8.360 nan 0.000 0.450 -65 F N 0.350 120.147 119.950 -0.255 0.000 2.102 -65 F HA -0.116 4.413 4.527 0.004 0.000 0.298 -65 F C 1.799 177.460 175.800 -0.232 0.000 1.105 -65 F CA 1.485 59.136 58.000 -0.583 0.000 1.239 -65 F CB -0.090 38.295 39.000 -1.026 0.000 0.991 -65 F HN 0.040 nan 8.300 nan 0.000 0.474 -64 L N -0.025 121.029 121.223 -0.282 0.000 2.044 -64 L HA -0.158 4.185 4.340 0.005 0.000 0.205 -64 L C 2.398 179.015 176.870 -0.423 0.000 1.075 -64 L CA 1.619 56.200 54.840 -0.430 0.000 0.747 -64 L CB -0.701 40.971 42.059 -0.646 0.000 0.903 -64 L HN 0.166 nan 8.230 nan 0.000 0.435 -63 E N -0.125 119.805 120.200 -0.450 0.000 2.076 -63 E HA -0.105 4.248 4.350 0.005 0.000 0.190 -63 E C 1.382 177.942 176.600 -0.067 0.000 0.979 -63 E CA 0.859 57.014 56.400 -0.409 0.000 0.807 -63 E CB 0.037 29.319 29.700 -0.697 0.000 0.761 -63 E HN 0.473 nan 8.360 nan 0.000 0.454 -62 N N -0.927 117.748 118.700 -0.041 0.000 2.282 -62 N HA 0.037 4.780 4.740 0.005 0.000 0.185 -62 N C 0.594 175.977 175.510 -0.211 0.000 1.099 -62 N CA 0.536 53.566 53.050 -0.032 0.000 0.878 -62 N CB 0.441 38.958 38.487 0.050 0.000 0.993 -62 N HN 0.191 nan 8.380 nan 0.000 0.481 -61 Y N -0.372 119.803 120.300 -0.208 0.000 2.769 -61 Y HA 0.220 4.773 4.550 0.004 0.000 0.266 -61 Y C 1.782 177.469 175.900 -0.356 0.000 1.091 -61 Y CA -0.265 57.678 58.100 -0.263 0.000 1.272 -61 Y CB -0.303 37.974 38.460 -0.306 0.000 1.469 -61 Y HN -0.142 nan 8.280 nan 0.000 0.475 -60 L N 0.302 121.280 121.223 -0.409 0.000 2.023 -60 L HA 0.063 4.406 4.340 0.005 0.000 0.205 -60 L C 0.821 177.621 176.870 -0.116 0.000 1.073 -60 L CA 1.809 56.470 54.840 -0.299 0.000 0.745 -60 L CB -0.603 41.264 42.059 -0.321 0.000 0.900 -60 L HN 0.130 nan 8.230 nan 0.000 0.435 -59 L N 1.432 122.618 121.223 -0.063 0.000 2.672 -59 L HA 0.176 4.519 4.340 0.005 0.000 0.238 -59 L C -0.041 176.843 176.870 0.023 0.000 1.392 -59 L CA -0.084 54.782 54.840 0.043 0.000 1.238 -59 L CB -1.321 40.869 42.059 0.218 0.000 1.548 -59 L HN 0.412 nan 8.230 nan 0.000 0.423 -58 T N -6.449 108.073 114.554 -0.054 0.000 2.901 -58 T HA 0.286 4.639 4.350 0.005 0.000 0.293 -58 T C 0.650 175.257 174.700 -0.155 0.000 1.084 -58 T CA -0.879 61.170 62.100 -0.085 0.000 1.008 -58 T CB 2.051 70.850 68.868 -0.114 0.000 1.170 -58 T HN -0.031 nan 8.240 nan 0.000 0.509 -57 D N 0.823 121.118 120.400 -0.176 0.000 2.116 -57 D HA -0.110 4.533 4.640 0.005 0.000 0.193 -57 D C 1.763 177.780 176.300 -0.471 0.000 0.998 -57 D CA 1.753 55.543 54.000 -0.350 0.000 0.836 -57 D CB -0.060 40.627 40.800 -0.188 0.000 0.951 -57 D HN 0.768 nan 8.370 nan 0.000 0.449 -56 E N 0.216 120.261 120.200 -0.258 0.000 2.107 -56 E HA 0.001 4.354 4.350 0.005 0.000 0.191 -56 E C 2.212 178.714 176.600 -0.165 0.000 0.982 -56 E CA 1.074 57.358 56.400 -0.194 0.000 0.809 -56 E CB -0.752 28.882 29.700 -0.111 0.000 0.756 -56 E HN 0.300 nan 8.360 nan 0.000 0.459 -55 G N 1.094 109.805 108.800 -0.148 0.000 2.404 -55 G HA2 -0.206 3.757 3.960 0.005 0.000 0.215 -55 G HA3 -0.206 3.757 3.960 0.005 0.000 0.215 -55 G C 1.557 176.398 174.900 -0.098 0.000 1.174 -55 G CA 0.655 45.696 45.100 -0.099 0.000 0.780 -55 G HN 0.152 nan 8.290 nan 0.000 0.537 -54 L N 0.172 121.308 121.223 -0.146 0.000 2.093 -54 L HA -0.012 4.331 4.340 0.005 0.000 0.208 -54 L C 2.734 179.564 176.870 -0.066 0.000 1.085 -54 L CA 1.400 56.200 54.840 -0.066 0.000 0.755 -54 L CB -0.398 41.676 42.059 0.024 0.000 0.904 -54 L HN 0.365 nan 8.230 nan 0.000 0.435 -53 E N 0.630 120.637 120.200 -0.322 0.000 2.085 -53 E HA -0.268 4.085 4.350 0.005 0.000 0.194 -53 E C 2.231 178.834 176.600 0.004 0.000 0.994 -53 E CA 1.344 57.667 56.400 -0.128 0.000 0.801 -53 E CB -0.006 29.559 29.700 -0.225 0.000 0.743 -53 E HN 0.443 nan 8.360 nan 0.000 0.453 -52 A N 0.440 123.243 122.820 -0.029 0.000 1.883 -52 A HA -0.174 4.149 4.320 0.005 0.000 0.217 -52 A C 2.427 180.023 177.584 0.019 0.000 1.186 -52 A CA 1.762 53.802 52.037 0.006 0.000 0.624 -52 A CB -0.796 18.209 19.000 0.008 0.000 0.822 -52 A HN 0.238 nan 8.150 nan 0.000 0.444 -51 V N 0.533 120.458 119.914 0.018 0.000 2.307 -51 V HA -0.249 3.874 4.120 0.005 0.000 0.245 -51 V C 2.392 178.511 176.094 0.042 0.000 1.045 -51 V CA 2.311 64.621 62.300 0.015 0.000 1.024 -51 V CB -1.161 30.668 31.823 0.009 0.000 0.651 -51 V HN 0.711 nan 8.190 nan 0.000 0.449 -50 N N 0.187 118.944 118.700 0.094 0.000 2.166 -50 N HA -0.166 4.577 4.740 0.005 0.000 0.186 -50 N C 1.760 177.340 175.510 0.118 0.000 1.019 -50 N CA 1.136 54.267 53.050 0.135 0.000 0.856 -50 N CB -0.100 38.535 38.487 0.247 0.000 0.993 -50 N HN 0.262 nan 8.380 nan 0.000 0.426 -49 K N 0.131 120.591 120.400 0.100 0.000 2.288 -49 K HA -0.080 4.243 4.320 0.005 0.000 0.201 -49 K C 1.047 177.679 176.600 0.054 0.000 1.048 -49 K CA 0.624 56.962 56.287 0.086 0.000 0.956 -49 K CB -0.162 32.380 32.500 0.072 0.000 0.746 -49 K HN 0.363 nan 8.250 nan 0.000 0.461 -48 D N 0.705 121.120 120.400 0.025 0.000 2.113 -48 D HA -0.052 4.591 4.640 0.005 0.000 0.206 -48 D C -0.120 176.176 176.300 -0.007 0.000 0.979 -48 D CA 1.323 55.311 54.000 -0.020 0.000 0.862 -48 D CB 0.442 41.198 40.800 -0.073 0.000 1.013 -48 D HN -0.174 nan 8.370 nan 0.000 0.455 -47 K N 0.505 120.906 120.400 0.001 0.000 2.471 -47 K HA 0.416 4.739 4.320 0.005 0.000 0.252 -47 K C -2.628 174.002 176.600 0.050 0.000 0.938 -47 K CA -2.256 54.052 56.287 0.036 0.000 0.796 -47 K CB 1.829 34.347 32.500 0.030 0.000 1.161 -47 K HN 0.001 nan 8.250 nan 0.000 0.425 -46 P HA 0.095 nan 4.420 nan 0.000 0.264 -46 P C 0.684 177.961 177.300 -0.038 0.000 1.193 -46 P CA 0.036 63.148 63.100 0.019 0.000 0.763 -46 P CB 0.578 32.292 31.700 0.023 0.000 0.810 -45 L N 1.999 123.240 121.223 0.029 0.000 2.313 -45 L HA 0.118 4.461 4.340 0.005 0.000 0.214 -45 L C 1.531 178.417 176.870 0.025 0.000 1.119 -45 L CA 1.284 56.157 54.840 0.056 0.000 0.809 -45 L CB -0.757 41.360 42.059 0.097 0.000 0.933 -45 L HN 0.756 nan 8.230 nan 0.000 0.449 -44 G N -0.349 108.431 108.800 -0.034 0.000 2.464 -44 G HA2 -0.163 3.800 3.960 0.005 0.000 0.216 -44 G HA3 -0.163 3.800 3.960 0.005 0.000 0.216 -44 G C -0.367 174.575 174.900 0.071 0.000 1.186 -44 G CA -0.343 44.753 45.100 -0.007 0.000 1.010 -44 G HN 0.357 nan 8.290 nan 0.000 0.585 -43 A N 0.601 123.475 122.820 0.089 0.000 2.343 -43 A HA 0.710 5.033 4.320 0.005 0.000 0.305 -43 A C 0.901 178.550 177.584 0.108 0.000 1.308 -43 A CA 0.556 52.649 52.037 0.093 0.000 0.949 -43 A CB -0.232 18.826 19.000 0.097 0.000 1.148 -43 A HN 2.277 nan 8.150 nan 0.000 0.545 -42 V N 0.691 120.669 119.914 0.108 0.000 2.924 -42 V HA 0.481 4.603 4.120 0.005 0.000 0.305 -42 V C 1.233 177.415 176.094 0.148 0.000 1.073 -42 V CA 0.307 62.682 62.300 0.126 0.000 1.098 -42 V CB 0.602 32.531 31.823 0.175 0.000 1.000 -42 V HN 1.060 nan 8.190 nan 0.000 0.484 -41 A N 3.277 126.130 122.820 0.054 0.000 2.067 -41 A HA 0.188 4.511 4.320 0.005 0.000 0.217 -41 A C 1.158 178.694 177.584 -0.079 0.000 1.156 -41 A CA 0.547 52.569 52.037 -0.026 0.000 0.683 -41 A CB -0.462 18.401 19.000 -0.230 0.000 0.808 -41 A HN 1.006 nan 8.150 nan 0.000 0.455 -40 L N 0.824 122.018 121.223 -0.048 0.000 2.385 -40 L HA 0.185 4.528 4.340 0.005 0.000 0.281 -40 L C 1.044 177.847 176.870 -0.112 0.000 1.106 -40 L CA 0.167 54.941 54.840 -0.110 0.000 0.856 -40 L CB 0.361 42.407 42.059 -0.020 0.000 1.186 -40 L HN 0.251 nan 8.230 nan 0.000 0.453 -39 K N 1.591 121.780 120.400 -0.352 0.000 2.063 -39 K HA -0.186 4.137 4.320 0.005 0.000 0.208 -39 K C 2.013 178.567 176.600 -0.077 0.000 1.048 -39 K CA 1.787 57.832 56.287 -0.403 0.000 0.928 -39 K CB -0.177 31.994 32.500 -0.550 0.000 0.713 -39 K HN 0.901 nan 8.250 nan 0.000 0.442 -38 S N 0.432 116.104 115.700 -0.046 0.000 2.370 -38 S HA -0.229 4.243 4.470 0.005 0.000 0.226 -38 S C 2.056 176.734 174.600 0.130 0.000 1.033 -38 S CA 1.162 59.382 58.200 0.032 0.000 1.011 -38 S CB -0.618 62.594 63.200 0.020 0.000 0.852 -38 S HN 0.346 nan 8.310 nan 0.000 0.457 -37 Y N 2.317 122.613 120.300 -0.006 0.000 2.314 -37 Y HA 0.175 4.728 4.550 0.005 0.000 0.294 -37 Y C 2.466 178.402 175.900 0.061 0.000 1.119 -37 Y CA 1.148 59.262 58.100 0.024 0.000 1.179 -37 Y CB -0.668 37.803 38.460 0.018 0.000 1.025 -37 Y HN 0.284 nan 8.280 nan 0.000 0.541 -36 E N 0.934 121.167 120.200 0.056 0.000 2.160 -36 E HA -0.222 4.131 4.350 0.005 0.000 0.195 -36 E C 1.821 178.440 176.600 0.032 0.000 0.991 -36 E CA 1.916 58.344 56.400 0.048 0.000 0.810 -36 E CB -0.199 29.675 29.700 0.291 0.000 0.742 -36 E HN 0.626 nan 8.360 nan 0.000 0.466 -35 E N -0.007 120.233 120.200 0.067 0.000 2.110 -35 E HA -0.192 4.161 4.350 0.005 0.000 0.193 -35 E C 1.999 178.603 176.600 0.007 0.000 0.988 -35 E CA 1.299 57.732 56.400 0.056 0.000 0.804 -35 E CB -0.066 29.674 29.700 0.066 0.000 0.745 -35 E HN 0.447 nan 8.360 nan 0.000 0.458 -34 E N 0.785 120.968 120.200 -0.028 0.000 2.006 -34 E HA -0.160 4.193 4.350 0.005 0.000 0.192 -34 E C 2.203 178.738 176.600 -0.107 0.000 0.993 -34 E CA 0.867 57.233 56.400 -0.057 0.000 0.808 -34 E CB -0.218 29.453 29.700 -0.048 0.000 0.764 -34 E HN 0.220 nan 8.360 nan 0.000 0.449 -33 L N 0.916 122.002 121.223 -0.228 0.000 2.261 -33 L HA -0.175 4.168 4.340 0.005 0.000 0.216 -33 L C 2.475 179.307 176.870 -0.063 0.000 1.114 -33 L CA 0.617 55.351 54.840 -0.177 0.000 0.777 -33 L CB -0.557 41.346 42.059 -0.261 0.000 0.910 -33 L HN 0.166 nan 8.230 nan 0.000 0.440 -32 A N 0.339 123.135 122.820 -0.041 0.000 2.067 -32 A HA -0.158 4.165 4.320 0.005 0.000 0.219 -32 A C 2.213 179.788 177.584 -0.015 0.000 1.158 -32 A CA 1.149 53.180 52.037 -0.011 0.000 0.661 -32 A CB -0.240 18.763 19.000 0.004 0.000 0.801 -32 A HN 0.399 nan 8.150 nan 0.000 0.452 -31 K N 0.212 120.598 120.400 -0.022 0.000 2.439 -31 K HA -0.039 4.284 4.320 0.005 0.000 0.197 -31 K C -0.022 176.556 176.600 -0.037 0.000 1.041 -31 K CA 0.305 56.577 56.287 -0.025 0.000 0.970 -31 K CB -0.091 32.397 32.500 -0.021 0.000 0.773 -31 K HN 0.365 nan 8.250 nan 0.000 0.479 -30 D N 1.923 122.301 120.400 -0.038 0.000 2.401 -30 D HA 0.020 4.663 4.640 0.005 0.000 0.254 -30 D C -1.839 174.412 176.300 -0.082 0.000 1.192 -30 D CA -2.056 51.908 54.000 -0.060 0.000 0.885 -30 D CB 1.472 42.251 40.800 -0.035 0.000 1.147 -30 D HN -0.123 nan 8.370 nan 0.000 0.478 -29 P HA -0.076 nan 4.420 nan 0.000 0.219 -29 P C 1.046 178.248 177.300 -0.163 0.000 1.146 -29 P CA 1.012 64.037 63.100 -0.125 0.000 0.808 -29 P CB 0.290 31.903 31.700 -0.145 0.000 0.779 -28 R N -0.975 119.355 120.500 -0.283 0.000 2.090 -28 R HA 0.009 4.351 4.340 0.005 0.000 0.228 -28 R C 2.075 178.316 176.300 -0.098 0.000 1.110 -28 R CA 0.875 56.706 56.100 -0.449 0.000 0.973 -28 R CB -0.668 28.909 30.300 -1.204 0.000 0.869 -28 R HN 0.165 nan 8.270 nan 0.000 0.440 -27 I N 0.956 121.546 120.570 0.034 0.000 2.353 -27 I HA -0.138 4.035 4.170 0.005 0.000 0.248 -27 I C 2.493 178.659 176.117 0.082 0.000 1.119 -27 I CA 1.106 62.512 61.300 0.177 0.000 1.417 -27 I CB -1.304 36.778 38.000 0.137 0.000 1.078 -27 I HN 0.128 nan 8.210 nan 0.000 0.421 -26 A N 1.206 124.035 122.820 0.016 0.000 1.892 -26 A HA -0.203 4.120 4.320 0.005 0.000 0.218 -26 A C 2.590 180.180 177.584 0.010 0.000 1.188 -26 A CA 2.325 54.362 52.037 -0.000 0.000 0.631 -26 A CB -0.855 18.130 19.000 -0.024 0.000 0.822 -26 A HN 0.414 nan 8.150 nan 0.000 0.447 -25 A N -1.173 121.652 122.820 0.009 0.000 1.902 -25 A HA -0.090 4.233 4.320 0.005 0.000 0.217 -25 A C 2.304 179.927 177.584 0.065 0.000 1.181 -25 A CA 2.337 54.389 52.037 0.024 0.000 0.623 -25 A CB -1.317 17.690 19.000 0.012 0.000 0.818 -25 A HN 0.457 nan 8.150 nan 0.000 0.443 -24 T N 0.150 114.778 114.554 0.123 0.000 2.684 -24 T HA -0.156 4.197 4.350 0.005 0.000 0.267 -24 T C 1.934 176.682 174.700 0.081 0.000 1.036 -24 T CA 1.710 63.893 62.100 0.138 0.000 1.148 -24 T CB -0.258 68.736 68.868 0.210 0.000 0.863 -24 T HN 0.302 nan 8.240 nan 0.000 0.436 -23 M N 0.975 120.610 119.600 0.058 0.000 2.229 -23 M HA 0.012 4.495 4.480 0.005 0.000 0.264 -23 M C 2.288 178.587 176.300 -0.001 0.000 1.063 -23 M CA 1.149 56.458 55.300 0.016 0.000 1.114 -23 M CB -1.007 31.587 32.600 -0.009 0.000 1.387 -23 M HN 0.409 nan 8.290 nan 0.000 0.420 -22 E N 0.613 120.817 120.200 0.006 0.000 2.051 -22 E HA -0.200 4.153 4.350 0.005 0.000 0.192 -22 E C 1.729 178.332 176.600 0.006 0.000 0.991 -22 E CA 1.158 57.556 56.400 -0.003 0.000 0.799 -22 E CB 0.137 29.835 29.700 -0.005 0.000 0.748 -22 E HN 0.448 nan 8.360 nan 0.000 0.449 -21 N N 0.472 119.185 118.700 0.022 0.000 2.188 -21 N HA -0.143 4.600 4.740 0.005 0.000 0.184 -21 N C 1.758 177.294 175.510 0.043 0.000 1.018 -21 N CA 1.195 54.263 53.050 0.030 0.000 0.858 -21 N CB -0.341 38.167 38.487 0.036 0.000 0.989 -21 N HN 0.236 nan 8.380 nan 0.000 0.426 -20 A N 1.887 124.736 122.820 0.049 0.000 1.908 -20 A HA -0.179 4.144 4.320 0.005 0.000 0.218 -20 A C 2.138 179.739 177.584 0.029 0.000 1.181 -20 A CA 1.258 53.331 52.037 0.061 0.000 0.627 -20 A CB -0.434 18.600 19.000 0.057 0.000 0.818 -20 A HN 0.298 nan 8.150 nan 0.000 0.445 -19 Q N -0.232 119.563 119.800 -0.008 0.000 2.167 -19 Q HA -0.123 4.220 4.340 0.005 0.000 0.202 -19 Q C 1.717 177.715 176.000 -0.005 0.000 0.970 -19 Q CA 1.427 57.212 55.803 -0.030 0.000 0.855 -19 Q CB -0.269 28.439 28.738 -0.050 0.000 0.911 -19 Q HN 0.702 nan 8.270 nan 0.000 0.438 -18 K N 0.401 120.806 120.400 0.009 0.000 2.366 -18 K HA 0.024 4.347 4.320 0.005 0.000 0.198 -18 K C 1.294 177.914 176.600 0.032 0.000 1.044 -18 K CA 0.622 56.917 56.287 0.014 0.000 0.973 -18 K CB 0.129 32.636 32.500 0.011 0.000 0.767 -18 K HN 0.129 nan 8.250 nan 0.000 0.475 -17 G N 0.655 109.489 108.800 0.057 0.000 2.574 -17 G HA2 0.249 4.212 3.960 0.005 0.000 0.248 -17 G HA3 0.249 4.212 3.960 0.005 0.000 0.248 -17 G C -0.886 174.091 174.900 0.128 0.000 1.422 -17 G CA -0.373 44.784 45.100 0.095 0.000 1.051 -17 G HN 0.042 nan 8.290 nan 0.000 0.560 -16 E N -1.224 119.111 120.200 0.224 0.000 2.331 -16 E HA 0.273 4.626 4.350 0.005 0.000 0.275 -16 E C -0.816 176.052 176.600 0.447 0.000 0.895 -16 E CA -0.728 55.845 56.400 0.289 0.000 0.753 -16 E CB 2.920 32.802 29.700 0.303 0.000 1.216 -16 E HN 0.351 nan 8.360 nan 0.000 0.434 -15 I N 3.377 124.164 120.570 0.361 0.000 2.648 -15 I HA 0.042 4.215 4.170 0.005 0.000 0.284 -15 I C 0.015 176.386 176.117 0.422 0.000 1.153 -15 I CA 0.115 61.645 61.300 0.383 0.000 1.426 -15 I CB 0.390 38.559 38.000 0.282 0.000 1.381 -15 I HN 0.595 nan 8.210 nan 0.000 0.571 -14 M N 8.759 128.552 119.600 0.323 0.000 2.245 -14 M HA 0.189 4.671 4.480 0.005 0.000 0.344 -14 M C -2.147 174.152 176.300 -0.002 0.000 1.170 -14 M CA -1.230 53.941 55.300 -0.215 0.000 1.135 -14 M CB -0.027 32.314 32.600 -0.432 0.000 1.574 -14 M HN 0.379 nan 8.290 nan 0.000 0.452 -13 P HA 0.035 nan 4.420 nan 0.000 0.270 -13 P C -0.450 176.758 177.300 -0.153 0.000 1.223 -13 P CA -0.023 62.872 63.100 -0.341 0.000 0.785 -13 P CB 0.353 31.523 31.700 -0.882 0.000 0.923 -12 N N 0.854 119.570 118.700 0.027 0.000 2.204 -12 N HA 0.052 4.794 4.740 0.005 0.000 0.219 -12 N C 0.353 175.845 175.510 -0.031 0.000 1.151 -12 N CA -0.297 52.773 53.050 0.033 0.000 0.867 -12 N CB -0.879 37.739 38.487 0.219 0.000 1.043 -12 N HN 0.387 nan 8.380 nan 0.000 0.516 -11 I N -2.587 117.943 120.570 -0.067 0.000 2.892 -11 I HA 0.232 4.405 4.170 0.005 0.000 0.287 -11 I C -1.536 174.491 176.117 -0.150 0.000 1.205 -11 I CA -1.485 59.775 61.300 -0.067 0.000 1.409 -11 I CB 0.380 38.265 38.000 -0.192 0.000 1.367 -11 I HN -0.276 nan 8.210 nan 0.000 0.597 -10 P HA -0.147 nan 4.420 nan 0.000 0.221 -10 P C 0.993 178.254 177.300 -0.064 0.000 1.145 -10 P CA 1.294 64.328 63.100 -0.110 0.000 0.795 -10 P CB 0.043 31.714 31.700 -0.049 0.000 0.775 -9 Q N -2.083 117.632 119.800 -0.141 0.000 2.472 -9 Q HA 0.030 4.373 4.340 0.005 0.000 0.208 -9 Q C 1.876 177.971 176.000 0.158 0.000 0.958 -9 Q CA 0.824 56.584 55.803 -0.072 0.000 0.932 -9 Q CB -0.680 27.666 28.738 -0.653 0.000 1.007 -9 Q HN 0.188 nan 8.270 nan 0.000 0.508 -8 M N -0.125 119.505 119.600 0.050 0.000 2.108 -8 M HA -0.171 4.311 4.480 0.005 0.000 0.261 -8 M C 2.133 178.611 176.300 0.297 0.000 1.066 -8 M CA 2.008 57.385 55.300 0.128 0.000 1.107 -8 M CB -1.343 31.253 32.600 -0.006 0.000 1.356 -8 M HN 0.341 nan 8.290 nan 0.000 0.406 -7 S N 0.481 116.334 115.700 0.254 0.000 2.368 -7 S HA -0.072 4.401 4.470 0.005 0.000 0.225 -7 S C 2.132 176.928 174.600 0.327 0.000 1.030 -7 S CA 1.309 59.685 58.200 0.294 0.000 0.999 -7 S CB -0.780 62.497 63.200 0.128 0.000 0.844 -7 S HN 0.447 nan 8.310 nan 0.000 0.459 -6 A N 1.428 124.442 122.820 0.324 0.000 1.902 -6 A HA 0.075 4.398 4.320 0.005 0.000 0.217 -6 A C 1.957 179.761 177.584 0.367 0.000 1.181 -6 A CA 1.420 53.657 52.037 0.333 0.000 0.623 -6 A CB -1.121 18.107 19.000 0.380 0.000 0.818 -6 A HN 0.610 nan 8.150 nan 0.000 0.443 -5 F N -0.676 119.459 119.950 0.309 0.000 2.069 -5 F HA -0.225 4.305 4.527 0.005 0.000 0.298 -5 F C 2.023 177.830 175.800 0.012 0.000 1.113 -5 F CA 1.862 59.906 58.000 0.073 0.000 1.214 -5 F CB -0.635 38.264 39.000 -0.168 0.000 0.978 -5 F HN 0.395 nan 8.300 nan 0.000 0.474 -4 W N -1.235 120.006 121.300 -0.098 0.000 2.363 -4 W HA -0.211 4.452 4.660 0.005 0.000 0.296 -4 W C 2.480 178.918 176.519 -0.134 0.000 1.212 -4 W CA 1.203 58.411 57.345 -0.229 0.000 1.260 -4 W CB -0.888 28.600 29.460 0.046 0.000 1.131 -4 W HN 0.188 nan 8.180 nan 0.000 0.530 -3 Y N 1.101 121.486 120.300 0.140 0.000 2.128 -3 Y HA -0.284 4.269 4.550 0.005 0.000 0.284 -3 Y C 2.364 178.265 175.900 0.001 0.000 1.154 -3 Y CA 2.313 60.455 58.100 0.070 0.000 1.149 -3 Y CB -0.874 37.623 38.460 0.061 0.000 0.976 -3 Y HN -0.086 nan 8.280 nan 0.000 0.505 -2 A N -0.647 122.196 122.820 0.039 0.000 1.883 -2 A HA -0.186 4.137 4.320 0.005 0.000 0.217 -2 A C 2.318 179.807 177.584 -0.158 0.000 1.186 -2 A CA 2.282 54.278 52.037 -0.068 0.000 0.624 -2 A CB -1.362 17.615 19.000 -0.038 0.000 0.822 -2 A HN 0.337 nan 8.150 nan 0.000 0.444 -1 V N 0.024 119.795 119.914 -0.238 0.000 2.358 -1 V HA -0.237 3.885 4.120 0.005 0.000 0.246 -1 V C 2.610 178.682 176.094 -0.038 0.000 1.047 -1 V CA 2.154 64.364 62.300 -0.149 0.000 1.035 -1 V CB -0.881 30.780 31.823 -0.269 0.000 0.658 -1 V HN 0.663 nan 8.190 nan 0.000 0.452 0 R N 0.059 120.534 120.500 -0.042 0.000 2.096 0 R HA -0.206 4.137 4.340 0.005 0.000 0.240 0 R C 2.337 178.572 176.300 -0.108 0.000 1.139 0 R CA 2.350 58.430 56.100 -0.033 0.000 0.952 0 R CB -0.507 29.756 30.300 -0.062 0.000 0.854 0 R HN 0.534 nan 8.270 nan 0.000 0.436 1 T N 0.487 114.902 114.554 -0.231 0.000 2.737 1 T HA -0.052 4.301 4.350 0.005 0.000 0.265 1 T C 1.814 176.451 174.700 -0.105 0.000 1.038 1 T CA 1.222 63.192 62.100 -0.217 0.000 1.144 1 T CB -0.308 68.369 68.868 -0.320 0.000 0.866 1 T HN 0.474 nan 8.240 nan 0.000 0.434 2 A N 1.112 123.883 122.820 -0.081 0.000 1.883 2 A HA -0.096 4.226 4.320 0.005 0.000 0.217 2 A C 2.586 180.162 177.584 -0.014 0.000 1.186 2 A CA 1.682 53.698 52.037 -0.036 0.000 0.624 2 A CB -1.135 17.854 19.000 -0.019 0.000 0.822 2 A HN 0.347 nan 8.150 nan 0.000 0.444 3 V N 0.188 120.106 119.914 0.007 0.000 2.270 3 V HA -0.267 3.856 4.120 0.005 0.000 0.245 3 V C 2.443 178.540 176.094 0.005 0.000 1.043 3 V CA 2.003 64.320 62.300 0.029 0.000 1.014 3 V CB -0.752 31.121 31.823 0.083 0.000 0.645 3 V HN 0.576 nan 8.190 nan 0.000 0.447 4 I N 0.692 121.258 120.570 -0.007 0.000 2.151 4 I HA -0.303 3.869 4.170 0.005 0.000 0.243 4 I C 2.378 178.481 176.117 -0.024 0.000 1.080 4 I CA 1.822 63.111 61.300 -0.019 0.000 1.339 4 I CB -0.556 37.425 38.000 -0.031 0.000 1.039 4 I HN 0.380 nan 8.210 nan 0.000 0.409 5 N N 0.914 119.596 118.700 -0.029 0.000 2.142 5 N HA -0.096 4.647 4.740 0.005 0.000 0.186 5 N C 1.875 177.373 175.510 -0.019 0.000 1.023 5 N CA 1.572 54.608 53.050 -0.025 0.000 0.852 5 N CB -0.457 38.014 38.487 -0.027 0.000 0.998 5 N HN 0.365 nan 8.380 nan 0.000 0.424 6 A N 0.810 123.620 122.820 -0.016 0.000 1.877 6 A HA 0.035 4.358 4.320 0.005 0.000 0.216 6 A C 2.278 179.851 177.584 -0.019 0.000 1.186 6 A CA 1.951 53.979 52.037 -0.015 0.000 0.620 6 A CB -0.928 18.065 19.000 -0.011 0.000 0.822 6 A HN 0.305 nan 8.150 nan 0.000 0.443 7 A N -0.081 122.727 122.820 -0.021 0.000 2.015 7 A HA -0.012 4.310 4.320 0.005 0.000 0.219 7 A C 2.330 179.897 177.584 -0.029 0.000 1.163 7 A CA 2.076 54.096 52.037 -0.028 0.000 0.646 7 A CB -0.632 18.349 19.000 -0.031 0.000 0.806 7 A HN 1.029 nan 8.150 nan 0.000 0.448 8 S N -2.443 113.243 115.700 -0.025 0.000 2.556 8 S HA 0.394 4.867 4.470 0.005 0.000 0.216 8 S C 1.408 175.995 174.600 -0.021 0.000 0.970 8 S CA 1.089 59.275 58.200 -0.023 0.000 0.912 8 S CB -0.064 63.124 63.200 -0.021 0.000 0.790 8 S HN 1.860 nan 8.310 nan 0.000 0.504 9 G N 1.866 110.654 108.800 -0.020 0.000 2.179 9 G HA2 -0.316 3.646 3.960 0.005 0.000 0.260 9 G HA3 -0.316 3.646 3.960 0.005 0.000 0.260 9 G C 1.005 175.896 174.900 -0.014 0.000 0.977 9 G CA 0.385 45.475 45.100 -0.017 0.000 0.641 9 G HN 0.502 nan 8.290 nan 0.000 0.533 10 R N -0.231 120.260 120.500 -0.014 0.000 2.105 10 R HA -0.003 4.340 4.340 0.005 0.000 0.239 10 R C 1.245 177.539 176.300 -0.010 0.000 1.135 10 R CA 1.591 57.684 56.100 -0.011 0.000 0.967 10 R CB -0.030 30.262 30.300 -0.013 0.000 0.861 10 R HN 0.588 nan 8.270 nan 0.000 0.442 11 Q N -0.698 119.096 119.800 -0.011 0.000 2.423 11 Q HA 0.190 4.533 4.340 0.005 0.000 0.278 11 Q C -0.693 175.303 176.000 -0.008 0.000 1.097 11 Q CA -0.599 55.200 55.803 -0.008 0.000 0.809 11 Q CB 2.459 31.191 28.738 -0.009 0.000 1.391 11 Q HN 0.100 nan 8.270 nan 0.000 0.428 12 T N -2.480 112.071 114.554 -0.005 0.000 2.766 12 T HA 0.123 4.476 4.350 0.005 0.000 0.295 12 T C 1.292 175.990 174.700 -0.003 0.000 1.024 12 T CA -0.598 61.500 62.100 -0.004 0.000 1.018 12 T CB 0.511 69.379 68.868 0.000 0.000 1.002 12 T HN 0.319 nan 8.240 nan 0.000 0.532 13 V N 1.475 121.388 119.914 -0.002 0.000 2.295 13 V HA -0.155 3.968 4.120 0.005 0.000 0.246 13 V C 2.567 178.661 176.094 0.001 0.000 1.049 13 V CA 2.200 64.499 62.300 -0.002 0.000 1.024 13 V CB -0.772 31.051 31.823 -0.000 0.000 0.648 13 V HN 0.902 nan 8.190 nan 0.000 0.447 14 D N -0.312 120.090 120.400 0.004 0.000 2.117 14 D HA -0.181 4.462 4.640 0.005 0.000 0.197 14 D C 2.100 178.402 176.300 0.004 0.000 0.987 14 D CA 1.293 55.297 54.000 0.006 0.000 0.829 14 D CB -0.116 40.690 40.800 0.010 0.000 0.961 14 D HN 0.563 nan 8.370 nan 0.000 0.460 15 E N 0.927 121.128 120.200 0.002 0.000 2.051 15 E HA -0.133 4.220 4.350 0.005 0.000 0.192 15 E C 2.193 178.792 176.600 -0.003 0.000 0.991 15 E CA 0.944 57.345 56.400 0.001 0.000 0.799 15 E CB -0.035 29.665 29.700 0.000 0.000 0.748 15 E HN 0.183 nan 8.360 nan 0.000 0.449 16 A N 0.878 123.695 122.820 -0.005 0.000 1.898 16 A HA -0.133 4.190 4.320 0.005 0.000 0.216 16 A C 2.144 179.722 177.584 -0.009 0.000 1.181 16 A CA 1.036 53.068 52.037 -0.009 0.000 0.620 16 A CB -0.455 18.538 19.000 -0.011 0.000 0.819 16 A HN 0.124 nan 8.150 nan 0.000 0.442 17 L N -1.040 120.181 121.223 -0.004 0.000 2.162 17 L HA -0.064 4.279 4.340 0.005 0.000 0.205 17 L C 2.555 179.423 176.870 -0.005 0.000 1.086 17 L CA 1.337 56.177 54.840 -0.001 0.000 0.778 17 L CB -0.327 41.735 42.059 0.004 0.000 0.928 17 L HN 0.409 nan 8.230 nan 0.000 0.446 18 K N 0.384 120.783 120.400 -0.003 0.000 2.063 18 K HA -0.227 4.095 4.320 0.005 0.000 0.208 18 K C 1.526 178.122 176.600 -0.006 0.000 1.048 18 K CA 1.966 58.252 56.287 -0.002 0.000 0.928 18 K CB 0.046 32.548 32.500 0.003 0.000 0.713 18 K HN 0.200 nan 8.250 nan 0.000 0.442 19 D N 0.053 120.449 120.400 -0.007 0.000 2.117 19 D HA -0.086 4.557 4.640 0.005 0.000 0.198 19 D C 1.735 178.027 176.300 -0.014 0.000 0.982 19 D CA 1.307 55.302 54.000 -0.008 0.000 0.828 19 D CB -0.175 40.622 40.800 -0.006 0.000 0.967 19 D HN 0.329 nan 8.370 nan 0.000 0.464 20 A N 0.562 123.371 122.820 -0.018 0.000 1.883 20 A HA -0.274 4.049 4.320 0.005 0.000 0.217 20 A C 2.160 179.727 177.584 -0.030 0.000 1.186 20 A CA 2.153 54.174 52.037 -0.027 0.000 0.624 20 A CB -0.863 18.116 19.000 -0.035 0.000 0.822 20 A HN 0.224 nan 8.150 nan 0.000 0.444 21 Q N -0.488 119.299 119.800 -0.022 0.000 2.030 21 Q HA -0.157 4.186 4.340 0.005 0.000 0.204 21 Q C 2.037 178.013 176.000 -0.039 0.000 0.986 21 Q CA 2.817 58.605 55.803 -0.025 0.000 0.843 21 Q CB -0.800 27.924 28.738 -0.024 0.000 0.904 21 Q HN 0.574 nan 8.270 nan 0.000 0.420 22 T N 1.027 115.563 114.554 -0.031 0.000 2.684 22 T HA -0.127 4.226 4.350 0.005 0.000 0.267 22 T C 1.499 176.167 174.700 -0.053 0.000 1.036 22 T CA 1.423 63.505 62.100 -0.030 0.000 1.148 22 T CB -0.382 68.478 68.868 -0.014 0.000 0.863 22 T HN 0.354 nan 8.240 nan 0.000 0.436 23 N N 1.361 120.028 118.700 -0.054 0.000 2.142 23 N HA 0.041 4.784 4.740 0.005 0.000 0.186 23 N C 2.170 177.580 175.510 -0.166 0.000 1.023 23 N CA 1.278 54.287 53.050 -0.068 0.000 0.852 23 N CB -0.707 37.771 38.487 -0.014 0.000 0.998 23 N HN 0.420 nan 8.380 nan 0.000 0.424 24 A N 1.174 123.866 122.820 -0.214 0.000 1.865 24 A HA -0.033 4.290 4.320 0.005 0.000 0.217 24 A C 2.380 179.465 177.584 -0.833 0.000 1.191 24 A CA 2.220 53.941 52.037 -0.526 0.000 0.623 24 A CB -1.044 17.791 19.000 -0.275 0.000 0.826 24 A HN 0.318 nan 8.150 nan 0.000 0.444 25 A N -0.213 122.411 122.820 -0.326 0.000 1.902 25 A HA 0.126 4.448 4.320 0.005 0.000 0.217 25 A C 2.527 180.068 177.584 -0.073 0.000 1.181 25 A CA 2.274 54.253 52.037 -0.097 0.000 0.623 25 A CB -1.137 17.866 19.000 0.005 0.000 0.818 25 A HN 1.191 nan 8.150 nan 0.000 0.443 26 A N -0.277 122.484 122.820 -0.098 0.000 1.927 26 A HA -0.274 4.049 4.320 0.005 0.000 0.220 26 A C 2.054 179.603 177.584 -0.060 0.000 1.185 26 A CA 2.135 54.141 52.037 -0.052 0.000 0.639 26 A CB -0.605 18.364 19.000 -0.051 0.000 0.820 26 A HN 0.720 nan 8.150 nan 0.000 0.451 27 E N -0.930 119.170 120.200 -0.167 0.000 2.028 27 E HA -0.143 4.210 4.350 0.005 0.000 0.191 27 E C 1.836 178.482 176.600 0.075 0.000 0.988 27 E CA 1.162 57.500 56.400 -0.104 0.000 0.799 27 E CB -0.310 29.276 29.700 -0.191 0.000 0.755 27 E HN 0.709 nan 8.360 nan 0.000 0.447 28 F N 1.086 121.102 119.950 0.110 0.000 2.126 28 F HA -0.183 4.347 4.527 0.005 0.000 0.299 28 F C 1.942 177.808 175.800 0.110 0.000 1.096 28 F CA 0.400 58.484 58.000 0.140 0.000 1.255 28 F CB -0.079 39.067 39.000 0.244 0.000 0.997 28 F HN 0.053 nan 8.300 nan 0.000 0.479 29 D N -0.276 120.309 120.400 0.307 0.000 2.371 29 D HA -0.120 4.523 4.640 0.005 0.000 0.221 29 D C 1.357 177.681 176.300 0.041 0.000 0.986 29 D CA 0.848 54.983 54.000 0.224 0.000 0.899 29 D CB -0.441 40.518 40.800 0.266 0.000 0.902 29 D HN 0.281 nan 8.370 nan 0.000 0.530 30 D N -0.761 119.660 120.400 0.034 0.000 2.333 30 D HA -0.047 4.596 4.640 0.005 0.000 0.208 30 D C 1.893 178.169 176.300 -0.040 0.000 0.984 30 D CA 0.184 54.183 54.000 -0.002 0.000 0.873 30 D CB 0.445 41.251 40.800 0.010 0.000 0.935 30 D HN -0.126 nan 8.370 nan 0.000 0.521 31 V N 0.671 120.550 119.914 -0.058 0.000 2.219 31 V HA -0.202 3.921 4.120 0.005 0.000 0.248 31 V C 1.625 177.647 176.094 -0.120 0.000 1.053 31 V CA 1.263 63.517 62.300 -0.078 0.000 1.009 31 V CB -0.525 31.252 31.823 -0.077 0.000 0.636 31 V HN 0.351 nan 8.190 nan 0.000 0.445 32 M N 1.931 121.395 119.600 -0.227 0.000 2.194 32 M HA 0.149 4.631 4.480 0.005 0.000 0.347 32 M C 0.564 176.804 176.300 -0.100 0.000 1.439 32 M CA -0.092 55.098 55.300 -0.184 0.000 1.131 32 M CB 0.546 32.974 32.600 -0.286 0.000 1.733 32 M HN 0.603 nan 8.290 nan 0.000 0.467 33 T N 1.473 115.995 114.554 -0.054 0.000 2.860 33 T HA 0.137 4.490 4.350 0.005 0.000 0.299 33 T C 1.003 175.702 174.700 -0.002 0.000 1.045 33 T CA -0.539 61.545 62.100 -0.026 0.000 1.071 33 T CB 1.123 69.977 68.868 -0.023 0.000 0.985 33 T HN 0.872 nan 8.240 nan 0.000 0.537 34 K N 0.692 121.097 120.400 0.009 0.000 2.032 34 K HA -0.244 4.079 4.320 0.005 0.000 0.209 34 K C 2.150 178.773 176.600 0.038 0.000 1.048 34 K CA 1.928 58.231 56.287 0.026 0.000 0.927 34 K CB -0.273 32.240 32.500 0.022 0.000 0.712 34 K HN 0.858 nan 8.250 nan 0.000 0.441 35 E N 0.623 120.839 120.200 0.026 0.000 2.070 35 E HA -0.278 4.075 4.350 0.005 0.000 0.197 35 E C 2.016 178.656 176.600 0.067 0.000 1.004 35 E CA 1.746 58.166 56.400 0.033 0.000 0.805 35 E CB -0.042 29.659 29.700 0.001 0.000 0.744 35 E HN 0.470 nan 8.360 nan 0.000 0.451 36 E N -0.061 120.165 120.200 0.044 0.000 2.077 36 E HA -0.285 4.068 4.350 0.005 0.000 0.193 36 E C 2.157 178.856 176.600 0.166 0.000 0.989 36 E CA 1.429 57.877 56.400 0.081 0.000 0.800 36 E CB -0.037 29.676 29.700 0.022 0.000 0.746 36 E HN 0.114 nan 8.360 nan 0.000 0.452 37 Q N 0.837 120.707 119.800 0.116 0.000 2.079 37 Q HA -0.118 4.225 4.340 0.005 0.000 0.200 37 Q C 1.984 178.069 176.000 0.141 0.000 0.974 37 Q CA 1.626 57.507 55.803 0.130 0.000 0.840 37 Q CB -0.259 28.537 28.738 0.096 0.000 0.898 37 Q HN 0.448 nan 8.270 nan 0.000 0.430 38 I N -0.109 120.537 120.570 0.127 0.000 2.208 38 I HA -0.252 3.921 4.170 0.005 0.000 0.245 38 I C 2.026 178.233 176.117 0.151 0.000 1.097 38 I CA 1.332 62.706 61.300 0.124 0.000 1.363 38 I CB -0.407 37.650 38.000 0.094 0.000 1.051 38 I HN 0.255 nan 8.210 nan 0.000 0.413 39 F N 1.540 121.509 119.950 0.031 0.000 2.134 39 F HA -0.215 4.315 4.527 0.005 0.000 0.299 39 F C 2.188 178.016 175.800 0.046 0.000 1.097 39 F CA 1.664 59.680 58.000 0.026 0.000 1.264 39 F CB -0.216 38.782 39.000 -0.003 0.000 1.001 39 F HN -0.114 nan 8.300 nan 0.000 0.479 40 L N -0.396 120.877 121.223 0.083 0.000 2.093 40 L HA -0.187 4.156 4.340 0.005 0.000 0.208 40 L C 2.392 179.166 176.870 -0.160 0.000 1.085 40 L CA 0.873 55.696 54.840 -0.029 0.000 0.755 40 L CB -0.740 41.418 42.059 0.164 0.000 0.904 40 L HN 0.297 nan 8.230 nan 0.000 0.435 41 L N -0.647 120.561 121.223 -0.025 0.000 2.072 41 L HA -0.214 4.129 4.340 0.005 0.000 0.205 41 L C 2.534 179.324 176.870 -0.133 0.000 1.079 41 L CA 1.749 56.577 54.840 -0.021 0.000 0.752 41 L CB -0.581 41.586 42.059 0.180 0.000 0.906 41 L HN 0.209 nan 8.230 nan 0.000 0.436 42 H N -0.532 118.415 119.070 -0.205 0.000 2.352 42 H HA -0.203 4.356 4.556 0.005 0.000 0.299 42 H C 2.476 177.551 175.328 -0.421 0.000 1.097 42 H CA 2.175 58.057 56.048 -0.276 0.000 1.311 42 H CB 0.057 29.685 29.762 -0.223 0.000 1.377 42 H HN 0.269 nan 8.280 nan 0.000 0.504 43 R N -0.238 119.978 120.500 -0.475 0.000 2.081 43 R HA -0.104 4.239 4.340 0.005 0.000 0.235 43 R C 2.361 178.352 176.300 -0.515 0.000 1.131 43 R CA 1.244 57.036 56.100 -0.513 0.000 0.960 43 R CB -0.359 29.618 30.300 -0.539 0.000 0.856 43 R HN 0.418 nan 8.270 nan 0.000 0.436 44 A N 0.285 122.742 122.820 -0.606 0.000 1.930 44 A HA -0.200 4.122 4.320 0.005 0.000 0.217 44 A C 2.056 179.191 177.584 -0.748 0.000 1.175 44 A CA 1.319 52.952 52.037 -0.672 0.000 0.627 44 A CB -0.518 17.773 19.000 -1.181 0.000 0.815 44 A HN 0.532 nan 8.150 nan 0.000 0.443 45 Q N -0.462 118.738 119.800 -0.999 0.000 2.050 45 Q HA -0.152 4.191 4.340 0.005 0.000 0.202 45 Q C 2.217 177.650 176.000 -0.944 0.000 0.980 45 Q CA 1.608 56.510 55.803 -1.500 0.000 0.840 45 Q CB -0.330 27.668 28.738 -1.234 0.000 0.898 45 Q HN 0.605 nan 8.270 nan 0.000 0.424 46 A N 0.490 122.868 122.820 -0.736 0.000 1.972 46 A HA -0.226 4.097 4.320 0.005 0.000 0.219 46 A C 1.929 179.294 177.584 -0.365 0.000 1.169 46 A CA 1.473 53.206 52.037 -0.506 0.000 0.635 46 A CB -0.473 18.263 19.000 -0.441 0.000 0.810 46 A HN 0.502 nan 8.150 nan 0.000 0.446 47 Q N -1.380 118.202 119.800 -0.363 0.000 2.079 47 Q HA -0.189 4.154 4.340 0.005 0.000 0.200 47 Q C 2.343 178.222 176.000 -0.201 0.000 0.974 47 Q CA 1.528 57.187 55.803 -0.241 0.000 0.840 47 Q CB -0.442 28.171 28.738 -0.208 0.000 0.898 47 Q HN 0.770 nan 8.270 nan 0.000 0.430 48 c N 1.238 119.675 118.600 -0.272 0.000 2.429 48 c HA -0.134 4.439 4.570 0.005 0.000 0.277 48 c C 2.254 176.263 174.090 -0.136 0.000 1.262 48 c CA 0.984 57.222 56.329 -0.151 0.000 1.733 48 c CB -0.644 41.795 42.510 -0.118 0.000 2.010 48 c HN 0.499 nan 8.230 nan 0.000 0.483 49 E N 0.202 120.260 120.200 -0.237 0.000 2.150 49 E HA -0.239 4.114 4.350 0.005 0.000 0.193 49 E C 2.099 178.637 176.600 -0.104 0.000 0.985 49 E CA 1.240 57.541 56.400 -0.165 0.000 0.814 49 E CB -0.133 29.437 29.700 -0.217 0.000 0.752 49 E HN 0.692 nan 8.360 nan 0.000 0.466 50 K N 1.591 121.922 120.400 -0.115 0.000 2.001 50 K HA -0.184 4.139 4.320 0.005 0.000 0.208 50 K C 2.263 178.840 176.600 -0.039 0.000 1.048 50 K CA 1.305 57.548 56.287 -0.073 0.000 0.932 50 K CB -0.038 32.413 32.500 -0.081 0.000 0.715 50 K HN -0.102 nan 8.250 nan 0.000 0.437 51 R N 0.577 121.058 120.500 -0.031 0.000 2.091 51 R HA -0.142 4.201 4.340 0.005 0.000 0.238 51 R C 2.287 178.602 176.300 0.026 0.000 1.136 51 R CA 1.714 57.818 56.100 0.007 0.000 0.959 51 R CB -0.359 29.956 30.300 0.026 0.000 0.856 51 R HN 0.295 nan 8.270 nan 0.000 0.437 52 L N 0.682 121.920 121.223 0.024 0.000 2.093 52 L HA -0.143 4.200 4.340 0.005 0.000 0.208 52 L C 2.416 179.302 176.870 0.027 0.000 1.085 52 L CA 1.534 56.400 54.840 0.043 0.000 0.755 52 L CB -0.166 41.921 42.059 0.047 0.000 0.904 52 L HN 0.146 nan 8.230 nan 0.000 0.435 53 K N -0.399 120.004 120.400 0.005 0.000 2.283 53 K HA -0.124 4.199 4.320 0.005 0.000 0.202 53 K C 1.655 178.259 176.600 0.007 0.000 1.048 53 K CA 0.907 57.195 56.287 0.002 0.000 0.948 53 K CB 0.072 32.565 32.500 -0.013 0.000 0.742 53 K HN 0.358 nan 8.250 nan 0.000 0.458 54 E N 0.406 120.612 120.200 0.010 0.000 2.474 54 E HA 0.005 4.357 4.350 0.005 0.000 0.194 54 E C 0.458 177.071 176.600 0.021 0.000 1.041 54 E CA 0.040 56.447 56.400 0.012 0.000 0.874 54 E CB 0.438 30.144 29.700 0.009 0.000 0.914 54 E HN -0.003 nan 8.360 nan 0.000 0.498 107 P HA 0.363 nan 4.420 nan 0.000 0.284 107 P C -0.010 177.162 177.300 -0.213 0.000 1.258 107 P CA -0.556 62.467 63.100 -0.129 0.000 0.824 107 P CB 0.655 32.313 31.700 -0.070 0.000 1.038 108 c N 1.801 120.162 118.600 -0.400 0.000 2.703 108 c HA 0.187 4.760 4.570 0.005 0.000 0.411 108 c C 1.023 174.905 174.090 -0.346 0.000 1.290 108 c CA 0.033 55.930 56.329 -0.721 0.000 2.054 108 c CB -1.181 40.272 42.510 -1.762 0.000 2.732 108 c HN 0.415 nan 8.230 nan 0.000 0.650 109 L N 3.453 124.579 121.223 -0.162 0.000 2.334 109 L HA 0.415 4.758 4.340 0.005 0.000 0.272 109 L C -2.174 174.976 176.870 0.466 0.000 1.020 109 L CA -1.749 53.183 54.840 0.153 0.000 0.812 109 L CB 0.861 42.984 42.059 0.107 0.000 1.264 109 L HN 0.352 nan 8.230 nan 0.000 0.439 110 P HA 0.037 nan 4.420 nan 0.000 0.265 110 P C -1.321 176.191 177.300 0.353 0.000 1.193 110 P CA 0.079 63.405 63.100 0.378 0.000 0.765 110 P CB 0.352 32.197 31.700 0.242 0.000 0.823 111 E N 1.675 122.085 120.200 0.350 0.000 2.412 111 E HA 0.285 4.638 4.350 0.005 0.000 0.279 111 E C -1.536 175.258 176.600 0.324 0.000 0.984 111 E CA -1.058 55.510 56.400 0.279 0.000 0.788 111 E CB 1.246 31.074 29.700 0.214 0.000 1.277 111 E HN 0.405 nan 8.360 nan 0.000 0.455 112 W N 4.137 125.468 121.300 0.052 0.000 2.338 112 W HA 0.165 4.828 4.660 0.005 0.000 0.307 112 W C -0.549 175.935 176.519 -0.057 0.000 1.167 112 W CA -0.186 57.164 57.345 0.009 0.000 1.208 112 W CB 1.354 30.789 29.460 -0.041 0.000 1.228 112 W HN 0.859 nan 8.180 nan 0.000 0.499 113 D N 3.244 123.302 120.400 -0.572 0.000 2.402 113 D HA -0.013 4.629 4.640 0.005 0.000 0.216 113 D C 0.788 176.649 176.300 -0.732 0.000 1.128 113 D CA 0.175 53.869 54.000 -0.511 0.000 0.833 113 D CB -0.262 40.491 40.800 -0.078 0.000 0.971 113 D HN 0.608 nan 8.370 nan 0.000 0.503 114 H N -1.101 117.254 119.070 -1.193 0.000 4.199 114 H HA -0.138 4.420 4.556 0.005 0.000 0.124 114 H C 0.966 175.877 175.328 -0.695 0.000 0.666 114 H CA 1.308 56.911 56.048 -0.742 0.000 1.223 114 H CB -1.376 28.243 29.762 -0.237 0.000 0.616 114 H HN 0.321 nan 8.280 nan 0.000 0.619 115 I N 0.158 120.267 120.570 -0.769 0.000 3.873 115 I HA 0.092 4.265 4.170 0.005 0.000 0.284 115 I C 0.267 176.167 176.117 -0.361 0.000 1.186 115 I CA 0.237 61.322 61.300 -0.359 0.000 1.362 115 I CB 0.743 38.678 38.000 -0.108 0.000 1.432 115 I HN 0.005 nan 8.210 nan 0.000 0.454 116 L N -1.615 119.329 121.223 -0.464 0.000 2.371 116 L HA 0.609 4.952 4.340 0.005 0.000 0.262 116 L C -0.801 175.957 176.870 -0.187 0.000 1.006 116 L CA -0.729 53.987 54.840 -0.206 0.000 0.818 116 L CB 1.533 43.451 42.059 -0.234 0.000 1.354 116 L HN -0.115 nan 8.230 nan 0.000 0.415 117 c N 2.590 121.280 118.600 0.149 0.000 2.373 117 c HA 0.552 5.125 4.570 0.005 0.000 0.354 117 c C -0.308 173.732 174.090 -0.084 0.000 1.249 117 c CA -0.373 56.082 56.329 0.210 0.000 1.784 117 c CB -1.118 41.552 42.510 0.268 0.000 2.408 117 c HN 0.761 nan 8.230 nan 0.000 0.542 118 W N 7.758 129.079 121.300 0.036 0.000 2.261 118 W HA 0.367 5.030 4.660 0.005 0.000 0.323 118 W C -1.523 175.077 176.519 0.135 0.000 1.243 118 W CA -1.583 55.751 57.345 -0.019 0.000 1.210 118 W CB 0.248 29.520 29.460 -0.313 0.000 1.149 118 W HN 0.573 nan 8.180 nan 0.000 0.562 119 P HA 0.247 nan 4.420 nan 0.000 0.328 119 P C -0.595 176.958 177.300 0.422 0.000 1.305 119 P CA -0.496 62.792 63.100 0.313 0.000 0.745 119 P CB 0.798 32.630 31.700 0.219 0.000 1.462 120 L N -0.659 120.730 121.223 0.276 0.000 2.456 120 L HA 0.393 4.736 4.340 0.005 0.000 0.272 120 L C 1.185 178.198 176.870 0.239 0.000 1.189 120 L CA 0.093 55.061 54.840 0.213 0.000 0.846 120 L CB -0.355 41.770 42.059 0.111 0.000 1.111 120 L HN 0.452 nan 8.230 nan 0.000 0.475 121 G N 1.498 110.355 108.800 0.095 0.000 2.470 121 G HA2 0.614 4.577 3.960 0.005 0.000 0.320 121 G HA3 0.614 4.577 3.960 0.005 0.000 0.320 121 G C -0.553 174.309 174.900 -0.062 0.000 1.245 121 G CA -0.491 44.640 45.100 0.051 0.000 0.935 121 G HN 0.804 nan 8.290 nan 0.000 0.476 122 A N 3.587 126.407 122.820 0.001 0.000 2.462 122 A HA 0.609 4.932 4.320 0.005 0.000 0.243 122 A C -2.114 175.435 177.584 -0.058 0.000 1.076 122 A CA -0.978 51.046 52.037 -0.022 0.000 0.773 122 A CB 0.007 19.013 19.000 0.009 0.000 1.010 122 A HN 0.458 nan 8.150 nan 0.000 0.493 123 P HA 0.173 nan 4.420 nan 0.000 0.260 123 P C 0.881 178.149 177.300 -0.054 0.000 1.185 123 P CA 2.100 65.154 63.100 -0.077 0.000 0.763 123 P CB 0.319 31.982 31.700 -0.062 0.000 0.776 124 G N 1.660 110.424 108.800 -0.060 0.000 2.176 124 G HA2 -0.192 3.771 3.960 0.005 0.000 0.252 124 G HA3 -0.192 3.771 3.960 0.005 0.000 0.252 124 G C -0.131 174.755 174.900 -0.024 0.000 1.024 124 G CA -0.309 44.765 45.100 -0.044 0.000 0.755 124 G HN 0.504 nan 8.290 nan 0.000 0.507 125 E N -0.861 119.336 120.200 -0.005 0.000 2.277 125 E HA 0.556 4.909 4.350 0.005 0.000 0.266 125 E C -0.029 176.620 176.600 0.081 0.000 0.901 125 E CA -0.935 55.484 56.400 0.031 0.000 0.782 125 E CB 2.353 32.079 29.700 0.043 0.000 1.228 125 E HN 0.122 nan 8.360 nan 0.000 0.424 126 V N 1.930 121.903 119.914 0.098 0.000 2.455 126 V HA 0.111 4.234 4.120 0.005 0.000 0.273 126 V C 0.107 176.353 176.094 0.253 0.000 1.045 126 V CA -0.497 61.910 62.300 0.177 0.000 0.976 126 V CB 1.059 32.967 31.823 0.141 0.000 0.993 126 V HN 0.344 nan 8.190 nan 0.000 0.475 127 V N 5.036 125.158 119.914 0.348 0.000 2.383 127 V HA 0.680 4.803 4.120 0.005 0.000 0.275 127 V C 0.494 176.829 176.094 0.400 0.000 1.036 127 V CA -0.346 62.184 62.300 0.384 0.000 0.889 127 V CB 1.339 33.482 31.823 0.532 0.000 0.985 127 V HN 0.961 nan 8.190 nan 0.000 0.459 128 A N 5.268 128.237 122.820 0.248 0.000 2.318 128 A HA 0.829 5.152 4.320 0.005 0.000 0.317 128 A C -0.798 176.801 177.584 0.024 0.000 1.159 128 A CA -0.497 51.554 52.037 0.023 0.000 0.799 128 A CB 1.375 20.307 19.000 -0.113 0.000 1.194 128 A HN 0.634 nan 8.150 nan 0.000 0.479 129 V N 4.526 124.374 119.914 -0.110 0.000 2.487 129 V HA 0.376 4.499 4.120 0.005 0.000 0.298 129 V C -2.432 173.518 176.094 -0.241 0.000 1.028 129 V CA -1.898 60.282 62.300 -0.199 0.000 0.860 129 V CB 1.840 33.326 31.823 -0.561 0.000 0.991 129 V HN 0.777 nan 8.190 nan 0.000 0.427 130 P HA 0.044 nan 4.420 nan 0.000 0.265 130 P C -0.234 176.848 177.300 -0.364 0.000 1.193 130 P CA -0.250 62.569 63.100 -0.468 0.000 0.765 130 P CB 0.134 31.642 31.700 -0.320 0.000 0.823 131 c N 6.820 125.198 118.600 -0.370 0.000 2.517 131 c HA 0.064 4.637 4.570 0.005 0.000 0.403 131 c C -1.508 172.591 174.090 0.015 0.000 1.467 131 c CA -0.633 55.566 56.329 -0.216 0.000 1.542 131 c CB -1.222 41.101 42.510 -0.311 0.000 2.482 131 c HN 0.504 nan 8.230 nan 0.000 0.610 132 P HA 0.055 nan 4.420 nan 0.000 0.267 132 P C 0.313 177.440 177.300 -0.287 0.000 1.205 132 P CA 0.533 63.439 63.100 -0.323 0.000 0.765 132 P CB 0.605 31.805 31.700 -0.834 0.000 0.828 133 D N 3.337 123.506 120.400 -0.386 0.000 2.149 133 D HA -0.243 4.400 4.640 0.005 0.000 0.198 133 D C 1.435 177.563 176.300 -0.287 0.000 0.990 133 D CA 1.578 55.266 54.000 -0.520 0.000 0.839 133 D CB -0.587 40.026 40.800 -0.311 0.000 0.948 133 D HN 0.551 nan 8.370 nan 0.000 0.460 134 Y N -1.052 119.229 120.300 -0.033 0.000 2.616 134 Y HA 0.235 4.788 4.550 0.005 0.000 0.296 134 Y C 0.351 176.276 175.900 0.041 0.000 1.154 134 Y CA -0.374 57.733 58.100 0.012 0.000 1.325 134 Y CB -0.282 38.186 38.460 0.013 0.000 1.007 134 Y HN -0.132 nan 8.280 nan 0.000 0.542 135 I N 1.992 122.505 120.570 -0.095 0.000 2.287 135 I HA -0.004 4.169 4.170 0.005 0.000 0.290 135 I C 0.974 177.131 176.117 0.068 0.000 1.069 135 I CA -1.080 60.132 61.300 -0.147 0.000 1.237 135 I CB -0.251 37.281 38.000 -0.779 0.000 1.418 135 I HN 0.307 nan 8.210 nan 0.000 0.481 136 Y N 6.467 126.801 120.300 0.056 0.000 2.151 136 Y HA -0.251 4.302 4.550 0.005 0.000 0.284 136 Y C 1.637 177.664 175.900 0.213 0.000 1.166 136 Y CA 1.869 60.065 58.100 0.160 0.000 1.163 136 Y CB 0.346 38.873 38.460 0.113 0.000 0.974 136 Y HN 0.528 nan 8.280 nan 0.000 0.511 137 D N -0.335 120.085 120.400 0.033 0.000 2.340 137 D HA -0.026 4.617 4.640 0.005 0.000 0.220 137 D C -0.050 176.350 176.300 0.167 0.000 1.039 137 D CA 0.217 54.246 54.000 0.048 0.000 0.866 137 D CB -0.107 40.799 40.800 0.177 0.000 0.913 137 D HN 0.107 nan 8.370 nan 0.000 0.523 138 F N 1.722 121.576 119.950 -0.161 0.000 2.406 138 F HA 0.109 4.639 4.527 0.005 0.000 0.327 138 F C 1.237 176.652 175.800 -0.642 0.000 1.153 138 F CA -1.405 56.383 58.000 -0.353 0.000 1.218 138 F CB 0.083 38.871 39.000 -0.353 0.000 1.215 138 F HN -0.186 nan 8.300 nan 0.000 0.570 139 N N 1.102 119.487 118.700 -0.524 0.000 2.411 139 N HA 0.034 4.777 4.740 0.005 0.000 0.259 139 N C 0.030 175.237 175.510 -0.506 0.000 1.103 139 N CA 0.190 52.815 53.050 -0.709 0.000 0.954 139 N CB 0.057 37.934 38.487 -1.017 0.000 1.085 139 N HN 0.479 nan 8.380 nan 0.000 0.485 140 H N 1.579 120.619 119.070 -0.050 0.000 2.539 140 H HA 0.092 4.651 4.556 0.005 0.000 0.269 140 H C 0.739 175.984 175.328 -0.139 0.000 0.980 140 H CA 0.314 56.308 56.048 -0.090 0.000 1.152 140 H CB 0.587 30.322 29.762 -0.045 0.000 1.407 140 H HN 0.649 nan 8.280 nan 0.000 0.564 141 K N 0.234 120.603 120.400 -0.051 0.000 2.387 141 K HA 0.188 4.511 4.320 0.005 0.000 0.198 141 K C 0.741 177.262 176.600 -0.132 0.000 1.022 141 K CA 0.070 56.315 56.287 -0.069 0.000 1.128 141 K CB 0.844 33.343 32.500 -0.002 0.000 0.853 141 K HN 0.093 nan 8.250 nan 0.000 0.523 142 G N 0.547 109.213 108.800 -0.223 0.000 2.521 142 G HA2 0.432 4.395 3.960 0.005 0.000 0.323 142 G HA3 0.432 4.395 3.960 0.005 0.000 0.323 142 G C -1.499 173.149 174.900 -0.421 0.000 1.211 142 G CA -0.572 44.399 45.100 -0.215 0.000 0.979 142 G HN 0.266 nan 8.290 nan 0.000 0.490 143 H N -1.285 117.606 119.070 -0.297 0.000 2.690 143 H HA 0.650 5.209 4.556 0.005 0.000 0.368 143 H C 0.211 175.101 175.328 -0.730 0.000 1.150 143 H CA 0.048 55.785 56.048 -0.517 0.000 1.174 143 H CB 1.997 31.385 29.762 -0.623 0.000 1.684 143 H HN 0.736 nan 8.280 nan 0.000 0.538 144 A N 1.963 124.396 122.820 -0.644 0.000 2.295 144 A HA 0.626 4.949 4.320 0.005 0.000 0.318 144 A C -1.380 175.908 177.584 -0.493 0.000 1.134 144 A CA -0.408 51.218 52.037 -0.685 0.000 0.827 144 A CB 0.312 18.664 19.000 -1.079 0.000 1.136 144 A HN 0.641 nan 8.150 nan 0.000 0.493 145 Y N 0.151 120.454 120.300 0.006 0.000 2.425 145 Y HA 0.644 5.197 4.550 0.005 0.000 0.344 145 Y C 0.529 176.389 175.900 -0.066 0.000 0.969 145 Y CA -0.490 57.689 58.100 0.132 0.000 1.052 145 Y CB 2.076 40.625 38.460 0.149 0.000 1.215 145 Y HN 0.751 nan 8.280 nan 0.000 0.451 146 R N 1.292 121.861 120.500 0.116 0.000 2.912 146 R HA 0.684 5.027 4.340 0.005 0.000 0.262 146 R C -1.011 175.566 176.300 0.461 0.000 1.057 146 R CA -1.349 54.761 56.100 0.016 0.000 0.981 146 R CB 2.275 32.036 30.300 -0.898 0.000 1.201 146 R HN 0.676 nan 8.270 nan 0.000 0.484 147 R N 0.079 120.862 120.500 0.471 0.000 2.494 147 R HA 0.377 4.720 4.340 0.005 0.000 0.305 147 R C -1.063 175.420 176.300 0.305 0.000 0.959 147 R CA -0.542 55.716 56.100 0.263 0.000 0.864 147 R CB 1.926 32.206 30.300 -0.032 0.000 1.159 147 R HN 0.440 nan 8.270 nan 0.000 0.446 148 c N 3.060 121.759 118.600 0.164 0.000 2.319 148 c HA 0.319 4.892 4.570 0.005 0.000 0.335 148 c C 0.046 174.090 174.090 -0.077 0.000 1.274 148 c CA -0.609 55.686 56.329 -0.057 0.000 1.806 148 c CB 0.096 42.472 42.510 -0.223 0.000 2.329 148 c HN 0.721 nan 8.230 nan 0.000 0.524 149 D N 2.234 122.569 120.400 -0.108 0.000 2.354 149 D HA 0.085 4.728 4.640 0.005 0.000 0.238 149 D C 1.107 177.352 176.300 -0.092 0.000 1.250 149 D CA 0.041 53.989 54.000 -0.085 0.000 0.911 149 D CB 0.435 41.188 40.800 -0.079 0.000 1.163 149 D HN 0.639 nan 8.370 nan 0.000 0.456 150 R N 0.543 121.002 120.500 -0.070 0.000 2.148 150 R HA -0.013 4.330 4.340 0.005 0.000 0.227 150 R C 0.920 177.179 176.300 -0.068 0.000 1.103 150 R CA 1.077 57.140 56.100 -0.062 0.000 0.983 150 R CB -0.013 30.258 30.300 -0.049 0.000 0.874 150 R HN 0.280 nan 8.270 nan 0.000 0.451 151 N N -0.445 118.213 118.700 -0.071 0.000 2.398 151 N HA 0.075 4.817 4.740 0.005 0.000 0.188 151 N C 0.396 175.849 175.510 -0.095 0.000 1.122 151 N CA 1.052 54.061 53.050 -0.069 0.000 0.866 151 N CB 0.817 39.272 38.487 -0.054 0.000 0.970 151 N HN 0.396 nan 8.380 nan 0.000 0.462 152 G N -0.076 108.642 108.800 -0.137 0.000 2.137 152 G HA2 -0.237 3.726 3.960 0.005 0.000 0.237 152 G HA3 -0.237 3.726 3.960 0.005 0.000 0.237 152 G C -0.251 174.492 174.900 -0.263 0.000 1.002 152 G CA 0.184 45.163 45.100 -0.202 0.000 0.702 152 G HN 0.300 nan 8.290 nan 0.000 0.515 153 S N -0.889 114.677 115.700 -0.224 0.000 2.503 153 S HA 0.621 5.094 4.470 0.005 0.000 0.301 153 S C -0.036 174.451 174.600 -0.189 0.000 1.087 153 S CA -0.694 57.386 58.200 -0.200 0.000 1.042 153 S CB 0.970 64.132 63.200 -0.064 0.000 1.043 153 S HN 0.372 nan 8.310 nan 0.000 0.489 154 W N 2.152 123.443 121.300 -0.016 0.000 2.264 154 W HA 0.153 4.816 4.660 0.005 0.000 0.331 154 W C 0.965 177.476 176.519 -0.013 0.000 1.364 154 W CA -0.117 57.208 57.345 -0.034 0.000 1.253 154 W CB 0.186 29.601 29.460 -0.075 0.000 1.215 154 W HN 0.622 nan 8.180 nan 0.000 0.561 155 E N 3.464 123.825 120.200 0.268 0.000 2.415 155 E HA 0.092 4.445 4.350 0.005 0.000 0.263 155 E C -0.342 176.368 176.600 0.184 0.000 0.995 155 E CA -0.239 56.251 56.400 0.149 0.000 0.915 155 E CB 0.458 30.197 29.700 0.066 0.000 0.951 155 E HN 0.370 nan 8.360 nan 0.000 0.449 156 L N 3.291 124.591 121.223 0.128 0.000 2.469 156 L HA 0.310 4.653 4.340 0.005 0.000 0.253 156 L C -0.295 176.671 176.870 0.160 0.000 1.143 156 L CA -1.091 53.834 54.840 0.142 0.000 0.804 156 L CB 1.194 43.315 42.059 0.102 0.000 1.214 156 L HN 0.361 nan 8.230 nan 0.000 0.476 157 V N 1.533 121.563 119.914 0.194 0.000 2.406 157 V HA 0.186 4.309 4.120 0.005 0.000 0.272 157 V C -2.067 174.130 176.094 0.172 0.000 1.043 157 V CA -1.619 60.816 62.300 0.226 0.000 0.915 157 V CB 0.870 32.859 31.823 0.276 0.000 0.988 157 V HN 0.585 nan 8.190 nan 0.000 0.466 158 P HA 0.040 nan 4.420 nan 0.000 0.257 158 P C 0.924 178.187 177.300 -0.062 0.000 1.162 158 P CA 1.518 64.631 63.100 0.023 0.000 0.762 158 P CB 0.144 31.853 31.700 0.015 0.000 0.753 159 G N 1.625 110.349 108.800 -0.127 0.000 2.198 159 G HA2 -0.198 3.765 3.960 0.005 0.000 0.260 159 G HA3 -0.198 3.765 3.960 0.005 0.000 0.260 159 G C 0.018 174.588 174.900 -0.550 0.000 1.025 159 G CA -0.209 44.718 45.100 -0.288 0.000 0.769 159 G HN 0.712 nan 8.290 nan 0.000 0.507 160 H N -1.567 117.525 119.070 0.036 0.000 3.008 160 H HA 0.340 4.899 4.556 0.005 0.000 0.354 160 H C 0.569 175.923 175.328 0.043 0.000 1.252 160 H CA -0.914 55.158 56.048 0.040 0.000 1.117 160 H CB 0.949 30.740 29.762 0.047 0.000 1.857 160 H HN 0.034 nan 8.280 nan 0.000 0.547 161 N N 0.672 119.484 118.700 0.188 0.000 2.398 161 N HA 0.011 4.754 4.740 0.005 0.000 0.188 161 N C 0.204 175.781 175.510 0.111 0.000 1.122 161 N CA 0.136 53.258 53.050 0.119 0.000 0.866 161 N CB 0.684 39.226 38.487 0.092 0.000 0.970 161 N HN 0.280 nan 8.380 nan 0.000 0.462 162 R N 0.938 121.515 120.500 0.129 0.000 2.623 162 R HA 0.095 4.438 4.340 0.005 0.000 0.271 162 R C 0.023 176.382 176.300 0.098 0.000 1.043 162 R CA 0.481 56.630 56.100 0.082 0.000 1.083 162 R CB 0.337 30.664 30.300 0.045 0.000 0.974 162 R HN -0.103 nan 8.270 nan 0.000 0.436 163 T N 2.744 117.332 114.554 0.056 0.000 2.817 163 T HA 0.025 4.377 4.350 0.005 0.000 0.293 163 T C -0.401 174.339 174.700 0.066 0.000 0.964 163 T CA -0.428 61.707 62.100 0.059 0.000 1.085 163 T CB 0.396 69.242 68.868 -0.037 0.000 0.921 163 T HN 0.446 nan 8.240 nan 0.000 0.502 164 W N 3.684 124.962 121.300 -0.037 0.000 2.251 164 W HA 0.457 5.120 4.660 0.005 0.000 0.327 164 W C -0.190 176.266 176.519 -0.105 0.000 1.361 164 W CA -0.133 57.189 57.345 -0.038 0.000 1.234 164 W CB 0.044 29.497 29.460 -0.012 0.000 1.212 164 W HN 0.725 nan 8.180 nan 0.000 0.557 165 A N 5.217 127.553 122.820 -0.807 0.000 2.572 165 A HA 0.469 4.792 4.320 0.005 0.000 0.295 165 A C -1.681 175.302 177.584 -1.001 0.000 1.072 165 A CA -1.006 50.508 52.037 -0.871 0.000 0.691 165 A CB 1.631 20.474 19.000 -0.263 0.000 1.291 165 A HN 0.678 nan 8.150 nan 0.000 0.404 166 N N 0.337 118.553 118.700 -0.806 0.000 2.524 166 N HA 0.537 5.280 4.740 0.005 0.000 0.261 166 N C -1.306 174.126 175.510 -0.129 0.000 0.998 166 N CA -0.231 52.582 53.050 -0.396 0.000 0.915 166 N CB 0.649 38.958 38.487 -0.297 0.000 1.187 166 N HN 0.553 nan 8.380 nan 0.000 0.507 167 Y N 1.510 121.712 120.300 -0.163 0.000 2.607 167 Y HA 0.127 4.680 4.550 0.005 0.000 0.266 167 Y C 2.052 177.823 175.900 -0.214 0.000 1.178 167 Y CA -0.223 57.759 58.100 -0.197 0.000 1.226 167 Y CB 0.239 38.572 38.460 -0.213 0.000 1.144 167 Y HN 0.654 nan 8.280 nan 0.000 0.528 168 S N -0.790 114.907 115.700 -0.005 0.000 2.383 168 S HA -0.234 4.239 4.470 0.005 0.000 0.229 168 S C 1.676 176.223 174.600 -0.089 0.000 1.030 168 S CA 1.606 59.788 58.200 -0.031 0.000 1.002 168 S CB -0.173 63.028 63.200 0.002 0.000 0.829 168 S HN 0.563 nan 8.310 nan 0.000 0.467 169 E N 0.360 120.508 120.200 -0.086 0.000 2.106 169 E HA -0.083 4.270 4.350 0.005 0.000 0.192 169 E C 2.267 178.673 176.600 -0.323 0.000 0.984 169 E CA 1.356 57.668 56.400 -0.147 0.000 0.806 169 E CB -0.423 29.241 29.700 -0.060 0.000 0.750 169 E HN 0.663 nan 8.360 nan 0.000 0.458 170 c N 0.353 118.686 118.600 -0.445 0.000 2.425 170 c HA -0.082 4.491 4.570 0.005 0.000 0.277 170 c C 2.515 176.193 174.090 -0.688 0.000 1.280 170 c CA 0.661 56.511 56.329 -0.798 0.000 1.744 170 c CB -0.920 40.770 42.510 -1.366 0.000 1.989 170 c HN 0.368 nan 8.230 nan 0.000 0.491 171 V N -0.425 119.245 119.914 -0.406 0.000 3.577 171 V HA 0.102 4.225 4.120 0.005 0.000 0.294 171 V C 1.937 177.952 176.094 -0.132 0.000 1.317 171 V CA 0.791 62.994 62.300 -0.162 0.000 1.169 171 V CB -1.079 30.710 31.823 -0.056 0.000 1.011 171 V HN 0.534 nan 8.190 nan 0.000 0.426 172 K N 0.865 121.100 120.400 -0.275 0.000 2.113 172 K HA -0.180 4.143 4.320 0.005 0.000 0.208 172 K C 1.690 178.242 176.600 -0.080 0.000 1.047 172 K CA 2.352 58.489 56.287 -0.248 0.000 0.928 172 K CB -0.308 31.932 32.500 -0.434 0.000 0.716 172 K HN 0.640 nan 8.250 nan 0.000 0.446 173 F N 1.063 121.017 119.950 0.007 0.000 2.512 173 F HA 0.056 4.586 4.527 0.005 0.000 0.296 173 F C 1.084 176.910 175.800 0.043 0.000 1.110 173 F CA -0.644 57.372 58.000 0.027 0.000 1.446 173 F CB 0.110 39.123 39.000 0.022 0.000 1.092 173 F HN -0.093 nan 8.300 nan 0.000 0.554 174 L N 0.000 121.345 121.223 0.203 0.000 2.949 174 L HA 0.000 4.343 4.340 0.005 0.000 0.249 174 L CA 0.000 54.931 54.840 0.151 0.000 0.813 174 L CB 0.000 42.136 42.059 0.128 0.000 0.961 174 L HN 0.000 nan 8.230 nan 0.000 0.502