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 1zjb_1_B DATA FIRST_RESID 2 DATA SEQUENCE PGAPWWKSAV FYQVYPRSFK DTNGDGIGDF KGLTEKLDYL KGLGIDAIWI DATA SEQUENCE NPHYASPNTD NGYDISDYRE VMKEYGTMED FDRLMAELKK RGMRLMVDVV DATA SEQUENCE INHSSDQHEW FKSSRASKDN PYRDYYFWRD GKDGHEPNNY PSFFGGSAWE DATA SEQUENCE KDPVTGQYYL HYFGRQQPDL NWDTPKLREE LYAMLRFWLD KGVSGMRFDT DATA SEQUENCE VATYSKTPGF PDLTPEQMKN FAEAYTQGPN LHRYLQEMHE KVFDHYDAVT DATA SEQUENCE AGEIFGAPLN QVPLFIDSRR KELDMAFTFD LIRYDRALDR WHTIPRTLAD DATA SEQUENCE FRQTIDKVDA IAGEYGWNTF FLGNHDNPRA VSHFGDDRPQ WREASAKALA DATA SEQUENCE TVTLTQRGTP FIFQGDELGM TNYPFKTLQD FDDIEVKGFF QDYVETGKAT DATA SEQUENCE AEELLTNVAL TSRDNARTPF QWDDSANAGF TTGKPWLKVN PNYTEINAAR DATA SEQUENCE EIGDPKSVYS FYRNLISIRH ETPALSTGSY RDIDPSNADV YAYTRSQDGE DATA SEQUENCE TYLVVVNFKA EPRSFTLPDG MHIAETLIES SSPAAPAAGA ASLELQPWQS DATA SEQUENCE GIYKVK 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.274 177.300 -0.043 0.000 1.155 2 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 2 P CB 0.000 31.685 31.700 -0.025 0.000 0.726 3 G N -0.102 108.667 108.800 -0.052 0.000 2.488 3 G HA2 0.695 4.654 3.960 -0.000 0.000 0.318 3 G HA3 0.695 4.654 3.960 -0.000 0.000 0.318 3 G C -0.780 174.041 174.900 -0.132 0.000 1.188 3 G CA -0.317 44.738 45.100 -0.074 0.000 0.944 3 G HN 0.663 nan 8.290 nan 0.000 0.495 4 A N 0.823 123.532 122.820 -0.184 0.000 2.293 4 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 4 A C -1.768 175.582 177.584 -0.389 0.000 1.119 4 A CA -1.188 50.652 52.037 -0.327 0.000 0.823 4 A CB 0.372 19.144 19.000 -0.380 0.000 1.097 4 A HN 0.586 nan 8.150 nan 0.000 0.491 5 P HA -0.049 nan 4.420 nan 0.000 0.268 5 P C 0.974 177.872 177.300 -0.670 0.000 1.208 5 P CA -0.331 62.333 63.100 -0.727 0.000 0.777 5 P CB 0.293 31.190 31.700 -1.338 0.000 0.875 6 W N 3.572 124.689 121.300 -0.306 0.000 2.331 6 W HA -0.160 4.500 4.660 -0.000 0.000 0.291 6 W C 1.628 178.146 176.519 -0.002 0.000 1.214 6 W CA 1.021 58.303 57.345 -0.105 0.000 1.228 6 W CB -1.708 27.769 29.460 0.029 0.000 1.135 6 W HN 0.507 nan 8.180 nan 0.000 0.537 7 W N 1.560 122.286 121.300 -0.957 0.000 2.519 7 W HA 0.063 4.723 4.660 -0.000 0.000 0.266 7 W C 1.542 177.909 176.519 -0.253 0.000 1.253 7 W CA 0.729 57.588 57.345 -0.810 0.000 1.274 7 W CB -1.301 27.506 29.460 -1.087 0.000 1.114 7 W HN -0.031 nan 8.180 nan 0.000 0.596 8 K N 1.225 121.311 120.400 -0.524 0.000 2.288 8 K HA -0.068 4.252 4.320 -0.000 0.000 0.201 8 K C 1.960 178.543 176.600 -0.029 0.000 1.048 8 K CA 1.653 57.642 56.287 -0.497 0.000 0.956 8 K CB -0.083 31.664 32.500 -1.255 0.000 0.746 8 K HN 0.107 nan 8.250 nan 0.000 0.461 9 S N -0.612 115.089 115.700 0.002 0.000 2.539 9 S HA 0.304 4.774 4.470 -0.000 0.000 0.221 9 S C 0.495 175.243 174.600 0.246 0.000 0.987 9 S CA -0.694 57.583 58.200 0.127 0.000 0.929 9 S CB 0.542 63.782 63.200 0.067 0.000 0.832 9 S HN 0.154 nan 8.310 nan 0.000 0.492 10 A N 1.258 124.266 122.820 0.314 0.000 2.304 10 A HA 0.704 5.024 4.320 -0.000 0.000 0.271 10 A C -0.232 177.577 177.584 0.374 0.000 1.091 10 A CA -0.490 51.770 52.037 0.372 0.000 0.812 10 A CB 0.690 19.967 19.000 0.462 0.000 1.056 10 A HN 0.381 nan 8.150 nan 0.000 0.489 11 V N 1.924 122.017 119.914 0.298 0.000 2.384 11 V HA 0.417 4.536 4.120 -0.000 0.000 0.287 11 V C -0.936 175.268 176.094 0.184 0.000 1.020 11 V CA -0.145 62.308 62.300 0.255 0.000 0.850 11 V CB 0.704 32.629 31.823 0.171 0.000 0.987 11 V HN 0.694 nan 8.190 nan 0.000 0.436 12 F N 3.851 123.747 119.950 -0.090 0.000 2.432 12 F HA 0.580 5.107 4.527 -0.000 0.000 0.329 12 F C -0.319 175.530 175.800 0.082 0.000 1.076 12 F CA -0.662 57.236 58.000 -0.170 0.000 1.018 12 F CB 1.397 39.808 39.000 -0.981 0.000 1.201 12 F HN 0.445 nan 8.300 nan 0.000 0.489 13 Y N 2.126 122.571 120.300 0.241 0.000 2.391 13 Y HA 0.324 4.874 4.550 -0.000 0.000 0.341 13 Y C -0.639 175.432 175.900 0.285 0.000 0.965 13 Y CA -0.849 57.388 58.100 0.229 0.000 1.067 13 Y CB 1.360 39.879 38.460 0.098 0.000 1.199 13 Y HN 0.562 nan 8.280 nan 0.000 0.450 14 Q N 5.350 125.265 119.800 0.191 0.000 2.303 14 Q HA 0.581 4.921 4.340 -0.000 0.000 0.257 14 Q C -1.801 174.112 176.000 -0.145 0.000 0.941 14 Q CA -0.655 55.227 55.803 0.132 0.000 0.931 14 Q CB 1.174 30.033 28.738 0.202 0.000 1.215 14 Q HN 0.624 nan 8.270 nan 0.000 0.437 15 V N 5.191 125.010 119.914 -0.158 0.000 2.398 15 V HA 0.172 4.292 4.120 -0.000 0.000 0.286 15 V C -1.007 174.962 176.094 -0.208 0.000 1.026 15 V CA -0.670 61.461 62.300 -0.281 0.000 0.868 15 V CB 1.123 32.693 31.823 -0.422 0.000 0.982 15 V HN 0.711 nan 8.190 nan 0.000 0.443 16 Y N 8.546 128.724 120.300 -0.203 0.000 2.700 16 Y HA 0.392 4.942 4.550 -0.000 0.000 0.333 16 Y C -1.805 174.067 175.900 -0.048 0.000 1.036 16 Y CA -2.577 55.475 58.100 -0.080 0.000 1.287 16 Y CB 1.484 40.035 38.460 0.151 0.000 1.132 16 Y HN 0.530 nan 8.280 nan 0.000 0.510 17 P HA -0.282 nan 4.420 nan 0.000 0.216 17 P C 1.475 178.579 177.300 -0.327 0.000 1.154 17 P CA 1.838 64.670 63.100 -0.447 0.000 0.865 17 P CB 0.165 31.253 31.700 -1.019 0.000 0.789 18 R N -0.371 119.888 120.500 -0.402 0.000 2.170 18 R HA -0.075 4.264 4.340 -0.000 0.000 0.242 18 R C 0.738 177.236 176.300 0.331 0.000 1.145 18 R CA 1.659 57.686 56.100 -0.122 0.000 0.984 18 R CB -0.281 29.776 30.300 -0.405 0.000 0.869 18 R HN 0.127 nan 8.270 nan 0.000 0.455 19 S N -0.730 115.258 115.700 0.479 0.000 2.754 19 S HA 0.131 4.601 4.470 -0.000 0.000 0.247 19 S C -0.052 174.834 174.600 0.477 0.000 1.031 19 S CA -0.691 57.814 58.200 0.507 0.000 1.014 19 S CB 0.312 63.851 63.200 0.565 0.000 0.918 19 S HN 0.228 nan 8.310 nan 0.000 0.519 20 F N 2.700 122.909 119.950 0.432 0.000 2.202 20 F HA 0.530 5.057 4.527 -0.000 0.000 0.279 20 F C 0.411 176.646 175.800 0.725 0.000 1.077 20 F CA 0.649 58.894 58.000 0.408 0.000 1.193 20 F CB 0.303 39.415 39.000 0.187 0.000 1.090 20 F HN -0.031 nan 8.300 nan 0.000 0.516 21 K N 0.664 121.335 120.400 0.451 0.000 2.588 21 K HA 0.228 4.548 4.320 -0.000 0.000 0.250 21 K C -2.102 174.399 176.600 -0.165 0.000 0.972 21 K CA -0.527 55.801 56.287 0.069 0.000 0.821 21 K CB 1.100 33.427 32.500 -0.288 0.000 1.249 21 K HN 0.044 nan 8.250 nan 0.000 0.442 22 D N 1.827 121.894 120.400 -0.555 0.000 2.225 22 D HA 0.257 4.896 4.640 -0.000 0.000 0.248 22 D C 0.177 176.285 176.300 -0.319 0.000 1.096 22 D CA -0.246 53.472 54.000 -0.470 0.000 0.863 22 D CB 1.527 41.886 40.800 -0.735 0.000 1.156 22 D HN 0.611 nan 8.370 nan 0.000 0.450 23 T N -0.132 114.304 114.554 -0.197 0.000 3.040 23 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 23 T C 0.675 175.308 174.700 -0.112 0.000 1.005 23 T CA -0.427 61.580 62.100 -0.154 0.000 0.906 23 T CB -0.177 68.621 68.868 -0.117 0.000 1.082 23 T HN 0.402 nan 8.240 nan 0.000 0.531 24 N N 0.754 119.392 118.700 -0.103 0.000 2.240 24 N HA 0.235 4.975 4.740 -0.000 0.000 0.240 24 N C 1.321 176.791 175.510 -0.066 0.000 1.277 24 N CA 0.194 53.202 53.050 -0.070 0.000 0.873 24 N CB 0.105 38.566 38.487 -0.044 0.000 1.222 24 N HN 0.451 nan 8.380 nan 0.000 0.507 25 G N 1.979 110.725 108.800 -0.090 0.000 2.166 25 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.260 25 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.260 25 G C 0.369 175.248 174.900 -0.035 0.000 0.986 25 G CA 0.753 45.812 45.100 -0.069 0.000 0.683 25 G HN 0.647 nan 8.290 nan 0.000 0.527 26 D N -0.450 119.934 120.400 -0.027 0.000 2.340 26 D HA 0.337 4.977 4.640 -0.000 0.000 0.220 26 D C 1.803 178.139 176.300 0.060 0.000 1.039 26 D CA 0.628 54.635 54.000 0.011 0.000 0.866 26 D CB -0.607 40.197 40.800 0.005 0.000 0.913 26 D HN 1.539 nan 8.370 nan 0.000 0.523 27 G N 0.263 109.095 108.800 0.054 0.000 2.159 27 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 27 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 27 G C 0.061 175.196 174.900 0.391 0.000 0.977 27 G CA 0.273 45.489 45.100 0.194 0.000 0.652 27 G HN 0.442 nan 8.290 nan 0.000 0.531 28 I N 1.065 121.761 120.570 0.211 0.000 2.465 28 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 28 I C 1.152 177.364 176.117 0.158 0.000 1.014 28 I CA -0.693 60.762 61.300 0.259 0.000 1.093 28 I CB 1.879 39.925 38.000 0.076 0.000 1.267 28 I HN 0.137 nan 8.210 nan 0.000 0.431 29 G N 3.566 112.558 108.800 0.319 0.000 2.614 29 G HA2 0.373 4.333 3.960 -0.000 0.000 0.239 29 G HA3 0.373 4.333 3.960 -0.000 0.000 0.239 29 G C -0.901 173.978 174.900 -0.036 0.000 1.240 29 G CA 0.049 45.244 45.100 0.158 0.000 0.842 29 G HN 0.791 nan 8.290 nan 0.000 0.584 30 D N -1.570 118.774 120.400 -0.094 0.000 2.664 30 D HA 0.385 5.024 4.640 -0.000 0.000 0.292 30 D C 0.305 176.542 176.300 -0.106 0.000 1.214 30 D CA -0.833 53.072 54.000 -0.159 0.000 0.932 30 D CB 0.357 41.140 40.800 -0.028 0.000 1.420 30 D HN 0.140 nan 8.370 nan 0.000 0.471 31 F N 0.257 120.201 119.950 -0.010 0.000 2.134 31 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 31 F C 2.143 177.930 175.800 -0.023 0.000 1.097 31 F CA 1.034 59.025 58.000 -0.015 0.000 1.264 31 F CB -0.615 38.416 39.000 0.051 0.000 1.001 31 F HN 0.303 nan 8.300 nan 0.000 0.479 32 K N -0.223 120.283 120.400 0.176 0.000 2.097 32 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 32 K C 2.440 179.044 176.600 0.006 0.000 1.049 32 K CA 1.149 57.474 56.287 0.063 0.000 0.933 32 K CB -0.856 31.661 32.500 0.028 0.000 0.717 32 K HN 0.366 nan 8.250 nan 0.000 0.442 33 G N 1.674 110.469 108.800 -0.007 0.000 2.421 33 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 33 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 33 G C 1.436 176.345 174.900 0.014 0.000 1.171 33 G CA 0.532 45.592 45.100 -0.067 0.000 0.775 33 G HN 0.171 nan 8.290 nan 0.000 0.543 34 L N 0.996 122.314 121.223 0.159 0.000 2.017 34 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 34 L C 2.847 179.786 176.870 0.115 0.000 1.073 34 L CA 2.676 57.673 54.840 0.261 0.000 0.745 34 L CB -1.095 41.069 42.059 0.175 0.000 0.894 34 L HN 0.179 nan 8.230 nan 0.000 0.432 35 T N -0.405 114.178 114.554 0.048 0.000 2.720 35 T HA -0.210 4.139 4.350 -0.000 0.000 0.268 35 T C 1.688 176.371 174.700 -0.028 0.000 1.037 35 T CA 1.814 63.908 62.100 -0.010 0.000 1.144 35 T CB -0.292 68.559 68.868 -0.028 0.000 0.864 35 T HN 0.475 nan 8.240 nan 0.000 0.444 36 E N 0.345 120.512 120.200 -0.054 0.000 2.265 36 E HA -0.075 4.274 4.350 -0.000 0.000 0.196 36 E C 1.557 178.083 176.600 -0.124 0.000 0.996 36 E CA 0.629 56.965 56.400 -0.106 0.000 0.832 36 E CB 0.148 29.748 29.700 -0.166 0.000 0.756 36 E HN 0.201 nan 8.360 nan 0.000 0.491 37 K N 0.195 120.549 120.400 -0.075 0.000 2.397 37 K HA 0.144 4.464 4.320 -0.000 0.000 0.202 37 K C 1.535 178.215 176.600 0.133 0.000 1.022 37 K CA -0.021 56.256 56.287 -0.018 0.000 1.141 37 K CB 0.457 32.933 32.500 -0.040 0.000 0.857 37 K HN 0.179 nan 8.250 nan 0.000 0.514 38 L N 0.655 121.912 121.223 0.056 0.000 2.131 38 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 38 L C 1.415 178.302 176.870 0.027 0.000 1.092 38 L CA 1.141 55.996 54.840 0.025 0.000 0.759 38 L CB -0.283 41.762 42.059 -0.023 0.000 0.903 38 L HN 0.092 nan 8.230 nan 0.000 0.435 39 D N -0.767 119.656 120.400 0.038 0.000 2.178 39 D HA -0.222 4.418 4.640 -0.000 0.000 0.201 39 D C 1.859 178.214 176.300 0.091 0.000 0.980 39 D CA 1.107 55.132 54.000 0.042 0.000 0.842 39 D CB -0.076 40.744 40.800 0.033 0.000 0.948 39 D HN 0.341 nan 8.370 nan 0.000 0.472 40 Y N 1.440 121.763 120.300 0.038 0.000 2.163 40 Y HA -0.119 4.430 4.550 -0.000 0.000 0.288 40 Y C 2.113 178.077 175.900 0.107 0.000 1.136 40 Y CA 1.294 59.461 58.100 0.110 0.000 1.147 40 Y CB -0.473 38.097 38.460 0.184 0.000 0.987 40 Y HN -0.110 nan 8.280 nan 0.000 0.509 41 L N 0.132 121.293 121.223 -0.103 0.000 2.056 41 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 41 L C 2.479 179.232 176.870 -0.195 0.000 1.078 41 L CA 1.734 56.395 54.840 -0.299 0.000 0.749 41 L CB -0.609 41.293 42.059 -0.263 0.000 0.901 41 L HN 0.124 nan 8.230 nan 0.000 0.433 42 K N 0.906 121.246 120.400 -0.100 0.000 2.057 42 K HA -0.113 4.206 4.320 -0.000 0.000 0.207 42 K C 1.953 178.525 176.600 -0.047 0.000 1.049 42 K CA 1.573 57.822 56.287 -0.063 0.000 0.931 42 K CB -0.756 31.720 32.500 -0.041 0.000 0.714 42 K HN 0.204 nan 8.250 nan 0.000 0.440 43 G N 0.665 109.443 108.800 -0.037 0.000 2.448 43 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.219 43 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.219 43 G C 1.457 176.359 174.900 0.002 0.000 1.127 43 G CA 0.713 45.819 45.100 0.010 0.000 0.766 43 G HN 0.340 nan 8.290 nan 0.000 0.552 44 L N -0.334 120.833 121.223 -0.093 0.000 2.217 44 L HA 0.205 4.545 4.340 -0.000 0.000 0.211 44 L C 1.929 178.761 176.870 -0.064 0.000 1.107 44 L CA 1.222 55.982 54.840 -0.134 0.000 0.783 44 L CB 0.001 41.934 42.059 -0.211 0.000 0.919 44 L HN 0.428 nan 8.230 nan 0.000 0.442 45 G N -0.338 108.452 108.800 -0.016 0.000 2.159 45 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.170 45 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.170 45 G C 0.099 175.078 174.900 0.132 0.000 1.007 45 G CA -0.329 44.818 45.100 0.080 0.000 0.672 45 G HN 0.085 nan 8.290 nan 0.000 0.507 46 I N 1.897 122.490 120.570 0.038 0.000 2.618 46 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 46 I C 0.882 177.001 176.117 0.003 0.000 1.146 46 I CA -0.081 61.245 61.300 0.042 0.000 1.425 46 I CB 0.786 38.769 38.000 -0.028 0.000 1.383 46 I HN 0.066 nan 8.210 nan 0.000 0.562 47 D N 4.535 124.935 120.400 0.000 0.000 2.277 47 D HA 0.217 4.857 4.640 -0.000 0.000 0.209 47 D C 0.547 176.733 176.300 -0.191 0.000 0.970 47 D CA 0.745 54.702 54.000 -0.072 0.000 0.874 47 D CB 0.864 41.664 40.800 0.000 0.000 0.982 47 D HN 0.631 nan 8.370 nan 0.000 0.504 48 A N 0.141 122.781 122.820 -0.300 0.000 2.604 48 A HA 0.639 4.959 4.320 -0.000 0.000 0.295 48 A C -1.412 176.057 177.584 -0.191 0.000 1.067 48 A CA -0.587 51.220 52.037 -0.382 0.000 0.683 48 A CB 1.288 19.789 19.000 -0.831 0.000 1.281 48 A HN -0.004 nan 8.150 nan 0.000 0.407 49 I N 0.777 121.371 120.570 0.041 0.000 2.530 49 I HA 0.458 4.628 4.170 -0.000 0.000 0.297 49 I C -1.000 175.409 176.117 0.487 0.000 1.011 49 I CA -0.391 61.057 61.300 0.247 0.000 1.107 49 I CB 1.957 40.017 38.000 0.100 0.000 1.285 49 I HN 0.789 nan 8.210 nan 0.000 0.436 50 W N 8.746 130.305 121.300 0.433 0.000 2.417 50 W HA 0.672 5.332 4.660 -0.000 0.000 0.315 50 W C -1.141 175.524 176.519 0.243 0.000 1.045 50 W CA -1.688 55.912 57.345 0.424 0.000 1.221 50 W CB 0.691 30.515 29.460 0.606 0.000 1.309 50 W HN 0.321 nan 8.180 nan 0.000 0.453 51 I N 4.042 124.720 120.570 0.181 0.000 2.412 51 I HA 0.463 4.633 4.170 -0.000 0.000 0.296 51 I C 0.541 176.555 176.117 -0.172 0.000 0.987 51 I CA -0.855 60.376 61.300 -0.115 0.000 1.180 51 I CB 1.108 39.100 38.000 -0.013 0.000 1.340 51 I HN 0.337 nan 8.210 nan 0.000 0.455 52 N N 4.736 123.228 118.700 -0.345 0.000 2.297 52 N HA 0.190 4.929 4.740 -0.000 0.000 0.232 52 N C -2.378 173.073 175.510 -0.098 0.000 1.311 52 N CA -0.771 52.136 53.050 -0.238 0.000 0.897 52 N CB -0.047 38.253 38.487 -0.311 0.000 1.137 52 N HN 0.440 nan 8.380 nan 0.000 0.449 53 P HA -0.084 nan 4.420 nan 0.000 0.259 53 P C 0.036 177.270 177.300 -0.110 0.000 1.163 53 P CA 0.778 63.797 63.100 -0.135 0.000 0.760 53 P CB -0.004 31.484 31.700 -0.354 0.000 0.762 54 H N 1.870 120.669 119.070 -0.451 0.000 2.567 54 H HA 0.214 4.770 4.556 -0.000 0.000 0.267 54 H C -0.533 174.525 175.328 -0.450 0.000 1.148 54 H CA -0.393 55.502 56.048 -0.255 0.000 1.031 54 H CB -0.541 29.240 29.762 0.032 0.000 1.691 54 H HN 0.305 nan 8.280 nan 0.000 0.588 55 Y N 1.188 121.192 120.300 -0.493 0.000 2.458 55 Y HA 0.564 5.114 4.550 -0.000 0.000 0.322 55 Y C 0.873 176.585 175.900 -0.313 0.000 1.259 55 Y CA -0.938 56.921 58.100 -0.401 0.000 1.302 55 Y CB 0.625 38.835 38.460 -0.417 0.000 1.314 55 Y HN 0.198 nan 8.280 nan 0.000 0.509 56 A N 1.400 124.176 122.820 -0.074 0.000 2.567 56 A HA 0.382 4.702 4.320 -0.000 0.000 0.240 56 A C 0.281 177.754 177.584 -0.185 0.000 1.053 56 A CA 0.737 52.685 52.037 -0.149 0.000 0.755 56 A CB -0.450 18.467 19.000 -0.139 0.000 0.978 56 A HN 0.633 nan 8.150 nan 0.000 0.507 57 S N 2.559 118.140 115.700 -0.199 0.000 2.542 57 S HA 0.594 5.064 4.470 -0.000 0.000 0.276 57 S C -2.682 171.823 174.600 -0.158 0.000 1.148 57 S CA -0.757 57.336 58.200 -0.179 0.000 0.886 57 S CB 1.557 64.643 63.200 -0.189 0.000 1.109 57 S HN 0.316 nan 8.310 nan 0.000 0.458 58 P HA 0.213 nan 4.420 nan 0.000 0.237 58 P C -0.104 177.142 177.300 -0.090 0.000 1.178 58 P CA 0.330 63.373 63.100 -0.094 0.000 0.766 58 P CB -0.127 31.534 31.700 -0.066 0.000 0.876 59 N N -1.627 117.013 118.700 -0.100 0.000 2.725 59 N HA -0.140 4.599 4.740 -0.000 0.000 0.249 59 N C 0.854 176.342 175.510 -0.036 0.000 1.103 59 N CA 1.462 54.457 53.050 -0.092 0.000 0.707 59 N CB -1.791 36.604 38.487 -0.153 0.000 1.043 59 N HN 0.322 nan 8.380 nan 0.000 0.553 60 T N -4.151 110.400 114.554 -0.005 0.000 2.962 60 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 60 T C 0.823 175.547 174.700 0.040 0.000 1.088 60 T CA 1.426 63.535 62.100 0.015 0.000 1.127 60 T CB 0.254 69.140 68.868 0.029 0.000 0.883 60 T HN 0.133 nan 8.240 nan 0.000 0.493 61 D N 0.925 121.380 120.400 0.091 0.000 2.895 61 D HA 0.175 4.815 4.640 -0.000 0.000 0.350 61 D C -0.558 175.873 176.300 0.217 0.000 1.389 61 D CA -0.632 53.466 54.000 0.164 0.000 0.812 61 D CB -0.962 40.023 40.800 0.307 0.000 1.164 61 D HN 0.015 nan 8.370 nan 0.000 0.455 62 N N 0.792 119.545 118.700 0.088 0.000 2.686 62 N HA -0.192 4.548 4.740 -0.000 0.000 0.261 62 N C 1.126 176.617 175.510 -0.033 0.000 1.001 62 N CA 1.656 54.713 53.050 0.012 0.000 0.764 62 N CB -1.118 37.432 38.487 0.105 0.000 0.898 62 N HN 0.624 nan 8.380 nan 0.000 0.544 63 G N -1.589 107.149 108.800 -0.103 0.000 2.254 63 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.225 63 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.225 63 G C 0.573 175.338 174.900 -0.224 0.000 1.003 63 G CA 0.189 45.158 45.100 -0.219 0.000 0.622 63 G HN 0.433 nan 8.290 nan 0.000 0.507 64 Y N 2.687 123.039 120.300 0.086 0.000 2.529 64 Y HA 0.266 4.816 4.550 -0.000 0.000 0.290 64 Y C 0.831 176.835 175.900 0.172 0.000 1.177 64 Y CA 0.674 58.859 58.100 0.142 0.000 1.305 64 Y CB 0.452 39.021 38.460 0.181 0.000 1.047 64 Y HN 0.416 nan 8.280 nan 0.000 0.522 65 D N 0.115 120.614 120.400 0.165 0.000 2.438 65 D HA 0.225 4.865 4.640 -0.000 0.000 0.257 65 D C -0.484 175.796 176.300 -0.035 0.000 1.148 65 D CA -0.139 53.932 54.000 0.119 0.000 0.902 65 D CB 0.411 41.271 40.800 0.100 0.000 1.062 65 D HN 0.132 nan 8.370 nan 0.000 0.518 66 I N 1.569 122.065 120.570 -0.122 0.000 2.342 66 I HA 0.048 4.218 4.170 -0.000 0.000 0.291 66 I C 1.490 177.420 176.117 -0.312 0.000 1.010 66 I CA -0.371 60.732 61.300 -0.328 0.000 1.308 66 I CB 1.590 39.169 38.000 -0.701 0.000 1.400 66 I HN 0.348 nan 8.210 nan 0.000 0.488 67 S N 2.441 117.978 115.700 -0.272 0.000 2.517 67 S HA 0.122 4.592 4.470 -0.000 0.000 0.214 67 S C 0.235 174.553 174.600 -0.469 0.000 0.991 67 S CA -0.150 57.894 58.200 -0.260 0.000 0.906 67 S CB 0.165 63.241 63.200 -0.206 0.000 0.789 67 S HN 0.711 nan 8.310 nan 0.000 0.513 68 D N -0.377 119.762 120.400 -0.436 0.000 2.548 68 D HA 0.215 4.855 4.640 -0.000 0.000 0.214 68 D C -0.767 175.376 176.300 -0.261 0.000 1.345 68 D CA -0.485 53.266 54.000 -0.414 0.000 0.945 68 D CB 0.462 41.081 40.800 -0.303 0.000 1.499 68 D HN 0.004 nan 8.370 nan 0.000 0.579 69 Y N 1.832 122.057 120.300 -0.126 0.000 2.571 69 Y HA 0.080 4.629 4.550 -0.000 0.000 0.294 69 Y C 1.973 178.002 175.900 0.216 0.000 1.141 69 Y CA 0.780 58.840 58.100 -0.067 0.000 1.308 69 Y CB 0.318 38.719 38.460 -0.098 0.000 1.002 69 Y HN 0.183 nan 8.280 nan 0.000 0.551 70 R N -0.010 120.548 120.500 0.097 0.000 2.468 70 R HA 0.138 4.478 4.340 -0.000 0.000 0.280 70 R C -0.389 175.915 176.300 0.007 0.000 0.963 70 R CA 0.110 56.099 56.100 -0.186 0.000 1.083 70 R CB 0.465 30.299 30.300 -0.776 0.000 1.200 70 R HN 0.093 nan 8.270 nan 0.000 0.541 71 E N 0.833 121.132 120.200 0.165 0.000 2.288 71 E HA 0.194 4.543 4.350 -0.000 0.000 0.268 71 E C -0.917 175.807 176.600 0.206 0.000 0.885 71 E CA -0.757 55.728 56.400 0.141 0.000 0.767 71 E CB 2.833 32.540 29.700 0.013 0.000 1.220 71 E HN -0.174 nan 8.360 nan 0.000 0.427 72 V N 2.035 122.074 119.914 0.208 0.000 3.083 72 V HA 0.257 4.376 4.120 -0.000 0.000 0.306 72 V C 0.473 176.582 176.094 0.026 0.000 1.077 72 V CA -0.447 61.967 62.300 0.189 0.000 1.073 72 V CB 1.208 33.278 31.823 0.412 0.000 1.081 72 V HN 0.751 nan 8.190 nan 0.000 0.474 73 M N 4.390 123.921 119.600 -0.116 0.000 2.246 73 M HA 0.167 4.647 4.480 -0.000 0.000 0.350 73 M C 1.246 177.388 176.300 -0.264 0.000 1.406 73 M CA 0.276 55.383 55.300 -0.321 0.000 1.089 73 M CB 0.458 32.614 32.600 -0.740 0.000 1.782 73 M HN 0.896 nan 8.290 nan 0.000 0.457 74 K N 3.142 123.420 120.400 -0.204 0.000 2.074 74 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 74 K C 1.049 177.558 176.600 -0.152 0.000 1.048 74 K CA 2.433 58.641 56.287 -0.132 0.000 0.926 74 K CB 0.146 32.577 32.500 -0.115 0.000 0.713 74 K HN 0.749 nan 8.250 nan 0.000 0.444 75 E N -0.535 119.505 120.200 -0.266 0.000 2.153 75 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 75 E C 1.634 178.186 176.600 -0.079 0.000 0.988 75 E CA 1.267 57.542 56.400 -0.208 0.000 0.811 75 E CB -0.118 29.401 29.700 -0.302 0.000 0.746 75 E HN 0.417 nan 8.360 nan 0.000 0.466 76 Y N -1.000 119.125 120.300 -0.291 0.000 2.475 76 Y HA 0.330 4.880 4.550 -0.000 0.000 0.289 76 Y C 1.410 177.150 175.900 -0.266 0.000 1.121 76 Y CA 0.646 58.444 58.100 -0.503 0.000 1.257 76 Y CB 0.023 37.793 38.460 -1.149 0.000 1.026 76 Y HN 0.051 nan 8.280 nan 0.000 0.555 77 G N -0.577 108.280 108.800 0.095 0.000 2.247 77 G HA2 0.166 4.126 3.960 -0.000 0.000 0.229 77 G HA3 0.166 4.126 3.960 -0.000 0.000 0.229 77 G C -0.571 174.477 174.900 0.246 0.000 1.345 77 G CA -0.408 44.824 45.100 0.220 0.000 1.100 77 G HN 0.257 nan 8.290 nan 0.000 0.473 78 T N -2.697 112.025 114.554 0.281 0.000 2.927 78 T HA 0.545 4.894 4.350 -0.000 0.000 0.286 78 T C 1.410 176.281 174.700 0.284 0.000 1.040 78 T CA 0.486 62.721 62.100 0.224 0.000 1.010 78 T CB 1.745 70.699 68.868 0.142 0.000 1.177 78 T HN 1.045 nan 8.240 nan 0.000 0.546 79 M N 0.482 120.222 119.600 0.232 0.000 2.149 79 M HA -0.006 4.474 4.480 -0.000 0.000 0.261 79 M C 2.125 178.557 176.300 0.220 0.000 1.064 79 M CA 1.837 57.291 55.300 0.257 0.000 1.102 79 M CB -1.000 31.718 32.600 0.196 0.000 1.369 79 M HN 0.900 nan 8.290 nan 0.000 0.408 80 E N -0.440 119.850 120.200 0.149 0.000 2.110 80 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 80 E C 1.327 177.972 176.600 0.075 0.000 0.988 80 E CA 1.623 58.081 56.400 0.096 0.000 0.804 80 E CB -0.093 29.649 29.700 0.070 0.000 0.745 80 E HN 0.553 nan 8.360 nan 0.000 0.458 81 D N -0.059 120.410 120.400 0.115 0.000 2.144 81 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 81 D C 1.673 177.910 176.300 -0.106 0.000 0.978 81 D CA 0.735 54.783 54.000 0.081 0.000 0.833 81 D CB -0.378 40.576 40.800 0.256 0.000 0.961 81 D HN 0.227 nan 8.370 nan 0.000 0.470 82 F N 2.148 121.923 119.950 -0.292 0.000 2.134 82 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 82 F C 1.722 177.362 175.800 -0.266 0.000 1.097 82 F CA 1.340 59.005 58.000 -0.559 0.000 1.264 82 F CB 0.004 38.817 39.000 -0.312 0.000 1.001 82 F HN -0.225 nan 8.300 nan 0.000 0.479 83 D N 0.019 120.387 120.400 -0.054 0.000 2.144 83 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 83 D C 2.326 178.514 176.300 -0.186 0.000 0.984 83 D CA 1.220 55.164 54.000 -0.095 0.000 0.834 83 D CB -0.457 40.360 40.800 0.028 0.000 0.955 83 D HN 0.322 nan 8.370 nan 0.000 0.465 84 R N 0.205 120.611 120.500 -0.156 0.000 2.075 84 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 84 R C 2.269 178.447 176.300 -0.204 0.000 1.126 84 R CA 0.616 56.633 56.100 -0.138 0.000 0.963 84 R CB -0.333 29.918 30.300 -0.082 0.000 0.858 84 R HN 0.124 nan 8.270 nan 0.000 0.435 85 L N 0.684 121.720 121.223 -0.310 0.000 2.012 85 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 85 L C 2.034 178.691 176.870 -0.355 0.000 1.073 85 L CA 1.866 56.500 54.840 -0.343 0.000 0.748 85 L CB -0.386 41.363 42.059 -0.517 0.000 0.891 85 L HN 0.230 nan 8.230 nan 0.000 0.431 86 M N -0.323 118.989 119.600 -0.480 0.000 2.080 86 M HA -0.172 4.307 4.480 -0.000 0.000 0.260 86 M C 2.461 178.633 176.300 -0.214 0.000 1.068 86 M CA 1.962 57.039 55.300 -0.371 0.000 1.109 86 M CB -1.742 30.621 32.600 -0.396 0.000 1.342 86 M HN 0.498 nan 8.290 nan 0.000 0.405 87 A N 0.017 122.728 122.820 -0.181 0.000 1.902 87 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 87 A C 2.079 179.597 177.584 -0.110 0.000 1.181 87 A CA 1.391 53.356 52.037 -0.120 0.000 0.623 87 A CB -0.477 18.466 19.000 -0.096 0.000 0.818 87 A HN 0.448 nan 8.150 nan 0.000 0.443 88 E N -0.080 120.048 120.200 -0.120 0.000 2.152 88 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 88 E C 2.010 178.549 176.600 -0.102 0.000 0.983 88 E CA 0.604 56.944 56.400 -0.099 0.000 0.818 88 E CB -0.334 29.310 29.700 -0.093 0.000 0.758 88 E HN 0.672 nan 8.360 nan 0.000 0.467 89 L N 0.694 121.842 121.223 -0.126 0.000 2.056 89 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 89 L C 2.655 179.458 176.870 -0.112 0.000 1.078 89 L CA 1.182 55.949 54.840 -0.121 0.000 0.749 89 L CB -0.269 41.705 42.059 -0.141 0.000 0.901 89 L HN 0.043 nan 8.230 nan 0.000 0.433 90 K N 0.470 120.803 120.400 -0.112 0.000 2.057 90 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 90 K C 2.066 178.614 176.600 -0.086 0.000 1.049 90 K CA 1.312 57.539 56.287 -0.100 0.000 0.931 90 K CB 0.092 32.538 32.500 -0.089 0.000 0.714 90 K HN 0.159 nan 8.250 nan 0.000 0.440 91 K N 0.007 120.360 120.400 -0.078 0.000 2.211 91 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 91 K C 1.636 178.197 176.600 -0.065 0.000 1.047 91 K CA 1.225 57.473 56.287 -0.065 0.000 0.935 91 K CB 0.017 32.482 32.500 -0.059 0.000 0.728 91 K HN 0.139 nan 8.250 nan 0.000 0.452 92 R N -0.522 119.935 120.500 -0.073 0.000 2.393 92 R HA 0.084 4.424 4.340 -0.000 0.000 0.244 92 R C 0.644 176.893 176.300 -0.085 0.000 0.920 92 R CA 0.363 56.421 56.100 -0.071 0.000 1.076 92 R CB 0.795 31.055 30.300 -0.068 0.000 1.119 92 R HN 0.267 nan 8.270 nan 0.000 0.524 93 G N 1.672 110.414 108.800 -0.096 0.000 2.198 93 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 93 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 93 G C 0.081 174.894 174.900 -0.145 0.000 1.025 93 G CA 0.416 45.446 45.100 -0.117 0.000 0.769 93 G HN 0.200 nan 8.290 nan 0.000 0.507 94 M N -1.006 118.511 119.600 -0.139 0.000 2.528 94 M HA 0.640 5.120 4.480 -0.000 0.000 0.318 94 M C 0.801 176.996 176.300 -0.175 0.000 1.195 94 M CA -0.561 54.646 55.300 -0.154 0.000 1.000 94 M CB 1.562 34.088 32.600 -0.123 0.000 1.615 94 M HN 0.150 nan 8.290 nan 0.000 0.469 95 R N 0.792 121.174 120.500 -0.197 0.000 2.778 95 R HA 0.726 5.066 4.340 -0.000 0.000 0.277 95 R C -1.652 174.623 176.300 -0.041 0.000 0.977 95 R CA -0.958 55.042 56.100 -0.167 0.000 0.950 95 R CB 1.999 32.106 30.300 -0.322 0.000 1.165 95 R HN 0.452 nan 8.270 nan 0.000 0.474 96 L N 2.586 123.832 121.223 0.039 0.000 2.322 96 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 96 L C -0.935 176.101 176.870 0.276 0.000 1.014 96 L CA -0.247 54.667 54.840 0.123 0.000 0.815 96 L CB 1.689 43.764 42.059 0.026 0.000 1.247 96 L HN 0.642 nan 8.230 nan 0.000 0.421 97 M N 6.608 126.453 119.600 0.407 0.000 2.227 97 M HA 0.657 5.137 4.480 -0.000 0.000 0.335 97 M C -1.257 175.313 176.300 0.450 0.000 1.053 97 M CA -0.783 54.801 55.300 0.475 0.000 0.973 97 M CB 1.485 34.478 32.600 0.656 0.000 1.623 97 M HN 0.526 nan 8.290 nan 0.000 0.434 98 V N 1.071 121.185 119.914 0.335 0.000 2.975 98 V HA 0.609 4.729 4.120 -0.000 0.000 0.318 98 V C -0.536 175.741 176.094 0.305 0.000 1.077 98 V CA -0.786 61.706 62.300 0.321 0.000 1.000 98 V CB 1.740 33.694 31.823 0.219 0.000 1.066 98 V HN 0.823 nan 8.190 nan 0.000 0.452 99 D N 1.071 121.702 120.400 0.385 0.000 2.225 99 D HA 0.476 5.115 4.640 -0.000 0.000 0.248 99 D C -0.973 175.446 176.300 0.199 0.000 1.096 99 D CA 0.055 54.258 54.000 0.338 0.000 0.863 99 D CB 1.876 42.941 40.800 0.443 0.000 1.156 99 D HN 0.501 nan 8.370 nan 0.000 0.450 100 V N 4.165 124.074 119.914 -0.008 0.000 2.378 100 V HA 0.229 4.348 4.120 -0.000 0.000 0.288 100 V C 0.052 176.179 176.094 0.056 0.000 1.016 100 V CA -0.753 61.493 62.300 -0.089 0.000 0.840 100 V CB 1.829 33.376 31.823 -0.459 0.000 0.994 100 V HN 0.336 nan 8.190 nan 0.000 0.431 101 V N 7.237 127.208 119.914 0.095 0.000 2.250 101 V HA 0.371 4.491 4.120 -0.000 0.000 0.268 101 V C 0.522 176.692 176.094 0.125 0.000 1.043 101 V CA -0.070 62.310 62.300 0.133 0.000 0.814 101 V CB 0.699 32.595 31.823 0.122 0.000 1.072 101 V HN 0.859 nan 8.190 nan 0.000 0.451 102 I N -0.081 120.585 120.570 0.160 0.000 3.833 102 I HA 0.423 4.593 4.170 -0.000 0.000 0.328 102 I C 1.227 177.450 176.117 0.175 0.000 1.554 102 I CA 0.010 61.378 61.300 0.115 0.000 1.116 102 I CB 0.155 38.206 38.000 0.086 0.000 1.182 102 I HN 0.432 nan 8.210 nan 0.000 0.459 103 N N 1.648 120.475 118.700 0.211 0.000 2.376 103 N HA -0.035 4.705 4.740 -0.000 0.000 0.177 103 N C 0.390 176.140 175.510 0.400 0.000 1.024 103 N CA 0.845 54.157 53.050 0.436 0.000 0.893 103 N CB 0.252 39.129 38.487 0.650 0.000 0.980 103 N HN 0.664 nan 8.380 nan 0.000 0.439 104 H N -3.338 115.944 119.070 0.354 0.000 3.014 104 H HA 0.443 4.999 4.556 -0.000 0.000 0.337 104 H C -1.293 174.220 175.328 0.308 0.000 1.320 104 H CA -0.828 55.413 56.048 0.322 0.000 1.128 104 H CB 0.612 30.561 29.762 0.312 0.000 1.862 104 H HN 0.059 nan 8.280 nan 0.000 0.536 105 S N 0.212 116.159 115.700 0.412 0.000 2.745 105 S HA 0.494 4.964 4.470 -0.000 0.000 0.306 105 S C -0.091 174.609 174.600 0.167 0.000 1.137 105 S CA -0.500 57.855 58.200 0.259 0.000 0.900 105 S CB 1.973 65.328 63.200 0.259 0.000 1.176 105 S HN 0.789 nan 8.310 nan 0.000 0.520 106 S N -0.099 115.634 115.700 0.055 0.000 2.593 106 S HA 0.187 4.657 4.470 -0.000 0.000 0.269 106 S C 0.651 175.182 174.600 -0.115 0.000 1.334 106 S CA 0.118 58.307 58.200 -0.018 0.000 1.015 106 S CB 0.083 63.257 63.200 -0.044 0.000 0.912 106 S HN 0.797 nan 8.310 nan 0.000 0.541 107 D N 1.460 121.714 120.400 -0.243 0.000 2.349 107 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 107 D C 0.906 177.212 176.300 0.009 0.000 1.029 107 D CA 0.470 54.211 54.000 -0.432 0.000 0.879 107 D CB -0.046 40.456 40.800 -0.498 0.000 0.906 107 D HN 0.441 nan 8.370 nan 0.000 0.528 108 Q N -0.240 119.558 119.800 -0.004 0.000 2.319 108 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 108 Q C 0.413 176.408 176.000 -0.008 0.000 0.896 108 Q CA -0.088 55.718 55.803 0.005 0.000 0.942 108 Q CB -0.127 28.583 28.738 -0.047 0.000 1.083 108 Q HN 0.550 nan 8.270 nan 0.000 0.510 109 H N 1.884 120.926 119.070 -0.046 0.000 2.815 109 H HA -0.006 4.550 4.556 -0.000 0.000 0.350 109 H C 0.892 176.192 175.328 -0.048 0.000 1.080 109 H CA 0.550 56.535 56.048 -0.105 0.000 1.433 109 H CB 1.073 30.789 29.762 -0.077 0.000 1.432 109 H HN 0.008 nan 8.280 nan 0.000 0.592 110 E N 3.649 123.691 120.200 -0.264 0.000 2.160 110 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 110 E C 2.017 178.686 176.600 0.114 0.000 0.991 110 E CA 0.734 57.072 56.400 -0.103 0.000 0.810 110 E CB -0.061 29.499 29.700 -0.234 0.000 0.742 110 E HN 0.692 nan 8.360 nan 0.000 0.466 111 W N -0.003 121.509 121.300 0.353 0.000 2.358 111 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 111 W C 2.183 178.864 176.519 0.270 0.000 1.208 111 W CA 0.246 57.659 57.345 0.114 0.000 1.274 111 W CB -1.386 28.287 29.460 0.354 0.000 1.138 111 W HN 0.070 nan 8.180 nan 0.000 0.515 112 F N 1.446 121.644 119.950 0.412 0.000 2.206 112 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 112 F C 2.194 177.998 175.800 0.006 0.000 1.090 112 F CA 1.596 59.590 58.000 -0.010 0.000 1.323 112 F CB -0.354 38.455 39.000 -0.318 0.000 1.028 112 F HN -0.249 nan 8.300 nan 0.000 0.492 113 K N -0.457 119.964 120.400 0.033 0.000 2.103 113 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 113 K C 2.243 178.763 176.600 -0.133 0.000 1.048 113 K CA 1.596 57.842 56.287 -0.070 0.000 0.930 113 K CB -0.344 32.139 32.500 -0.029 0.000 0.716 113 K HN 0.182 nan 8.250 nan 0.000 0.444 114 S N 0.503 116.137 115.700 -0.109 0.000 2.345 114 S HA -0.122 4.348 4.470 -0.000 0.000 0.219 114 S C 2.054 176.612 174.600 -0.071 0.000 1.031 114 S CA 1.153 59.291 58.200 -0.103 0.000 0.984 114 S CB -0.211 62.857 63.200 -0.220 0.000 0.874 114 S HN 0.307 nan 8.310 nan 0.000 0.451 115 S N 1.453 117.145 115.700 -0.013 0.000 2.374 115 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 115 S C 1.945 176.387 174.600 -0.263 0.000 1.037 115 S CA 1.254 59.477 58.200 0.037 0.000 1.024 115 S CB -0.237 63.175 63.200 0.354 0.000 0.861 115 S HN 0.411 nan 8.310 nan 0.000 0.456 116 R N 0.531 120.769 120.500 -0.438 0.000 2.120 116 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 116 R C 2.616 178.658 176.300 -0.429 0.000 1.123 116 R CA 1.072 56.847 56.100 -0.542 0.000 0.975 116 R CB -0.571 29.472 30.300 -0.428 0.000 0.866 116 R HN 0.511 nan 8.270 nan 0.000 0.446 117 A N 0.900 123.550 122.820 -0.283 0.000 1.917 117 A HA -0.145 4.174 4.320 -0.000 0.000 0.219 117 A C 1.013 178.474 177.584 -0.206 0.000 1.182 117 A CA 1.815 53.731 52.037 -0.200 0.000 0.633 117 A CB -0.117 18.804 19.000 -0.132 0.000 0.819 117 A HN 0.456 nan 8.150 nan 0.000 0.448 118 S N -4.009 111.548 115.700 -0.240 0.000 2.595 118 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 118 S C -0.109 174.354 174.600 -0.229 0.000 1.145 118 S CA -0.280 57.796 58.200 -0.207 0.000 0.825 118 S CB 0.959 64.082 63.200 -0.128 0.000 1.107 118 S HN 0.197 nan 8.310 nan 0.000 0.461 119 K N 0.405 120.695 120.400 -0.183 0.000 2.283 119 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 119 K C 0.702 177.249 176.600 -0.089 0.000 1.048 119 K CA 1.542 57.742 56.287 -0.146 0.000 0.948 119 K CB -0.262 32.185 32.500 -0.089 0.000 0.742 119 K HN 0.752 nan 8.250 nan 0.000 0.458 120 D N -0.227 120.125 120.400 -0.080 0.000 2.340 120 D HA -0.074 4.566 4.640 -0.000 0.000 0.217 120 D C 0.102 176.367 176.300 -0.060 0.000 1.081 120 D CA -0.195 53.771 54.000 -0.057 0.000 0.842 120 D CB -0.380 40.392 40.800 -0.046 0.000 0.934 120 D HN -0.054 nan 8.370 nan 0.000 0.511 121 N N 1.497 120.155 118.700 -0.070 0.000 2.454 121 N HA 0.002 4.742 4.740 -0.000 0.000 0.254 121 N C -1.606 173.865 175.510 -0.065 0.000 1.228 121 N CA -0.960 52.061 53.050 -0.048 0.000 0.900 121 N CB 1.611 40.075 38.487 -0.040 0.000 1.089 121 N HN -0.179 nan 8.380 nan 0.000 0.449 122 P HA -0.093 nan 4.420 nan 0.000 0.219 122 P C -0.014 176.993 177.300 -0.488 0.000 1.146 122 P CA 1.414 64.341 63.100 -0.288 0.000 0.808 122 P CB 0.012 31.487 31.700 -0.376 0.000 0.779 123 Y N -2.170 117.987 120.300 -0.239 0.000 2.468 123 Y HA 0.198 4.748 4.550 -0.000 0.000 0.268 123 Y C 2.234 178.102 175.900 -0.053 0.000 1.177 123 Y CA -0.313 57.549 58.100 -0.397 0.000 1.265 123 Y CB -0.209 37.984 38.460 -0.444 0.000 1.103 123 Y HN -0.247 nan 8.280 nan 0.000 0.522 124 R N 1.217 121.769 120.500 0.087 0.000 2.096 124 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 124 R C 0.631 177.135 176.300 0.340 0.000 1.139 124 R CA 1.996 58.191 56.100 0.158 0.000 0.952 124 R CB -0.458 29.860 30.300 0.029 0.000 0.854 124 R HN 0.126 nan 8.270 nan 0.000 0.436 125 D N -0.515 120.013 120.400 0.213 0.000 2.352 125 D HA -0.036 4.604 4.640 -0.000 0.000 0.236 125 D C 0.246 176.599 176.300 0.089 0.000 1.148 125 D CA 0.216 54.314 54.000 0.164 0.000 0.844 125 D CB -0.012 40.831 40.800 0.072 0.000 0.933 125 D HN 0.268 nan 8.370 nan 0.000 0.507 126 Y N -0.607 119.632 120.300 -0.101 0.000 2.546 126 Y HA 0.056 4.606 4.550 -0.000 0.000 0.287 126 Y C 0.154 175.620 175.900 -0.723 0.000 1.158 126 Y CA 0.228 58.069 58.100 -0.430 0.000 1.307 126 Y CB 0.044 38.285 38.460 -0.365 0.000 1.036 126 Y HN -0.052 nan 8.280 nan 0.000 0.532 127 Y N -2.803 117.569 120.300 0.119 0.000 2.805 127 Y HA 0.464 5.013 4.550 -0.000 0.000 0.323 127 Y C -1.233 174.561 175.900 -0.178 0.000 1.279 127 Y CA -2.040 56.059 58.100 -0.003 0.000 1.103 127 Y CB 0.706 39.289 38.460 0.205 0.000 1.324 127 Y HN -0.404 nan 8.280 nan 0.000 0.498 128 F N 0.653 120.746 119.950 0.237 0.000 2.361 128 F HA 0.365 4.892 4.527 -0.000 0.000 0.364 128 F C -1.243 174.654 175.800 0.161 0.000 1.117 128 F CA -0.876 57.283 58.000 0.266 0.000 1.071 128 F CB 0.557 39.715 39.000 0.264 0.000 1.188 128 F HN 0.212 nan 8.300 nan 0.000 0.464 129 W N 4.530 126.176 121.300 0.578 0.000 2.532 129 W HA 0.738 5.398 4.660 -0.000 0.000 0.321 129 W C -0.250 176.487 176.519 0.363 0.000 1.037 129 W CA -0.724 56.902 57.345 0.467 0.000 1.220 129 W CB 1.443 31.095 29.460 0.319 0.000 1.361 129 W HN 0.160 nan 8.180 nan 0.000 0.468 130 R N 1.580 122.369 120.500 0.480 0.000 2.707 130 R HA 0.263 4.603 4.340 -0.000 0.000 0.272 130 R C -1.038 175.334 176.300 0.120 0.000 1.011 130 R CA -1.035 55.174 56.100 0.181 0.000 0.893 130 R CB 1.696 31.907 30.300 -0.149 0.000 1.233 130 R HN 0.421 nan 8.270 nan 0.000 0.464 131 D N 0.369 120.809 120.400 0.066 0.000 2.362 131 D HA 0.248 4.887 4.640 -0.000 0.000 0.242 131 D C 0.724 176.986 176.300 -0.062 0.000 1.132 131 D CA 0.345 54.390 54.000 0.074 0.000 0.907 131 D CB 0.904 41.728 40.800 0.041 0.000 1.195 131 D HN 0.573 nan 8.370 nan 0.000 0.429 132 G N -0.490 108.327 108.800 0.029 0.000 2.616 132 G HA2 0.533 4.493 3.960 -0.000 0.000 0.268 132 G HA3 0.533 4.493 3.960 -0.000 0.000 0.268 132 G C -0.394 174.402 174.900 -0.173 0.000 1.213 132 G CA -0.280 44.689 45.100 -0.219 0.000 0.926 132 G HN 0.596 nan 8.290 nan 0.000 0.523 133 K N -1.793 118.480 120.400 -0.211 0.000 2.422 133 K HA 0.683 5.003 4.320 -0.000 0.000 0.251 133 K C 0.287 176.824 176.600 -0.105 0.000 0.933 133 K CA 0.578 56.782 56.287 -0.138 0.000 0.798 133 K CB 0.519 32.929 32.500 -0.149 0.000 1.238 133 K HN 2.165 nan 8.250 nan 0.000 0.428 134 D N -0.358 119.993 120.400 -0.082 0.000 2.737 134 D HA 0.206 4.846 4.640 -0.000 0.000 0.233 134 D C 1.846 178.036 176.300 -0.183 0.000 1.155 134 D CA 2.454 56.407 54.000 -0.077 0.000 0.667 134 D CB -1.966 38.822 40.800 -0.020 0.000 1.060 134 D HN 2.516 nan 8.370 nan 0.000 0.427 135 G N -1.904 106.758 108.800 -0.231 0.000 2.179 135 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 135 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 135 G C 0.389 174.892 174.900 -0.661 0.000 0.977 135 G CA 1.358 46.209 45.100 -0.416 0.000 0.641 135 G HN 1.440 nan 8.290 nan 0.000 0.533 136 H N -0.391 118.655 119.070 -0.040 0.000 3.747 136 H HA 0.542 5.098 4.556 -0.000 0.000 0.343 136 H C 0.255 175.412 175.328 -0.286 0.000 1.692 136 H CA -0.455 55.550 56.048 -0.071 0.000 1.262 136 H CB -0.044 29.672 29.762 -0.077 0.000 1.557 136 H HN 0.238 nan 8.280 nan 0.000 0.722 137 E N 1.159 121.191 120.200 -0.279 0.000 2.425 137 E HA 0.039 4.388 4.350 -0.000 0.000 0.258 137 E C -1.621 174.495 176.600 -0.807 0.000 1.151 137 E CA -0.997 54.892 56.400 -0.852 0.000 0.958 137 E CB 0.044 29.459 29.700 -0.475 0.000 0.968 137 E HN 0.276 nan 8.360 nan 0.000 0.451 138 P HA -0.145 nan 4.420 nan 0.000 0.216 138 P C -0.513 176.381 177.300 -0.677 0.000 1.150 138 P CA 1.663 64.146 63.100 -1.029 0.000 0.843 138 P CB 0.172 30.800 31.700 -1.785 0.000 0.787 139 N N -3.343 114.981 118.700 -0.627 0.000 3.308 139 N HA 0.027 4.767 4.740 -0.000 0.000 0.276 139 N C -0.453 174.993 175.510 -0.106 0.000 1.533 139 N CA -0.748 52.134 53.050 -0.281 0.000 0.878 139 N CB -0.724 37.602 38.487 -0.269 0.000 1.566 139 N HN -0.278 nan 8.380 nan 0.000 0.546 140 N N -1.402 117.294 118.700 -0.008 0.000 2.370 140 N HA 0.030 4.770 4.740 -0.000 0.000 0.198 140 N C -0.715 174.884 175.510 0.147 0.000 1.156 140 N CA -0.127 52.952 53.050 0.048 0.000 0.839 140 N CB -0.552 37.950 38.487 0.025 0.000 0.989 140 N HN 0.410 nan 8.380 nan 0.000 0.468 141 Y N 2.308 122.652 120.300 0.073 0.000 2.721 141 Y HA 0.154 4.704 4.550 -0.000 0.000 0.329 141 Y C -1.809 173.964 175.900 -0.212 0.000 1.211 141 Y CA -2.212 55.882 58.100 -0.009 0.000 1.512 141 Y CB -0.068 38.409 38.460 0.029 0.000 1.249 141 Y HN 0.198 nan 8.280 nan 0.000 0.549 142 P HA 0.227 nan 4.420 nan 0.000 0.287 142 P C -0.821 176.068 177.300 -0.685 0.000 1.279 142 P CA -0.708 62.064 63.100 -0.547 0.000 0.867 142 P CB 2.224 33.445 31.700 -0.798 0.000 1.127 143 S N 0.379 115.795 115.700 -0.474 0.000 2.578 143 S HA 0.351 4.821 4.470 -0.000 0.000 0.283 143 S C 0.828 175.282 174.600 -0.243 0.000 1.195 143 S CA -0.530 57.441 58.200 -0.383 0.000 1.050 143 S CB -0.156 62.938 63.200 -0.177 0.000 1.012 143 S HN 0.213 nan 8.310 nan 0.000 0.511 144 F N 2.318 122.193 119.950 -0.125 0.000 2.269 144 F HA 0.120 4.647 4.527 -0.000 0.000 0.301 144 F C 1.008 176.958 175.800 0.251 0.000 1.082 144 F CA 0.764 58.805 58.000 0.068 0.000 1.360 144 F CB -0.116 38.744 39.000 -0.234 0.000 1.041 144 F HN 0.543 nan 8.300 nan 0.000 0.512 145 F N 0.326 120.412 119.950 0.226 0.000 2.668 145 F HA 0.535 5.061 4.527 -0.000 0.000 0.297 145 F C 0.929 176.767 175.800 0.063 0.000 1.124 145 F CA -0.657 57.410 58.000 0.112 0.000 1.353 145 F CB -0.367 38.719 39.000 0.142 0.000 0.992 145 F HN -0.091 nan 8.300 nan 0.000 0.524 146 G N -0.548 108.393 108.800 0.234 0.000 3.055 146 G HA2 0.468 4.427 3.960 -0.000 0.000 0.685 146 G HA3 0.468 4.427 3.960 -0.000 0.000 0.685 146 G C 0.089 175.043 174.900 0.090 0.000 1.212 146 G CA -0.376 44.808 45.100 0.139 0.000 0.822 146 G HN 0.963 nan 8.290 nan 0.000 0.610 147 G N 0.298 109.114 108.800 0.027 0.000 2.645 147 G HA2 0.221 4.181 3.960 -0.000 0.000 0.246 147 G HA3 0.221 4.181 3.960 -0.000 0.000 0.246 147 G C 0.843 175.715 174.900 -0.046 0.000 1.322 147 G CA 0.874 45.976 45.100 0.003 0.000 0.898 147 G HN 2.410 nan 8.290 nan 0.000 0.573 148 S N -0.281 115.408 115.700 -0.017 0.000 2.585 148 S HA 0.539 5.008 4.470 -0.000 0.000 0.273 148 S C 1.531 176.014 174.600 -0.195 0.000 1.339 148 S CA 0.773 58.942 58.200 -0.053 0.000 1.028 148 S CB 1.038 64.268 63.200 0.050 0.000 0.906 148 S HN 2.144 nan 8.310 nan 0.000 0.528 149 A N 3.527 126.130 122.820 -0.362 0.000 2.278 149 A HA 0.272 4.592 4.320 -0.000 0.000 0.212 149 A C -0.306 176.672 177.584 -1.010 0.000 1.213 149 A CA -0.408 51.117 52.037 -0.854 0.000 0.840 149 A CB -0.269 18.357 19.000 -0.623 0.000 0.866 149 A HN 0.765 nan 8.150 nan 0.000 0.489 150 W N -0.743 120.370 121.300 -0.312 0.000 2.656 150 W HA 0.587 5.247 4.660 -0.000 0.000 0.327 150 W C -0.192 176.367 176.519 0.066 0.000 1.041 150 W CA -0.575 56.681 57.345 -0.149 0.000 1.229 150 W CB 1.203 30.535 29.460 -0.213 0.000 1.397 150 W HN 0.124 nan 8.180 nan 0.000 0.479 151 E N 3.288 123.567 120.200 0.131 0.000 2.191 151 E HA 0.279 4.629 4.350 -0.000 0.000 0.263 151 E C -0.892 175.669 176.600 -0.065 0.000 0.881 151 E CA -0.870 55.494 56.400 -0.060 0.000 0.757 151 E CB 1.124 30.499 29.700 -0.542 0.000 1.147 151 E HN 0.298 nan 8.360 nan 0.000 0.414 152 K N 3.051 123.364 120.400 -0.145 0.000 2.350 152 K HA 0.130 4.449 4.320 -0.000 0.000 0.279 152 K C -0.872 175.718 176.600 -0.016 0.000 1.027 152 K CA -0.287 55.725 56.287 -0.458 0.000 0.969 152 K CB 0.607 32.648 32.500 -0.766 0.000 0.954 152 K HN 0.460 nan 8.250 nan 0.000 0.474 153 D N 5.530 126.015 120.400 0.142 0.000 2.440 153 D HA 0.196 4.836 4.640 -0.000 0.000 0.239 153 D C -1.760 174.585 176.300 0.074 0.000 1.084 153 D CA -2.427 51.719 54.000 0.242 0.000 0.843 153 D CB 1.679 42.780 40.800 0.500 0.000 1.097 153 D HN 0.304 nan 8.370 nan 0.000 0.531 154 P HA -0.125 nan 4.420 nan 0.000 0.225 154 P C 1.490 178.777 177.300 -0.022 0.000 1.148 154 P CA 0.330 63.426 63.100 -0.006 0.000 0.779 154 P CB 0.556 32.256 31.700 0.001 0.000 0.780 155 V N 0.732 120.631 119.914 -0.024 0.000 2.469 155 V HA -0.165 3.954 4.120 -0.000 0.000 0.251 155 V C 2.430 178.461 176.094 -0.104 0.000 1.064 155 V CA 2.626 64.886 62.300 -0.067 0.000 1.066 155 V CB -1.584 30.184 31.823 -0.091 0.000 0.667 155 V HN 0.394 nan 8.190 nan 0.000 0.461 156 T N -5.328 109.154 114.554 -0.119 0.000 2.986 156 T HA 0.406 4.756 4.350 -0.000 0.000 0.264 156 T C 1.476 176.135 174.700 -0.067 0.000 0.964 156 T CA 0.902 62.921 62.100 -0.134 0.000 0.895 156 T CB 1.086 69.797 68.868 -0.261 0.000 1.163 156 T HN 0.878 nan 8.240 nan 0.000 0.517 157 G N 1.308 110.084 108.800 -0.040 0.000 2.179 157 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.260 157 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.260 157 G C -0.124 174.779 174.900 0.004 0.000 0.977 157 G CA 0.281 45.363 45.100 -0.030 0.000 0.641 157 G HN 0.696 nan 8.290 nan 0.000 0.533 158 Q N -1.164 118.689 119.800 0.090 0.000 2.195 158 Q HA 0.678 5.018 4.340 -0.000 0.000 0.250 158 Q C -0.789 175.444 176.000 0.388 0.000 0.988 158 Q CA -0.867 55.099 55.803 0.272 0.000 0.911 158 Q CB 1.131 30.090 28.738 0.367 0.000 1.258 158 Q HN 0.298 nan 8.270 nan 0.000 0.475 159 Y N 0.233 120.768 120.300 0.391 0.000 2.387 159 Y HA 0.301 4.851 4.550 -0.000 0.000 0.336 159 Y C -0.522 175.650 175.900 0.454 0.000 1.067 159 Y CA -0.824 57.489 58.100 0.356 0.000 1.114 159 Y CB 0.881 39.442 38.460 0.169 0.000 1.208 159 Y HN 0.445 nan 8.280 nan 0.000 0.458 160 Y N 0.822 121.298 120.300 0.294 0.000 2.487 160 Y HA 0.714 5.264 4.550 -0.000 0.000 0.337 160 Y C -1.210 174.714 175.900 0.039 0.000 1.076 160 Y CA -1.925 56.061 58.100 -0.190 0.000 1.115 160 Y CB 0.746 38.613 38.460 -0.988 0.000 1.235 160 Y HN 0.507 nan 8.280 nan 0.000 0.468 161 L N 4.213 125.373 121.223 -0.105 0.000 2.326 161 L HA 0.431 4.770 4.340 -0.000 0.000 0.278 161 L C -0.889 175.849 176.870 -0.219 0.000 1.092 161 L CA -0.207 54.210 54.840 -0.706 0.000 0.810 161 L CB 0.162 41.584 42.059 -1.061 0.000 1.153 161 L HN 0.953 nan 8.230 nan 0.000 0.439 162 H N 2.353 121.168 119.070 -0.425 0.000 3.275 162 H HA 0.313 4.869 4.556 -0.000 0.000 0.326 162 H C -0.691 174.504 175.328 -0.220 0.000 1.096 162 H CA -0.675 55.254 56.048 -0.198 0.000 1.579 162 H CB -0.179 29.564 29.762 -0.031 0.000 1.834 162 H HN 0.478 nan 8.280 nan 0.000 0.510 163 Y N 2.025 122.126 120.300 -0.332 0.000 2.274 163 Y HA -0.034 4.516 4.550 -0.000 0.000 0.290 163 Y C 0.498 176.039 175.900 -0.599 0.000 1.145 163 Y CA 0.669 58.443 58.100 -0.543 0.000 1.203 163 Y CB -0.397 37.779 38.460 -0.474 0.000 0.984 163 Y HN 0.510 nan 8.280 nan 0.000 0.533 164 F N -1.217 118.752 119.950 0.032 0.000 2.773 164 F HA 0.529 5.056 4.527 -0.000 0.000 0.189 164 F C 1.680 177.504 175.800 0.040 0.000 1.212 164 F CA -0.629 57.199 58.000 -0.288 0.000 0.950 164 F CB -0.903 37.738 39.000 -0.599 0.000 2.157 164 F HN -0.233 nan 8.300 nan 0.000 0.590 165 G N -0.214 108.825 108.800 0.399 0.000 2.614 165 G HA2 0.167 4.127 3.960 -0.000 0.000 0.239 165 G HA3 0.167 4.127 3.960 -0.000 0.000 0.239 165 G C 0.541 175.492 174.900 0.085 0.000 1.240 165 G CA -0.452 44.903 45.100 0.425 0.000 0.842 165 G HN 0.449 nan 8.290 nan 0.000 0.584 166 R N -0.097 120.298 120.500 -0.174 0.000 2.159 166 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 166 R C 1.982 178.166 176.300 -0.195 0.000 1.131 166 R CA 1.320 57.067 56.100 -0.587 0.000 0.982 166 R CB 0.003 30.122 30.300 -0.303 0.000 0.868 166 R HN 0.597 nan 8.270 nan 0.000 0.453 167 Q N 0.113 119.872 119.800 -0.067 0.000 2.247 167 Q HA 0.056 4.396 4.340 -0.000 0.000 0.205 167 Q C -0.238 175.724 176.000 -0.063 0.000 0.896 167 Q CA 0.206 55.968 55.803 -0.068 0.000 0.950 167 Q CB 0.857 29.581 28.738 -0.023 0.000 1.054 167 Q HN 0.244 nan 8.270 nan 0.000 0.482 168 Q N 1.582 121.373 119.800 -0.015 0.000 2.943 168 Q HA 0.220 4.560 4.340 -0.000 0.000 0.327 168 Q C -2.477 173.579 176.000 0.093 0.000 0.937 168 Q CA -1.831 54.007 55.803 0.058 0.000 0.914 168 Q CB 1.222 29.987 28.738 0.045 0.000 1.339 168 Q HN 0.117 nan 8.270 nan 0.000 0.417 169 P HA -0.021 nan 4.420 nan 0.000 0.268 169 P C -0.635 176.861 177.300 0.326 0.000 1.204 169 P CA -0.008 63.096 63.100 0.007 0.000 0.768 169 P CB 0.926 32.162 31.700 -0.772 0.000 0.842 170 D N 2.137 122.742 120.400 0.342 0.000 2.389 170 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 170 D C 0.435 177.006 176.300 0.451 0.000 1.128 170 D CA 0.194 54.430 54.000 0.394 0.000 0.884 170 D CB 0.159 41.064 40.800 0.176 0.000 1.194 170 D HN 0.246 nan 8.370 nan 0.000 0.441 171 L N 2.491 123.899 121.223 0.309 0.000 2.417 171 L HA 0.170 4.510 4.340 -0.000 0.000 0.268 171 L C 0.794 177.651 176.870 -0.022 0.000 1.158 171 L CA -0.373 54.435 54.840 -0.053 0.000 0.819 171 L CB 0.427 42.416 42.059 -0.117 0.000 1.112 171 L HN 0.335 nan 8.230 nan 0.000 0.458 172 N N 1.494 119.935 118.700 -0.432 0.000 2.645 172 N HA 0.053 4.793 4.740 -0.000 0.000 0.233 172 N C 0.199 175.497 175.510 -0.353 0.000 1.058 172 N CA -0.241 52.482 53.050 -0.546 0.000 0.942 172 N CB 0.432 38.383 38.487 -0.893 0.000 1.210 172 N HN 0.462 nan 8.380 nan 0.000 0.512 173 W N 1.269 122.412 121.300 -0.260 0.000 2.611 173 W HA 0.023 4.683 4.660 -0.000 0.000 0.251 173 W C 1.082 177.275 176.519 -0.544 0.000 1.265 173 W CA 0.072 57.126 57.345 -0.485 0.000 1.295 173 W CB 0.337 29.492 29.460 -0.509 0.000 1.129 173 W HN 0.468 nan 8.180 nan 0.000 0.630 174 D N -1.179 119.229 120.400 0.012 0.000 2.363 174 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 174 D C 0.298 176.567 176.300 -0.051 0.000 0.994 174 D CA 0.884 54.951 54.000 0.110 0.000 0.890 174 D CB -0.180 40.761 40.800 0.235 0.000 0.906 174 D HN -0.075 nan 8.370 nan 0.000 0.530 175 T N 1.962 116.382 114.554 -0.225 0.000 2.762 175 T HA 0.182 4.531 4.350 -0.000 0.000 0.303 175 T C -1.699 172.785 174.700 -0.359 0.000 0.977 175 T CA -1.515 60.424 62.100 -0.269 0.000 0.961 175 T CB 2.203 70.864 68.868 -0.346 0.000 0.944 175 T HN -0.144 nan 8.240 nan 0.000 0.481 176 P HA -0.115 nan 4.420 nan 0.000 0.216 176 P C 1.454 178.551 177.300 -0.338 0.000 1.153 176 P CA 1.109 64.069 63.100 -0.235 0.000 0.858 176 P CB 0.250 31.885 31.700 -0.108 0.000 0.789 177 K N -0.766 119.441 120.400 -0.322 0.000 2.097 177 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 177 K C 1.991 178.224 176.600 -0.611 0.000 1.049 177 K CA 0.915 56.998 56.287 -0.341 0.000 0.933 177 K CB -0.783 31.592 32.500 -0.209 0.000 0.717 177 K HN 0.124 nan 8.250 nan 0.000 0.442 178 L N 1.441 122.089 121.223 -0.957 0.000 2.056 178 L HA -0.164 4.175 4.340 -0.000 0.000 0.207 178 L C 2.021 178.199 176.870 -1.155 0.000 1.078 178 L CA 1.634 55.610 54.840 -1.440 0.000 0.749 178 L CB -0.444 40.641 42.059 -1.624 0.000 0.901 178 L HN 0.190 nan 8.230 nan 0.000 0.433 179 R N -0.189 119.677 120.500 -1.057 0.000 2.091 179 R HA -0.164 4.175 4.340 -0.000 0.000 0.238 179 R C 2.003 177.495 176.300 -1.346 0.000 1.136 179 R CA 1.360 56.678 56.100 -1.303 0.000 0.959 179 R CB -0.243 29.487 30.300 -0.950 0.000 0.856 179 R HN 0.446 nan 8.270 nan 0.000 0.437 180 E N 0.818 120.553 120.200 -0.775 0.000 2.153 180 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 180 E C 1.849 178.237 176.600 -0.353 0.000 0.988 180 E CA 1.015 57.156 56.400 -0.431 0.000 0.811 180 E CB -0.009 29.576 29.700 -0.193 0.000 0.746 180 E HN 0.445 nan 8.360 nan 0.000 0.466 181 E N 0.442 120.380 120.200 -0.436 0.000 2.106 181 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 181 E C 2.344 178.817 176.600 -0.211 0.000 0.984 181 E CA 0.438 56.693 56.400 -0.241 0.000 0.806 181 E CB -0.054 29.468 29.700 -0.297 0.000 0.750 181 E HN 0.259 nan 8.360 nan 0.000 0.458 182 L N 0.184 121.119 121.223 -0.480 0.000 2.093 182 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 182 L C 2.424 179.227 176.870 -0.112 0.000 1.085 182 L CA 0.992 55.600 54.840 -0.386 0.000 0.755 182 L CB -0.549 41.096 42.059 -0.689 0.000 0.904 182 L HN 0.142 nan 8.230 nan 0.000 0.435 183 Y N 0.127 120.355 120.300 -0.120 0.000 2.242 183 Y HA -0.122 4.427 4.550 -0.000 0.000 0.291 183 Y C 2.686 178.591 175.900 0.009 0.000 1.137 183 Y CA 0.446 58.527 58.100 -0.032 0.000 1.181 183 Y CB -1.250 37.194 38.460 -0.025 0.000 0.989 183 Y HN 0.099 nan 8.280 nan 0.000 0.527 184 A N -0.094 122.814 122.820 0.147 0.000 1.933 184 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 184 A C 2.389 180.063 177.584 0.150 0.000 1.175 184 A CA 1.648 53.764 52.037 0.132 0.000 0.628 184 A CB -0.670 18.385 19.000 0.092 0.000 0.814 184 A HN 0.375 nan 8.150 nan 0.000 0.444 185 M N -0.044 119.633 119.600 0.127 0.000 2.132 185 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 185 M C 1.913 178.396 176.300 0.306 0.000 1.065 185 M CA 1.677 57.076 55.300 0.164 0.000 1.122 185 M CB -0.837 31.794 32.600 0.052 0.000 1.365 185 M HN 0.435 nan 8.290 nan 0.000 0.411 186 L N -0.464 120.911 121.223 0.253 0.000 2.083 186 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 186 L C 2.571 179.540 176.870 0.165 0.000 1.083 186 L CA 1.137 56.143 54.840 0.277 0.000 0.752 186 L CB -0.707 41.478 42.059 0.210 0.000 0.899 186 L HN 0.311 nan 8.230 nan 0.000 0.433 187 R N -0.642 119.922 120.500 0.107 0.000 2.120 187 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 187 R C 2.276 178.632 176.300 0.094 0.000 1.123 187 R CA 1.476 57.608 56.100 0.052 0.000 0.975 187 R CB -0.466 29.931 30.300 0.162 0.000 0.866 187 R HN 0.229 nan 8.270 nan 0.000 0.446 188 F N 0.029 119.968 119.950 -0.019 0.000 2.126 188 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 188 F C 1.449 177.115 175.800 -0.224 0.000 1.096 188 F CA 1.480 59.383 58.000 -0.162 0.000 1.255 188 F CB -0.197 38.631 39.000 -0.287 0.000 0.997 188 F HN -0.019 nan 8.300 nan 0.000 0.479 189 W N 0.255 121.631 121.300 0.127 0.000 2.453 189 W HA 0.030 4.690 4.660 -0.000 0.000 0.289 189 W C 2.200 178.725 176.519 0.009 0.000 1.215 189 W CA 0.670 58.050 57.345 0.060 0.000 1.297 189 W CB -0.530 29.085 29.460 0.259 0.000 1.113 189 W HN -0.048 nan 8.180 nan 0.000 0.551 190 L N 0.050 121.348 121.223 0.125 0.000 2.141 190 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 190 L C 1.679 178.568 176.870 0.031 0.000 1.094 190 L CA 1.014 55.813 54.840 -0.068 0.000 0.763 190 L CB -0.630 41.001 42.059 -0.715 0.000 0.908 190 L HN -0.093 nan 8.230 nan 0.000 0.437 191 D N 0.263 120.683 120.400 0.032 0.000 2.310 191 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 191 D C 1.895 178.206 176.300 0.019 0.000 0.965 191 D CA 0.979 55.036 54.000 0.094 0.000 0.879 191 D CB 0.048 40.867 40.800 0.031 0.000 0.921 191 D HN 0.300 nan 8.370 nan 0.000 0.510 192 K N -0.675 119.710 120.400 -0.025 0.000 2.459 192 K HA 0.168 4.488 4.320 -0.000 0.000 0.193 192 K C 1.180 177.837 176.600 0.095 0.000 1.030 192 K CA 0.536 56.829 56.287 0.010 0.000 1.026 192 K CB 0.694 33.211 32.500 0.028 0.000 0.809 192 K HN 0.128 nan 8.250 nan 0.000 0.504 193 G N 1.406 110.283 108.800 0.129 0.000 2.184 193 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 193 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 193 G C 0.201 175.192 174.900 0.151 0.000 0.995 193 G CA -0.056 45.119 45.100 0.126 0.000 0.651 193 G HN 0.200 nan 8.290 nan 0.000 0.511 194 V N -0.285 119.760 119.914 0.217 0.000 2.617 194 V HA 0.567 4.687 4.120 -0.000 0.000 0.304 194 V C 1.186 177.426 176.094 0.243 0.000 1.040 194 V CA 1.322 63.768 62.300 0.245 0.000 1.149 194 V CB 1.257 33.281 31.823 0.336 0.000 0.914 194 V HN 0.427 nan 8.190 nan 0.000 0.487 195 S N 3.237 119.081 115.700 0.241 0.000 2.548 195 S HA 0.459 4.929 4.470 -0.000 0.000 0.215 195 S C 0.737 175.610 174.600 0.454 0.000 0.976 195 S CA 0.470 58.856 58.200 0.310 0.000 0.908 195 S CB 0.248 63.561 63.200 0.188 0.000 0.781 195 S HN 1.466 nan 8.310 nan 0.000 0.519 196 G N 0.713 109.752 108.800 0.399 0.000 2.698 196 G HA2 0.670 4.630 3.960 -0.000 0.000 0.293 196 G HA3 0.670 4.630 3.960 -0.000 0.000 0.293 196 G C -1.578 173.481 174.900 0.266 0.000 1.437 196 G CA -0.737 44.583 45.100 0.366 0.000 0.852 196 G HN 0.131 nan 8.290 nan 0.000 0.499 197 M N 1.354 121.045 119.600 0.151 0.000 2.326 197 M HA 0.452 4.932 4.480 -0.000 0.000 0.292 197 M C -0.560 175.654 176.300 -0.142 0.000 1.081 197 M CA -0.855 54.444 55.300 -0.002 0.000 0.919 197 M CB 2.969 35.562 32.600 -0.011 0.000 1.634 197 M HN 0.436 nan 8.290 nan 0.000 0.451 198 R N 3.093 123.439 120.500 -0.257 0.000 2.265 198 R HA 0.449 4.788 4.340 -0.000 0.000 0.328 198 R C -1.934 174.193 176.300 -0.288 0.000 0.969 198 R CA -0.237 55.693 56.100 -0.283 0.000 0.832 198 R CB 0.621 30.500 30.300 -0.702 0.000 1.139 198 R HN 0.562 nan 8.270 nan 0.000 0.457 199 F N 3.113 123.077 119.950 0.022 0.000 2.375 199 F HA 0.130 4.657 4.527 -0.000 0.000 0.362 199 F C 0.807 176.677 175.800 0.117 0.000 1.129 199 F CA -0.532 57.550 58.000 0.136 0.000 1.154 199 F CB 0.669 39.774 39.000 0.175 0.000 1.205 199 F HN 0.500 nan 8.300 nan 0.000 0.513 200 D N 1.952 122.495 120.400 0.238 0.000 2.493 200 D HA -0.057 4.583 4.640 -0.000 0.000 0.240 200 D C 0.842 177.275 176.300 0.223 0.000 1.142 200 D CA 0.752 54.874 54.000 0.202 0.000 0.872 200 D CB 0.676 41.638 40.800 0.270 0.000 1.173 200 D HN 0.641 nan 8.370 nan 0.000 0.467 201 T N 2.758 117.392 114.554 0.134 0.000 3.398 201 T HA -0.221 4.129 4.350 -0.000 0.000 0.408 201 T C 1.079 175.849 174.700 0.118 0.000 0.769 201 T CA 0.662 62.883 62.100 0.202 0.000 2.018 201 T CB -1.131 67.936 68.868 0.333 0.000 1.703 201 T HN 0.377 nan 8.240 nan 0.000 0.639 202 V N 1.836 121.728 119.914 -0.036 0.000 2.759 202 V HA 0.092 4.211 4.120 -0.000 0.000 0.256 202 V C 2.415 178.183 176.094 -0.542 0.000 1.080 202 V CA 2.478 64.494 62.300 -0.474 0.000 1.101 202 V CB -0.678 31.051 31.823 -0.157 0.000 0.698 202 V HN 0.933 nan 8.190 nan 0.000 0.477 203 A N -0.375 122.356 122.820 -0.147 0.000 2.208 203 A HA -0.018 4.302 4.320 -0.000 0.000 0.209 203 A C 2.056 179.665 177.584 0.042 0.000 1.161 203 A CA 1.324 53.374 52.037 0.023 0.000 0.782 203 A CB -0.557 18.472 19.000 0.048 0.000 0.816 203 A HN 0.687 nan 8.150 nan 0.000 0.477 204 T N -4.554 110.055 114.554 0.092 0.000 3.086 204 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 204 T C 1.303 176.233 174.700 0.383 0.000 1.074 204 T CA -0.042 62.242 62.100 0.307 0.000 0.988 204 T CB -0.520 68.667 68.868 0.531 0.000 0.988 204 T HN 0.305 nan 8.240 nan 0.000 0.530 205 Y N 2.551 122.894 120.300 0.073 0.000 2.207 205 Y HA 0.136 4.686 4.550 -0.000 0.000 0.287 205 Y C 1.805 177.748 175.900 0.072 0.000 1.156 205 Y CA -0.311 57.705 58.100 -0.140 0.000 1.182 205 Y CB -1.012 36.966 38.460 -0.803 0.000 0.979 205 Y HN 0.322 nan 8.280 nan 0.000 0.521 206 S N 0.789 116.663 115.700 0.290 0.000 2.489 206 S HA 0.388 4.858 4.470 -0.000 0.000 0.277 206 S C -0.270 174.484 174.600 0.257 0.000 1.230 206 S CA -0.693 57.701 58.200 0.323 0.000 1.053 206 S CB 0.343 63.624 63.200 0.135 0.000 0.955 206 S HN 0.000 nan 8.310 nan 0.000 0.488 207 K N 2.551 123.101 120.400 0.249 0.000 2.098 207 K HA 0.449 4.769 4.320 -0.000 0.000 0.258 207 K C -0.177 176.419 176.600 -0.008 0.000 0.973 207 K CA -0.347 55.995 56.287 0.091 0.000 0.898 207 K CB 1.086 33.468 32.500 -0.196 0.000 1.057 207 K HN 0.532 nan 8.250 nan 0.000 0.447 208 T N 4.453 118.986 114.554 -0.036 0.000 2.814 208 T HA 0.229 4.579 4.350 -0.000 0.000 0.297 208 T C -2.340 172.174 174.700 -0.310 0.000 0.956 208 T CA -1.196 60.862 62.100 -0.070 0.000 1.123 208 T CB 0.570 69.490 68.868 0.087 0.000 0.902 208 T HN 0.266 nan 8.240 nan 0.000 0.528 209 P HA 0.209 nan 4.420 nan 0.000 0.264 209 P C 1.099 178.298 177.300 -0.169 0.000 1.193 209 P CA 0.774 63.770 63.100 -0.174 0.000 0.763 209 P CB 0.340 32.012 31.700 -0.046 0.000 0.810 210 G N 2.933 111.628 108.800 -0.176 0.000 2.253 210 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.251 210 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.251 210 G C 0.440 175.374 174.900 0.055 0.000 0.998 210 G CA -0.148 44.933 45.100 -0.031 0.000 0.621 210 G HN 0.430 nan 8.290 nan 0.000 0.524 211 F N 0.396 120.387 119.950 0.069 0.000 3.004 211 F HA -0.135 4.391 4.527 -0.000 0.000 0.264 211 F C -0.719 175.045 175.800 -0.060 0.000 0.979 211 F CA 0.506 58.512 58.000 0.010 0.000 0.896 211 F CB -1.933 37.059 39.000 -0.015 0.000 0.813 211 F HN 0.392 nan 8.300 nan 0.000 0.804 212 P HA 0.052 nan 4.420 nan 0.000 0.270 212 P C 0.364 177.730 177.300 0.111 0.000 1.223 212 P CA -0.107 63.049 63.100 0.093 0.000 0.785 212 P CB 0.828 32.580 31.700 0.086 0.000 0.923 213 D N 0.685 121.125 120.400 0.066 0.000 2.400 213 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 213 D C 0.507 176.902 176.300 0.157 0.000 1.157 213 D CA 0.274 54.328 54.000 0.089 0.000 0.889 213 D CB 0.427 41.253 40.800 0.043 0.000 1.199 213 D HN 0.244 nan 8.370 nan 0.000 0.436 214 L N 1.497 122.844 121.223 0.207 0.000 2.397 214 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 214 L C 1.426 178.345 176.870 0.081 0.000 1.148 214 L CA -0.481 54.457 54.840 0.163 0.000 0.825 214 L CB 0.712 42.859 42.059 0.146 0.000 1.117 214 L HN 0.451 nan 8.230 nan 0.000 0.456 215 T N -0.317 114.270 114.554 0.055 0.000 2.766 215 T HA 0.135 4.484 4.350 -0.000 0.000 0.295 215 T C -1.832 172.879 174.700 0.018 0.000 1.024 215 T CA -1.380 60.739 62.100 0.031 0.000 1.018 215 T CB 0.724 69.605 68.868 0.021 0.000 1.002 215 T HN 0.367 nan 8.240 nan 0.000 0.532 216 P HA -0.004 nan 4.420 nan 0.000 0.216 216 P C 1.911 179.210 177.300 -0.002 0.000 1.150 216 P CA 1.953 65.055 63.100 0.003 0.000 0.837 216 P CB -0.310 31.390 31.700 -0.001 0.000 0.786 217 E N 0.312 120.508 120.200 -0.006 0.000 2.028 217 E HA -0.266 4.083 4.350 -0.000 0.000 0.191 217 E C 2.020 178.606 176.600 -0.024 0.000 0.988 217 E CA 1.502 57.893 56.400 -0.016 0.000 0.799 217 E CB -1.710 27.980 29.700 -0.016 0.000 0.755 217 E HN 0.401 nan 8.360 nan 0.000 0.447 218 Q N -1.352 118.437 119.800 -0.019 0.000 2.135 218 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 218 Q C 2.346 178.323 176.000 -0.039 0.000 0.981 218 Q CA 1.820 57.600 55.803 -0.037 0.000 0.856 218 Q CB -0.201 28.527 28.738 -0.016 0.000 0.902 218 Q HN 0.522 nan 8.270 nan 0.000 0.425 219 M N 0.885 120.481 119.600 -0.006 0.000 2.279 219 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 219 M C 1.424 177.753 176.300 0.048 0.000 1.062 219 M CA 1.597 56.909 55.300 0.020 0.000 1.099 219 M CB 0.122 32.730 32.600 0.013 0.000 1.394 219 M HN -0.072 nan 8.290 nan 0.000 0.426 220 K N -0.564 119.838 120.400 0.003 0.000 2.280 220 K HA -0.078 4.241 4.320 -0.000 0.000 0.202 220 K C 0.342 176.909 176.600 -0.054 0.000 1.047 220 K CA 0.910 57.193 56.287 -0.008 0.000 0.942 220 K CB -0.153 32.330 32.500 -0.027 0.000 0.739 220 K HN 0.265 nan 8.250 nan 0.000 0.457 221 N N -0.028 118.606 118.700 -0.111 0.000 2.697 221 N HA 0.020 4.759 4.740 -0.000 0.000 0.253 221 N C 0.192 175.487 175.510 -0.359 0.000 1.604 221 N CA -0.460 52.439 53.050 -0.252 0.000 0.772 221 N CB -0.047 38.322 38.487 -0.196 0.000 1.267 221 N HN -0.035 nan 8.380 nan 0.000 0.510 222 F N 0.320 120.033 119.950 -0.394 0.000 2.269 222 F HA 0.153 4.680 4.527 -0.000 0.000 0.301 222 F C 1.858 177.084 175.800 -0.957 0.000 1.082 222 F CA 0.930 58.502 58.000 -0.713 0.000 1.360 222 F CB -0.724 37.778 39.000 -0.829 0.000 1.041 222 F HN 0.218 nan 8.300 nan 0.000 0.512 223 A N 0.658 122.792 122.820 -1.144 0.000 1.940 223 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 223 A C 2.369 179.646 177.584 -0.511 0.000 1.176 223 A CA 1.919 53.523 52.037 -0.722 0.000 0.631 223 A CB -1.066 17.531 19.000 -0.672 0.000 0.814 223 A HN 0.627 nan 8.150 nan 0.000 0.446 224 E N -0.261 119.682 120.200 -0.428 0.000 2.072 224 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 224 E C 2.134 178.614 176.600 -0.200 0.000 0.985 224 E CA 0.955 57.198 56.400 -0.262 0.000 0.801 224 E CB -0.265 29.318 29.700 -0.195 0.000 0.750 224 E HN 0.540 nan 8.360 nan 0.000 0.452 225 A N 0.358 123.025 122.820 -0.256 0.000 1.933 225 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 225 A C 1.719 179.273 177.584 -0.049 0.000 1.175 225 A CA 1.220 53.164 52.037 -0.154 0.000 0.628 225 A CB -0.787 18.103 19.000 -0.184 0.000 0.814 225 A HN 0.408 nan 8.150 nan 0.000 0.444 226 Y N 1.063 121.211 120.300 -0.253 0.000 2.574 226 Y HA -0.058 4.492 4.550 -0.000 0.000 0.294 226 Y C 2.551 178.403 175.900 -0.080 0.000 1.142 226 Y CA 1.011 58.940 58.100 -0.285 0.000 1.314 226 Y CB -1.278 36.787 38.460 -0.659 0.000 0.991 226 Y HN 0.508 nan 8.280 nan 0.000 0.555 227 T N -3.695 110.897 114.554 0.063 0.000 3.122 227 T HA 0.050 4.399 4.350 -0.000 0.000 0.250 227 T C 0.898 175.644 174.700 0.077 0.000 1.067 227 T CA -0.010 62.135 62.100 0.075 0.000 0.966 227 T CB 0.056 68.945 68.868 0.034 0.000 1.002 227 T HN 0.033 nan 8.240 nan 0.000 0.542 228 Q N 1.678 121.518 119.800 0.067 0.000 2.211 228 Q HA 0.336 4.675 4.340 -0.000 0.000 0.231 228 Q C 0.852 176.883 176.000 0.052 0.000 0.865 228 Q CA -0.289 55.546 55.803 0.053 0.000 0.997 228 Q CB 0.380 29.141 28.738 0.039 0.000 1.101 228 Q HN 0.636 nan 8.270 nan 0.000 0.468 229 G N 2.868 111.706 108.800 0.062 0.000 2.380 229 G HA2 0.124 4.083 3.960 -0.000 0.000 0.242 229 G HA3 0.124 4.083 3.960 -0.000 0.000 0.242 229 G C -1.287 173.606 174.900 -0.011 0.000 1.298 229 G CA -0.667 44.464 45.100 0.052 0.000 0.878 229 G HN 0.067 nan 8.290 nan 0.000 0.542 230 P HA -0.062 nan 4.420 nan 0.000 0.226 230 P C 0.605 177.831 177.300 -0.123 0.000 1.153 230 P CA 0.732 63.803 63.100 -0.049 0.000 0.777 230 P CB 0.484 32.169 31.700 -0.025 0.000 0.794 231 N N -0.715 117.857 118.700 -0.213 0.000 2.204 231 N HA 0.049 4.789 4.740 -0.000 0.000 0.219 231 N C 1.469 176.593 175.510 -0.644 0.000 1.151 231 N CA -0.229 52.527 53.050 -0.490 0.000 0.867 231 N CB 0.038 38.066 38.487 -0.765 0.000 1.043 231 N HN 0.057 nan 8.380 nan 0.000 0.516 232 L N 1.592 122.590 121.223 -0.376 0.000 1.971 232 L HA -0.187 4.152 4.340 -0.000 0.000 0.215 232 L C 2.002 178.567 176.870 -0.507 0.000 1.072 232 L CA 2.039 56.637 54.840 -0.402 0.000 0.758 232 L CB -0.635 41.146 42.059 -0.462 0.000 0.889 232 L HN 0.256 nan 8.230 nan 0.000 0.433 233 H N -0.819 118.098 119.070 -0.255 0.000 2.462 233 H HA -0.055 4.501 4.556 -0.000 0.000 0.292 233 H C 2.319 177.563 175.328 -0.139 0.000 1.049 233 H CA 1.244 57.148 56.048 -0.239 0.000 1.334 233 H CB -0.081 29.513 29.762 -0.281 0.000 1.404 233 H HN 0.421 nan 8.280 nan 0.000 0.544 234 R N 0.458 120.896 120.500 -0.105 0.000 2.075 234 R HA -0.153 4.186 4.340 -0.000 0.000 0.232 234 R C 1.582 177.947 176.300 0.107 0.000 1.126 234 R CA 1.216 57.287 56.100 -0.048 0.000 0.963 234 R CB -0.103 30.104 30.300 -0.156 0.000 0.858 234 R HN 0.166 nan 8.270 nan 0.000 0.435 235 Y N 1.045 121.400 120.300 0.093 0.000 2.200 235 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 235 Y C 2.227 178.244 175.900 0.195 0.000 1.137 235 Y CA 0.746 58.970 58.100 0.206 0.000 1.163 235 Y CB -0.675 37.882 38.460 0.162 0.000 0.988 235 Y HN 0.035 nan 8.280 nan 0.000 0.518 236 L N -0.480 120.860 121.223 0.194 0.000 2.083 236 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 236 L C 2.287 179.259 176.870 0.169 0.000 1.083 236 L CA 1.435 56.357 54.840 0.136 0.000 0.752 236 L CB -0.676 41.383 42.059 -0.001 0.000 0.899 236 L HN 0.256 nan 8.230 nan 0.000 0.433 237 Q N -0.318 119.563 119.800 0.134 0.000 2.167 237 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 237 Q C 2.106 178.199 176.000 0.155 0.000 0.970 237 Q CA 1.318 57.188 55.803 0.111 0.000 0.855 237 Q CB -0.004 28.765 28.738 0.050 0.000 0.911 237 Q HN 0.481 nan 8.270 nan 0.000 0.438 238 E N 0.799 121.118 120.200 0.199 0.000 2.072 238 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 238 E C 2.005 178.623 176.600 0.029 0.000 0.985 238 E CA 0.757 57.264 56.400 0.177 0.000 0.801 238 E CB -0.011 29.878 29.700 0.314 0.000 0.750 238 E HN 0.301 nan 8.360 nan 0.000 0.452 239 M N -0.244 119.424 119.600 0.113 0.000 2.159 239 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 239 M C 2.122 178.436 176.300 0.024 0.000 1.063 239 M CA 2.059 57.310 55.300 -0.081 0.000 1.110 239 M CB -0.209 32.620 32.600 0.380 0.000 1.374 239 M HN 0.238 nan 8.290 nan 0.000 0.411 240 H N -0.207 118.933 119.070 0.117 0.000 2.357 240 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 240 H C 2.086 177.426 175.328 0.020 0.000 1.082 240 H CA 2.203 58.356 56.048 0.176 0.000 1.342 240 H CB 0.001 29.843 29.762 0.134 0.000 1.389 240 H HN 0.505 nan 8.280 nan 0.000 0.511 241 E N 0.273 120.585 120.200 0.186 0.000 2.077 241 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 241 E C 1.494 178.087 176.600 -0.012 0.000 0.989 241 E CA 1.072 57.524 56.400 0.086 0.000 0.800 241 E CB 0.168 29.919 29.700 0.085 0.000 0.746 241 E HN 0.379 nan 8.360 nan 0.000 0.452 242 K N -0.137 120.213 120.400 -0.084 0.000 2.314 242 K HA 0.039 4.359 4.320 -0.000 0.000 0.198 242 K C 1.821 178.422 176.600 0.002 0.000 1.045 242 K CA 0.400 56.650 56.287 -0.062 0.000 0.988 242 K CB 0.736 33.045 32.500 -0.318 0.000 0.783 242 K HN 0.111 nan 8.250 nan 0.000 0.484 243 V N -0.891 118.917 119.914 -0.176 0.000 3.668 243 V HA 0.016 4.136 4.120 -0.000 0.000 0.199 243 V C 1.550 177.491 176.094 -0.255 0.000 1.241 243 V CA 0.183 62.356 62.300 -0.212 0.000 1.308 243 V CB -0.494 30.974 31.823 -0.592 0.000 1.411 243 V HN -0.104 nan 8.190 nan 0.000 0.535 244 F N 1.597 121.519 119.950 -0.047 0.000 2.269 244 F HA -0.135 4.392 4.527 -0.000 0.000 0.301 244 F C 2.068 177.703 175.800 -0.276 0.000 1.082 244 F CA 1.735 59.651 58.000 -0.139 0.000 1.360 244 F CB -0.568 38.256 39.000 -0.294 0.000 1.041 244 F HN 0.285 nan 8.300 nan 0.000 0.512 245 D N -1.155 119.019 120.400 -0.378 0.000 2.310 245 D HA -0.155 4.485 4.640 -0.000 0.000 0.212 245 D C 1.701 177.798 176.300 -0.339 0.000 0.965 245 D CA 1.095 54.904 54.000 -0.319 0.000 0.879 245 D CB -0.169 40.444 40.800 -0.311 0.000 0.921 245 D HN 0.278 nan 8.370 nan 0.000 0.510 246 H N -1.721 117.363 119.070 0.023 0.000 2.586 246 H HA 0.177 4.733 4.556 -0.000 0.000 0.273 246 H C -0.275 174.841 175.328 -0.353 0.000 0.997 246 H CA 0.186 56.145 56.048 -0.148 0.000 1.177 246 H CB 0.126 29.743 29.762 -0.242 0.000 1.471 246 H HN 0.193 nan 8.280 nan 0.000 0.538 247 Y N 0.292 120.671 120.300 0.131 0.000 2.698 247 Y HA 0.189 4.739 4.550 -0.000 0.000 0.332 247 Y C 0.381 176.402 175.900 0.201 0.000 1.119 247 Y CA -1.320 56.881 58.100 0.169 0.000 1.109 247 Y CB 1.086 39.659 38.460 0.189 0.000 1.308 247 Y HN -0.067 nan 8.280 nan 0.000 0.499 248 D N -0.621 120.027 120.400 0.414 0.000 2.643 248 D HA 0.389 5.029 4.640 -0.000 0.000 0.244 248 D C -0.301 176.271 176.300 0.453 0.000 1.257 248 D CA -0.289 53.937 54.000 0.377 0.000 0.831 248 D CB -0.256 40.732 40.800 0.313 0.000 1.043 248 D HN 0.546 nan 8.370 nan 0.000 0.488 249 A N 0.064 123.160 122.820 0.460 0.000 2.340 249 A HA 0.522 4.842 4.320 -0.000 0.000 0.268 249 A C 0.037 177.803 177.584 0.303 0.000 1.100 249 A CA -0.729 51.573 52.037 0.440 0.000 0.803 249 A CB 1.199 20.461 19.000 0.437 0.000 1.043 249 A HN 0.243 nan 8.150 nan 0.000 0.488 250 V N 2.467 122.513 119.914 0.220 0.000 2.607 250 V HA 0.609 4.729 4.120 -0.000 0.000 0.289 250 V C 0.474 176.445 176.094 -0.205 0.000 1.053 250 V CA 0.552 62.706 62.300 -0.244 0.000 0.996 250 V CB 1.396 32.840 31.823 -0.632 0.000 0.995 250 V HN 1.204 nan 8.190 nan 0.000 0.476 251 T N 4.172 118.511 114.554 -0.357 0.000 2.856 251 T HA 0.870 5.219 4.350 -0.000 0.000 0.283 251 T C -0.510 174.064 174.700 -0.211 0.000 1.008 251 T CA -0.207 61.754 62.100 -0.232 0.000 0.997 251 T CB 1.677 70.292 68.868 -0.422 0.000 0.992 251 T HN 1.431 nan 8.240 nan 0.000 0.454 252 A N 1.597 124.394 122.820 -0.038 0.000 2.422 252 A HA 0.898 5.218 4.320 -0.000 0.000 0.302 252 A C 0.056 177.720 177.584 0.135 0.000 1.041 252 A CA -0.753 51.240 52.037 -0.074 0.000 0.708 252 A CB 1.526 20.411 19.000 -0.192 0.000 1.257 252 A HN 1.349 nan 8.150 nan 0.000 0.414 253 G N 0.405 109.259 108.800 0.090 0.000 2.379 253 G HA2 0.523 4.483 3.960 -0.000 0.000 0.327 253 G HA3 0.523 4.483 3.960 -0.000 0.000 0.327 253 G C -0.496 174.498 174.900 0.156 0.000 1.145 253 G CA -0.356 44.828 45.100 0.139 0.000 0.905 253 G HN 0.776 nan 8.290 nan 0.000 0.466 254 E N 2.864 123.155 120.200 0.150 0.000 1.941 254 E HA 0.154 4.504 4.350 -0.000 0.000 0.275 254 E C -0.101 176.637 176.600 0.229 0.000 1.113 254 E CA -0.410 56.122 56.400 0.220 0.000 0.878 254 E CB 0.241 30.010 29.700 0.116 0.000 1.070 254 E HN 0.370 nan 8.360 nan 0.000 0.399 255 I N 6.375 127.061 120.570 0.192 0.000 2.204 255 I HA 0.090 4.259 4.170 -0.000 0.000 0.291 255 I C -0.081 176.231 176.117 0.325 0.000 1.153 255 I CA -0.469 60.821 61.300 -0.016 0.000 1.546 255 I CB -0.480 37.285 38.000 -0.393 0.000 1.490 255 I HN 0.440 nan 8.210 nan 0.000 0.697 256 F N 4.110 124.155 119.950 0.159 0.000 2.438 256 F HA 0.560 5.087 4.527 -0.000 0.000 0.356 256 F C 1.220 177.024 175.800 0.006 0.000 1.099 256 F CA -0.111 57.905 58.000 0.028 0.000 1.185 256 F CB 0.789 39.629 39.000 -0.267 0.000 1.115 256 F HN 0.558 nan 8.300 nan 0.000 0.526 257 G N 3.615 112.128 108.800 -0.478 0.000 2.241 257 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 257 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 257 G C 0.253 175.014 174.900 -0.232 0.000 0.998 257 G CA -0.018 44.742 45.100 -0.566 0.000 0.621 257 G HN 1.328 nan 8.290 nan 0.000 0.519 258 A N 1.260 124.014 122.820 -0.109 0.000 2.388 258 A HA 0.689 5.008 4.320 -0.000 0.000 0.257 258 A C -1.635 175.934 177.584 -0.025 0.000 1.095 258 A CA -0.703 51.310 52.037 -0.040 0.000 0.791 258 A CB 0.228 19.227 19.000 -0.001 0.000 1.029 258 A HN 0.200 nan 8.150 nan 0.000 0.489 259 P HA 0.076 nan 4.420 nan 0.000 0.268 259 P C 0.929 178.232 177.300 0.005 0.000 1.205 259 P CA -0.430 62.665 63.100 -0.009 0.000 0.771 259 P CB 0.506 32.205 31.700 -0.002 0.000 0.858 260 L N 4.304 125.520 121.223 -0.011 0.000 2.129 260 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 260 L C 1.690 178.561 176.870 0.002 0.000 1.087 260 L CA 2.225 57.054 54.840 -0.019 0.000 0.757 260 L CB -1.323 40.714 42.059 -0.037 0.000 0.896 260 L HN 0.464 nan 8.230 nan 0.000 0.434 261 N N -1.665 117.040 118.700 0.008 0.000 2.443 261 N HA -0.233 4.507 4.740 -0.000 0.000 0.184 261 N C 1.580 177.113 175.510 0.038 0.000 1.037 261 N CA 1.361 54.420 53.050 0.014 0.000 0.896 261 N CB -0.381 38.109 38.487 0.006 0.000 0.959 261 N HN 0.580 nan 8.380 nan 0.000 0.442 262 Q N -0.352 119.494 119.800 0.077 0.000 2.408 262 Q HA 0.154 4.493 4.340 -0.000 0.000 0.205 262 Q C 1.608 177.769 176.000 0.269 0.000 0.919 262 Q CA 0.081 55.973 55.803 0.149 0.000 0.932 262 Q CB 0.417 29.283 28.738 0.213 0.000 1.058 262 Q HN 0.265 nan 8.270 nan 0.000 0.517 263 V N 1.682 121.710 119.914 0.189 0.000 2.380 263 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 263 V C -0.888 175.348 176.094 0.237 0.000 1.063 263 V CA 1.912 64.334 62.300 0.204 0.000 1.055 263 V CB -1.381 30.448 31.823 0.010 0.000 0.657 263 V HN 0.258 nan 8.190 nan 0.000 0.455 264 P HA -0.137 nan 4.420 nan 0.000 0.219 264 P C 1.806 179.123 177.300 0.028 0.000 1.146 264 P CA 1.279 64.422 63.100 0.072 0.000 0.808 264 P CB -0.088 31.633 31.700 0.034 0.000 0.779 265 L N -3.095 118.100 121.223 -0.048 0.000 2.191 265 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 265 L C 1.896 178.569 176.870 -0.329 0.000 1.103 265 L CA 1.284 55.899 54.840 -0.376 0.000 0.769 265 L CB -0.710 40.843 42.059 -0.845 0.000 0.908 265 L HN -0.022 nan 8.230 nan 0.000 0.438 266 F N -0.329 119.602 119.950 -0.033 0.000 2.387 266 F HA 0.027 4.554 4.527 -0.000 0.000 0.294 266 F C 2.045 177.845 175.800 -0.001 0.000 1.093 266 F CA 0.716 58.744 58.000 0.047 0.000 1.420 266 F CB -0.019 39.014 39.000 0.056 0.000 1.086 266 F HN -0.009 nan 8.300 nan 0.000 0.531 267 I N -4.132 116.554 120.570 0.194 0.000 4.288 267 I HA 0.206 4.375 4.170 -0.000 0.000 0.331 267 I C 0.277 176.470 176.117 0.127 0.000 1.322 267 I CA -0.238 61.141 61.300 0.132 0.000 1.149 267 I CB -0.105 37.965 38.000 0.117 0.000 1.112 267 I HN -0.229 nan 8.210 nan 0.000 0.403 268 D N 3.095 123.552 120.400 0.095 0.000 2.451 268 D HA -0.059 4.580 4.640 -0.000 0.000 0.254 268 D C 1.510 177.859 176.300 0.082 0.000 1.204 268 D CA 0.870 54.934 54.000 0.107 0.000 0.896 268 D CB 1.397 42.219 40.800 0.037 0.000 1.136 268 D HN 0.438 nan 8.370 nan 0.000 0.499 269 S N 4.421 120.213 115.700 0.154 0.000 2.419 269 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 269 S C 1.640 176.247 174.600 0.011 0.000 1.019 269 S CA 0.756 59.031 58.200 0.124 0.000 0.982 269 S CB -0.093 63.233 63.200 0.209 0.000 0.789 269 S HN 0.587 nan 8.310 nan 0.000 0.490 270 R N 0.955 121.412 120.500 -0.071 0.000 2.189 270 R HA 0.182 4.522 4.340 -0.000 0.000 0.218 270 R C 2.348 178.567 176.300 -0.135 0.000 1.074 270 R CA 0.859 56.869 56.100 -0.149 0.000 0.991 270 R CB -0.204 29.920 30.300 -0.293 0.000 0.883 270 R HN 0.440 nan 8.270 nan 0.000 0.457 271 R N 0.940 121.368 120.500 -0.120 0.000 2.299 271 R HA 0.062 4.402 4.340 -0.000 0.000 0.197 271 R C 0.003 176.198 176.300 -0.175 0.000 0.971 271 R CA 0.135 56.155 56.100 -0.133 0.000 1.030 271 R CB 0.069 30.292 30.300 -0.128 0.000 0.932 271 R HN 0.040 nan 8.270 nan 0.000 0.477 272 K N 0.815 121.075 120.400 -0.232 0.000 3.419 272 K HA -0.264 4.056 4.320 -0.000 0.000 0.272 272 K C -0.298 176.032 176.600 -0.450 0.000 0.973 272 K CA 0.729 56.683 56.287 -0.556 0.000 0.749 272 K CB -0.920 31.153 32.500 -0.712 0.000 1.403 272 K HN 0.443 nan 8.250 nan 0.000 0.456 273 E N -0.210 119.915 120.200 -0.127 0.000 3.076 273 E HA 0.332 4.682 4.350 -0.000 0.000 0.279 273 E C 0.326 176.979 176.600 0.089 0.000 0.945 273 E CA -0.467 55.948 56.400 0.026 0.000 1.046 273 E CB 0.401 30.112 29.700 0.019 0.000 2.828 273 E HN 0.144 nan 8.360 nan 0.000 0.582 274 L N 1.341 122.587 121.223 0.038 0.000 2.322 274 L HA 0.297 4.636 4.340 -0.000 0.000 0.269 274 L C 0.366 177.213 176.870 -0.038 0.000 1.012 274 L CA -0.686 54.133 54.840 -0.036 0.000 0.815 274 L CB 1.233 43.277 42.059 -0.025 0.000 1.295 274 L HN 0.224 nan 8.230 nan 0.000 0.438 275 D N 0.531 120.824 120.400 -0.178 0.000 2.201 275 D HA 0.140 4.780 4.640 -0.000 0.000 0.209 275 D C 0.266 176.442 176.300 -0.207 0.000 0.961 275 D CA 1.403 55.224 54.000 -0.298 0.000 0.861 275 D CB 0.466 40.713 40.800 -0.921 0.000 0.997 275 D HN 0.346 nan 8.370 nan 0.000 0.486 276 M N -0.057 119.397 119.600 -0.244 0.000 2.572 276 M HA 0.606 5.086 4.480 -0.000 0.000 0.299 276 M C -1.093 175.077 176.300 -0.216 0.000 1.205 276 M CA -0.975 54.230 55.300 -0.158 0.000 0.876 276 M CB 2.994 35.446 32.600 -0.246 0.000 1.728 276 M HN -0.268 nan 8.290 nan 0.000 0.458 277 A N 1.490 124.160 122.820 -0.249 0.000 2.330 277 A HA 0.858 5.178 4.320 -0.000 0.000 0.327 277 A C -1.608 175.731 177.584 -0.407 0.000 1.155 277 A CA -0.426 51.453 52.037 -0.263 0.000 0.803 277 A CB 0.550 19.437 19.000 -0.189 0.000 1.208 277 A HN 0.675 nan 8.150 nan 0.000 0.477 278 F N 2.023 121.800 119.950 -0.289 0.000 2.361 278 F HA 0.451 4.978 4.527 -0.000 0.000 0.364 278 F C 1.074 176.540 175.800 -0.557 0.000 1.117 278 F CA 0.081 57.871 58.000 -0.349 0.000 1.071 278 F CB 2.041 40.800 39.000 -0.401 0.000 1.188 278 F HN 0.657 nan 8.300 nan 0.000 0.464 279 T N -1.134 113.153 114.554 -0.446 0.000 2.948 279 T HA 0.522 4.872 4.350 -0.000 0.000 0.285 279 T C 0.019 174.096 174.700 -1.038 0.000 1.019 279 T CA -0.452 61.271 62.100 -0.629 0.000 1.013 279 T CB 1.339 70.016 68.868 -0.318 0.000 1.117 279 T HN 0.295 nan 8.240 nan 0.000 0.533 280 F N -0.787 119.216 119.950 0.089 0.000 2.729 280 F HA 0.300 4.827 4.527 -0.000 0.000 0.315 280 F C 1.254 177.082 175.800 0.047 0.000 1.102 280 F CA -0.751 57.316 58.000 0.112 0.000 1.204 280 F CB -0.132 38.982 39.000 0.190 0.000 1.052 280 F HN 0.483 nan 8.300 nan 0.000 0.551 281 D N 0.889 121.297 120.400 0.014 0.000 2.116 281 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 281 D C 2.167 178.470 176.300 0.005 0.000 0.998 281 D CA 1.415 55.421 54.000 0.009 0.000 0.836 281 D CB -0.021 40.741 40.800 -0.063 0.000 0.951 281 D HN 0.176 nan 8.370 nan 0.000 0.449 282 L N 0.122 121.255 121.223 -0.149 0.000 2.049 282 L HA 0.090 4.430 4.340 -0.000 0.000 0.203 282 L C 1.910 178.807 176.870 0.046 0.000 1.074 282 L CA 1.212 55.913 54.840 -0.230 0.000 0.749 282 L CB -0.401 41.325 42.059 -0.555 0.000 0.907 282 L HN 0.072 nan 8.230 nan 0.000 0.439 283 I N -0.698 119.914 120.570 0.069 0.000 2.567 283 I HA -0.182 3.987 4.170 -0.000 0.000 0.257 283 I C 1.184 177.589 176.117 0.480 0.000 1.184 283 I CA 0.838 62.372 61.300 0.390 0.000 1.451 283 I CB -0.109 38.091 38.000 0.334 0.000 1.089 283 I HN 0.261 nan 8.210 nan 0.000 0.441 284 R N -0.405 120.320 120.500 0.374 0.000 2.586 284 R HA 0.041 4.381 4.340 -0.000 0.000 0.336 284 R C 1.180 177.660 176.300 0.300 0.000 1.060 284 R CA -0.129 56.152 56.100 0.301 0.000 1.079 284 R CB -0.417 30.027 30.300 0.240 0.000 1.317 284 R HN 0.492 nan 8.270 nan 0.000 0.568 285 Y N 1.300 121.697 120.300 0.161 0.000 2.403 285 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 285 Y C 0.503 176.465 175.900 0.103 0.000 1.143 285 Y CA 0.791 58.956 58.100 0.108 0.000 1.257 285 Y CB -0.186 38.336 38.460 0.104 0.000 0.984 285 Y HN -0.054 nan 8.280 nan 0.000 0.550 286 D N -0.582 119.689 120.400 -0.216 0.000 2.623 286 D HA 0.180 4.820 4.640 -0.000 0.000 0.252 286 D C -0.213 176.020 176.300 -0.111 0.000 1.294 286 D CA -0.323 53.475 54.000 -0.336 0.000 0.824 286 D CB -0.247 40.263 40.800 -0.482 0.000 1.070 286 D HN 0.166 nan 8.370 nan 0.000 0.487 287 R N 0.861 121.341 120.500 -0.033 0.000 2.407 287 R HA 0.706 5.046 4.340 -0.000 0.000 0.303 287 R C -0.292 175.971 176.300 -0.061 0.000 0.981 287 R CA -0.470 55.609 56.100 -0.036 0.000 0.905 287 R CB 1.168 31.477 30.300 0.015 0.000 1.099 287 R HN 0.057 nan 8.270 nan 0.000 0.459 288 A N 3.603 126.362 122.820 -0.101 0.000 2.346 288 A HA 0.138 4.458 4.320 -0.000 0.000 0.252 288 A C 0.738 178.259 177.584 -0.103 0.000 1.089 288 A CA -0.429 51.528 52.037 -0.133 0.000 0.797 288 A CB 0.145 19.020 19.000 -0.209 0.000 1.047 288 A HN 0.786 nan 8.150 nan 0.000 0.494 289 L N 0.456 121.616 121.223 -0.105 0.000 2.127 289 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 289 L C 1.847 178.696 176.870 -0.034 0.000 1.089 289 L CA 2.599 57.396 54.840 -0.072 0.000 0.757 289 L CB -0.934 41.079 42.059 -0.077 0.000 0.899 289 L HN 0.909 nan 8.230 nan 0.000 0.434 290 D N -1.697 118.655 120.400 -0.080 0.000 2.363 290 D HA -0.149 4.491 4.640 -0.000 0.000 0.226 290 D C 1.124 177.443 176.300 0.031 0.000 1.020 290 D CA 0.183 54.176 54.000 -0.010 0.000 0.892 290 D CB -0.151 40.509 40.800 -0.234 0.000 0.900 290 D HN 0.363 nan 8.370 nan 0.000 0.531 291 R N -1.734 118.758 120.500 -0.013 0.000 3.977 291 R HA -0.150 4.190 4.340 -0.000 0.000 0.428 291 R C 0.275 176.565 176.300 -0.016 0.000 1.079 291 R CA 1.451 57.598 56.100 0.078 0.000 1.269 291 R CB -2.322 28.176 30.300 0.330 0.000 1.856 291 R HN 0.645 nan 8.270 nan 0.000 0.551 292 W N -1.050 119.958 121.300 -0.486 0.000 2.714 292 W HA 0.375 5.035 4.660 -0.000 0.000 0.353 292 W C -0.175 176.021 176.519 -0.537 0.000 0.999 292 W CA -0.302 56.653 57.345 -0.650 0.000 1.629 292 W CB -0.064 28.643 29.460 -1.254 0.000 1.106 292 W HN -0.043 nan 8.180 nan 0.000 0.545 293 H N 1.011 119.760 119.070 -0.536 0.000 2.651 293 H HA 0.564 5.120 4.556 -0.000 0.000 0.353 293 H C -0.218 174.951 175.328 -0.264 0.000 1.178 293 H CA 0.003 55.779 56.048 -0.452 0.000 1.224 293 H CB 2.190 31.581 29.762 -0.619 0.000 1.702 293 H HN -0.359 nan 8.280 nan 0.000 0.550 294 T N 1.875 116.398 114.554 -0.051 0.000 2.918 294 T HA 0.537 4.886 4.350 -0.000 0.000 0.286 294 T C -0.228 174.422 174.700 -0.083 0.000 1.026 294 T CA -0.632 61.427 62.100 -0.069 0.000 1.031 294 T CB 0.752 69.592 68.868 -0.047 0.000 1.046 294 T HN 0.292 nan 8.240 nan 0.000 0.479 295 I N 3.856 124.361 120.570 -0.107 0.000 2.466 295 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 295 I C -2.189 173.853 176.117 -0.125 0.000 1.026 295 I CA -2.659 58.569 61.300 -0.119 0.000 1.078 295 I CB 2.477 40.397 38.000 -0.134 0.000 1.249 295 I HN 0.358 nan 8.210 nan 0.000 0.429 296 P HA 0.224 nan 4.420 nan 0.000 0.268 296 P C -0.951 176.283 177.300 -0.110 0.000 1.204 296 P CA -0.232 62.820 63.100 -0.079 0.000 0.768 296 P CB 0.823 32.497 31.700 -0.043 0.000 0.842 297 R N 0.831 121.260 120.500 -0.118 0.000 2.855 297 R HA 0.684 5.024 4.340 -0.000 0.000 0.266 297 R C 0.331 176.647 176.300 0.027 0.000 1.034 297 R CA -0.533 55.502 56.100 -0.108 0.000 0.944 297 R CB 1.365 31.441 30.300 -0.373 0.000 1.219 297 R HN 0.546 nan 8.270 nan 0.000 0.474 298 T N -2.753 111.850 114.554 0.082 0.000 2.883 298 T HA 0.276 4.625 4.350 -0.000 0.000 0.284 298 T C 0.952 175.707 174.700 0.090 0.000 1.041 298 T CA -0.792 61.350 62.100 0.069 0.000 1.007 298 T CB 0.912 69.789 68.868 0.015 0.000 1.220 298 T HN 0.338 nan 8.240 nan 0.000 0.552 299 L N 1.180 122.362 121.223 -0.068 0.000 2.131 299 L HA 0.174 4.514 4.340 -0.000 0.000 0.210 299 L C 2.676 179.463 176.870 -0.138 0.000 1.092 299 L CA 2.413 57.092 54.840 -0.269 0.000 0.759 299 L CB -1.402 40.373 42.059 -0.473 0.000 0.903 299 L HN 0.895 nan 8.230 nan 0.000 0.435 300 A N -0.674 122.111 122.820 -0.058 0.000 1.902 300 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 300 A C 2.016 179.606 177.584 0.011 0.000 1.181 300 A CA 1.931 53.950 52.037 -0.029 0.000 0.623 300 A CB -0.769 18.225 19.000 -0.010 0.000 0.818 300 A HN 0.570 nan 8.150 nan 0.000 0.443 301 D N -1.211 119.241 120.400 0.086 0.000 2.117 301 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 301 D C 1.690 178.094 176.300 0.173 0.000 0.982 301 D CA 1.258 55.354 54.000 0.161 0.000 0.828 301 D CB -0.419 40.528 40.800 0.244 0.000 0.967 301 D HN 0.487 nan 8.370 nan 0.000 0.464 302 F N 2.761 122.685 119.950 -0.042 0.000 2.046 302 F HA -0.233 4.294 4.527 -0.000 0.000 0.297 302 F C 2.571 178.109 175.800 -0.437 0.000 1.123 302 F CA 1.945 59.696 58.000 -0.415 0.000 1.199 302 F CB -0.036 38.641 39.000 -0.539 0.000 0.972 302 F HN -0.142 nan 8.300 nan 0.000 0.474 303 R N 0.186 120.549 120.500 -0.228 0.000 2.115 303 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 303 R C 1.962 178.150 176.300 -0.185 0.000 1.111 303 R CA 1.644 57.532 56.100 -0.353 0.000 0.976 303 R CB -1.060 29.027 30.300 -0.355 0.000 0.870 303 R HN 0.410 nan 8.270 nan 0.000 0.445 304 Q N 0.643 120.376 119.800 -0.112 0.000 2.119 304 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 304 Q C 1.858 177.799 176.000 -0.098 0.000 0.972 304 Q CA 2.180 57.945 55.803 -0.063 0.000 0.847 304 Q CB 0.036 28.759 28.738 -0.026 0.000 0.903 304 Q HN 0.409 nan 8.270 nan 0.000 0.433 305 T N 1.047 115.514 114.554 -0.145 0.000 2.777 305 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 305 T C 1.811 176.363 174.700 -0.247 0.000 1.040 305 T CA 0.874 62.871 62.100 -0.172 0.000 1.141 305 T CB -0.144 68.614 68.868 -0.184 0.000 0.868 305 T HN 0.205 nan 8.240 nan 0.000 0.444 306 I N 1.134 121.490 120.570 -0.358 0.000 2.264 306 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 306 I C 2.505 178.455 176.117 -0.278 0.000 1.111 306 I CA 1.213 62.287 61.300 -0.376 0.000 1.382 306 I CB -0.298 37.419 38.000 -0.472 0.000 1.060 306 I HN 0.162 nan 8.210 nan 0.000 0.418 307 D N 1.111 121.426 120.400 -0.142 0.000 2.097 307 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 307 D C 2.175 178.437 176.300 -0.063 0.000 0.989 307 D CA 1.410 55.399 54.000 -0.019 0.000 0.827 307 D CB 0.064 40.894 40.800 0.051 0.000 0.966 307 D HN 0.197 nan 8.370 nan 0.000 0.456 308 K N -0.220 120.131 120.400 -0.082 0.000 2.057 308 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 308 K C 2.191 178.731 176.600 -0.101 0.000 1.049 308 K CA 0.875 57.118 56.287 -0.073 0.000 0.931 308 K CB -0.084 32.375 32.500 -0.068 0.000 0.714 308 K HN 0.037 nan 8.250 nan 0.000 0.440 309 V N 1.605 121.430 119.914 -0.149 0.000 2.358 309 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 309 V C 1.979 177.961 176.094 -0.187 0.000 1.047 309 V CA 2.152 64.348 62.300 -0.174 0.000 1.035 309 V CB -0.486 31.201 31.823 -0.225 0.000 0.658 309 V HN 0.372 nan 8.190 nan 0.000 0.452 310 D N 0.351 120.615 120.400 -0.225 0.000 2.117 310 D HA -0.159 4.480 4.640 -0.000 0.000 0.197 310 D C 2.111 178.338 176.300 -0.122 0.000 0.987 310 D CA 1.511 55.370 54.000 -0.235 0.000 0.829 310 D CB -0.160 40.452 40.800 -0.314 0.000 0.961 310 D HN 0.365 nan 8.370 nan 0.000 0.460 311 A N -0.096 122.681 122.820 -0.072 0.000 1.940 311 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 311 A C 2.210 179.776 177.584 -0.030 0.000 1.176 311 A CA 1.090 53.109 52.037 -0.030 0.000 0.631 311 A CB -0.769 18.222 19.000 -0.015 0.000 0.814 311 A HN 0.359 nan 8.150 nan 0.000 0.446 312 I N -0.132 120.409 120.570 -0.048 0.000 2.454 312 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 312 I C 2.601 178.708 176.117 -0.016 0.000 1.156 312 I CA 0.990 62.272 61.300 -0.030 0.000 1.433 312 I CB -0.265 37.709 38.000 -0.043 0.000 1.082 312 I HN 0.314 nan 8.210 nan 0.000 0.432 313 A N -0.096 122.698 122.820 -0.043 0.000 2.067 313 A HA 0.224 4.544 4.320 -0.000 0.000 0.219 313 A C 1.905 179.516 177.584 0.045 0.000 1.158 313 A CA 1.020 53.051 52.037 -0.010 0.000 0.661 313 A CB -1.248 17.701 19.000 -0.084 0.000 0.801 313 A HN 0.538 nan 8.150 nan 0.000 0.452 314 G N -0.558 108.256 108.800 0.023 0.000 2.594 314 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.297 314 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.297 314 G C 0.772 175.683 174.900 0.018 0.000 1.273 314 G CA 0.712 45.832 45.100 0.033 0.000 0.974 314 G HN 0.540 nan 8.290 nan 0.000 0.552 315 E N -1.379 118.801 120.200 -0.033 0.000 2.216 315 E HA 0.136 4.486 4.350 -0.000 0.000 0.192 315 E C 1.846 178.246 176.600 -0.335 0.000 0.973 315 E CA 0.620 56.883 56.400 -0.229 0.000 0.851 315 E CB 0.193 29.629 29.700 -0.441 0.000 0.804 315 E HN 0.591 nan 8.360 nan 0.000 0.477 316 Y N -0.790 119.561 120.300 0.086 0.000 2.467 316 Y HA 0.345 4.894 4.550 -0.000 0.000 0.250 316 Y C 0.899 176.884 175.900 0.142 0.000 1.155 316 Y CA 0.005 58.162 58.100 0.095 0.000 1.249 316 Y CB 1.231 39.727 38.460 0.059 0.000 1.146 316 Y HN -0.038 nan 8.280 nan 0.000 0.524 317 G N -0.908 108.054 108.800 0.269 0.000 2.521 317 G HA2 0.388 4.348 3.960 -0.000 0.000 0.323 317 G HA3 0.388 4.348 3.960 -0.000 0.000 0.323 317 G C -1.681 173.454 174.900 0.392 0.000 1.211 317 G CA -0.511 44.749 45.100 0.267 0.000 0.979 317 G HN 0.199 nan 8.290 nan 0.000 0.490 318 W N 0.613 121.965 121.300 0.087 0.000 3.274 318 W HA 0.376 5.036 4.660 -0.000 0.000 0.327 318 W C -1.442 175.083 176.519 0.010 0.000 1.172 318 W CA -0.705 56.695 57.345 0.092 0.000 1.217 318 W CB 2.168 31.788 29.460 0.267 0.000 1.376 318 W HN 0.389 nan 8.180 nan 0.000 0.507 319 N N 2.063 120.345 118.700 -0.698 0.000 2.430 319 N HA 0.350 5.090 4.740 -0.000 0.000 0.298 319 N C 0.042 175.251 175.510 -0.502 0.000 1.130 319 N CA -0.011 52.731 53.050 -0.513 0.000 0.894 319 N CB 2.157 40.372 38.487 -0.453 0.000 1.209 319 N HN 0.313 nan 8.380 nan 0.000 0.503 320 T N -2.009 112.327 114.554 -0.362 0.000 2.881 320 T HA 0.648 4.998 4.350 -0.000 0.000 0.278 320 T C -0.532 174.161 174.700 -0.012 0.000 0.982 320 T CA -0.496 61.476 62.100 -0.214 0.000 0.989 320 T CB 0.895 69.279 68.868 -0.807 0.000 1.058 320 T HN 0.327 nan 8.240 nan 0.000 0.529 321 F N 2.158 122.167 119.950 0.099 0.000 2.574 321 F HA 0.669 5.195 4.527 -0.000 0.000 0.313 321 F C -1.922 174.075 175.800 0.328 0.000 1.130 321 F CA -1.710 56.313 58.000 0.038 0.000 0.936 321 F CB 1.676 40.639 39.000 -0.062 0.000 1.219 321 F HN 0.816 nan 8.300 nan 0.000 0.445 322 F N 4.373 123.881 119.950 -0.736 0.000 2.678 322 F HA 0.591 5.118 4.527 -0.000 0.000 0.308 322 F C -1.489 174.063 175.800 -0.413 0.000 1.118 322 F CA -1.148 56.708 58.000 -0.241 0.000 0.959 322 F CB 1.266 40.335 39.000 0.115 0.000 1.305 322 F HN 0.344 nan 8.300 nan 0.000 0.443 323 L N 1.416 122.686 121.223 0.079 0.000 2.858 323 L HA 0.608 4.948 4.340 -0.000 0.000 0.251 323 L C 0.442 177.614 176.870 0.505 0.000 1.149 323 L CA 0.217 55.161 54.840 0.172 0.000 0.955 323 L CB 0.823 43.022 42.059 0.233 0.000 1.289 323 L HN 0.994 nan 8.230 nan 0.000 0.542 324 G N 0.122 109.243 108.800 0.534 0.000 2.698 324 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 324 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 324 G C -1.776 173.260 174.900 0.227 0.000 1.437 324 G CA -0.319 45.014 45.100 0.389 0.000 0.852 324 G HN 0.119 nan 8.290 nan 0.000 0.499 325 N N -2.076 116.464 118.700 -0.266 0.000 3.378 325 N HA 0.218 4.957 4.740 -0.000 0.000 0.294 325 N C 0.582 175.417 175.510 -1.126 0.000 1.544 325 N CA -0.390 52.278 53.050 -0.637 0.000 0.872 325 N CB 0.298 38.693 38.487 -0.153 0.000 1.670 325 N HN 0.569 nan 8.380 nan 0.000 0.551 326 H N -1.893 116.651 119.070 -0.877 0.000 2.556 326 H HA 0.244 4.800 4.556 -0.000 0.000 0.268 326 H C -0.774 174.329 175.328 -0.375 0.000 0.996 326 H CA 0.631 56.301 56.048 -0.629 0.000 1.157 326 H CB -0.254 29.308 29.762 -0.333 0.000 1.355 326 H HN 0.526 nan 8.280 nan 0.000 0.597 327 D N 0.200 120.159 120.400 -0.734 0.000 2.479 327 D HA 0.169 4.809 4.640 -0.000 0.000 0.218 327 D C -0.186 175.941 176.300 -0.288 0.000 1.177 327 D CA -0.059 53.611 54.000 -0.550 0.000 0.830 327 D CB 0.585 40.991 40.800 -0.657 0.000 1.014 327 D HN 0.305 nan 8.370 nan 0.000 0.503 328 N N 0.591 119.153 118.700 -0.229 0.000 2.525 328 N HA 0.286 5.026 4.740 -0.000 0.000 0.270 328 N C -2.757 172.696 175.510 -0.094 0.000 1.321 328 N CA -1.127 51.853 53.050 -0.118 0.000 0.797 328 N CB 2.972 41.454 38.487 -0.008 0.000 1.529 328 N HN -0.204 nan 8.380 nan 0.000 0.491 329 P HA 0.081 nan 4.420 nan 0.000 0.271 329 P C -0.308 177.020 177.300 0.047 0.000 1.233 329 P CA -0.205 62.876 63.100 -0.032 0.000 0.789 329 P CB 0.789 32.421 31.700 -0.114 0.000 0.951 330 R N 0.876 121.437 120.500 0.102 0.000 2.522 330 R HA 0.103 4.443 4.340 -0.000 0.000 0.284 330 R C 1.697 178.128 176.300 0.219 0.000 1.032 330 R CA 0.311 56.508 56.100 0.162 0.000 1.049 330 R CB -0.199 30.188 30.300 0.145 0.000 0.956 330 R HN 0.568 nan 8.270 nan 0.000 0.422 331 A N 3.785 126.784 122.820 0.297 0.000 1.884 331 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 331 A C 2.081 179.862 177.584 0.329 0.000 1.197 331 A CA 2.166 54.447 52.037 0.408 0.000 0.637 331 A CB -0.611 18.652 19.000 0.438 0.000 0.827 331 A HN 0.545 nan 8.150 nan 0.000 0.450 332 V N -0.373 119.672 119.914 0.218 0.000 2.515 332 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 332 V C 2.573 178.724 176.094 0.095 0.000 1.058 332 V CA 2.704 65.073 62.300 0.116 0.000 1.064 332 V CB -0.375 31.480 31.823 0.053 0.000 0.675 332 V HN 0.579 nan 8.190 nan 0.000 0.461 333 S N -1.517 114.255 115.700 0.119 0.000 2.387 333 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 333 S C 1.780 176.466 174.600 0.143 0.000 1.026 333 S CA 1.451 59.715 58.200 0.106 0.000 0.972 333 S CB -0.425 62.833 63.200 0.096 0.000 0.814 333 S HN 0.876 nan 8.310 nan 0.000 0.477 334 H N -0.813 118.255 119.070 -0.004 0.000 2.317 334 H HA 0.026 4.581 4.556 -0.000 0.000 0.304 334 H C 1.190 176.428 175.328 -0.151 0.000 1.067 334 H CA 1.380 57.334 56.048 -0.158 0.000 1.352 334 H CB 0.043 29.590 29.762 -0.358 0.000 1.398 334 H HN 0.400 nan 8.280 nan 0.000 0.510 335 F N -0.061 119.959 119.950 0.116 0.000 2.678 335 F HA 0.260 4.786 4.527 -0.000 0.000 0.291 335 F C 1.654 177.545 175.800 0.152 0.000 1.123 335 F CA 0.428 58.475 58.000 0.078 0.000 1.395 335 F CB 0.329 39.368 39.000 0.066 0.000 1.121 335 F HN 0.131 nan 8.300 nan 0.000 0.592 336 G N -1.236 107.687 108.800 0.205 0.000 2.940 336 G HA2 0.261 4.221 3.960 -0.000 0.000 0.164 336 G HA3 0.261 4.221 3.960 -0.000 0.000 0.164 336 G C -1.368 173.509 174.900 -0.039 0.000 1.326 336 G CA -0.136 44.904 45.100 -0.100 0.000 1.020 336 G HN -0.035 nan 8.290 nan 0.000 0.586 337 D N -0.015 120.233 120.400 -0.253 0.000 2.473 337 D HA 0.197 4.837 4.640 -0.000 0.000 0.253 337 D C -0.369 175.917 176.300 -0.023 0.000 1.233 337 D CA -0.475 53.508 54.000 -0.028 0.000 0.908 337 D CB 1.505 42.331 40.800 0.044 0.000 1.170 337 D HN 0.281 nan 8.370 nan 0.000 0.558 338 D N 2.509 122.926 120.400 0.028 0.000 2.328 338 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 338 D C 0.366 176.687 176.300 0.035 0.000 1.066 338 D CA -0.174 53.837 54.000 0.018 0.000 0.861 338 D CB -0.040 40.772 40.800 0.021 0.000 0.912 338 D HN 0.167 nan 8.370 nan 0.000 0.521 339 R N 0.750 121.304 120.500 0.090 0.000 2.679 339 R HA 0.111 4.451 4.340 -0.000 0.000 0.268 339 R C -1.441 174.871 176.300 0.019 0.000 1.044 339 R CA -1.047 55.102 56.100 0.080 0.000 1.105 339 R CB 0.155 30.560 30.300 0.174 0.000 0.989 339 R HN -0.015 nan 8.270 nan 0.000 0.447 340 P HA -0.283 nan 4.420 nan 0.000 0.216 340 P C 0.973 178.185 177.300 -0.146 0.000 1.154 340 P CA 1.413 64.463 63.100 -0.083 0.000 0.865 340 P CB 0.118 31.767 31.700 -0.087 0.000 0.789 341 Q N -1.987 117.662 119.800 -0.252 0.000 2.435 341 Q HA -0.107 4.233 4.340 -0.000 0.000 0.207 341 Q C 1.083 176.714 176.000 -0.615 0.000 0.956 341 Q CA 1.208 56.716 55.803 -0.492 0.000 0.917 341 Q CB -0.843 27.473 28.738 -0.704 0.000 0.997 341 Q HN 0.448 nan 8.270 nan 0.000 0.497 342 W N 0.230 121.493 121.300 -0.061 0.000 2.741 342 W HA 0.388 5.048 4.660 -0.000 0.000 0.317 342 W C 2.197 178.566 176.519 -0.249 0.000 1.029 342 W CA -0.721 56.546 57.345 -0.130 0.000 1.511 342 W CB 0.590 29.993 29.460 -0.095 0.000 1.025 342 W HN 0.008 nan 8.180 nan 0.000 0.554 343 R N 1.734 122.238 120.500 0.006 0.000 2.094 343 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 343 R C 1.457 177.704 176.300 -0.089 0.000 1.137 343 R CA 2.367 58.430 56.100 -0.061 0.000 0.943 343 R CB -0.154 30.123 30.300 -0.038 0.000 0.850 343 R HN 0.231 nan 8.270 nan 0.000 0.433 344 E N -0.330 119.834 120.200 -0.061 0.000 2.072 344 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 344 E C 1.985 178.531 176.600 -0.091 0.000 0.985 344 E CA 1.077 57.446 56.400 -0.051 0.000 0.801 344 E CB -0.111 29.569 29.700 -0.033 0.000 0.750 344 E HN 0.478 nan 8.360 nan 0.000 0.452 345 A N 1.417 124.191 122.820 -0.077 0.000 1.877 345 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 345 A C 2.356 179.808 177.584 -0.220 0.000 1.186 345 A CA 2.090 54.086 52.037 -0.068 0.000 0.620 345 A CB -0.718 18.369 19.000 0.145 0.000 0.822 345 A HN 0.338 nan 8.150 nan 0.000 0.443 346 S N -0.018 115.363 115.700 -0.533 0.000 2.406 346 S HA 0.124 4.593 4.470 -0.000 0.000 0.228 346 S C 2.073 176.386 174.600 -0.478 0.000 1.020 346 S CA 1.189 58.773 58.200 -1.026 0.000 0.965 346 S CB -0.595 61.463 63.200 -1.904 0.000 0.798 346 S HN 0.874 nan 8.310 nan 0.000 0.488 347 A N 2.445 125.120 122.820 -0.241 0.000 1.902 347 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 347 A C 2.260 179.860 177.584 0.026 0.000 1.181 347 A CA 1.543 53.563 52.037 -0.028 0.000 0.623 347 A CB -0.571 18.466 19.000 0.063 0.000 0.818 347 A HN 0.597 nan 8.150 nan 0.000 0.443 348 K N -0.304 120.053 120.400 -0.071 0.000 2.097 348 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 348 K C 2.318 178.885 176.600 -0.054 0.000 1.050 348 K CA 1.008 57.214 56.287 -0.135 0.000 0.938 348 K CB -0.319 31.809 32.500 -0.621 0.000 0.718 348 K HN 0.435 nan 8.250 nan 0.000 0.442 349 A N 1.638 124.412 122.820 -0.077 0.000 1.877 349 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 349 A C 2.119 179.732 177.584 0.049 0.000 1.186 349 A CA 1.302 53.347 52.037 0.013 0.000 0.620 349 A CB -0.684 18.374 19.000 0.097 0.000 0.822 349 A HN 0.161 nan 8.150 nan 0.000 0.443 350 L N -0.926 120.311 121.223 0.024 0.000 2.141 350 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 350 L C 3.042 180.005 176.870 0.155 0.000 1.094 350 L CA 0.867 55.785 54.840 0.131 0.000 0.763 350 L CB -0.569 41.584 42.059 0.158 0.000 0.908 350 L HN 0.459 nan 8.230 nan 0.000 0.437 351 A N -0.234 122.606 122.820 0.034 0.000 1.898 351 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 351 A C 2.371 179.899 177.584 -0.093 0.000 1.181 351 A CA 2.192 54.075 52.037 -0.256 0.000 0.620 351 A CB -0.833 17.653 19.000 -0.858 0.000 0.819 351 A HN 0.342 nan 8.150 nan 0.000 0.442 352 T N -0.236 114.355 114.554 0.063 0.000 2.720 352 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 352 T C 1.883 176.635 174.700 0.086 0.000 1.037 352 T CA 1.608 63.747 62.100 0.065 0.000 1.144 352 T CB -0.426 68.528 68.868 0.142 0.000 0.864 352 T HN 0.156 nan 8.240 nan 0.000 0.444 353 V N 1.549 121.572 119.914 0.182 0.000 2.261 353 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 353 V C 2.802 178.966 176.094 0.115 0.000 1.047 353 V CA 2.157 64.616 62.300 0.264 0.000 1.015 353 V CB -1.213 30.885 31.823 0.458 0.000 0.642 353 V HN 0.523 nan 8.190 nan 0.000 0.446 354 T N 0.496 115.181 114.554 0.218 0.000 2.720 354 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 354 T C 1.641 176.431 174.700 0.150 0.000 1.037 354 T CA 1.548 63.838 62.100 0.318 0.000 1.144 354 T CB -0.314 68.816 68.868 0.436 0.000 0.864 354 T HN 0.310 nan 8.240 nan 0.000 0.444 355 L N 1.398 122.663 121.223 0.070 0.000 2.591 355 L HA 0.128 4.467 4.340 -0.000 0.000 0.228 355 L C 1.856 178.713 176.870 -0.022 0.000 1.133 355 L CA 0.668 55.519 54.840 0.019 0.000 0.880 355 L CB -0.256 41.770 42.059 -0.055 0.000 1.033 355 L HN 0.377 nan 8.230 nan 0.000 0.450 356 T N -5.490 109.055 114.554 -0.015 0.000 3.170 356 T HA 0.210 4.559 4.350 -0.000 0.000 0.288 356 T C 0.621 175.344 174.700 0.039 0.000 0.992 356 T CA -0.508 61.607 62.100 0.025 0.000 0.909 356 T CB 0.297 69.199 68.868 0.056 0.000 1.133 356 T HN -0.081 nan 8.240 nan 0.000 0.530 357 Q N 1.836 121.519 119.800 -0.195 0.000 2.260 357 Q HA 0.353 4.693 4.340 -0.000 0.000 0.242 357 Q C -0.147 175.689 176.000 -0.274 0.000 0.932 357 Q CA -0.407 55.124 55.803 -0.453 0.000 0.891 357 Q CB 1.615 29.660 28.738 -1.155 0.000 1.222 357 Q HN 0.409 nan 8.270 nan 0.000 0.453 358 R N 0.338 120.638 120.500 -0.333 0.000 2.288 358 R HA 0.428 4.768 4.340 -0.000 0.000 0.330 358 R C -0.117 175.906 176.300 -0.462 0.000 1.069 358 R CA 0.604 56.557 56.100 -0.246 0.000 0.941 358 R CB -0.275 29.899 30.300 -0.210 0.000 0.998 358 R HN 0.816 nan 8.270 nan 0.000 0.452 359 G N 1.502 110.067 108.800 -0.391 0.000 2.369 359 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.295 359 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.295 359 G C -1.313 173.667 174.900 0.133 0.000 1.298 359 G CA -0.936 43.787 45.100 -0.628 0.000 0.940 359 G HN 0.371 nan 8.290 nan 0.000 0.536 360 T N 3.632 118.356 114.554 0.284 0.000 2.733 360 T HA 0.618 4.968 4.350 -0.000 0.000 0.294 360 T C -2.294 172.666 174.700 0.433 0.000 0.956 360 T CA -0.684 61.695 62.100 0.465 0.000 0.987 360 T CB 1.753 70.951 68.868 0.550 0.000 0.920 360 T HN 0.505 nan 8.240 nan 0.000 0.470 361 P HA 0.387 nan 4.420 nan 0.000 0.279 361 P C -1.149 176.434 177.300 0.471 0.000 1.239 361 P CA -0.554 62.839 63.100 0.488 0.000 0.789 361 P CB 0.656 32.587 31.700 0.384 0.000 0.933 362 F N 2.273 122.495 119.950 0.454 0.000 2.460 362 F HA 0.435 4.962 4.527 -0.000 0.000 0.341 362 F C 0.575 176.648 175.800 0.455 0.000 1.130 362 F CA -0.695 57.603 58.000 0.497 0.000 0.962 362 F CB 1.291 40.611 39.000 0.535 0.000 1.171 362 F HN 0.101 nan 8.300 nan 0.000 0.436 363 I N 4.563 125.414 120.570 0.469 0.000 2.315 363 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 363 I C -0.498 175.668 176.117 0.081 0.000 1.006 363 I CA -0.694 60.791 61.300 0.307 0.000 1.265 363 I CB 0.885 39.023 38.000 0.230 0.000 1.387 363 I HN 0.389 nan 8.210 nan 0.000 0.475 364 F N 6.666 126.629 119.950 0.022 0.000 2.396 364 F HA 0.218 4.745 4.527 -0.000 0.000 0.343 364 F C 0.672 176.334 175.800 -0.229 0.000 1.104 364 F CA -0.777 57.177 58.000 -0.078 0.000 1.161 364 F CB 0.770 39.821 39.000 0.085 0.000 1.146 364 F HN 0.508 nan 8.300 nan 0.000 0.522 365 Q N 4.493 123.568 119.800 -1.209 0.000 2.308 365 Q HA 0.278 4.617 4.340 -0.000 0.000 0.313 365 Q C 0.794 176.692 176.000 -0.170 0.000 1.075 365 Q CA 0.665 56.122 55.803 -0.577 0.000 0.995 365 Q CB -0.043 28.565 28.738 -0.217 0.000 1.107 365 Q HN 1.180 nan 8.270 nan 0.000 0.380 366 G N 3.086 112.011 108.800 0.209 0.000 2.234 366 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 366 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 366 G C 0.401 175.275 174.900 -0.043 0.000 0.997 366 G CA 0.170 45.220 45.100 -0.084 0.000 0.623 366 G HN 0.690 nan 8.290 nan 0.000 0.514 367 D N 1.259 121.670 120.400 0.017 0.000 2.269 367 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 367 D C 2.392 178.611 176.300 -0.134 0.000 0.963 367 D CA 1.219 55.248 54.000 0.050 0.000 0.864 367 D CB -0.099 40.814 40.800 0.187 0.000 0.936 367 D HN 0.747 nan 8.370 nan 0.000 0.505 368 E N 0.798 120.809 120.200 -0.314 0.000 2.516 368 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 368 E C 1.592 178.196 176.600 0.006 0.000 1.069 368 E CA 0.325 56.387 56.400 -0.563 0.000 0.876 368 E CB -0.235 29.277 29.700 -0.312 0.000 0.843 368 E HN 0.343 nan 8.360 nan 0.000 0.530 369 L N -0.512 120.725 121.223 0.024 0.000 2.638 369 L HA 0.328 4.668 4.340 -0.000 0.000 0.232 369 L C 1.197 178.087 176.870 0.033 0.000 1.099 369 L CA 0.238 55.100 54.840 0.036 0.000 0.883 369 L CB 0.246 42.222 42.059 -0.139 0.000 1.136 369 L HN 0.268 nan 8.230 nan 0.000 0.492 370 G N 1.166 109.998 108.800 0.053 0.000 2.171 370 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.238 370 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.238 370 G C 0.198 175.107 174.900 0.015 0.000 1.039 370 G CA -0.162 44.977 45.100 0.064 0.000 0.759 370 G HN 0.172 nan 8.290 nan 0.000 0.501 371 M N 0.852 120.443 119.600 -0.014 0.000 2.250 371 M HA 0.390 4.870 4.480 -0.000 0.000 0.325 371 M C 1.355 177.670 176.300 0.025 0.000 1.084 371 M CA 1.358 56.639 55.300 -0.032 0.000 1.161 371 M CB 0.499 33.053 32.600 -0.076 0.000 1.481 371 M HN 0.592 nan 8.290 nan 0.000 0.449 372 T N -0.916 113.645 114.554 0.012 0.000 2.883 372 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 372 T C 0.011 174.735 174.700 0.040 0.000 1.041 372 T CA -1.208 60.910 62.100 0.030 0.000 1.007 372 T CB 0.901 69.768 68.868 -0.002 0.000 1.220 372 T HN 0.539 nan 8.240 nan 0.000 0.552 373 N N 0.175 118.905 118.700 0.051 0.000 2.340 373 N HA 0.195 4.934 4.740 -0.000 0.000 0.236 373 N C -1.080 174.426 175.510 -0.007 0.000 1.296 373 N CA -0.148 52.946 53.050 0.074 0.000 0.896 373 N CB -0.134 38.413 38.487 0.099 0.000 1.127 373 N HN 0.706 nan 8.380 nan 0.000 0.442 374 Y N 1.744 121.914 120.300 -0.216 0.000 2.334 374 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 374 Y C -1.944 173.593 175.900 -0.605 0.000 1.130 374 Y CA -2.128 55.666 58.100 -0.510 0.000 1.163 374 Y CB 1.382 39.312 38.460 -0.882 0.000 1.207 374 Y HN 0.434 nan 8.280 nan 0.000 0.471 375 P HA 0.091 nan 4.420 nan 0.000 0.231 375 P C -1.112 175.837 177.300 -0.585 0.000 1.811 375 P CA 0.142 62.828 63.100 -0.691 0.000 1.051 375 P CB -0.860 30.496 31.700 -0.574 0.000 1.951 376 F N 2.216 122.121 119.950 -0.074 0.000 2.572 376 F HA 0.078 4.605 4.527 -0.000 0.000 0.370 376 F C 1.856 177.648 175.800 -0.013 0.000 1.103 376 F CA 0.472 58.451 58.000 -0.036 0.000 1.286 376 F CB 0.511 39.347 39.000 -0.274 0.000 1.105 376 F HN 0.062 nan 8.300 nan 0.000 0.583 377 K N 0.266 120.769 120.400 0.171 0.000 2.399 377 K HA 0.132 4.452 4.320 -0.000 0.000 0.196 377 K C 0.511 177.201 176.600 0.149 0.000 1.117 377 K CA 0.636 56.995 56.287 0.120 0.000 0.965 377 K CB 0.411 32.946 32.500 0.059 0.000 0.983 377 K HN 0.760 nan 8.250 nan 0.000 0.531 378 T N -2.381 112.278 114.554 0.174 0.000 2.883 378 T HA 0.334 4.683 4.350 -0.000 0.000 0.296 378 T C 0.621 175.482 174.700 0.267 0.000 1.117 378 T CA -0.749 61.457 62.100 0.176 0.000 1.006 378 T CB 1.181 70.116 68.868 0.113 0.000 1.191 378 T HN -0.224 nan 8.240 nan 0.000 0.508 379 L N 0.626 121.998 121.223 0.247 0.000 2.362 379 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 379 L C 2.402 179.433 176.870 0.269 0.000 1.134 379 L CA 1.583 56.603 54.840 0.300 0.000 0.807 379 L CB -1.322 40.799 42.059 0.104 0.000 0.927 379 L HN 0.700 nan 8.230 nan 0.000 0.447 380 Q N -0.900 118.987 119.800 0.145 0.000 2.435 380 Q HA -0.076 4.264 4.340 -0.000 0.000 0.207 380 Q C 1.442 177.489 176.000 0.078 0.000 0.956 380 Q CA 0.617 56.469 55.803 0.082 0.000 0.917 380 Q CB -0.178 28.584 28.738 0.039 0.000 0.997 380 Q HN 0.389 nan 8.270 nan 0.000 0.497 381 D N -0.902 119.546 120.400 0.080 0.000 2.363 381 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 381 D C -0.494 175.721 176.300 -0.142 0.000 0.994 381 D CA 0.345 54.334 54.000 -0.018 0.000 0.890 381 D CB 0.123 40.960 40.800 0.062 0.000 0.906 381 D HN 0.153 nan 8.370 nan 0.000 0.530 382 F N 0.103 120.046 119.950 -0.012 0.000 2.399 382 F HA 0.181 4.708 4.527 -0.000 0.000 0.334 382 F C 1.533 177.297 175.800 -0.060 0.000 1.097 382 F CA -0.892 57.039 58.000 -0.115 0.000 1.076 382 F CB 1.536 40.383 39.000 -0.255 0.000 1.162 382 F HN -0.298 nan 8.300 nan 0.000 0.495 383 D N 0.099 120.589 120.400 0.149 0.000 2.323 383 D HA -0.087 4.553 4.640 -0.000 0.000 0.218 383 D C 0.197 176.569 176.300 0.119 0.000 0.973 383 D CA 0.171 54.269 54.000 0.162 0.000 0.890 383 D CB 0.052 41.045 40.800 0.322 0.000 1.011 383 D HN 0.423 nan 8.370 nan 0.000 0.499 384 D N 0.729 121.189 120.400 0.100 0.000 2.581 384 D HA -0.122 4.518 4.640 -0.000 0.000 0.238 384 D C 1.416 177.612 176.300 -0.174 0.000 1.145 384 D CA 0.148 54.131 54.000 -0.028 0.000 0.866 384 D CB 0.375 41.145 40.800 -0.050 0.000 1.151 384 D HN 0.333 nan 8.370 nan 0.000 0.500 385 I N 3.203 123.612 120.570 -0.269 0.000 2.335 385 I HA -0.225 3.944 4.170 -0.000 0.000 0.251 385 I C 1.890 177.665 176.117 -0.571 0.000 1.129 385 I CA 1.239 62.308 61.300 -0.384 0.000 1.402 385 I CB 0.058 37.787 38.000 -0.451 0.000 1.069 385 I HN 0.570 nan 8.210 nan 0.000 0.424 386 E N 0.120 119.874 120.200 -0.744 0.000 2.110 386 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 386 E C 2.144 178.252 176.600 -0.820 0.000 0.988 386 E CA 1.584 57.534 56.400 -0.749 0.000 0.804 386 E CB 0.108 29.477 29.700 -0.551 0.000 0.745 386 E HN 0.456 nan 8.360 nan 0.000 0.458 387 V N 1.226 120.812 119.914 -0.546 0.000 2.427 387 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 387 V C 2.177 178.114 176.094 -0.261 0.000 1.051 387 V CA 1.817 63.863 62.300 -0.423 0.000 1.048 387 V CB -0.363 31.198 31.823 -0.436 0.000 0.666 387 V HN 0.212 nan 8.190 nan 0.000 0.456 388 K N 0.407 120.675 120.400 -0.220 0.000 2.097 388 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 388 K C 2.258 178.845 176.600 -0.022 0.000 1.049 388 K CA 1.363 57.591 56.287 -0.098 0.000 0.933 388 K CB -0.581 31.854 32.500 -0.109 0.000 0.717 388 K HN 0.553 nan 8.250 nan 0.000 0.442 389 G N 0.897 109.620 108.800 -0.128 0.000 2.418 389 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 389 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 389 G C 1.171 176.118 174.900 0.078 0.000 1.158 389 G CA 0.541 45.623 45.100 -0.029 0.000 0.771 389 G HN 0.111 nan 8.290 nan 0.000 0.545 390 F N -0.060 119.917 119.950 0.044 0.000 2.186 390 F HA 0.150 4.677 4.527 -0.000 0.000 0.299 390 F C 2.178 177.969 175.800 -0.016 0.000 1.090 390 F CA -0.269 57.733 58.000 0.002 0.000 1.307 390 F CB -1.043 37.690 39.000 -0.445 0.000 1.019 390 F HN 0.166 nan 8.300 nan 0.000 0.489 391 F N 1.108 121.063 119.950 0.008 0.000 2.102 391 F HA -0.246 4.280 4.527 -0.000 0.000 0.298 391 F C 2.686 178.490 175.800 0.008 0.000 1.105 391 F CA 2.057 60.037 58.000 -0.034 0.000 1.239 391 F CB -0.626 38.333 39.000 -0.069 0.000 0.991 391 F HN 0.049 nan 8.300 nan 0.000 0.474 392 Q N -0.051 119.882 119.800 0.222 0.000 2.050 392 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 392 Q C 1.525 177.518 176.000 -0.012 0.000 0.980 392 Q CA 2.148 58.022 55.803 0.117 0.000 0.840 392 Q CB -0.252 28.555 28.738 0.114 0.000 0.898 392 Q HN 0.348 nan 8.270 nan 0.000 0.424 393 D N -1.227 119.160 120.400 -0.021 0.000 2.289 393 D HA -0.059 4.581 4.640 -0.000 0.000 0.207 393 D C 0.831 176.825 176.300 -0.509 0.000 0.966 393 D CA 0.948 54.799 54.000 -0.248 0.000 0.868 393 D CB 0.181 40.812 40.800 -0.282 0.000 0.943 393 D HN 0.408 nan 8.370 nan 0.000 0.514 394 Y N -0.964 119.321 120.300 -0.025 0.000 2.589 394 Y HA 0.123 4.673 4.550 -0.000 0.000 0.271 394 Y C 2.126 177.929 175.900 -0.162 0.000 1.107 394 Y CA -0.003 58.079 58.100 -0.030 0.000 1.273 394 Y CB 0.267 38.748 38.460 0.035 0.000 1.266 394 Y HN -0.225 nan 8.280 nan 0.000 0.504 395 V N 0.012 119.774 119.914 -0.254 0.000 2.426 395 V HA -0.120 3.999 4.120 -0.000 0.000 0.242 395 V C 1.721 177.566 176.094 -0.415 0.000 1.036 395 V CA 1.607 63.617 62.300 -0.484 0.000 1.044 395 V CB -0.329 30.811 31.823 -1.138 0.000 0.688 395 V HN 0.286 nan 8.190 nan 0.000 0.462 396 E N 0.882 120.827 120.200 -0.425 0.000 2.204 396 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 396 E C 2.068 178.607 176.600 -0.102 0.000 0.990 396 E CA 1.752 58.043 56.400 -0.181 0.000 0.821 396 E CB -0.202 29.466 29.700 -0.053 0.000 0.750 396 E HN 0.786 nan 8.360 nan 0.000 0.477 397 T N -3.147 111.341 114.554 -0.110 0.000 3.129 397 T HA 0.217 4.567 4.350 -0.000 0.000 0.251 397 T C 1.552 176.224 174.700 -0.046 0.000 1.117 397 T CA 0.390 62.446 62.100 -0.074 0.000 1.034 397 T CB 0.498 69.307 68.868 -0.099 0.000 0.968 397 T HN 0.263 nan 8.240 nan 0.000 0.526 398 G N 1.789 110.559 108.800 -0.050 0.000 2.179 398 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 398 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 398 G C 0.840 175.753 174.900 0.021 0.000 0.977 398 G CA 0.505 45.594 45.100 -0.018 0.000 0.641 398 G HN 0.562 nan 8.290 nan 0.000 0.533 399 K N 0.016 120.449 120.400 0.055 0.000 2.217 399 K HA 0.439 4.759 4.320 -0.000 0.000 0.202 399 K C 1.164 177.873 176.600 0.181 0.000 1.051 399 K CA 1.201 57.570 56.287 0.137 0.000 0.952 399 K CB 0.135 32.779 32.500 0.239 0.000 0.736 399 K HN 0.913 nan 8.250 nan 0.000 0.453 400 A N 0.622 123.536 122.820 0.157 0.000 2.606 400 A HA 0.391 4.710 4.320 -0.000 0.000 0.293 400 A C -0.494 177.116 177.584 0.043 0.000 1.082 400 A CA -0.878 51.256 52.037 0.160 0.000 0.685 400 A CB 1.127 20.323 19.000 0.326 0.000 1.284 400 A HN 0.114 nan 8.150 nan 0.000 0.408 401 T N -1.070 113.512 114.554 0.046 0.000 2.874 401 T HA 0.578 4.927 4.350 -0.000 0.000 0.281 401 T C 1.337 176.029 174.700 -0.012 0.000 0.994 401 T CA 0.203 62.308 62.100 0.009 0.000 1.015 401 T CB 1.363 70.254 68.868 0.037 0.000 1.028 401 T HN 1.746 nan 8.240 nan 0.000 0.523 402 A N 0.622 123.445 122.820 0.005 0.000 1.933 402 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 402 A C 2.572 180.194 177.584 0.063 0.000 1.175 402 A CA 1.983 54.059 52.037 0.065 0.000 0.628 402 A CB -1.754 17.365 19.000 0.197 0.000 0.814 402 A HN 1.151 nan 8.150 nan 0.000 0.444 403 E N 0.326 120.565 120.200 0.066 0.000 2.077 403 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 403 E C 1.756 178.399 176.600 0.071 0.000 0.989 403 E CA 1.490 57.933 56.400 0.072 0.000 0.800 403 E CB -0.794 28.947 29.700 0.068 0.000 0.746 403 E HN 0.849 nan 8.360 nan 0.000 0.452 404 E N -0.491 119.757 120.200 0.078 0.000 2.110 404 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 404 E C 2.206 178.885 176.600 0.130 0.000 0.988 404 E CA 1.081 57.557 56.400 0.128 0.000 0.804 404 E CB -0.137 29.670 29.700 0.179 0.000 0.745 404 E HN 0.407 nan 8.360 nan 0.000 0.458 405 L N 1.094 122.300 121.223 -0.029 0.000 2.017 405 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 405 L C 2.205 178.974 176.870 -0.168 0.000 1.073 405 L CA 1.360 56.008 54.840 -0.319 0.000 0.745 405 L CB -0.579 41.209 42.059 -0.452 0.000 0.894 405 L HN 0.141 nan 8.230 nan 0.000 0.432 406 L N -0.860 120.335 121.223 -0.047 0.000 1.989 406 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 406 L C 2.337 179.266 176.870 0.100 0.000 1.071 406 L CA 2.590 57.458 54.840 0.048 0.000 0.749 406 L CB -1.280 40.859 42.059 0.134 0.000 0.890 406 L HN 0.353 nan 8.230 nan 0.000 0.431 407 T N 0.294 114.905 114.554 0.094 0.000 2.665 407 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 407 T C 1.749 176.502 174.700 0.089 0.000 1.035 407 T CA 1.877 64.038 62.100 0.101 0.000 1.151 407 T CB -0.327 68.595 68.868 0.090 0.000 0.862 407 T HN 0.469 nan 8.240 nan 0.000 0.438 408 N N 0.312 119.055 118.700 0.071 0.000 2.220 408 N HA 0.018 4.758 4.740 -0.000 0.000 0.182 408 N C 1.956 177.478 175.510 0.021 0.000 1.023 408 N CA 0.586 53.652 53.050 0.026 0.000 0.856 408 N CB -0.422 38.017 38.487 -0.080 0.000 0.997 408 N HN 0.125 nan 8.380 nan 0.000 0.429 409 V N 2.077 121.984 119.914 -0.013 0.000 2.759 409 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 409 V C 2.252 178.345 176.094 -0.001 0.000 1.080 409 V CA 1.379 63.624 62.300 -0.092 0.000 1.101 409 V CB -0.645 30.980 31.823 -0.329 0.000 0.698 409 V HN 0.241 nan 8.190 nan 0.000 0.477 410 A N -0.339 122.570 122.820 0.148 0.000 1.972 410 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 410 A C 2.004 179.759 177.584 0.285 0.000 1.169 410 A CA 1.838 54.097 52.037 0.372 0.000 0.635 410 A CB -0.388 18.860 19.000 0.413 0.000 0.810 410 A HN 0.590 nan 8.150 nan 0.000 0.446 411 L N -0.738 120.575 121.223 0.149 0.000 2.446 411 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 411 L C 2.293 179.180 176.870 0.028 0.000 1.116 411 L CA 1.357 56.252 54.840 0.091 0.000 0.844 411 L CB -0.185 41.902 42.059 0.047 0.000 0.970 411 L HN 0.596 nan 8.230 nan 0.000 0.457 412 T N -6.053 108.516 114.554 0.025 0.000 2.959 412 T HA 0.078 4.428 4.350 -0.000 0.000 0.254 412 T C 0.963 175.674 174.700 0.019 0.000 1.003 412 T CA -0.104 61.983 62.100 -0.022 0.000 0.950 412 T CB 0.148 69.000 68.868 -0.027 0.000 1.090 412 T HN 0.035 nan 8.240 nan 0.000 0.503 413 S N 1.240 116.976 115.700 0.060 0.000 2.558 413 S HA 0.085 4.555 4.470 -0.000 0.000 0.291 413 S C 1.500 176.134 174.600 0.056 0.000 1.306 413 S CA -0.423 57.811 58.200 0.057 0.000 1.056 413 S CB 0.420 63.664 63.200 0.074 0.000 0.836 413 S HN 0.466 nan 8.310 nan 0.000 0.504 414 R N 2.450 122.953 120.500 0.005 0.000 2.152 414 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 414 R C 1.062 177.369 176.300 0.011 0.000 1.117 414 R CA 1.345 57.414 56.100 -0.051 0.000 0.981 414 R CB -0.253 29.984 30.300 -0.105 0.000 0.870 414 R HN 0.635 nan 8.270 nan 0.000 0.451 415 D N 0.484 120.945 120.400 0.102 0.000 2.263 415 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 415 D C 1.345 177.786 176.300 0.234 0.000 0.971 415 D CA 0.704 54.802 54.000 0.163 0.000 0.867 415 D CB -0.235 40.680 40.800 0.192 0.000 0.929 415 D HN 0.177 nan 8.370 nan 0.000 0.492 416 N N 0.522 119.400 118.700 0.297 0.000 2.205 416 N HA -0.119 4.620 4.740 -0.000 0.000 0.186 416 N C 1.473 177.065 175.510 0.138 0.000 1.015 416 N CA 0.939 54.154 53.050 0.275 0.000 0.862 416 N CB 0.094 38.730 38.487 0.248 0.000 0.986 416 N HN 0.128 nan 8.380 nan 0.000 0.429 417 A N 0.310 123.177 122.820 0.078 0.000 2.238 417 A HA 0.126 4.446 4.320 -0.000 0.000 0.210 417 A C 1.792 179.479 177.584 0.172 0.000 1.179 417 A CA 0.129 52.227 52.037 0.102 0.000 0.827 417 A CB 0.160 19.043 19.000 -0.194 0.000 0.856 417 A HN 0.154 nan 8.150 nan 0.000 0.488 418 R N 0.358 120.894 120.500 0.061 0.000 2.362 418 R HA 0.079 4.419 4.340 -0.000 0.000 0.227 418 R C 0.334 176.648 176.300 0.023 0.000 0.905 418 R CA 0.566 56.715 56.100 0.081 0.000 1.067 418 R CB 0.094 30.479 30.300 0.141 0.000 1.078 418 R HN 0.530 nan 8.270 nan 0.000 0.516 419 T N -0.007 114.487 114.554 -0.099 0.000 2.926 419 T HA 0.198 4.548 4.350 -0.000 0.000 0.307 419 T C -2.392 172.167 174.700 -0.234 0.000 1.059 419 T CA -1.729 60.205 62.100 -0.277 0.000 1.122 419 T CB 1.024 69.730 68.868 -0.270 0.000 0.972 419 T HN -0.193 nan 8.240 nan 0.000 0.545 420 P HA 0.077 nan 4.420 nan 0.000 0.263 420 P C -0.339 176.778 177.300 -0.304 0.000 1.175 420 P CA -0.286 62.431 63.100 -0.639 0.000 0.761 420 P CB 0.058 31.081 31.700 -1.129 0.000 0.794 421 F N 3.331 123.082 119.950 -0.332 0.000 2.607 421 F HA -0.016 4.511 4.527 -0.000 0.000 0.374 421 F C 0.702 176.226 175.800 -0.460 0.000 1.104 421 F CA 0.361 58.139 58.000 -0.370 0.000 1.296 421 F CB 0.328 39.054 39.000 -0.457 0.000 1.085 421 F HN 0.301 nan 8.300 nan 0.000 0.584 422 Q N 6.205 125.522 119.800 -0.804 0.000 2.441 422 Q HA 0.056 4.395 4.340 -0.000 0.000 0.234 422 Q C -0.091 175.639 176.000 -0.451 0.000 1.078 422 Q CA -0.135 55.397 55.803 -0.452 0.000 0.907 422 Q CB 0.439 28.991 28.738 -0.309 0.000 1.269 422 Q HN 0.904 nan 8.270 nan 0.000 0.502 423 W N 1.934 123.270 121.300 0.059 0.000 2.443 423 W HA -0.122 4.537 4.660 -0.000 0.000 0.296 423 W C 0.608 177.125 176.519 -0.004 0.000 1.202 423 W CA 0.864 58.247 57.345 0.063 0.000 1.312 423 W CB 0.460 29.930 29.460 0.016 0.000 1.120 423 W HN 0.640 nan 8.180 nan 0.000 0.536 424 D N -2.753 117.776 120.400 0.216 0.000 3.103 424 D HA 0.014 4.654 4.640 -0.000 0.000 0.337 424 D C -0.472 175.947 176.300 0.198 0.000 1.356 424 D CA -0.274 53.820 54.000 0.156 0.000 0.951 424 D CB -0.129 40.750 40.800 0.133 0.000 1.438 424 D HN -0.123 nan 8.370 nan 0.000 0.562 425 D N -0.941 119.572 120.400 0.189 0.000 2.427 425 D HA 0.176 4.816 4.640 -0.000 0.000 0.224 425 D C 0.217 176.691 176.300 0.290 0.000 1.157 425 D CA -0.259 53.923 54.000 0.304 0.000 0.828 425 D CB -0.354 40.531 40.800 0.143 0.000 0.974 425 D HN 0.418 nan 8.370 nan 0.000 0.498 426 S N -0.387 115.413 115.700 0.166 0.000 2.625 426 S HA 0.572 5.042 4.470 -0.000 0.000 0.262 426 S C 0.787 175.423 174.600 0.061 0.000 1.223 426 S CA -0.534 57.727 58.200 0.101 0.000 0.993 426 S CB 0.551 63.781 63.200 0.050 0.000 1.051 426 S HN 0.356 nan 8.310 nan 0.000 0.562 427 A N 1.149 123.984 122.820 0.024 0.000 2.546 427 A HA 0.275 4.595 4.320 -0.000 0.000 0.243 427 A C 0.782 178.296 177.584 -0.116 0.000 1.063 427 A CA 0.019 52.043 52.037 -0.022 0.000 0.757 427 A CB -1.093 17.906 19.000 -0.002 0.000 0.991 427 A HN 0.983 nan 8.150 nan 0.000 0.503 428 N N 0.586 119.144 118.700 -0.237 0.000 2.725 428 N HA -0.288 4.452 4.740 -0.000 0.000 0.249 428 N C 0.636 175.959 175.510 -0.310 0.000 1.103 428 N CA 1.611 54.510 53.050 -0.251 0.000 0.707 428 N CB -1.764 36.712 38.487 -0.018 0.000 1.043 428 N HN 2.056 nan 8.380 nan 0.000 0.553 429 A N -1.796 120.640 122.820 -0.640 0.000 2.798 429 A HA -0.068 4.252 4.320 -0.000 0.000 0.282 429 A C 1.696 179.306 177.584 0.043 0.000 1.464 429 A CA 2.073 53.902 52.037 -0.347 0.000 0.844 429 A CB -1.891 16.908 19.000 -0.335 0.000 1.006 429 A HN 2.025 nan 8.150 nan 0.000 0.577 430 G N -3.168 105.665 108.800 0.054 0.000 2.168 430 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 430 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 430 G C 0.688 175.712 174.900 0.207 0.000 0.977 430 G CA 1.238 46.410 45.100 0.120 0.000 0.659 430 G HN 1.959 nan 8.290 nan 0.000 0.533 431 F N 1.160 121.194 119.950 0.140 0.000 2.234 431 F HA 0.416 4.942 4.527 -0.000 0.000 0.296 431 F C 1.174 177.011 175.800 0.062 0.000 1.089 431 F CA 2.122 60.239 58.000 0.196 0.000 1.343 431 F CB 0.354 39.451 39.000 0.162 0.000 1.040 431 F HN 0.335 nan 8.300 nan 0.000 0.498 432 T N -1.580 112.886 114.554 -0.146 0.000 2.853 432 T HA 0.311 4.661 4.350 -0.000 0.000 0.311 432 T C 0.538 175.177 174.700 -0.102 0.000 1.307 432 T CA 0.036 61.977 62.100 -0.264 0.000 1.019 432 T CB 1.342 70.049 68.868 -0.268 0.000 1.264 432 T HN 0.118 nan 8.240 nan 0.000 0.497 433 T N -0.347 114.145 114.554 -0.104 0.000 3.060 433 T HA 0.416 4.766 4.350 -0.000 0.000 0.249 433 T C 1.108 175.787 174.700 -0.036 0.000 1.079 433 T CA 0.521 62.585 62.100 -0.060 0.000 1.013 433 T CB 0.094 68.924 68.868 -0.064 0.000 0.975 433 T HN 0.698 nan 8.240 nan 0.000 0.518 434 G N 0.713 109.494 108.800 -0.032 0.000 3.019 434 G HA2 0.505 4.464 3.960 -0.000 0.000 0.152 434 G HA3 0.505 4.464 3.960 -0.000 0.000 0.152 434 G C -1.050 173.866 174.900 0.026 0.000 1.320 434 G CA -0.969 44.130 45.100 -0.003 0.000 1.013 434 G HN 0.393 nan 8.290 nan 0.000 0.593 435 K N 1.266 121.695 120.400 0.048 0.000 2.263 435 K HA 0.420 4.740 4.320 -0.000 0.000 0.272 435 K C -2.510 174.164 176.600 0.123 0.000 1.033 435 K CA -1.595 54.731 56.287 0.065 0.000 0.884 435 K CB 1.512 34.043 32.500 0.051 0.000 1.107 435 K HN 0.029 nan 8.250 nan 0.000 0.460 436 P HA -0.101 nan 4.420 nan 0.000 0.266 436 P C 0.539 177.931 177.300 0.154 0.000 1.195 436 P CA -0.206 63.033 63.100 0.231 0.000 0.768 436 P CB 0.226 31.976 31.700 0.084 0.000 0.838 437 W N 4.198 125.592 121.300 0.156 0.000 2.392 437 W HA 0.031 4.691 4.660 -0.000 0.000 0.279 437 W C -0.796 175.745 176.519 0.037 0.000 1.225 437 W CA 0.427 57.828 57.345 0.092 0.000 1.233 437 W CB -0.603 28.930 29.460 0.120 0.000 1.122 437 W HN 0.172 nan 8.180 nan 0.000 0.561 438 L N 1.764 122.423 121.223 -0.941 0.000 2.431 438 L HA 0.430 4.770 4.340 -0.000 0.000 0.266 438 L C -0.074 176.404 176.870 -0.653 0.000 0.978 438 L CA -1.411 52.833 54.840 -0.993 0.000 0.822 438 L CB 1.834 42.889 42.059 -1.674 0.000 1.310 438 L HN -0.241 nan 8.230 nan 0.000 0.409 439 K N 2.529 122.617 120.400 -0.520 0.000 2.489 439 K HA 0.228 4.548 4.320 -0.000 0.000 0.278 439 K C -0.662 175.716 176.600 -0.370 0.000 1.000 439 K CA -0.194 55.872 56.287 -0.368 0.000 1.012 439 K CB 0.591 32.931 32.500 -0.267 0.000 0.903 439 K HN 0.424 nan 8.250 nan 0.000 0.485 440 V N 3.572 123.380 119.914 -0.176 0.000 2.686 440 V HA -0.038 4.082 4.120 -0.000 0.000 0.295 440 V C 0.716 176.872 176.094 0.103 0.000 1.055 440 V CA -0.638 61.592 62.300 -0.117 0.000 1.050 440 V CB 1.026 32.751 31.823 -0.164 0.000 0.984 440 V HN 0.746 nan 8.190 nan 0.000 0.482 441 N N 5.602 124.386 118.700 0.141 0.000 2.447 441 N HA 0.070 4.810 4.740 -0.000 0.000 0.263 441 N C -1.727 173.876 175.510 0.155 0.000 1.226 441 N CA -1.235 51.917 53.050 0.170 0.000 0.906 441 N CB 1.666 40.196 38.487 0.072 0.000 1.060 441 N HN 0.310 nan 8.380 nan 0.000 0.468 442 P HA -0.108 nan 4.420 nan 0.000 0.221 442 P C 0.444 177.688 177.300 -0.093 0.000 1.145 442 P CA 1.008 64.127 63.100 0.031 0.000 0.795 442 P CB 0.057 31.710 31.700 -0.079 0.000 0.775 443 N N -0.503 118.148 118.700 -0.082 0.000 2.575 443 N HA -0.181 4.559 4.740 -0.000 0.000 0.192 443 N C 1.289 176.732 175.510 -0.112 0.000 1.200 443 N CA 0.294 53.270 53.050 -0.124 0.000 0.897 443 N CB -1.672 36.754 38.487 -0.102 0.000 0.990 443 N HN 0.336 nan 8.380 nan 0.000 0.449 444 Y N -0.191 120.059 120.300 -0.082 0.000 2.403 444 Y HA -0.063 4.486 4.550 -0.000 0.000 0.291 444 Y C 2.081 177.943 175.900 -0.063 0.000 1.143 444 Y CA 1.126 59.176 58.100 -0.084 0.000 1.257 444 Y CB -1.297 37.121 38.460 -0.070 0.000 0.984 444 Y HN 0.136 nan 8.280 nan 0.000 0.550 445 T N -2.310 111.805 114.554 -0.732 0.000 2.881 445 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 445 T C 1.121 175.690 174.700 -0.218 0.000 1.068 445 T CA 1.684 63.471 62.100 -0.522 0.000 1.131 445 T CB -0.233 68.321 68.868 -0.524 0.000 0.871 445 T HN 0.465 nan 8.240 nan 0.000 0.479 446 E N 0.121 120.217 120.200 -0.172 0.000 2.465 446 E HA 0.418 4.767 4.350 -0.000 0.000 0.209 446 E C 0.160 176.719 176.600 -0.068 0.000 0.951 446 E CA 0.059 56.398 56.400 -0.103 0.000 0.997 446 E CB 0.627 30.267 29.700 -0.099 0.000 1.025 446 E HN 0.548 nan 8.360 nan 0.000 0.500 447 I N 2.595 123.125 120.570 -0.067 0.000 2.428 447 I HA 0.317 4.486 4.170 -0.000 0.000 0.279 447 I C -1.032 175.042 176.117 -0.071 0.000 1.040 447 I CA -0.795 60.468 61.300 -0.062 0.000 1.171 447 I CB 0.509 38.465 38.000 -0.073 0.000 1.312 447 I HN 0.030 nan 8.210 nan 0.000 0.470 448 N N 3.775 122.435 118.700 -0.067 0.000 2.598 448 N HA 0.488 5.227 4.740 -0.000 0.000 0.263 448 N C 0.110 175.576 175.510 -0.073 0.000 1.254 448 N CA -0.690 52.308 53.050 -0.087 0.000 0.863 448 N CB 1.506 40.004 38.487 0.019 0.000 1.586 448 N HN 0.265 nan 8.380 nan 0.000 0.491 449 A N 1.144 123.901 122.820 -0.105 0.000 1.908 449 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 449 A C 2.156 179.731 177.584 -0.015 0.000 1.181 449 A CA 2.220 54.230 52.037 -0.045 0.000 0.627 449 A CB -1.455 17.526 19.000 -0.031 0.000 0.818 449 A HN 0.946 nan 8.150 nan 0.000 0.445 450 A N -0.562 122.279 122.820 0.036 0.000 1.883 450 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 450 A C 2.306 179.896 177.584 0.010 0.000 1.186 450 A CA 1.757 53.813 52.037 0.032 0.000 0.624 450 A CB -0.521 18.512 19.000 0.056 0.000 0.822 450 A HN 0.513 nan 8.150 nan 0.000 0.444 451 R N -0.561 119.947 120.500 0.012 0.000 2.075 451 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 451 R C 1.937 178.247 176.300 0.017 0.000 1.126 451 R CA 1.435 57.542 56.100 0.013 0.000 0.963 451 R CB -0.224 30.082 30.300 0.010 0.000 0.858 451 R HN 0.544 nan 8.270 nan 0.000 0.435 452 E N 0.634 120.840 120.200 0.011 0.000 2.077 452 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 452 E C 2.098 178.707 176.600 0.016 0.000 0.989 452 E CA 1.175 57.607 56.400 0.052 0.000 0.800 452 E CB -0.220 29.536 29.700 0.093 0.000 0.746 452 E HN 0.435 nan 8.360 nan 0.000 0.452 453 I N 0.674 121.140 120.570 -0.174 0.000 2.286 453 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 453 I C 2.306 178.431 176.117 0.013 0.000 1.115 453 I CA 1.305 62.461 61.300 -0.240 0.000 1.392 453 I CB -0.354 37.489 38.000 -0.261 0.000 1.065 453 I HN 0.073 nan 8.210 nan 0.000 0.418 454 G N -0.522 108.292 108.800 0.023 0.000 2.920 454 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.208 454 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.208 454 G C 0.126 175.068 174.900 0.070 0.000 1.159 454 G CA 0.064 45.194 45.100 0.050 0.000 0.784 454 G HN 0.228 nan 8.290 nan 0.000 0.535 455 D N -0.173 120.282 120.400 0.092 0.000 2.440 455 D HA 0.285 4.925 4.640 -0.000 0.000 0.239 455 D C -1.379 175.005 176.300 0.140 0.000 1.084 455 D CA -2.471 51.588 54.000 0.099 0.000 0.843 455 D CB 2.345 43.196 40.800 0.085 0.000 1.097 455 D HN -0.067 nan 8.370 nan 0.000 0.531 456 P HA -0.106 nan 4.420 nan 0.000 0.225 456 P C 0.418 177.803 177.300 0.143 0.000 1.148 456 P CA 0.792 63.973 63.100 0.136 0.000 0.779 456 P CB 0.408 32.170 31.700 0.103 0.000 0.780 457 K N 0.036 120.508 120.400 0.120 0.000 2.387 457 K HA 0.111 4.431 4.320 -0.000 0.000 0.198 457 K C 1.131 177.801 176.600 0.117 0.000 1.022 457 K CA -0.096 56.254 56.287 0.106 0.000 1.128 457 K CB 0.185 32.724 32.500 0.065 0.000 0.853 457 K HN 0.194 nan 8.250 nan 0.000 0.523 458 S N -0.640 115.156 115.700 0.161 0.000 2.608 458 S HA 0.069 4.539 4.470 -0.000 0.000 0.261 458 S C 1.537 176.281 174.600 0.240 0.000 1.314 458 S CA -0.841 57.468 58.200 0.182 0.000 0.992 458 S CB 1.292 64.623 63.200 0.219 0.000 0.935 458 S HN -0.120 nan 8.310 nan 0.000 0.564 459 V N 1.137 121.194 119.914 0.239 0.000 2.343 459 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 459 V C 2.053 178.419 176.094 0.454 0.000 1.051 459 V CA 2.216 64.708 62.300 0.319 0.000 1.036 459 V CB -1.474 30.511 31.823 0.269 0.000 0.654 459 V HN 0.932 nan 8.190 nan 0.000 0.451 460 Y N 1.520 121.984 120.300 0.273 0.000 2.128 460 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 460 Y C 2.692 178.758 175.900 0.277 0.000 1.154 460 Y CA 2.087 60.347 58.100 0.267 0.000 1.149 460 Y CB -0.448 38.142 38.460 0.217 0.000 0.976 460 Y HN 0.213 nan 8.280 nan 0.000 0.505 461 S N 0.201 116.099 115.700 0.329 0.000 2.399 461 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 461 S C 1.708 176.380 174.600 0.120 0.000 1.022 461 S CA 1.265 59.577 58.200 0.185 0.000 0.983 461 S CB -0.765 62.601 63.200 0.276 0.000 0.803 461 S HN 0.568 nan 8.310 nan 0.000 0.480 462 F N 1.129 121.118 119.950 0.067 0.000 2.113 462 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 462 F C 1.939 177.726 175.800 -0.021 0.000 1.103 462 F CA 0.957 58.967 58.000 0.017 0.000 1.248 462 F CB -0.579 38.433 39.000 0.020 0.000 0.999 462 F HN 0.135 nan 8.300 nan 0.000 0.475 463 Y N 0.293 120.576 120.300 -0.029 0.000 2.128 463 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 463 Y C 2.841 178.600 175.900 -0.235 0.000 1.154 463 Y CA 2.296 60.327 58.100 -0.116 0.000 1.149 463 Y CB -0.629 37.813 38.460 -0.030 0.000 0.976 463 Y HN -0.023 nan 8.280 nan 0.000 0.505 464 R N 0.515 120.923 120.500 -0.152 0.000 2.091 464 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 464 R C 1.775 177.977 176.300 -0.163 0.000 1.136 464 R CA 2.200 58.170 56.100 -0.217 0.000 0.959 464 R CB -0.441 29.649 30.300 -0.351 0.000 0.856 464 R HN 0.480 nan 8.270 nan 0.000 0.437 465 N N -0.204 118.383 118.700 -0.188 0.000 2.188 465 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 465 N C 1.761 177.101 175.510 -0.282 0.000 1.018 465 N CA 1.027 53.957 53.050 -0.200 0.000 0.858 465 N CB -0.012 38.359 38.487 -0.193 0.000 0.989 465 N HN 0.180 nan 8.380 nan 0.000 0.426 466 L N 0.829 121.803 121.223 -0.414 0.000 2.056 466 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 466 L C 2.090 178.796 176.870 -0.273 0.000 1.078 466 L CA 0.923 55.519 54.840 -0.406 0.000 0.749 466 L CB -0.313 41.444 42.059 -0.505 0.000 0.901 466 L HN 0.206 nan 8.230 nan 0.000 0.433 467 I N -1.019 119.414 120.570 -0.228 0.000 2.208 467 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 467 I C 2.824 178.743 176.117 -0.330 0.000 1.097 467 I CA 1.453 62.587 61.300 -0.277 0.000 1.363 467 I CB -0.299 37.597 38.000 -0.173 0.000 1.051 467 I HN 0.239 nan 8.210 nan 0.000 0.413 468 S N 1.033 116.642 115.700 -0.151 0.000 2.368 468 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 468 S C 2.073 176.640 174.600 -0.055 0.000 1.029 468 S CA 1.158 59.339 58.200 -0.032 0.000 0.988 468 S CB -0.273 62.916 63.200 -0.018 0.000 0.838 468 S HN 0.327 nan 8.310 nan 0.000 0.462 469 I N 1.171 121.667 120.570 -0.123 0.000 2.226 469 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 469 I C 2.851 178.884 176.117 -0.140 0.000 1.100 469 I CA 1.450 62.672 61.300 -0.129 0.000 1.374 469 I CB -0.360 37.536 38.000 -0.173 0.000 1.057 469 I HN 0.333 nan 8.210 nan 0.000 0.413 470 R N 0.119 120.512 120.500 -0.178 0.000 2.081 470 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 470 R C 2.471 178.732 176.300 -0.065 0.000 1.131 470 R CA 1.569 57.575 56.100 -0.158 0.000 0.960 470 R CB -0.266 29.923 30.300 -0.186 0.000 0.856 470 R HN 0.383 nan 8.270 nan 0.000 0.436 471 H N 0.473 119.520 119.070 -0.038 0.000 2.422 471 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 471 H C 1.178 176.487 175.328 -0.031 0.000 1.098 471 H CA 1.570 57.606 56.048 -0.020 0.000 1.315 471 H CB 0.085 29.838 29.762 -0.014 0.000 1.382 471 H HN 0.491 nan 8.280 nan 0.000 0.523 472 E N -0.044 120.199 120.200 0.071 0.000 2.474 472 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 472 E C -0.132 176.453 176.600 -0.024 0.000 1.039 472 E CA 0.132 56.544 56.400 0.020 0.000 0.881 472 E CB 0.611 30.317 29.700 0.009 0.000 0.970 472 E HN 0.084 nan 8.360 nan 0.000 0.486 473 T N 1.971 116.482 114.554 -0.071 0.000 3.064 473 T HA 0.160 4.510 4.350 -0.000 0.000 0.367 473 T C -2.215 172.416 174.700 -0.115 0.000 1.202 473 T CA -1.517 60.488 62.100 -0.159 0.000 1.133 473 T CB 1.510 70.148 68.868 -0.383 0.000 1.074 473 T HN -0.157 nan 8.240 nan 0.000 0.519 474 P HA -0.194 nan 4.420 nan 0.000 0.216 474 P C 1.649 178.953 177.300 0.007 0.000 1.154 474 P CA 1.016 64.115 63.100 -0.002 0.000 0.865 474 P CB 0.153 31.863 31.700 0.017 0.000 0.789 475 A N -0.894 121.931 122.820 0.008 0.000 2.024 475 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 475 A C 2.054 179.655 177.584 0.028 0.000 1.164 475 A CA 1.322 53.394 52.037 0.059 0.000 0.643 475 A CB -1.565 17.544 19.000 0.182 0.000 0.806 475 A HN 0.175 nan 8.150 nan 0.000 0.451 476 L N 0.048 121.229 121.223 -0.070 0.000 2.478 476 L HA -0.073 4.267 4.340 -0.000 0.000 0.223 476 L C 2.468 179.359 176.870 0.034 0.000 1.140 476 L CA 1.045 55.856 54.840 -0.048 0.000 0.842 476 L CB -0.210 41.758 42.059 -0.151 0.000 0.953 476 L HN 0.631 nan 8.230 nan 0.000 0.452 477 S N -2.154 113.591 115.700 0.075 0.000 2.811 477 S HA -0.045 4.425 4.470 -0.000 0.000 0.237 477 S C 1.700 176.460 174.600 0.268 0.000 1.038 477 S CA 0.520 58.818 58.200 0.164 0.000 0.881 477 S CB -0.305 62.985 63.200 0.151 0.000 0.815 477 S HN 0.318 nan 8.310 nan 0.000 0.582 478 T N 0.051 114.717 114.554 0.187 0.000 3.086 478 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 478 T C 0.974 175.783 174.700 0.181 0.000 1.074 478 T CA 0.147 62.376 62.100 0.215 0.000 0.988 478 T CB -0.251 68.629 68.868 0.021 0.000 0.988 478 T HN 0.509 nan 8.240 nan 0.000 0.530 479 G N 1.998 110.887 108.800 0.149 0.000 2.667 479 G HA2 0.422 4.382 3.960 -0.000 0.000 0.250 479 G HA3 0.422 4.382 3.960 -0.000 0.000 0.250 479 G C 0.229 175.218 174.900 0.147 0.000 1.212 479 G CA -0.243 44.937 45.100 0.132 0.000 0.874 479 G HN 0.578 nan 8.290 nan 0.000 0.561 480 S N -1.040 114.733 115.700 0.123 0.000 2.596 480 S HA 0.324 4.794 4.470 -0.000 0.000 0.260 480 S C -0.605 174.097 174.600 0.169 0.000 1.336 480 S CA -0.268 58.005 58.200 0.122 0.000 0.993 480 S CB 0.877 64.124 63.200 0.079 0.000 0.923 480 S HN 0.753 nan 8.310 nan 0.000 0.567 481 Y N 0.554 120.865 120.300 0.017 0.000 2.391 481 Y HA 0.636 5.185 4.550 -0.000 0.000 0.341 481 Y C -0.341 175.568 175.900 0.016 0.000 0.965 481 Y CA -1.022 57.084 58.100 0.009 0.000 1.067 481 Y CB 1.528 39.947 38.460 -0.070 0.000 1.199 481 Y HN 0.922 nan 8.280 nan 0.000 0.450 482 R N 5.041 125.150 120.500 -0.652 0.000 2.510 482 R HA 0.211 4.550 4.340 -0.000 0.000 0.294 482 R C -1.895 174.062 176.300 -0.573 0.000 1.056 482 R CA -0.645 55.159 56.100 -0.495 0.000 0.918 482 R CB 1.014 31.206 30.300 -0.181 0.000 1.187 482 R HN 0.797 nan 8.270 nan 0.000 0.437 483 D N 5.134 125.257 120.400 -0.462 0.000 2.343 483 D HA 0.076 4.716 4.640 -0.000 0.000 0.255 483 D C 1.259 177.543 176.300 -0.027 0.000 1.187 483 D CA -0.080 53.827 54.000 -0.154 0.000 0.875 483 D CB 0.991 41.816 40.800 0.042 0.000 1.136 483 D HN 0.631 nan 8.370 nan 0.000 0.469 484 I N 2.011 122.604 120.570 0.039 0.000 2.394 484 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 484 I C 0.576 176.744 176.117 0.085 0.000 1.136 484 I CA 0.955 62.298 61.300 0.071 0.000 1.425 484 I CB 0.116 38.208 38.000 0.152 0.000 1.079 484 I HN 0.336 nan 8.210 nan 0.000 0.425 485 D N -0.824 119.644 120.400 0.113 0.000 2.445 485 D HA 0.158 4.798 4.640 -0.000 0.000 0.236 485 D C -2.126 174.228 176.300 0.091 0.000 1.315 485 D CA -1.506 52.548 54.000 0.091 0.000 0.924 485 D CB 1.072 41.933 40.800 0.101 0.000 1.447 485 D HN -0.206 nan 8.370 nan 0.000 0.532 486 P HA -0.111 nan 4.420 nan 0.000 0.223 486 P C 1.144 178.461 177.300 0.028 0.000 1.144 486 P CA 0.999 64.130 63.100 0.051 0.000 0.783 486 P CB 0.281 32.002 31.700 0.035 0.000 0.771 487 S N -3.058 112.659 115.700 0.028 0.000 2.524 487 S HA 0.023 4.493 4.470 -0.000 0.000 0.216 487 S C 1.052 175.660 174.600 0.014 0.000 0.987 487 S CA -0.272 57.937 58.200 0.015 0.000 0.909 487 S CB -0.878 62.328 63.200 0.011 0.000 0.781 487 S HN -0.003 nan 8.310 nan 0.000 0.521 488 N N 2.117 120.836 118.700 0.032 0.000 2.452 488 N HA 0.278 5.018 4.740 -0.000 0.000 0.266 488 N C 0.352 175.861 175.510 -0.002 0.000 1.175 488 N CA 0.539 53.608 53.050 0.033 0.000 0.945 488 N CB 1.204 39.739 38.487 0.080 0.000 1.063 488 N HN 0.390 nan 8.380 nan 0.000 0.472 489 A N 3.110 125.919 122.820 -0.018 0.000 2.387 489 A HA 0.151 4.471 4.320 -0.000 0.000 0.234 489 A C 0.665 178.209 177.584 -0.067 0.000 1.253 489 A CA -0.048 51.957 52.037 -0.053 0.000 0.894 489 A CB 0.318 19.297 19.000 -0.036 0.000 0.963 489 A HN 0.605 nan 8.150 nan 0.000 0.508 490 D N -1.203 119.175 120.400 -0.037 0.000 2.856 490 D HA 0.199 4.839 4.640 -0.000 0.000 0.283 490 D C 0.003 176.299 176.300 -0.006 0.000 1.051 490 D CA 0.818 54.795 54.000 -0.039 0.000 0.965 490 D CB 0.468 41.254 40.800 -0.024 0.000 1.201 490 D HN 0.060 nan 8.370 nan 0.000 0.474 491 V N 1.814 121.755 119.914 0.046 0.000 2.444 491 V HA 0.203 4.322 4.120 -0.000 0.000 0.294 491 V C -1.089 175.094 176.094 0.149 0.000 1.022 491 V CA -0.995 61.360 62.300 0.092 0.000 0.850 491 V CB 1.744 33.619 31.823 0.086 0.000 0.992 491 V HN 0.079 nan 8.190 nan 0.000 0.426 492 Y N 4.687 125.008 120.300 0.036 0.000 2.404 492 Y HA 0.705 5.255 4.550 -0.000 0.000 0.344 492 Y C 0.144 176.071 175.900 0.044 0.000 0.995 492 Y CA -1.306 56.835 58.100 0.069 0.000 1.201 492 Y CB 0.905 39.444 38.460 0.132 0.000 1.151 492 Y HN 0.735 nan 8.280 nan 0.000 0.517 493 A N 7.474 130.318 122.820 0.040 0.000 2.422 493 A HA 0.779 5.099 4.320 -0.000 0.000 0.302 493 A C -2.080 175.467 177.584 -0.062 0.000 1.041 493 A CA -0.561 51.316 52.037 -0.267 0.000 0.708 493 A CB 1.001 19.689 19.000 -0.519 0.000 1.257 493 A HN 0.839 nan 8.150 nan 0.000 0.414 494 Y N -1.138 118.977 120.300 -0.309 0.000 2.656 494 Y HA 0.814 5.363 4.550 -0.000 0.000 0.334 494 Y C -0.171 175.606 175.900 -0.205 0.000 1.179 494 Y CA -0.642 57.278 58.100 -0.299 0.000 1.050 494 Y CB 0.802 38.991 38.460 -0.451 0.000 1.308 494 Y HN 0.804 nan 8.280 nan 0.000 0.456 495 T N -0.007 114.517 114.554 -0.050 0.000 2.932 495 T HA 0.829 5.179 4.350 -0.000 0.000 0.289 495 T C -0.851 173.889 174.700 0.067 0.000 1.039 495 T CA -1.075 61.013 62.100 -0.020 0.000 1.024 495 T CB 1.900 70.755 68.868 -0.022 0.000 1.090 495 T HN 0.689 nan 8.240 nan 0.000 0.496 496 R N 1.325 121.898 120.500 0.123 0.000 2.532 496 R HA 0.700 5.040 4.340 -0.000 0.000 0.297 496 R C -1.126 175.279 176.300 0.174 0.000 0.984 496 R CA -0.692 55.510 56.100 0.171 0.000 0.884 496 R CB 2.026 32.440 30.300 0.190 0.000 1.182 496 R HN 0.848 nan 8.270 nan 0.000 0.442 497 S N 1.785 117.566 115.700 0.135 0.000 2.536 497 S HA 0.594 5.064 4.470 -0.000 0.000 0.287 497 S C -1.013 173.651 174.600 0.107 0.000 1.101 497 S CA -0.838 57.432 58.200 0.117 0.000 0.950 497 S CB 2.851 66.088 63.200 0.062 0.000 1.056 497 S HN 0.514 nan 8.310 nan 0.000 0.481 498 Q N 1.084 120.948 119.800 0.107 0.000 2.378 498 Q HA 0.268 4.608 4.340 -0.000 0.000 0.262 498 Q C -1.803 174.239 176.000 0.069 0.000 0.978 498 Q CA -0.382 55.469 55.803 0.082 0.000 0.918 498 Q CB 0.991 29.780 28.738 0.086 0.000 1.415 498 Q HN 0.634 nan 8.270 nan 0.000 0.409 499 D N 3.094 123.521 120.400 0.045 0.000 2.686 499 D HA -0.216 4.423 4.640 -0.000 0.000 0.235 499 D C 0.704 177.023 176.300 0.032 0.000 1.160 499 D CA 2.081 56.101 54.000 0.034 0.000 0.645 499 D CB -1.259 39.562 40.800 0.034 0.000 1.039 499 D HN 1.145 nan 8.370 nan 0.000 0.423 500 G N -0.771 108.044 108.800 0.026 0.000 2.184 500 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.264 500 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.264 500 G C -0.029 174.873 174.900 0.003 0.000 0.975 500 G CA 0.501 45.609 45.100 0.012 0.000 0.642 500 G HN 0.428 nan 8.290 nan 0.000 0.536 501 E N 0.934 121.149 120.200 0.024 0.000 2.151 501 E HA 0.570 4.920 4.350 -0.000 0.000 0.275 501 E C -0.431 176.160 176.600 -0.015 0.000 0.936 501 E CA -0.145 56.252 56.400 -0.005 0.000 0.777 501 E CB 1.646 31.407 29.700 0.101 0.000 1.108 501 E HN 0.152 nan 8.360 nan 0.000 0.401 502 T N 2.697 117.149 114.554 -0.169 0.000 2.841 502 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 502 T C -0.889 173.599 174.700 -0.353 0.000 1.000 502 T CA -0.506 61.520 62.100 -0.122 0.000 0.977 502 T CB 0.487 69.311 68.868 -0.074 0.000 0.979 502 T HN 0.216 nan 8.240 nan 0.000 0.446 503 Y N 1.488 121.791 120.300 0.004 0.000 2.485 503 Y HA 0.707 5.257 4.550 -0.000 0.000 0.345 503 Y C -0.386 175.494 175.900 -0.033 0.000 0.998 503 Y CA -1.308 56.790 58.100 -0.004 0.000 1.059 503 Y CB 1.595 40.043 38.460 -0.019 0.000 1.234 503 Y HN 0.454 nan 8.280 nan 0.000 0.461 504 L N 3.006 124.292 121.223 0.104 0.000 2.346 504 L HA 0.840 5.179 4.340 -0.000 0.000 0.276 504 L C -1.506 175.338 176.870 -0.043 0.000 1.006 504 L CA -0.680 54.166 54.840 0.010 0.000 0.817 504 L CB 1.532 43.629 42.059 0.063 0.000 1.272 504 L HN 0.426 nan 8.230 nan 0.000 0.421 505 V N 5.481 125.173 119.914 -0.371 0.000 2.495 505 V HA 0.661 4.781 4.120 -0.000 0.000 0.298 505 V C -0.726 175.050 176.094 -0.529 0.000 1.031 505 V CA -0.601 61.385 62.300 -0.523 0.000 0.871 505 V CB 1.919 33.112 31.823 -1.049 0.000 0.988 505 V HN 0.559 nan 8.190 nan 0.000 0.432 506 V N 5.260 125.015 119.914 -0.265 0.000 2.525 506 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 506 V C -0.683 175.342 176.094 -0.115 0.000 1.034 506 V CA -0.553 61.563 62.300 -0.306 0.000 0.863 506 V CB 2.107 33.725 31.823 -0.341 0.000 0.999 506 V HN 0.590 nan 8.190 nan 0.000 0.423 507 V N 3.624 123.515 119.914 -0.038 0.000 2.482 507 V HA 0.442 4.562 4.120 -0.000 0.000 0.295 507 V C -0.249 175.932 176.094 0.146 0.000 1.026 507 V CA -0.777 61.586 62.300 0.105 0.000 0.856 507 V CB 2.010 34.002 31.823 0.282 0.000 1.001 507 V HN 0.850 nan 8.190 nan 0.000 0.424 508 N N 3.143 121.846 118.700 0.005 0.000 2.411 508 N HA 0.283 5.023 4.740 -0.000 0.000 0.259 508 N C -0.030 175.249 175.510 -0.385 0.000 1.103 508 N CA -0.201 52.789 53.050 -0.100 0.000 0.954 508 N CB 0.629 39.033 38.487 -0.137 0.000 1.085 508 N HN 0.509 nan 8.380 nan 0.000 0.485 509 F N 1.921 121.531 119.950 -0.566 0.000 2.732 509 F HA 0.259 4.786 4.527 -0.000 0.000 0.303 509 F C 0.572 175.618 175.800 -1.257 0.000 1.110 509 F CA 0.096 57.478 58.000 -1.029 0.000 1.355 509 F CB 0.303 38.987 39.000 -0.526 0.000 1.081 509 F HN 0.156 nan 8.300 nan 0.000 0.565 510 K N -0.045 119.859 120.400 -0.825 0.000 2.156 510 K HA 0.581 4.901 4.320 -0.000 0.000 0.254 510 K C 0.206 176.303 176.600 -0.838 0.000 0.950 510 K CA -0.474 55.413 56.287 -0.667 0.000 0.849 510 K CB 1.548 33.848 32.500 -0.333 0.000 1.100 510 K HN -0.137 nan 8.250 nan 0.000 0.434 511 A N 2.361 124.762 122.820 -0.698 0.000 2.840 511 A HA 0.127 4.447 4.320 -0.000 0.000 0.269 511 A C -0.285 177.054 177.584 -0.408 0.000 1.439 511 A CA 0.115 51.660 52.037 -0.820 0.000 1.083 511 A CB -0.338 17.969 19.000 -1.155 0.000 1.019 511 A HN 0.661 nan 8.150 nan 0.000 0.607 512 E N -0.259 119.780 120.200 -0.268 0.000 2.413 512 E HA 0.337 4.687 4.350 -0.000 0.000 0.277 512 E C -3.054 173.500 176.600 -0.077 0.000 0.958 512 E CA -2.406 53.933 56.400 -0.101 0.000 0.779 512 E CB 1.775 31.427 29.700 -0.080 0.000 1.278 512 E HN 0.022 nan 8.360 nan 0.000 0.456 513 P HA 0.108 nan 4.420 nan 0.000 0.268 513 P C -0.834 176.457 177.300 -0.015 0.000 1.205 513 P CA 0.032 63.131 63.100 -0.001 0.000 0.771 513 P CB 0.589 32.302 31.700 0.022 0.000 0.858 514 R N 1.075 121.572 120.500 -0.005 0.000 2.799 514 R HA 0.623 4.963 4.340 -0.000 0.000 0.270 514 R C -0.650 175.672 176.300 0.036 0.000 1.010 514 R CA -0.707 55.396 56.100 0.005 0.000 0.916 514 R CB 1.852 32.147 30.300 -0.008 0.000 1.228 514 R HN 0.340 nan 8.270 nan 0.000 0.469 515 S N 0.476 116.205 115.700 0.050 0.000 2.648 515 S HA 0.720 5.190 4.470 -0.000 0.000 0.305 515 S C -1.370 173.316 174.600 0.143 0.000 1.094 515 S CA -0.516 57.724 58.200 0.067 0.000 0.983 515 S CB 1.445 64.657 63.200 0.020 0.000 1.101 515 S HN 0.425 nan 8.310 nan 0.000 0.514 516 F N 1.383 121.311 119.950 -0.037 0.000 2.607 516 F HA 0.432 4.959 4.527 -0.000 0.000 0.322 516 F C -0.803 174.960 175.800 -0.062 0.000 1.176 516 F CA -0.227 57.747 58.000 -0.044 0.000 0.977 516 F CB 1.318 40.291 39.000 -0.045 0.000 1.242 516 F HN 0.435 nan 8.300 nan 0.000 0.465 517 T N 7.122 121.164 114.554 -0.852 0.000 2.749 517 T HA 0.494 4.844 4.350 -0.000 0.000 0.287 517 T C 0.194 174.291 174.700 -1.004 0.000 0.970 517 T CA -0.520 61.178 62.100 -0.671 0.000 0.980 517 T CB 0.638 69.277 68.868 -0.381 0.000 0.924 517 T HN 0.419 nan 8.240 nan 0.000 0.456 518 L N 4.190 125.008 121.223 -0.674 0.000 2.473 518 L HA 0.280 4.620 4.340 -0.000 0.000 0.268 518 L C -1.929 174.741 176.870 -0.334 0.000 1.215 518 L CA -1.942 52.621 54.840 -0.461 0.000 0.823 518 L CB -0.464 41.453 42.059 -0.236 0.000 1.099 518 L HN 0.305 nan 8.230 nan 0.000 0.483 519 P HA -0.004 nan 4.420 nan 0.000 0.267 519 P C -0.925 176.267 177.300 -0.180 0.000 1.200 519 P CA -0.193 62.814 63.100 -0.156 0.000 0.772 519 P CB 0.320 31.966 31.700 -0.089 0.000 0.855 520 D N 1.668 121.982 120.400 -0.142 0.000 2.525 520 D HA 0.127 4.767 4.640 -0.000 0.000 0.235 520 D C 1.623 177.844 176.300 -0.132 0.000 1.137 520 D CA 1.745 55.666 54.000 -0.131 0.000 0.868 520 D CB 0.172 40.922 40.800 -0.082 0.000 1.180 520 D HN 0.701 nan 8.370 nan 0.000 0.465 521 G N 1.876 110.586 108.800 -0.150 0.000 2.225 521 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 521 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 521 G C 0.405 175.195 174.900 -0.184 0.000 0.988 521 G CA 0.395 45.439 45.100 -0.093 0.000 0.625 521 G HN 0.541 nan 8.290 nan 0.000 0.527 522 M N 1.692 121.092 119.600 -0.333 0.000 2.264 522 M HA 0.637 5.117 4.480 -0.000 0.000 0.352 522 M C -0.493 175.452 176.300 -0.592 0.000 1.173 522 M CA -0.537 54.582 55.300 -0.302 0.000 1.075 522 M CB 0.707 33.200 32.600 -0.179 0.000 1.621 522 M HN 0.243 nan 8.290 nan 0.000 0.457 523 H N 4.519 123.560 119.070 -0.049 0.000 2.851 523 H HA 0.391 4.946 4.556 -0.000 0.000 0.372 523 H C -0.824 174.474 175.328 -0.051 0.000 1.158 523 H CA -0.751 55.265 56.048 -0.052 0.000 1.159 523 H CB 1.776 31.511 29.762 -0.045 0.000 1.757 523 H HN 0.590 nan 8.280 nan 0.000 0.546 524 I N 1.622 122.225 120.570 0.055 0.000 2.618 524 I HA -0.022 4.148 4.170 -0.000 0.000 0.284 524 I C 1.280 177.423 176.117 0.043 0.000 1.146 524 I CA 0.493 61.802 61.300 0.016 0.000 1.425 524 I CB 0.789 38.767 38.000 -0.037 0.000 1.383 524 I HN 0.751 nan 8.210 nan 0.000 0.562 525 A N 5.025 127.868 122.820 0.038 0.000 1.970 525 A HA 0.473 4.793 4.320 -0.000 0.000 0.204 525 A C 0.871 178.482 177.584 0.046 0.000 1.325 525 A CA 0.922 52.975 52.037 0.026 0.000 0.767 525 A CB 0.117 19.112 19.000 -0.008 0.000 0.949 525 A HN 0.762 nan 8.150 nan 0.000 0.481 526 E N -1.437 118.809 120.200 0.078 0.000 2.392 526 E HA 0.576 4.926 4.350 -0.000 0.000 0.279 526 E C -1.096 175.609 176.600 0.175 0.000 0.964 526 E CA -0.285 56.176 56.400 0.102 0.000 0.777 526 E CB 0.850 30.595 29.700 0.075 0.000 1.249 526 E HN 0.116 nan 8.360 nan 0.000 0.449 527 T N 2.479 117.131 114.554 0.164 0.000 2.756 527 T HA 0.401 4.751 4.350 -0.000 0.000 0.290 527 T C 1.143 175.859 174.700 0.026 0.000 0.985 527 T CA -0.390 61.803 62.100 0.155 0.000 0.955 527 T CB 0.387 69.376 68.868 0.203 0.000 0.930 527 T HN 0.486 nan 8.240 nan 0.000 0.451 528 L N 3.364 124.552 121.223 -0.058 0.000 2.162 528 L HA 0.482 4.822 4.340 -0.000 0.000 0.205 528 L C 0.722 177.540 176.870 -0.086 0.000 1.086 528 L CA 0.837 55.646 54.840 -0.052 0.000 0.778 528 L CB 0.177 42.204 42.059 -0.053 0.000 0.928 528 L HN 0.549 nan 8.230 nan 0.000 0.446 529 I N -1.457 119.023 120.570 -0.150 0.000 2.793 529 I HA 0.175 4.344 4.170 -0.000 0.000 0.295 529 I C -1.811 174.262 176.117 -0.073 0.000 1.610 529 I CA -0.492 60.764 61.300 -0.074 0.000 0.986 529 I CB 2.325 40.264 38.000 -0.101 0.000 1.402 529 I HN -0.043 nan 8.210 nan 0.000 0.500 530 E N 2.972 123.222 120.200 0.082 0.000 2.413 530 E HA 0.554 4.904 4.350 -0.000 0.000 0.277 530 E C -1.635 175.049 176.600 0.139 0.000 0.958 530 E CA -0.862 55.592 56.400 0.090 0.000 0.779 530 E CB 2.390 32.130 29.700 0.067 0.000 1.278 530 E HN 0.560 nan 8.360 nan 0.000 0.456 531 S N -0.372 115.316 115.700 -0.020 0.000 2.513 531 S HA 0.477 4.947 4.470 -0.000 0.000 0.299 531 S C -0.030 174.505 174.600 -0.109 0.000 1.087 531 S CA -0.537 57.495 58.200 -0.281 0.000 1.012 531 S CB 1.603 64.302 63.200 -0.834 0.000 1.044 531 S HN 0.555 nan 8.310 nan 0.000 0.485 532 S N 0.018 115.669 115.700 -0.081 0.000 3.521 532 S HA -0.152 4.318 4.470 -0.000 0.000 0.328 532 S C 0.084 174.711 174.600 0.044 0.000 1.165 532 S CA 1.030 59.234 58.200 0.007 0.000 0.941 532 S CB -1.970 61.265 63.200 0.057 0.000 0.951 532 S HN 1.233 nan 8.310 nan 0.000 0.539 533 S N 1.215 116.940 115.700 0.042 0.000 2.454 533 S HA 0.611 5.081 4.470 -0.000 0.000 0.306 533 S C -0.890 173.745 174.600 0.059 0.000 1.100 533 S CA -1.255 56.984 58.200 0.064 0.000 1.087 533 S CB 1.296 64.547 63.200 0.085 0.000 1.019 533 S HN 0.165 nan 8.310 nan 0.000 0.480 534 P HA 0.341 nan 4.420 nan 0.000 0.240 534 P C -0.267 177.064 177.300 0.052 0.000 1.190 534 P CA 0.126 63.256 63.100 0.050 0.000 0.781 534 P CB 0.229 31.957 31.700 0.047 0.000 0.931 535 A N -0.516 122.341 122.820 0.062 0.000 2.565 535 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 535 A C -0.706 176.929 177.584 0.085 0.000 1.062 535 A CA -0.427 51.649 52.037 0.064 0.000 0.723 535 A CB 0.879 19.911 19.000 0.052 0.000 1.282 535 A HN 0.165 nan 8.150 nan 0.000 0.400 536 A N 3.307 126.183 122.820 0.094 0.000 2.366 536 A HA 0.733 5.053 4.320 -0.000 0.000 0.249 536 A C -1.631 176.017 177.584 0.106 0.000 1.084 536 A CA -0.866 51.251 52.037 0.134 0.000 0.794 536 A CB -0.511 18.569 19.000 0.132 0.000 1.034 536 A HN 0.715 nan 8.150 nan 0.000 0.491 537 P HA 0.387 nan 4.420 nan 0.000 0.274 537 P C -0.361 176.967 177.300 0.047 0.000 1.256 537 P CA -0.051 63.077 63.100 0.045 0.000 0.795 537 P CB 0.712 32.396 31.700 -0.027 0.000 1.038 538 A N 0.767 123.603 122.820 0.027 0.000 2.316 538 A HA 0.552 4.872 4.320 -0.000 0.000 0.284 538 A C 0.472 178.070 177.584 0.023 0.000 1.115 538 A CA -0.366 51.686 52.037 0.026 0.000 0.812 538 A CB -0.207 18.802 19.000 0.015 0.000 1.064 538 A HN 0.667 nan 8.150 nan 0.000 0.489 539 A N 0.555 123.389 122.820 0.024 0.000 2.540 539 A HA 0.463 4.783 4.320 -0.000 0.000 0.239 539 A C 1.573 179.160 177.584 0.006 0.000 1.061 539 A CA 0.892 52.941 52.037 0.020 0.000 0.758 539 A CB -0.736 18.273 19.000 0.015 0.000 0.991 539 A HN 2.750 nan 8.150 nan 0.000 0.502 540 G N 0.567 109.375 108.800 0.013 0.000 2.176 540 G HA2 0.149 4.109 3.960 -0.000 0.000 0.253 540 G HA3 0.149 4.109 3.960 -0.000 0.000 0.253 540 G C 0.650 175.588 174.900 0.064 0.000 0.979 540 G CA 0.471 45.567 45.100 -0.006 0.000 0.641 540 G HN 2.282 nan 8.290 nan 0.000 0.530 541 A N 0.120 122.971 122.820 0.052 0.000 2.531 541 A HA 0.675 4.995 4.320 -0.000 0.000 0.236 541 A C 1.413 179.045 177.584 0.080 0.000 1.062 541 A CA 1.308 53.371 52.037 0.044 0.000 0.760 541 A CB 0.580 19.573 19.000 -0.011 0.000 0.995 541 A HN 1.867 nan 8.150 nan 0.000 0.501 542 A N 1.661 124.514 122.820 0.055 0.000 2.390 542 A HA 0.538 4.858 4.320 -0.000 0.000 0.232 542 A C 0.751 178.261 177.584 -0.123 0.000 1.233 542 A CA 0.767 52.782 52.037 -0.038 0.000 0.907 542 A CB -0.344 18.661 19.000 0.008 0.000 0.967 542 A HN 1.881 nan 8.150 nan 0.000 0.512 543 S N -1.362 114.285 115.700 -0.089 0.000 2.615 543 S HA 0.797 5.267 4.470 -0.000 0.000 0.269 543 S C -1.283 173.290 174.600 -0.044 0.000 1.161 543 S CA -0.722 57.415 58.200 -0.105 0.000 0.817 543 S CB 1.005 64.144 63.200 -0.103 0.000 1.131 543 S HN 0.245 nan 8.310 nan 0.000 0.467 544 L N 0.613 121.842 121.223 0.011 0.000 2.409 544 L HA 0.663 5.003 4.340 -0.000 0.000 0.262 544 L C -1.056 175.847 176.870 0.056 0.000 0.992 544 L CA -0.792 54.068 54.840 0.033 0.000 0.817 544 L CB 2.218 44.309 42.059 0.053 0.000 1.350 544 L HN 0.627 nan 8.230 nan 0.000 0.411 545 E N 3.352 123.579 120.200 0.044 0.000 2.133 545 E HA 0.562 4.912 4.350 -0.000 0.000 0.274 545 E C -1.119 175.515 176.600 0.056 0.000 0.930 545 E CA -0.383 56.044 56.400 0.045 0.000 0.770 545 E CB 2.178 31.898 29.700 0.034 0.000 1.104 545 E HN 0.376 nan 8.360 nan 0.000 0.403 546 L N 2.534 123.790 121.223 0.055 0.000 2.322 546 L HA 0.337 4.677 4.340 -0.000 0.000 0.281 546 L C 0.651 177.546 176.870 0.041 0.000 1.014 546 L CA -1.008 53.863 54.840 0.051 0.000 0.815 546 L CB 1.283 43.366 42.059 0.041 0.000 1.247 546 L HN 0.156 nan 8.230 nan 0.000 0.421 547 Q N 2.253 122.087 119.800 0.056 0.000 2.396 547 Q HA 0.329 4.669 4.340 -0.000 0.000 0.221 547 Q C -2.264 173.771 176.000 0.060 0.000 1.025 547 Q CA -1.847 53.999 55.803 0.072 0.000 0.946 547 Q CB 0.540 29.337 28.738 0.097 0.000 1.224 547 Q HN 0.274 nan 8.270 nan 0.000 0.539 548 P HA -0.111 nan 4.420 nan 0.000 0.262 548 P C -0.651 176.720 177.300 0.118 0.000 1.182 548 P CA 0.524 63.624 63.100 -0.000 0.000 0.761 548 P CB 0.081 31.827 31.700 0.078 0.000 0.795 549 W N -0.250 120.971 121.300 -0.132 0.000 3.904 549 W HA -0.246 4.414 4.660 -0.000 0.000 0.312 549 W C 0.692 177.153 176.519 -0.097 0.000 1.159 549 W CA 0.418 57.678 57.345 -0.142 0.000 0.704 549 W CB -1.866 27.519 29.460 -0.126 0.000 2.209 549 W HN 0.440 nan 8.180 nan 0.000 1.468 550 Q N 1.451 121.313 119.800 0.102 0.000 2.364 550 Q HA 0.295 4.634 4.340 -0.000 0.000 0.267 550 Q C 0.685 176.719 176.000 0.055 0.000 0.999 550 Q CA 0.988 56.835 55.803 0.073 0.000 0.886 550 Q CB 0.835 29.614 28.738 0.068 0.000 1.243 550 Q HN 0.160 nan 8.270 nan 0.000 0.415 551 S N 1.701 117.425 115.700 0.041 0.000 2.599 551 S HA 0.966 5.436 4.470 -0.000 0.000 0.287 551 S C -0.567 174.060 174.600 0.045 0.000 1.105 551 S CA -0.223 58.006 58.200 0.049 0.000 0.899 551 S CB 2.131 65.371 63.200 0.066 0.000 1.100 551 S HN 0.867 nan 8.310 nan 0.000 0.482 552 G N 0.236 109.026 108.800 -0.017 0.000 2.632 552 G HA2 0.597 4.557 3.960 -0.000 0.000 0.292 552 G HA3 0.597 4.557 3.960 -0.000 0.000 0.292 552 G C -1.914 172.702 174.900 -0.474 0.000 1.465 552 G CA -0.804 44.149 45.100 -0.245 0.000 0.824 552 G HN 0.837 nan 8.290 nan 0.000 0.509 553 I N 0.657 120.790 120.570 -0.727 0.000 2.466 553 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 553 I C -1.268 174.441 176.117 -0.679 0.000 1.026 553 I CA -0.808 60.189 61.300 -0.505 0.000 1.078 553 I CB 2.089 39.934 38.000 -0.260 0.000 1.249 553 I HN 0.452 nan 8.210 nan 0.000 0.429 554 Y N 3.699 124.024 120.300 0.041 0.000 2.512 554 Y HA 0.479 5.029 4.550 -0.000 0.000 0.348 554 Y C -0.217 175.719 175.900 0.060 0.000 0.990 554 Y CA -1.119 57.014 58.100 0.055 0.000 1.033 554 Y CB 1.626 40.093 38.460 0.011 0.000 1.259 554 Y HN 0.365 nan 8.280 nan 0.000 0.461 555 K N 1.620 122.104 120.400 0.140 0.000 2.201 555 K HA 0.661 4.981 4.320 -0.000 0.000 0.278 555 K C -1.240 175.297 176.600 -0.105 0.000 1.027 555 K CA -0.392 55.778 56.287 -0.194 0.000 0.909 555 K CB 0.926 33.306 32.500 -0.200 0.000 1.062 555 K HN 0.593 nan 8.250 nan 0.000 0.465 556 V N 4.195 124.002 119.914 -0.180 0.000 2.850 556 V HA 0.422 4.542 4.120 -0.000 0.000 0.315 556 V C -0.334 175.710 176.094 -0.084 0.000 1.064 556 V CA -0.560 61.689 62.300 -0.085 0.000 0.979 556 V CB 1.838 33.621 31.823 -0.067 0.000 1.039 556 V HN 0.919 nan 8.190 nan 0.000 0.452 557 K N 0.000 120.386 120.400 -0.023 0.000 2.780 557 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 557 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 557 K CB 0.000 32.507 32.500 0.011 0.000 1.064 557 K HN 0.000 nan 8.250 nan 0.000 0.543