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 2h9y_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.418 56.400 0.031 0.000 0.976 4 E CB 0.000 29.719 29.700 0.032 0.000 0.812 5 D N 5.349 125.782 120.400 0.055 0.000 2.336 5 D HA 0.188 4.851 4.640 0.038 0.000 0.249 5 D C -1.435 174.911 176.300 0.077 0.000 1.213 5 D CA -2.207 51.841 54.000 0.079 0.000 0.870 5 D CB 1.517 42.389 40.800 0.120 0.000 1.076 5 D HN 0.245 nan 8.370 nan 0.000 0.483 6 P HA -0.136 nan 4.420 nan 0.000 0.225 6 P C 1.032 178.357 177.300 0.041 0.000 1.148 6 P CA 0.666 63.789 63.100 0.038 0.000 0.779 6 P CB 0.530 32.237 31.700 0.013 0.000 0.780 7 Q N -0.286 119.533 119.800 0.032 0.000 2.224 7 Q HA 0.017 4.380 4.340 0.038 0.000 0.203 7 Q C 1.972 178.081 176.000 0.182 0.000 0.970 7 Q CA 0.958 56.773 55.803 0.020 0.000 0.865 7 Q CB -0.401 28.218 28.738 -0.199 0.000 0.922 7 Q HN 0.420 nan 8.270 nan 0.000 0.445 8 L N -0.019 121.315 121.223 0.184 0.000 2.628 8 L HA 0.235 4.597 4.340 0.038 0.000 0.229 8 L C 0.514 177.562 176.870 0.296 0.000 1.137 8 L CA -0.100 54.859 54.840 0.199 0.000 0.909 8 L CB 0.282 42.379 42.059 0.062 0.000 1.137 8 L HN 0.000 nan 8.230 nan 0.000 0.470 9 L N 1.247 122.603 121.223 0.221 0.000 2.316 9 L HA 0.553 4.916 4.340 0.038 0.000 0.280 9 L C -1.131 175.782 176.870 0.072 0.000 1.006 9 L CA -0.378 54.557 54.840 0.158 0.000 0.836 9 L CB 2.002 44.115 42.059 0.090 0.000 1.221 9 L HN -0.195 nan 8.230 nan 0.000 0.418 10 V N 4.425 124.353 119.914 0.023 0.000 2.656 10 V HA 0.480 4.622 4.120 0.038 0.000 0.307 10 V C -0.299 175.724 176.094 -0.118 0.000 1.051 10 V CA -0.805 61.374 62.300 -0.203 0.000 0.893 10 V CB 2.279 33.709 31.823 -0.654 0.000 0.999 10 V HN 0.698 nan 8.190 nan 0.000 0.426 11 R N 3.276 123.686 120.500 -0.150 0.000 2.229 11 R HA 0.713 5.076 4.340 0.038 0.000 0.332 11 R C -0.605 175.615 176.300 -0.134 0.000 0.989 11 R CA -0.326 55.721 56.100 -0.090 0.000 0.842 11 R CB 1.398 31.648 30.300 -0.083 0.000 1.119 11 R HN 0.730 nan 8.270 nan 0.000 0.456 12 V N 1.799 121.686 119.914 -0.046 0.000 3.267 12 V HA 0.456 4.598 4.120 0.038 0.000 0.317 12 V C 1.207 177.231 176.094 -0.117 0.000 1.131 12 V CA -0.819 61.449 62.300 -0.054 0.000 1.031 12 V CB 1.692 33.616 31.823 0.169 0.000 1.159 12 V HN 0.843 nan 8.190 nan 0.000 0.454 13 R N 0.952 121.366 120.500 -0.144 0.000 2.127 13 R HA -0.053 4.310 4.340 0.038 0.000 0.238 13 R C 2.108 178.263 176.300 -0.240 0.000 1.134 13 R CA 1.700 57.703 56.100 -0.162 0.000 0.975 13 R CB -0.745 29.474 30.300 -0.134 0.000 0.865 13 R HN 0.983 nan 8.270 nan 0.000 0.447 14 G N -0.382 108.227 108.800 -0.318 0.000 2.511 14 G HA2 0.212 4.195 3.960 0.038 0.000 0.217 14 G HA3 0.212 4.195 3.960 0.038 0.000 0.217 14 G C 0.513 174.525 174.900 -1.480 0.000 1.133 14 G CA 0.646 45.284 45.100 -0.770 0.000 0.792 14 G HN 0.587 nan 8.290 nan 0.000 0.539 15 G N -1.414 106.754 108.800 -1.054 0.000 2.339 15 G HA2 0.200 4.183 3.960 0.038 0.000 0.275 15 G HA3 0.200 4.183 3.960 0.038 0.000 0.275 15 G C -1.335 173.538 174.900 -0.045 0.000 1.323 15 G CA -0.868 43.773 45.100 -0.765 0.000 0.927 15 G HN 0.231 nan 8.290 nan 0.000 0.486 16 Q N -0.306 119.635 119.800 0.236 0.000 2.235 16 Q HA 0.682 5.044 4.340 0.038 0.000 0.250 16 Q C -0.537 175.757 176.000 0.491 0.000 0.909 16 Q CA -0.209 55.782 55.803 0.312 0.000 0.910 16 Q CB 1.838 30.688 28.738 0.186 0.000 1.223 16 Q HN 0.438 nan 8.270 nan 0.000 0.432 17 L N 1.337 122.757 121.223 0.329 0.000 2.354 17 L HA 0.625 4.988 4.340 0.038 0.000 0.264 17 L C -0.402 176.625 176.870 0.262 0.000 1.008 17 L CA -0.834 54.184 54.840 0.296 0.000 0.819 17 L CB 2.178 44.446 42.059 0.349 0.000 1.339 17 L HN 0.433 nan 8.230 nan 0.000 0.420 18 R N 0.488 121.122 120.500 0.223 0.000 2.409 18 R HA 0.608 4.971 4.340 0.038 0.000 0.313 18 R C -0.285 176.098 176.300 0.138 0.000 0.953 18 R CA -0.322 55.889 56.100 0.185 0.000 0.849 18 R CB 1.632 31.985 30.300 0.089 0.000 1.171 18 R HN 0.834 nan 8.270 nan 0.000 0.458 19 G N 3.279 112.124 108.800 0.076 0.000 2.531 19 G HA2 0.448 4.431 3.960 0.038 0.000 0.281 19 G HA3 0.448 4.431 3.960 0.038 0.000 0.281 19 G C -0.890 173.816 174.900 -0.324 0.000 1.382 19 G CA -0.651 44.209 45.100 -0.401 0.000 1.045 19 G HN 0.579 nan 8.290 nan 0.000 0.533 20 I N -0.914 119.405 120.570 -0.419 0.000 2.619 20 I HA 0.484 4.676 4.170 0.038 0.000 0.292 20 I C -0.248 175.722 176.117 -0.245 0.000 1.100 20 I CA -1.063 60.081 61.300 -0.260 0.000 1.043 20 I CB 2.097 39.961 38.000 -0.227 0.000 1.239 20 I HN 0.451 nan 8.210 nan 0.000 0.420 21 R N 7.441 127.836 120.500 -0.176 0.000 2.267 21 R HA 0.522 4.885 4.340 0.038 0.000 0.319 21 R C -1.518 174.679 176.300 -0.172 0.000 1.067 21 R CA -0.232 55.753 56.100 -0.192 0.000 0.936 21 R CB 0.518 30.647 30.300 -0.285 0.000 1.006 21 R HN 0.609 nan 8.270 nan 0.000 0.452 22 L N 3.662 124.804 121.223 -0.136 0.000 2.334 22 L HA 0.447 4.809 4.340 0.038 0.000 0.272 22 L C -0.187 176.614 176.870 -0.116 0.000 1.020 22 L CA -1.003 53.775 54.840 -0.103 0.000 0.812 22 L CB 1.718 43.752 42.059 -0.041 0.000 1.264 22 L HN 0.512 nan 8.230 nan 0.000 0.439 23 K N 1.858 122.193 120.400 -0.109 0.000 2.248 23 K HA 0.633 4.976 4.320 0.038 0.000 0.281 23 K C -0.652 175.874 176.600 -0.122 0.000 1.054 23 K CA -0.237 55.986 56.287 -0.106 0.000 0.903 23 K CB 1.318 33.767 32.500 -0.085 0.000 1.077 23 K HN 0.669 nan 8.250 nan 0.000 0.474 24 A N 5.458 128.204 122.820 -0.124 0.000 2.294 24 A HA 0.475 4.818 4.320 0.038 0.000 0.330 24 A C -1.957 175.595 177.584 -0.054 0.000 1.133 24 A CA -1.885 50.058 52.037 -0.157 0.000 0.836 24 A CB 0.586 19.477 19.000 -0.182 0.000 1.190 24 A HN 0.717 nan 8.150 nan 0.000 0.492 25 P HA -0.135 nan 4.420 nan 0.000 0.216 25 P C 1.349 178.665 177.300 0.026 0.000 1.153 25 P CA 2.180 65.307 63.100 0.045 0.000 0.858 25 P CB 0.204 31.968 31.700 0.107 0.000 0.789 26 G N -2.360 106.457 108.800 0.028 0.000 2.838 26 G HA2 0.427 4.409 3.960 0.038 0.000 0.210 26 G HA3 0.427 4.409 3.960 0.038 0.000 0.210 26 G C 0.566 175.474 174.900 0.014 0.000 1.153 26 G CA 0.561 45.675 45.100 0.023 0.000 0.778 26 G HN 0.602 nan 8.290 nan 0.000 0.539 27 G N -0.684 108.116 108.800 -0.000 0.000 2.324 27 G HA2 0.434 4.416 3.960 0.038 0.000 0.293 27 G HA3 0.434 4.416 3.960 0.038 0.000 0.293 27 G C -3.410 171.471 174.900 -0.031 0.000 1.297 27 G CA -0.674 44.423 45.100 -0.005 0.000 0.853 27 G HN 0.013 nan 8.290 nan 0.000 0.535 28 P HA 0.538 nan 4.420 nan 0.000 0.276 28 P C -0.104 177.194 177.300 -0.004 0.000 1.244 28 P CA -0.319 62.711 63.100 -0.116 0.000 0.801 28 P CB 1.730 33.228 31.700 -0.337 0.000 1.006 29 V N -1.751 118.159 119.914 -0.006 0.000 3.040 29 V HA 0.680 4.823 4.120 0.038 0.000 0.312 29 V C -0.487 175.677 176.094 0.116 0.000 1.115 29 V CA -0.894 61.478 62.300 0.121 0.000 0.998 29 V CB 1.830 33.731 31.823 0.131 0.000 1.042 29 V HN 0.429 nan 8.190 nan 0.000 0.433 30 S N 1.777 117.597 115.700 0.200 0.000 2.442 30 S HA 0.868 5.361 4.470 0.038 0.000 0.297 30 S C -0.003 174.548 174.600 -0.081 0.000 1.131 30 S CA 0.012 58.245 58.200 0.056 0.000 1.092 30 S CB 1.160 64.487 63.200 0.212 0.000 0.998 30 S HN 1.544 nan 8.310 nan 0.000 0.478 31 A N 2.776 125.351 122.820 -0.408 0.000 2.355 31 A HA 0.848 5.190 4.320 0.038 0.000 0.317 31 A C -1.258 175.855 177.584 -0.784 0.000 1.094 31 A CA -0.645 51.062 52.037 -0.550 0.000 0.764 31 A CB 0.573 19.240 19.000 -0.555 0.000 1.230 31 A HN 0.691 nan 8.150 nan 0.000 0.448 32 F N 2.384 122.156 119.950 -0.297 0.000 2.532 32 F HA 0.463 5.013 4.527 0.038 0.000 0.365 32 F C -0.336 175.280 175.800 -0.308 0.000 1.112 32 F CA -0.267 57.638 58.000 -0.158 0.000 1.082 32 F CB 1.339 40.404 39.000 0.108 0.000 1.319 32 F HN 0.328 nan 8.300 nan 0.000 0.457 33 L N 2.238 123.311 121.223 -0.249 0.000 2.317 33 L HA 0.733 5.096 4.340 0.038 0.000 0.281 33 L C 0.828 177.591 176.870 -0.177 0.000 1.024 33 L CA -0.950 53.675 54.840 -0.359 0.000 0.810 33 L CB 1.785 43.426 42.059 -0.696 0.000 1.240 33 L HN 0.827 nan 8.230 nan 0.000 0.427 34 G N 3.287 112.047 108.800 -0.067 0.000 2.212 34 G HA2 -0.235 3.747 3.960 0.038 0.000 0.255 34 G HA3 -0.235 3.747 3.960 0.038 0.000 0.255 34 G C -0.221 174.708 174.900 0.049 0.000 1.062 34 G CA -0.426 44.649 45.100 -0.042 0.000 0.815 34 G HN 0.474 nan 8.290 nan 0.000 0.497 35 I N 1.958 122.577 120.570 0.082 0.000 2.371 35 I HA 0.266 4.458 4.170 0.038 0.000 0.290 35 I C -1.559 174.618 176.117 0.101 0.000 1.028 35 I CA -2.271 59.057 61.300 0.046 0.000 1.345 35 I CB 1.248 39.215 38.000 -0.056 0.000 1.407 35 I HN -0.035 nan 8.210 nan 0.000 0.501 36 P HA 0.069 nan 4.420 nan 0.000 0.282 36 P C -0.214 177.013 177.300 -0.121 0.000 1.262 36 P CA -0.059 62.905 63.100 -0.228 0.000 0.773 36 P CB 0.487 32.077 31.700 -0.183 0.000 0.879 37 F N 1.390 121.179 119.950 -0.269 0.000 2.706 37 F HA 0.704 5.253 4.527 0.038 0.000 0.308 37 F C 0.125 175.918 175.800 -0.012 0.000 1.095 37 F CA -0.693 57.223 58.000 -0.140 0.000 1.244 37 F CB 0.164 38.990 39.000 -0.291 0.000 1.063 37 F HN 0.296 nan 8.300 nan 0.000 0.582 38 A N 0.208 122.717 122.820 -0.518 0.000 2.527 38 A HA 0.595 4.938 4.320 0.038 0.000 0.293 38 A C -0.776 176.644 177.584 -0.275 0.000 1.117 38 A CA -0.793 51.050 52.037 -0.324 0.000 0.723 38 A CB 0.974 19.703 19.000 -0.451 0.000 1.313 38 A HN 0.076 nan 8.150 nan 0.000 0.411 39 E N 1.206 121.325 120.200 -0.136 0.000 2.384 39 E HA 0.227 4.600 4.350 0.038 0.000 0.266 39 E C -2.314 174.192 176.600 -0.157 0.000 1.012 39 E CA -1.359 54.977 56.400 -0.106 0.000 0.901 39 E CB 0.003 29.678 29.700 -0.042 0.000 0.967 39 E HN 0.227 nan 8.360 nan 0.000 0.435 40 P HA -0.015 nan 4.420 nan 0.000 0.260 40 P C -2.253 174.981 177.300 -0.109 0.000 1.185 40 P CA -0.631 62.386 63.100 -0.137 0.000 0.763 40 P CB -0.058 31.598 31.700 -0.075 0.000 0.776 41 P HA 0.032 nan 4.420 nan 0.000 0.225 41 P C -0.537 176.697 177.300 -0.110 0.000 1.813 41 P CA 0.055 63.095 63.100 -0.100 0.000 1.013 41 P CB -0.027 31.616 31.700 -0.096 0.000 1.961 42 V N -2.227 117.630 119.914 -0.096 0.000 2.960 42 V HA 0.908 5.051 4.120 0.038 0.000 0.315 42 V C 0.911 176.957 176.094 -0.082 0.000 1.087 42 V CA 0.026 62.266 62.300 -0.100 0.000 0.982 42 V CB 1.041 32.813 31.823 -0.084 0.000 1.039 42 V HN 0.567 nan 8.190 nan 0.000 0.437 43 G N 2.863 111.613 108.800 -0.083 0.000 2.602 43 G HA2 -0.351 3.632 3.960 0.038 0.000 0.310 43 G HA3 -0.351 3.632 3.960 0.038 0.000 0.310 43 G C 1.306 176.172 174.900 -0.057 0.000 1.183 43 G CA 1.681 46.746 45.100 -0.059 0.000 0.979 43 G HN 2.372 nan 8.290 nan 0.000 0.545 44 S N 0.531 116.211 115.700 -0.032 0.000 2.515 44 S HA 0.080 4.573 4.470 0.038 0.000 0.231 44 S C 1.996 176.586 174.600 -0.018 0.000 0.987 44 S CA 1.521 59.713 58.200 -0.013 0.000 0.936 44 S CB -0.041 63.159 63.200 -0.000 0.000 0.766 44 S HN 0.690 nan 8.310 nan 0.000 0.528 45 R N 0.684 121.160 120.500 -0.041 0.000 2.297 45 R HA 0.256 4.619 4.340 0.038 0.000 0.197 45 R C 0.949 177.200 176.300 -0.081 0.000 0.943 45 R CA -0.209 55.866 56.100 -0.042 0.000 1.038 45 R CB 0.003 30.277 30.300 -0.044 0.000 0.957 45 R HN 0.365 nan 8.270 nan 0.000 0.484 46 R N 0.864 121.267 120.500 -0.162 0.000 2.570 46 R HA -0.123 4.240 4.340 0.038 0.000 0.277 46 R C -0.414 175.681 176.300 -0.342 0.000 1.039 46 R CA 0.570 56.446 56.100 -0.374 0.000 1.065 46 R CB 0.151 30.092 30.300 -0.598 0.000 0.964 46 R HN 0.117 nan 8.270 nan 0.000 0.428 47 F N -0.560 119.399 119.950 0.014 0.000 2.748 47 F HA -0.292 4.258 4.527 0.038 0.000 0.370 47 F C 0.003 175.789 175.800 -0.023 0.000 0.620 47 F CA 0.576 58.562 58.000 -0.025 0.000 1.233 47 F CB -1.565 37.411 39.000 -0.041 0.000 1.708 47 F HN 0.460 nan 8.300 nan 0.000 0.298 48 M N 1.072 120.733 119.600 0.101 0.000 2.367 48 M HA 0.414 4.916 4.480 0.038 0.000 0.339 48 M C -1.988 174.338 176.300 0.042 0.000 1.177 48 M CA -1.468 53.873 55.300 0.069 0.000 1.068 48 M CB 0.874 33.500 32.600 0.044 0.000 1.602 48 M HN -0.364 nan 8.290 nan 0.000 0.457 49 P HA 0.052 nan 4.420 nan 0.000 0.266 49 P C -2.419 174.907 177.300 0.044 0.000 1.193 49 P CA -0.418 62.713 63.100 0.051 0.000 0.770 49 P CB -0.531 31.208 31.700 0.065 0.000 0.836 50 P HA 0.176 nan 4.420 nan 0.000 0.275 50 P C -0.633 176.700 177.300 0.054 0.000 1.228 50 P CA 0.056 63.181 63.100 0.041 0.000 0.786 50 P CB 0.955 32.701 31.700 0.076 0.000 0.927 51 E N 2.805 123.022 120.200 0.028 0.000 2.202 51 E HA 0.401 4.774 4.350 0.038 0.000 0.272 51 E C -2.297 174.336 176.600 0.055 0.000 0.951 51 E CA -2.399 54.027 56.400 0.044 0.000 0.813 51 E CB 0.547 30.264 29.700 0.028 0.000 1.151 51 E HN 0.347 nan 8.360 nan 0.000 0.398 52 P HA -0.056 nan 4.420 nan 0.000 0.266 52 P C -0.754 176.608 177.300 0.105 0.000 1.195 52 P CA -0.162 63.014 63.100 0.126 0.000 0.768 52 P CB 0.405 32.181 31.700 0.127 0.000 0.838 53 K N 3.977 124.460 120.400 0.138 0.000 2.451 53 K HA 0.024 4.366 4.320 0.038 0.000 0.280 53 K C 0.043 176.748 176.600 0.175 0.000 1.020 53 K CA 0.394 56.768 56.287 0.145 0.000 1.008 53 K CB 0.074 32.703 32.500 0.215 0.000 0.917 53 K HN 0.275 nan 8.250 nan 0.000 0.478 54 R N 5.156 125.742 120.500 0.144 0.000 2.643 54 R HA 0.117 4.480 4.340 0.038 0.000 0.270 54 R C -1.977 174.427 176.300 0.172 0.000 1.061 54 R CA -1.500 54.674 56.100 0.123 0.000 1.107 54 R CB -0.074 30.284 30.300 0.097 0.000 0.999 54 R HN 0.566 nan 8.270 nan 0.000 0.460 55 P HA -0.058 nan 4.420 nan 0.000 0.269 55 P C -1.170 176.150 177.300 0.032 0.000 1.215 55 P CA 0.022 63.049 63.100 -0.122 0.000 0.780 55 P CB 0.338 31.924 31.700 -0.190 0.000 0.898 56 W N 0.734 122.069 121.300 0.057 0.000 2.820 56 W HA 0.697 5.379 4.660 0.038 0.000 0.350 56 W C -0.501 176.044 176.519 0.043 0.000 1.116 56 W CA -1.004 56.371 57.345 0.051 0.000 1.146 56 W CB -0.037 29.461 29.460 0.064 0.000 1.433 56 W HN 0.383 nan 8.180 nan 0.000 0.561 57 S N 1.321 117.193 115.700 0.287 0.000 2.652 57 S HA 0.761 5.253 4.470 0.038 0.000 0.270 57 S C 0.726 175.486 174.600 0.265 0.000 1.243 57 S CA 0.090 58.395 58.200 0.176 0.000 0.999 57 S CB 0.699 63.972 63.200 0.122 0.000 0.973 57 S HN 2.098 nan 8.310 nan 0.000 0.544 58 G N 0.084 108.984 108.800 0.166 0.000 2.578 58 G HA2 -0.196 3.786 3.960 0.038 0.000 0.275 58 G HA3 -0.196 3.786 3.960 0.038 0.000 0.275 58 G C -0.490 174.555 174.900 0.242 0.000 1.271 58 G CA -0.068 45.130 45.100 0.163 0.000 0.941 58 G HN 1.691 nan 8.290 nan 0.000 0.564 59 V N 0.669 120.695 119.914 0.186 0.000 2.347 59 V HA 0.524 4.667 4.120 0.038 0.000 0.280 59 V C 0.503 176.674 176.094 0.128 0.000 1.021 59 V CA -0.468 61.946 62.300 0.190 0.000 0.847 59 V CB 1.215 33.112 31.823 0.123 0.000 0.990 59 V HN 0.781 nan 8.190 nan 0.000 0.444 60 L N 4.300 125.586 121.223 0.105 0.000 2.360 60 L HA 0.372 4.734 4.340 0.038 0.000 0.276 60 L C 0.328 177.166 176.870 -0.054 0.000 1.121 60 L CA 0.198 54.961 54.840 -0.127 0.000 0.845 60 L CB 0.892 42.611 42.059 -0.566 0.000 1.143 60 L HN 0.758 nan 8.230 nan 0.000 0.452 61 D N 4.480 124.835 120.400 -0.074 0.000 2.342 61 D HA 0.296 4.959 4.640 0.038 0.000 0.260 61 D C -0.095 176.158 176.300 -0.078 0.000 1.278 61 D CA 0.278 54.244 54.000 -0.057 0.000 0.910 61 D CB 0.848 41.608 40.800 -0.066 0.000 1.079 61 D HN 0.615 nan 8.370 nan 0.000 0.496 62 A N 3.358 126.157 122.820 -0.035 0.000 3.213 62 A HA 0.272 4.615 4.320 0.038 0.000 0.308 62 A C 1.055 178.568 177.584 -0.118 0.000 1.177 62 A CA -0.263 51.749 52.037 -0.041 0.000 1.010 62 A CB -0.303 18.763 19.000 0.109 0.000 1.092 62 A HN 0.555 nan 8.150 nan 0.000 0.583 63 T N -3.929 110.533 114.554 -0.154 0.000 3.054 63 T HA 0.311 4.684 4.350 0.038 0.000 0.255 63 T C 0.467 175.018 174.700 -0.248 0.000 1.035 63 T CA 0.507 62.486 62.100 -0.201 0.000 0.941 63 T CB 0.163 68.943 68.868 -0.147 0.000 1.026 63 T HN 0.331 nan 8.240 nan 0.000 0.533 64 T N 0.683 115.085 114.554 -0.254 0.000 2.916 64 T HA 0.578 4.951 4.350 0.038 0.000 0.305 64 T C -1.522 173.031 174.700 -0.245 0.000 1.119 64 T CA -0.776 61.177 62.100 -0.245 0.000 1.008 64 T CB 0.685 69.468 68.868 -0.143 0.000 1.129 64 T HN 0.090 nan 8.240 nan 0.000 0.480 65 F N 3.331 123.219 119.950 -0.103 0.000 2.529 65 F HA 0.315 4.865 4.527 0.038 0.000 0.365 65 F C 1.405 177.116 175.800 -0.149 0.000 1.102 65 F CA -0.017 57.925 58.000 -0.097 0.000 1.271 65 F CB 0.608 39.579 39.000 -0.048 0.000 1.120 65 F HN 0.410 nan 8.300 nan 0.000 0.579 66 Q N 1.554 121.372 119.800 0.030 0.000 2.222 66 Q HA 0.200 4.562 4.340 0.038 0.000 0.211 66 Q C -0.135 175.809 176.000 -0.092 0.000 1.013 66 Q CA -0.701 54.977 55.803 -0.208 0.000 0.993 66 Q CB 0.565 28.911 28.738 -0.655 0.000 1.151 66 Q HN 0.506 nan 8.270 nan 0.000 0.544 67 N N -0.322 118.299 118.700 -0.131 0.000 2.416 67 N HA 0.023 4.786 4.740 0.038 0.000 0.246 67 N C -0.556 174.947 175.510 -0.011 0.000 1.260 67 N CA 0.069 53.087 53.050 -0.053 0.000 0.897 67 N CB 0.381 38.846 38.487 -0.037 0.000 1.110 67 N HN 0.175 nan 8.380 nan 0.000 0.439 68 V N 1.692 121.578 119.914 -0.047 0.000 2.649 68 V HA 0.046 4.189 4.120 0.038 0.000 0.292 68 V C 0.646 176.711 176.094 -0.047 0.000 1.055 68 V CA -0.741 61.519 62.300 -0.067 0.000 1.023 68 V CB 0.748 32.494 31.823 -0.127 0.000 0.992 68 V HN 0.701 nan 8.190 nan 0.000 0.480 69 c N 4.466 123.051 118.600 -0.025 0.000 2.657 69 c HA 0.094 4.687 4.570 0.038 0.000 0.420 69 c C 0.463 174.530 174.090 -0.037 0.000 1.323 69 c CA -0.568 55.755 56.329 -0.010 0.000 1.894 69 c CB -0.967 41.565 42.510 0.035 0.000 2.681 69 c HN 0.753 nan 8.230 nan 0.000 0.613 70 Y N 3.946 124.131 120.300 -0.192 0.000 2.632 70 Y HA 0.283 4.856 4.550 0.038 0.000 0.329 70 Y C 0.747 176.673 175.900 0.043 0.000 1.174 70 Y CA 0.977 58.959 58.100 -0.197 0.000 1.469 70 Y CB 0.144 38.288 38.460 -0.526 0.000 1.242 70 Y HN 0.752 nan 8.280 nan 0.000 0.540 71 Q N 4.245 123.967 119.800 -0.129 0.000 2.575 71 Q HA 0.220 4.582 4.340 0.038 0.000 0.290 71 Q C -1.783 174.298 176.000 0.135 0.000 0.963 71 Q CA -1.222 54.678 55.803 0.161 0.000 0.783 71 Q CB 1.348 30.159 28.738 0.121 0.000 1.467 71 Q HN 0.698 nan 8.270 nan 0.000 0.402 72 Y N 1.181 121.625 120.300 0.239 0.000 2.610 72 Y HA 0.310 4.882 4.550 0.037 0.000 0.332 72 Y C -0.989 175.045 175.900 0.222 0.000 1.201 72 Y CA 0.240 58.505 58.100 0.276 0.000 1.465 72 Y CB 0.798 39.537 38.460 0.466 0.000 1.283 72 Y HN 0.436 nan 8.280 nan 0.000 0.563 73 V N 6.697 126.273 119.914 -0.563 0.000 2.417 73 V HA 0.116 4.259 4.120 0.038 0.000 0.291 73 V C -0.474 175.187 176.094 -0.722 0.000 1.024 73 V CA -1.033 60.996 62.300 -0.452 0.000 0.861 73 V CB 1.533 33.211 31.823 -0.240 0.000 0.985 73 V HN 0.775 nan 8.190 nan 0.000 0.436 74 D N 3.332 123.534 120.400 -0.330 0.000 2.425 74 D HA 0.180 4.843 4.640 0.038 0.000 0.247 74 D C 0.912 177.196 176.300 -0.027 0.000 1.147 74 D CA 0.482 54.426 54.000 -0.094 0.000 0.879 74 D CB 1.375 42.291 40.800 0.193 0.000 1.179 74 D HN 0.752 nan 8.370 nan 0.000 0.456 75 T N 1.229 115.789 114.554 0.010 0.000 3.275 75 T HA 0.062 4.435 4.350 0.038 0.000 0.298 75 T C 1.403 176.099 174.700 -0.006 0.000 0.988 75 T CA -0.490 61.617 62.100 0.012 0.000 0.936 75 T CB -0.188 68.674 68.868 -0.009 0.000 1.159 75 T HN 0.245 nan 8.240 nan 0.000 0.519 76 L N 0.723 121.933 121.223 -0.022 0.000 2.093 76 L HA 0.274 4.636 4.340 0.038 0.000 0.208 76 L C -0.407 176.151 176.870 -0.520 0.000 1.085 76 L CA 1.501 56.153 54.840 -0.313 0.000 0.755 76 L CB -0.295 41.490 42.059 -0.457 0.000 0.904 76 L HN 0.437 nan 8.230 nan 0.000 0.435 77 Y N -0.459 119.881 120.300 0.067 0.000 2.628 77 Y HA 0.433 5.006 4.550 0.038 0.000 0.354 77 Y C -2.263 173.686 175.900 0.082 0.000 1.061 77 Y CA -3.496 54.619 58.100 0.024 0.000 1.251 77 Y CB -0.135 38.290 38.460 -0.057 0.000 1.098 77 Y HN 0.024 nan 8.280 nan 0.000 0.626 78 P HA 0.119 nan 4.420 nan 0.000 0.265 78 P C 0.997 178.367 177.300 0.115 0.000 1.193 78 P CA 1.288 64.453 63.100 0.108 0.000 0.765 78 P CB 0.794 32.528 31.700 0.057 0.000 0.823 79 G N 1.659 110.508 108.800 0.082 0.000 2.168 79 G HA2 -0.280 3.703 3.960 0.038 0.000 0.257 79 G HA3 -0.280 3.703 3.960 0.038 0.000 0.257 79 G C -0.197 174.752 174.900 0.081 0.000 0.997 79 G CA -0.253 44.878 45.100 0.051 0.000 0.708 79 G HN 0.538 nan 8.290 nan 0.000 0.520 80 F N 0.817 120.730 119.950 -0.062 0.000 2.404 80 F HA 0.694 5.243 4.527 0.037 0.000 0.354 80 F C 1.093 176.798 175.800 -0.159 0.000 1.122 80 F CA -1.312 56.604 58.000 -0.140 0.000 1.080 80 F CB 1.702 40.595 39.000 -0.180 0.000 1.131 80 F HN 0.002 nan 8.300 nan 0.000 0.471 81 E N 3.612 123.354 120.200 -0.763 0.000 2.204 81 E HA -0.021 4.352 4.350 0.038 0.000 0.195 81 E C 2.134 178.236 176.600 -0.830 0.000 0.990 81 E CA 1.669 57.673 56.400 -0.659 0.000 0.821 81 E CB -0.399 29.005 29.700 -0.493 0.000 0.750 81 E HN 0.899 nan 8.360 nan 0.000 0.477 82 G N -0.812 107.006 108.800 -1.638 0.000 2.443 82 G HA2 -0.240 3.743 3.960 0.038 0.000 0.219 82 G HA3 -0.240 3.743 3.960 0.038 0.000 0.219 82 G C 1.611 176.495 174.900 -0.026 0.000 1.131 82 G CA 1.501 45.972 45.100 -1.048 0.000 0.775 82 G HN 0.476 nan 8.290 nan 0.000 0.547 83 T N -2.307 112.223 114.554 -0.041 0.000 3.042 83 T HA 0.144 4.516 4.350 0.038 0.000 0.245 83 T C 1.868 176.708 174.700 0.233 0.000 1.029 83 T CA 0.553 62.940 62.100 0.478 0.000 1.120 83 T CB 0.086 69.315 68.868 0.602 0.000 0.917 83 T HN 0.075 nan 8.240 nan 0.000 0.467 84 E N 2.234 122.427 120.200 -0.011 0.000 2.204 84 E HA -0.060 4.313 4.350 0.038 0.000 0.194 84 E C 2.192 178.684 176.600 -0.181 0.000 0.989 84 E CA 1.155 57.512 56.400 -0.072 0.000 0.824 84 E CB -0.449 29.180 29.700 -0.119 0.000 0.756 84 E HN 0.797 nan 8.360 nan 0.000 0.477 85 M N -2.566 116.824 119.600 -0.350 0.000 2.549 85 M HA -0.047 4.456 4.480 0.038 0.000 0.260 85 M C 1.109 176.986 176.300 -0.706 0.000 1.076 85 M CA 1.305 56.246 55.300 -0.599 0.000 1.090 85 M CB -0.439 31.670 32.600 -0.819 0.000 1.418 85 M HN -0.000 nan 8.290 nan 0.000 0.486 86 W N 0.571 121.805 121.300 -0.112 0.000 3.103 86 W HA 0.312 4.994 4.660 0.037 0.000 0.325 86 W C 0.229 176.673 176.519 -0.125 0.000 1.170 86 W CA -1.021 56.248 57.345 -0.128 0.000 1.712 86 W CB 0.015 29.455 29.460 -0.034 0.000 1.068 86 W HN 0.075 nan 8.180 nan 0.000 0.592 87 N N 1.804 120.541 118.700 0.062 0.000 2.503 87 N HA 0.155 4.918 4.740 0.038 0.000 0.267 87 N C -2.443 173.014 175.510 -0.087 0.000 1.214 87 N CA -1.542 51.505 53.050 -0.004 0.000 0.959 87 N CB -0.139 38.340 38.487 -0.013 0.000 1.142 87 N HN -0.337 nan 8.380 nan 0.000 0.455 88 P HA 0.038 nan 4.420 nan 0.000 0.262 88 P C 0.227 177.445 177.300 -0.135 0.000 1.182 88 P CA 0.077 63.093 63.100 -0.141 0.000 0.761 88 P CB 0.292 31.905 31.700 -0.145 0.000 0.795 89 N N 2.265 120.872 118.700 -0.155 0.000 2.187 89 N HA 0.071 4.834 4.740 0.038 0.000 0.212 89 N C 0.208 175.652 175.510 -0.110 0.000 1.152 89 N CA 0.034 53.001 53.050 -0.138 0.000 0.872 89 N CB 0.404 38.790 38.487 -0.167 0.000 1.025 89 N HN 0.153 nan 8.380 nan 0.000 0.514 90 R N 0.142 120.577 120.500 -0.109 0.000 2.905 90 R HA 0.356 4.719 4.340 0.038 0.000 0.260 90 R C -0.142 176.111 176.300 -0.078 0.000 1.086 90 R CA -0.644 55.410 56.100 -0.077 0.000 0.978 90 R CB 0.670 30.933 30.300 -0.061 0.000 1.215 90 R HN 0.101 nan 8.270 nan 0.000 0.480 91 E N 1.459 121.622 120.200 -0.061 0.000 2.413 91 E HA 0.073 4.446 4.350 0.038 0.000 0.263 91 E C -0.030 176.533 176.600 -0.062 0.000 1.015 91 E CA 0.086 56.453 56.400 -0.055 0.000 0.916 91 E CB 0.565 30.243 29.700 -0.037 0.000 0.947 91 E HN 0.259 nan 8.360 nan 0.000 0.440 92 L N 1.867 123.045 121.223 -0.074 0.000 2.380 92 L HA 0.188 4.551 4.340 0.038 0.000 0.273 92 L C 0.675 177.577 176.870 0.053 0.000 1.138 92 L CA 0.150 54.934 54.840 -0.094 0.000 0.832 92 L CB 0.882 42.749 42.059 -0.319 0.000 1.124 92 L HN 0.385 nan 8.230 nan 0.000 0.454 93 S N 1.041 116.784 115.700 0.072 0.000 2.552 93 S HA 0.204 4.697 4.470 0.038 0.000 0.272 93 S C 0.230 174.827 174.600 -0.006 0.000 1.150 93 S CA -0.666 57.575 58.200 0.070 0.000 0.849 93 S CB 1.626 64.838 63.200 0.020 0.000 1.113 93 S HN 0.735 nan 8.310 nan 0.000 0.458 94 E N 0.850 120.980 120.200 -0.115 0.000 2.208 94 E HA -0.057 4.316 4.350 0.038 0.000 0.193 94 E C -0.296 176.237 176.600 -0.111 0.000 0.988 94 E CA 0.459 56.730 56.400 -0.215 0.000 0.828 94 E CB 0.084 29.594 29.700 -0.316 0.000 0.763 94 E HN 0.544 nan 8.360 nan 0.000 0.478 95 D N 0.496 120.867 120.400 -0.049 0.000 2.416 95 D HA -0.020 4.643 4.640 0.038 0.000 0.240 95 D C 0.025 176.403 176.300 0.129 0.000 1.250 95 D CA -0.159 53.851 54.000 0.016 0.000 0.967 95 D CB 0.069 40.895 40.800 0.043 0.000 1.059 95 D HN 0.157 nan 8.370 nan 0.000 0.512 96 c N 2.700 121.354 118.600 0.088 0.000 3.935 96 c HA 0.359 4.951 4.570 0.038 0.000 0.301 96 c C 0.523 174.694 174.090 0.135 0.000 1.874 96 c CA -0.674 55.772 56.329 0.196 0.000 1.723 96 c CB -1.214 41.349 42.510 0.088 0.000 3.192 96 c HN 0.443 nan 8.230 nan 0.000 0.577 97 L N 2.596 123.639 121.223 -0.300 0.000 2.387 97 L HA 0.441 4.803 4.340 0.038 0.000 0.267 97 L C -1.011 175.236 176.870 -1.039 0.000 1.197 97 L CA 0.401 54.852 54.840 -0.648 0.000 1.070 97 L CB -0.525 41.019 42.059 -0.858 0.000 1.349 97 L HN 0.393 nan 8.230 nan 0.000 0.422 98 Y N 1.924 122.194 120.300 -0.051 0.000 2.553 98 Y HA 0.626 5.199 4.550 0.038 0.000 0.347 98 Y C -0.152 175.915 175.900 0.280 0.000 1.019 98 Y CA -1.262 56.884 58.100 0.077 0.000 1.032 98 Y CB 2.032 40.496 38.460 0.007 0.000 1.284 98 Y HN 0.201 nan 8.280 nan 0.000 0.466 99 L N -0.057 121.336 121.223 0.284 0.000 2.309 99 L HA 0.783 5.146 4.340 0.038 0.000 0.261 99 L C -1.270 175.604 176.870 0.007 0.000 1.021 99 L CA -1.129 53.770 54.840 0.098 0.000 0.823 99 L CB 1.796 43.751 42.059 -0.173 0.000 1.366 99 L HN 0.472 nan 8.230 nan 0.000 0.423 100 N N 0.394 119.104 118.700 0.017 0.000 2.238 100 N HA 0.719 5.481 4.740 0.038 0.000 0.302 100 N C -1.485 173.928 175.510 -0.162 0.000 1.072 100 N CA -0.405 52.569 53.050 -0.128 0.000 0.792 100 N CB 2.846 41.285 38.487 -0.080 0.000 1.425 100 N HN 0.515 nan 8.380 nan 0.000 0.478 101 V N 1.479 121.222 119.914 -0.285 0.000 2.588 101 V HA 0.482 4.624 4.120 0.038 0.000 0.304 101 V C -0.813 175.217 176.094 -0.107 0.000 1.042 101 V CA -0.796 61.437 62.300 -0.113 0.000 0.877 101 V CB 2.353 33.997 31.823 -0.298 0.000 0.996 101 V HN 0.552 nan 8.190 nan 0.000 0.425 102 W N 2.834 124.241 121.300 0.178 0.000 2.587 102 W HA 0.670 5.353 4.660 0.038 0.000 0.324 102 W C 0.142 176.779 176.519 0.198 0.000 1.040 102 W CA -0.425 57.027 57.345 0.178 0.000 1.222 102 W CB 2.445 31.984 29.460 0.131 0.000 1.381 102 W HN 0.670 nan 8.180 nan 0.000 0.483 103 T N 0.215 115.032 114.554 0.439 0.000 2.901 103 T HA 0.556 4.929 4.350 0.038 0.000 0.293 103 T C -2.839 172.036 174.700 0.292 0.000 1.084 103 T CA -2.543 59.767 62.100 0.350 0.000 1.008 103 T CB 2.297 71.397 68.868 0.386 0.000 1.170 103 T HN -0.079 nan 8.240 nan 0.000 0.509 104 P HA 0.176 nan 4.420 nan 0.000 0.267 104 P C -1.551 175.883 177.300 0.223 0.000 1.200 104 P CA -0.106 63.109 63.100 0.191 0.000 0.772 104 P CB 0.008 31.790 31.700 0.136 0.000 0.855 105 Y N 4.552 124.904 120.300 0.087 0.000 2.334 105 Y HA 0.412 4.985 4.550 0.038 0.000 0.336 105 Y C -2.027 173.904 175.900 0.053 0.000 0.960 105 Y CA -2.488 55.654 58.100 0.071 0.000 1.164 105 Y CB 0.999 39.486 38.460 0.045 0.000 1.155 105 Y HN 0.353 nan 8.280 nan 0.000 0.478 106 P HA 0.149 nan 4.420 nan 0.000 0.274 106 P C -1.096 176.153 177.300 -0.084 0.000 1.246 106 P CA -0.532 62.366 63.100 -0.338 0.000 0.795 106 P CB 0.986 32.532 31.700 -0.256 0.000 1.006 107 R N 0.858 121.324 120.500 -0.057 0.000 2.694 107 R HA 0.310 4.672 4.340 0.038 0.000 0.268 107 R C -2.200 174.124 176.300 0.040 0.000 1.061 107 R CA -1.328 54.804 56.100 0.053 0.000 1.133 107 R CB -1.232 29.122 30.300 0.090 0.000 1.020 107 R HN 0.264 nan 8.270 nan 0.000 0.475 108 P HA -0.058 nan 4.420 nan 0.000 0.262 108 P C -0.181 177.136 177.300 0.029 0.000 1.182 108 P CA 0.493 63.624 63.100 0.052 0.000 0.761 108 P CB 0.945 32.686 31.700 0.069 0.000 0.795 109 A N 2.897 125.727 122.820 0.017 0.000 1.969 109 A HA -0.006 4.336 4.320 0.038 0.000 0.218 109 A C 0.948 178.536 177.584 0.007 0.000 1.169 109 A CA 1.537 53.577 52.037 0.006 0.000 0.635 109 A CB -0.559 18.443 19.000 0.003 0.000 0.810 109 A HN 0.619 nan 8.150 nan 0.000 0.445 110 S N -1.507 114.200 115.700 0.012 0.000 2.599 110 S HA 0.635 5.127 4.470 0.038 0.000 0.294 110 S C -3.291 171.319 174.600 0.016 0.000 1.094 110 S CA -1.911 56.295 58.200 0.009 0.000 0.931 110 S CB 1.387 64.590 63.200 0.004 0.000 1.093 110 S HN -0.033 nan 8.310 nan 0.000 0.488 111 P HA 0.206 nan 4.420 nan 0.000 0.260 111 P C -0.644 176.667 177.300 0.019 0.000 1.185 111 P CA 0.338 63.449 63.100 0.018 0.000 0.763 111 P CB 0.100 31.802 31.700 0.003 0.000 0.776 112 T N 5.706 120.282 114.554 0.037 0.000 2.859 112 T HA 0.426 4.799 4.350 0.038 0.000 0.281 112 T C -2.425 172.296 174.700 0.035 0.000 1.005 112 T CA -1.911 60.211 62.100 0.037 0.000 1.025 112 T CB 0.831 69.735 68.868 0.060 0.000 0.977 112 T HN 0.146 nan 8.240 nan 0.000 0.458 113 P HA 0.150 nan 4.420 nan 0.000 0.265 113 P C -0.905 176.423 177.300 0.046 0.000 1.187 113 P CA -0.224 62.883 63.100 0.011 0.000 0.766 113 P CB 0.344 32.033 31.700 -0.017 0.000 0.820 114 V N 4.910 124.865 119.914 0.069 0.000 2.435 114 V HA 0.328 4.471 4.120 0.038 0.000 0.290 114 V C 0.337 176.502 176.094 0.119 0.000 1.030 114 V CA -0.523 61.843 62.300 0.111 0.000 0.881 114 V CB 1.253 33.156 31.823 0.134 0.000 0.983 114 V HN 0.357 nan 8.190 nan 0.000 0.445 115 L N 5.777 127.082 121.223 0.137 0.000 2.296 115 L HA 0.599 4.962 4.340 0.038 0.000 0.286 115 L C -0.619 176.475 176.870 0.373 0.000 1.023 115 L CA -0.283 54.653 54.840 0.159 0.000 0.812 115 L CB 1.653 43.666 42.059 -0.077 0.000 1.223 115 L HN 0.499 nan 8.230 nan 0.000 0.421 116 I N 2.998 123.833 120.570 0.442 0.000 2.355 116 I HA 0.206 4.398 4.170 0.038 0.000 0.288 116 I C -0.656 175.780 176.117 0.532 0.000 0.999 116 I CA -0.407 61.144 61.300 0.418 0.000 1.163 116 I CB 1.321 39.437 38.000 0.194 0.000 1.316 116 I HN 0.628 nan 8.210 nan 0.000 0.454 117 W N 8.592 130.037 121.300 0.241 0.000 2.351 117 W HA 0.557 5.239 4.660 0.037 0.000 0.311 117 W C -1.483 174.954 176.519 -0.136 0.000 1.168 117 W CA -0.602 56.643 57.345 -0.165 0.000 1.200 117 W CB 1.146 30.527 29.460 -0.131 0.000 1.221 117 W HN 0.359 nan 8.180 nan 0.000 0.519 118 I N 9.135 129.099 120.570 -1.010 0.000 2.382 118 I HA 0.080 4.273 4.170 0.038 0.000 0.285 118 I C -0.212 175.125 176.117 -1.300 0.000 1.007 118 I CA -1.123 59.648 61.300 -0.882 0.000 1.142 118 I CB 0.672 38.318 38.000 -0.590 0.000 1.289 118 I HN 0.301 nan 8.210 nan 0.000 0.453 119 Y N 4.544 124.347 120.300 -0.827 0.000 2.426 119 Y HA 0.659 5.231 4.550 0.037 0.000 0.344 119 Y C 0.786 176.491 175.900 -0.326 0.000 1.256 119 Y CA -0.732 56.976 58.100 -0.652 0.000 1.451 119 Y CB -0.045 38.259 38.460 -0.259 0.000 1.342 119 Y HN 0.522 nan 8.280 nan 0.000 0.600 120 G N -0.923 107.850 108.800 -0.045 0.000 2.583 120 G HA2 0.493 4.475 3.960 0.038 0.000 0.280 120 G HA3 0.493 4.475 3.960 0.038 0.000 0.280 120 G C 0.302 175.137 174.900 -0.109 0.000 1.376 120 G CA -0.936 44.086 45.100 -0.130 0.000 1.043 120 G HN 1.712 nan 8.290 nan 0.000 0.538 121 G N -2.914 105.659 108.800 -0.379 0.000 2.207 121 G HA2 0.403 4.386 3.960 0.038 0.000 0.193 121 G HA3 0.403 4.386 3.960 0.038 0.000 0.193 121 G C 1.047 175.340 174.900 -1.013 0.000 1.050 121 G CA 0.748 45.483 45.100 -0.608 0.000 0.780 121 G HN 2.353 nan 8.290 nan 0.000 0.504 122 G N -0.416 107.821 108.800 -0.938 0.000 2.168 122 G HA2 -0.124 3.859 3.960 0.038 0.000 0.257 122 G HA3 -0.124 3.859 3.960 0.038 0.000 0.257 122 G C 0.898 175.518 174.900 -0.466 0.000 0.997 122 G CA 0.721 45.087 45.100 -1.223 0.000 0.708 122 G HN 1.764 nan 8.290 nan 0.000 0.520 123 F N -3.221 116.595 119.950 -0.224 0.000 2.935 123 F HA -0.325 4.224 4.527 0.038 0.000 0.317 123 F C 1.460 177.334 175.800 0.125 0.000 0.699 123 F CA 2.137 60.122 58.000 -0.025 0.000 1.127 123 F CB -2.155 36.657 39.000 -0.312 0.000 1.491 123 F HN 0.903 nan 8.300 nan 0.000 0.337 124 Y N -1.058 119.314 120.300 0.120 0.000 2.500 124 Y HA 0.652 5.224 4.550 0.037 0.000 0.246 124 Y C 0.607 176.615 175.900 0.180 0.000 1.146 124 Y CA 0.167 58.367 58.100 0.166 0.000 1.230 124 Y CB 0.008 38.515 38.460 0.077 0.000 1.214 124 Y HN 0.103 nan 8.280 nan 0.000 0.526 125 S N -0.900 114.610 115.700 -0.316 0.000 2.672 125 S HA 0.869 5.361 4.470 0.038 0.000 0.271 125 S C -0.217 174.228 174.600 -0.259 0.000 1.171 125 S CA -0.472 57.581 58.200 -0.246 0.000 0.817 125 S CB 1.468 64.460 63.200 -0.347 0.000 1.150 125 S HN 1.377 nan 8.310 nan 0.000 0.478 126 G N -0.620 107.992 108.800 -0.314 0.000 2.440 126 G HA2 0.559 4.541 3.960 0.038 0.000 0.684 126 G HA3 0.559 4.541 3.960 0.038 0.000 0.684 126 G C -0.656 173.626 174.900 -1.031 0.000 1.309 126 G CA -0.253 44.475 45.100 -0.620 0.000 0.931 126 G HN 2.307 nan 8.290 nan 0.000 0.612 127 A N -1.250 120.802 122.820 -1.280 0.000 2.594 127 A HA 0.980 5.323 4.320 0.038 0.000 0.296 127 A C 0.515 177.914 177.584 -0.307 0.000 1.056 127 A CA 0.690 52.257 52.037 -0.782 0.000 0.693 127 A CB 0.797 19.578 19.000 -0.365 0.000 1.278 127 A HN 2.593 nan 8.150 nan 0.000 0.408 128 A N 0.428 123.291 122.820 0.072 0.000 2.238 128 A HA 0.284 4.626 4.320 0.038 0.000 0.208 128 A C 1.643 179.248 177.584 0.036 0.000 1.177 128 A CA 1.679 53.918 52.037 0.338 0.000 0.804 128 A CB -0.590 18.681 19.000 0.451 0.000 0.823 128 A HN 1.773 nan 8.150 nan 0.000 0.482 129 S N -0.450 115.028 115.700 -0.371 0.000 2.593 129 S HA 0.287 4.779 4.470 0.038 0.000 0.217 129 S C 0.516 174.697 174.600 -0.698 0.000 0.966 129 S CA -0.392 57.130 58.200 -1.130 0.000 0.914 129 S CB -0.533 62.058 63.200 -1.016 0.000 0.776 129 S HN 0.400 nan 8.310 nan 0.000 0.523 130 L N 2.448 123.419 121.223 -0.419 0.000 2.456 130 L HA 0.153 4.516 4.340 0.038 0.000 0.272 130 L C 1.058 177.614 176.870 -0.524 0.000 1.189 130 L CA -0.459 54.077 54.840 -0.507 0.000 0.846 130 L CB 0.243 41.874 42.059 -0.712 0.000 1.111 130 L HN 0.058 nan 8.230 nan 0.000 0.475 131 D N 1.302 121.433 120.400 -0.447 0.000 2.182 131 D HA -0.139 4.523 4.640 0.038 0.000 0.201 131 D C 1.974 178.021 176.300 -0.423 0.000 0.986 131 D CA 1.180 54.981 54.000 -0.332 0.000 0.847 131 D CB 0.029 40.668 40.800 -0.269 0.000 0.942 131 D HN 0.519 nan 8.370 nan 0.000 0.467 132 V N -1.197 118.318 119.914 -0.664 0.000 2.913 132 V HA -0.163 3.980 4.120 0.038 0.000 0.260 132 V C 1.196 176.734 176.094 -0.926 0.000 1.098 132 V CA 1.017 62.884 62.300 -0.721 0.000 1.121 132 V CB -1.144 30.203 31.823 -0.793 0.000 0.714 132 V HN 0.075 nan 8.190 nan 0.000 0.487 133 Y N 0.240 120.010 120.300 -0.882 0.000 2.571 133 Y HA 0.427 5.000 4.550 0.037 0.000 0.275 133 Y C 0.869 176.221 175.900 -0.913 0.000 1.179 133 Y CA -1.904 55.329 58.100 -1.446 0.000 1.242 133 Y CB -0.855 37.127 38.460 -0.797 0.000 1.126 133 Y HN 0.224 nan 8.280 nan 0.000 0.524 134 D N 0.866 120.997 120.400 -0.449 0.000 2.412 134 D HA 0.031 4.693 4.640 0.038 0.000 0.257 134 D C 1.357 177.387 176.300 -0.450 0.000 1.217 134 D CA 0.478 54.285 54.000 -0.322 0.000 0.897 134 D CB 1.344 42.094 40.800 -0.083 0.000 1.132 134 D HN 0.472 nan 8.370 nan 0.000 0.493 135 G N 3.894 111.859 108.800 -1.392 0.000 2.920 135 G HA2 -0.155 3.827 3.960 0.038 0.000 0.208 135 G HA3 -0.155 3.827 3.960 0.038 0.000 0.208 135 G C 1.490 175.857 174.900 -0.888 0.000 1.159 135 G CA 0.189 44.645 45.100 -1.073 0.000 0.784 135 G HN 0.620 nan 8.290 nan 0.000 0.535 136 R N -0.717 119.196 120.500 -0.978 0.000 2.120 136 R HA 0.019 4.382 4.340 0.038 0.000 0.234 136 R C 1.657 177.697 176.300 -0.432 0.000 1.123 136 R CA 1.136 56.888 56.100 -0.580 0.000 0.975 136 R CB -0.623 29.355 30.300 -0.536 0.000 0.866 136 R HN 0.302 nan 8.270 nan 0.000 0.446 137 F N 1.491 121.344 119.950 -0.162 0.000 2.128 137 F HA 0.031 4.581 4.527 0.039 0.000 0.295 137 F C 2.261 178.001 175.800 -0.100 0.000 1.100 137 F CA 0.896 58.828 58.000 -0.113 0.000 1.260 137 F CB -0.536 38.386 39.000 -0.129 0.000 1.009 137 F HN -0.133 nan 8.300 nan 0.000 0.476 138 L N -0.141 121.115 121.223 0.056 0.000 2.046 138 L HA -0.218 4.145 4.340 0.038 0.000 0.208 138 L C 2.738 179.616 176.870 0.013 0.000 1.077 138 L CA 1.192 56.023 54.840 -0.014 0.000 0.747 138 L CB -1.029 40.976 42.059 -0.091 0.000 0.896 138 L HN 0.176 nan 8.230 nan 0.000 0.432 139 A N -0.845 121.988 122.820 0.023 0.000 1.865 139 A HA -0.268 4.075 4.320 0.038 0.000 0.217 139 A C 2.305 179.930 177.584 0.069 0.000 1.191 139 A CA 1.825 53.912 52.037 0.083 0.000 0.623 139 A CB -0.579 18.514 19.000 0.155 0.000 0.826 139 A HN 0.417 nan 8.150 nan 0.000 0.444 140 Q N -0.264 119.558 119.800 0.036 0.000 2.049 140 Q HA -0.077 4.286 4.340 0.038 0.000 0.198 140 Q C 2.204 178.229 176.000 0.043 0.000 0.971 140 Q CA 2.032 57.858 55.803 0.039 0.000 0.833 140 Q CB -0.261 28.477 28.738 0.001 0.000 0.896 140 Q HN 0.413 nan 8.270 nan 0.000 0.434 141 V N 1.191 121.129 119.914 0.041 0.000 2.446 141 V HA -0.105 4.038 4.120 0.038 0.000 0.244 141 V C 1.799 177.906 176.094 0.022 0.000 1.039 141 V CA 1.500 63.820 62.300 0.033 0.000 1.045 141 V CB -0.149 31.695 31.823 0.035 0.000 0.681 141 V HN 0.235 nan 8.190 nan 0.000 0.459 142 E N -0.201 120.010 120.200 0.019 0.000 2.472 142 E HA 0.191 4.564 4.350 0.038 0.000 0.196 142 E C 1.668 178.283 176.600 0.026 0.000 1.033 142 E CA 0.737 57.144 56.400 0.013 0.000 0.886 142 E CB 0.496 30.195 29.700 -0.002 0.000 0.944 142 E HN 0.592 nan 8.360 nan 0.000 0.492 143 G N 1.661 110.486 108.800 0.042 0.000 2.176 143 G HA2 -0.289 3.693 3.960 0.038 0.000 0.252 143 G HA3 -0.289 3.693 3.960 0.038 0.000 0.252 143 G C 0.423 175.363 174.900 0.066 0.000 1.024 143 G CA 0.386 45.520 45.100 0.057 0.000 0.755 143 G HN 0.468 nan 8.290 nan 0.000 0.507 144 A N -0.793 122.067 122.820 0.066 0.000 2.302 144 A HA 0.762 5.105 4.320 0.038 0.000 0.285 144 A C 0.427 178.087 177.584 0.128 0.000 1.105 144 A CA -0.122 51.959 52.037 0.073 0.000 0.816 144 A CB 1.420 20.443 19.000 0.039 0.000 1.067 144 A HN 1.110 nan 8.150 nan 0.000 0.489 145 V N 2.897 122.894 119.914 0.138 0.000 2.348 145 V HA 0.303 4.445 4.120 0.038 0.000 0.270 145 V C -0.112 176.110 176.094 0.213 0.000 1.037 145 V CA -0.022 62.392 62.300 0.188 0.000 0.872 145 V CB 0.596 32.520 31.823 0.168 0.000 1.002 145 V HN 0.712 nan 8.190 nan 0.000 0.464 146 L N 6.624 128.031 121.223 0.307 0.000 2.307 146 L HA 0.737 5.100 4.340 0.038 0.000 0.284 146 L C -0.719 176.443 176.870 0.488 0.000 1.023 146 L CA -0.200 54.871 54.840 0.386 0.000 0.810 146 L CB 1.730 44.013 42.059 0.373 0.000 1.231 146 L HN 0.426 nan 8.230 nan 0.000 0.423 147 V N 3.199 123.375 119.914 0.436 0.000 2.680 147 V HA 0.719 4.861 4.120 0.038 0.000 0.309 147 V C -0.473 175.886 176.094 0.443 0.000 1.052 147 V CA -0.440 62.077 62.300 0.361 0.000 0.908 147 V CB 1.990 33.944 31.823 0.219 0.000 1.001 147 V HN 0.859 nan 8.190 nan 0.000 0.431 148 S N 4.920 120.871 115.700 0.419 0.000 2.540 148 S HA 0.878 5.370 4.470 0.038 0.000 0.275 148 S C -0.880 173.887 174.600 0.278 0.000 1.123 148 S CA -0.824 57.631 58.200 0.425 0.000 0.907 148 S CB 2.275 65.858 63.200 0.638 0.000 1.081 148 S HN 0.897 nan 8.310 nan 0.000 0.476 149 M N 1.360 121.090 119.600 0.217 0.000 2.591 149 M HA 0.645 5.148 4.480 0.038 0.000 0.306 149 M C -1.757 174.758 176.300 0.359 0.000 1.190 149 M CA -0.554 54.864 55.300 0.196 0.000 0.889 149 M CB 1.256 33.812 32.600 -0.074 0.000 1.728 149 M HN 0.551 nan 8.290 nan 0.000 0.458 150 N N 2.785 121.752 118.700 0.445 0.000 2.514 150 N HA 0.531 5.294 4.740 0.038 0.000 0.277 150 N C -1.424 174.360 175.510 0.457 0.000 1.126 150 N CA 0.115 53.441 53.050 0.460 0.000 0.978 150 N CB 0.491 39.187 38.487 0.348 0.000 1.106 150 N HN 0.702 nan 8.380 nan 0.000 0.461 151 Y N -1.421 119.047 120.300 0.280 0.000 2.512 151 Y HA 0.580 5.153 4.550 0.037 0.000 0.348 151 Y C 0.030 176.071 175.900 0.235 0.000 0.990 151 Y CA -1.338 56.885 58.100 0.205 0.000 1.033 151 Y CB 0.961 39.471 38.460 0.085 0.000 1.259 151 Y HN 0.197 nan 8.280 nan 0.000 0.461 152 R N 1.991 122.655 120.500 0.273 0.000 2.537 152 R HA 0.467 4.830 4.340 0.038 0.000 0.280 152 R C -0.390 176.099 176.300 0.314 0.000 1.058 152 R CA -0.141 56.077 56.100 0.197 0.000 1.057 152 R CB 0.804 31.176 30.300 0.121 0.000 0.973 152 R HN 0.731 nan 8.270 nan 0.000 0.438 153 V N -0.354 119.770 119.914 0.350 0.000 3.126 153 V HA 0.898 5.040 4.120 0.038 0.000 0.314 153 V C 0.634 177.048 176.094 0.533 0.000 1.138 153 V CA -0.128 62.482 62.300 0.517 0.000 1.034 153 V CB 1.295 33.307 31.823 0.314 0.000 1.075 153 V HN 0.982 nan 8.190 nan 0.000 0.442 154 G N 1.882 111.019 108.800 0.562 0.000 2.569 154 G HA2 -0.248 3.734 3.960 0.038 0.000 0.259 154 G HA3 -0.248 3.734 3.960 0.038 0.000 0.259 154 G C 0.960 175.983 174.900 0.204 0.000 1.263 154 G CA 1.211 46.550 45.100 0.399 0.000 0.928 154 G HN 2.393 nan 8.290 nan 0.000 0.572 155 T N -1.833 112.545 114.554 -0.293 0.000 2.699 155 T HA -0.141 4.232 4.350 0.038 0.000 0.268 155 T C 2.113 176.673 174.700 -0.234 0.000 1.036 155 T CA 2.666 64.349 62.100 -0.696 0.000 1.147 155 T CB -0.415 67.888 68.868 -0.942 0.000 0.862 155 T HN 0.642 nan 8.240 nan 0.000 0.446 156 F N 2.138 122.151 119.950 0.105 0.000 2.269 156 F HA 0.235 4.785 4.527 0.038 0.000 0.301 156 F C 2.698 178.508 175.800 0.017 0.000 1.082 156 F CA 0.730 58.753 58.000 0.038 0.000 1.360 156 F CB -0.874 38.120 39.000 -0.011 0.000 1.041 156 F HN 0.390 nan 8.300 nan 0.000 0.512 157 G N -2.254 106.630 108.800 0.140 0.000 2.709 157 G HA2 0.048 4.030 3.960 0.038 0.000 0.208 157 G HA3 0.048 4.030 3.960 0.038 0.000 0.208 157 G C 0.894 175.342 174.900 -0.753 0.000 1.129 157 G CA 0.207 45.141 45.100 -0.276 0.000 0.793 157 G HN 0.339 nan 8.290 nan 0.000 0.524 158 F N -0.695 119.337 119.950 0.138 0.000 2.915 158 F HA 0.421 4.971 4.527 0.038 0.000 0.347 158 F C 0.449 176.319 175.800 0.117 0.000 1.104 158 F CA -0.958 57.103 58.000 0.102 0.000 1.126 158 F CB 0.380 39.450 39.000 0.115 0.000 1.145 158 F HN -0.090 nan 8.300 nan 0.000 0.541 159 L N 2.294 123.569 121.223 0.087 0.000 2.584 159 L HA 0.467 4.830 4.340 0.038 0.000 0.272 159 L C 0.023 176.848 176.870 -0.076 0.000 1.195 159 L CA 0.094 54.882 54.840 -0.088 0.000 0.920 159 L CB 0.170 41.881 42.059 -0.580 0.000 1.173 159 L HN 0.132 nan 8.230 nan 0.000 0.489 160 A N 6.300 129.126 122.820 0.010 0.000 2.386 160 A HA 0.708 5.051 4.320 0.038 0.000 0.311 160 A C -1.004 176.553 177.584 -0.044 0.000 1.068 160 A CA -0.612 51.412 52.037 -0.022 0.000 0.743 160 A CB 1.318 20.335 19.000 0.029 0.000 1.258 160 A HN 0.716 nan 8.150 nan 0.000 0.429 161 L N 3.150 124.335 121.223 -0.063 0.000 2.435 161 L HA 0.315 4.677 4.340 0.038 0.000 0.253 161 L C -2.469 174.386 176.870 -0.024 0.000 1.087 161 L CA -1.793 53.017 54.840 -0.048 0.000 0.950 161 L CB 1.574 43.591 42.059 -0.070 0.000 1.304 161 L HN 0.412 nan 8.230 nan 0.000 0.453 162 P HA 0.073 nan 4.420 nan 0.000 0.262 162 P C 0.962 178.262 177.300 -0.001 0.000 1.182 162 P CA 0.755 63.855 63.100 -0.001 0.000 0.761 162 P CB 0.896 32.596 31.700 0.000 0.000 0.795 163 G N 1.771 110.575 108.800 0.006 0.000 2.195 163 G HA2 -0.231 3.752 3.960 0.038 0.000 0.246 163 G HA3 -0.231 3.752 3.960 0.038 0.000 0.246 163 G C 0.345 175.248 174.900 0.006 0.000 0.984 163 G CA 0.242 45.346 45.100 0.007 0.000 0.633 163 G HN 0.797 nan 8.290 nan 0.000 0.525 164 S N -0.469 115.233 115.700 0.003 0.000 2.617 164 S HA 0.655 5.148 4.470 0.038 0.000 0.269 164 S C 1.262 175.870 174.600 0.013 0.000 1.292 164 S CA 0.128 58.330 58.200 0.003 0.000 1.010 164 S CB 1.597 64.793 63.200 -0.008 0.000 0.944 164 S HN 0.422 nan 8.310 nan 0.000 0.536 165 R N 0.772 121.282 120.500 0.017 0.000 2.161 165 R HA 0.037 4.400 4.340 0.038 0.000 0.213 165 R C 1.550 177.870 176.300 0.035 0.000 1.055 165 R CA 1.027 57.142 56.100 0.026 0.000 0.996 165 R CB -0.104 30.210 30.300 0.024 0.000 0.901 165 R HN 0.844 nan 8.270 nan 0.000 0.456 166 E N 0.180 120.401 120.200 0.035 0.000 2.431 166 E HA 0.109 4.481 4.350 0.038 0.000 0.200 166 E C 0.156 176.804 176.600 0.081 0.000 0.995 166 E CA 0.261 56.697 56.400 0.059 0.000 0.915 166 E CB 0.874 30.610 29.700 0.060 0.000 0.930 166 E HN 0.138 nan 8.360 nan 0.000 0.496 167 A N 2.607 125.446 122.820 0.032 0.000 3.409 167 A HA 0.346 4.689 4.320 0.038 0.000 0.282 167 A C -2.179 175.401 177.584 -0.006 0.000 1.064 167 A CA -0.943 51.096 52.037 0.003 0.000 0.889 167 A CB 0.888 19.799 19.000 -0.148 0.000 1.251 167 A HN -0.065 nan 8.150 nan 0.000 0.538 168 P HA 0.186 nan 4.420 nan 0.000 0.231 168 P C 0.868 178.181 177.300 0.022 0.000 1.168 168 P CA 1.596 64.710 63.100 0.023 0.000 0.779 168 P CB 0.274 31.997 31.700 0.038 0.000 0.844 169 G N 0.851 109.660 108.800 0.015 0.000 2.699 169 G HA2 -0.164 3.819 3.960 0.038 0.000 0.686 169 G HA3 -0.164 3.819 3.960 0.038 0.000 0.686 169 G C -0.149 174.738 174.900 -0.021 0.000 1.301 169 G CA -0.316 44.791 45.100 0.013 0.000 0.816 169 G HN 0.128 nan 8.290 nan 0.000 0.595 170 N N -2.309 116.362 118.700 -0.048 0.000 2.753 170 N HA -0.281 4.482 4.740 0.038 0.000 0.251 170 N C 1.850 177.193 175.510 -0.278 0.000 1.097 170 N CA 2.322 55.272 53.050 -0.167 0.000 0.786 170 N CB -1.683 36.652 38.487 -0.254 0.000 1.137 170 N HN 1.889 nan 8.380 nan 0.000 0.566 171 V N -2.663 117.088 119.914 -0.272 0.000 2.515 171 V HA 0.017 4.160 4.120 0.038 0.000 0.250 171 V C 2.384 178.347 176.094 -0.218 0.000 1.058 171 V CA 2.241 64.442 62.300 -0.166 0.000 1.064 171 V CB -0.972 30.806 31.823 -0.075 0.000 0.675 171 V HN 0.254 nan 8.190 nan 0.000 0.461 172 G N 0.598 109.076 108.800 -0.537 0.000 2.469 172 G HA2 -0.204 3.779 3.960 0.038 0.000 0.220 172 G HA3 -0.204 3.779 3.960 0.038 0.000 0.220 172 G C 1.574 176.427 174.900 -0.079 0.000 1.136 172 G CA 1.394 46.290 45.100 -0.341 0.000 0.759 172 G HN 0.548 nan 8.290 nan 0.000 0.562 173 L N -0.245 120.872 121.223 -0.178 0.000 2.109 173 L HA 0.111 4.474 4.340 0.038 0.000 0.207 173 L C 2.812 179.701 176.870 0.032 0.000 1.086 173 L CA 0.272 54.997 54.840 -0.193 0.000 0.760 173 L CB -0.271 41.343 42.059 -0.742 0.000 0.910 173 L HN 0.179 nan 8.230 nan 0.000 0.437 174 L N -0.508 120.744 121.223 0.049 0.000 2.141 174 L HA -0.201 4.161 4.340 0.038 0.000 0.209 174 L C 2.115 179.106 176.870 0.201 0.000 1.094 174 L CA 0.800 55.761 54.840 0.202 0.000 0.763 174 L CB -0.621 41.534 42.059 0.160 0.000 0.908 174 L HN 0.284 nan 8.230 nan 0.000 0.437 175 D N 0.038 120.545 120.400 0.179 0.000 2.097 175 D HA -0.198 4.464 4.640 0.038 0.000 0.195 175 D C 2.287 178.735 176.300 0.247 0.000 0.989 175 D CA 1.200 55.385 54.000 0.308 0.000 0.827 175 D CB -0.171 40.826 40.800 0.328 0.000 0.966 175 D HN 0.404 nan 8.370 nan 0.000 0.456 176 Q N 0.150 120.028 119.800 0.129 0.000 2.050 176 Q HA -0.117 4.245 4.340 0.038 0.000 0.202 176 Q C 2.296 178.281 176.000 -0.024 0.000 0.980 176 Q CA 1.022 56.822 55.803 -0.006 0.000 0.840 176 Q CB -0.089 28.645 28.738 -0.007 0.000 0.898 176 Q HN 0.186 nan 8.270 nan 0.000 0.424 177 R N 0.552 121.147 120.500 0.159 0.000 2.105 177 R HA -0.185 4.178 4.340 0.038 0.000 0.239 177 R C 2.175 178.529 176.300 0.091 0.000 1.135 177 R CA 1.028 57.212 56.100 0.140 0.000 0.967 177 R CB -0.207 30.280 30.300 0.312 0.000 0.861 177 R HN 0.214 nan 8.270 nan 0.000 0.442 178 L N 0.715 122.019 121.223 0.135 0.000 2.046 178 L HA -0.049 4.314 4.340 0.038 0.000 0.208 178 L C 2.290 179.192 176.870 0.052 0.000 1.077 178 L CA 2.140 57.088 54.840 0.179 0.000 0.747 178 L CB -0.779 41.488 42.059 0.345 0.000 0.896 178 L HN 0.249 nan 8.230 nan 0.000 0.432 179 A N -1.017 121.601 122.820 -0.337 0.000 1.978 179 A HA -0.176 4.167 4.320 0.038 0.000 0.220 179 A C 2.121 179.640 177.584 -0.108 0.000 1.170 179 A CA 1.833 53.522 52.037 -0.581 0.000 0.636 179 A CB -0.737 17.676 19.000 -0.979 0.000 0.810 179 A HN 0.425 nan 8.150 nan 0.000 0.448 180 L N -0.833 120.346 121.223 -0.073 0.000 2.056 180 L HA -0.142 4.220 4.340 0.038 0.000 0.207 180 L C 2.605 179.525 176.870 0.084 0.000 1.078 180 L CA 2.162 57.002 54.840 -0.001 0.000 0.749 180 L CB -0.902 41.115 42.059 -0.069 0.000 0.901 180 L HN 0.508 nan 8.230 nan 0.000 0.433 181 Q N -1.339 118.521 119.800 0.100 0.000 2.084 181 Q HA -0.271 4.091 4.340 0.038 0.000 0.202 181 Q C 2.173 178.264 176.000 0.151 0.000 0.978 181 Q CA 1.849 57.721 55.803 0.115 0.000 0.844 181 Q CB -0.645 28.167 28.738 0.123 0.000 0.898 181 Q HN 0.503 nan 8.270 nan 0.000 0.426 182 W N -0.642 120.675 121.300 0.027 0.000 2.338 182 W HA -0.205 4.477 4.660 0.038 0.000 0.304 182 W C 1.812 178.363 176.519 0.055 0.000 1.212 182 W CA 1.838 59.218 57.345 0.058 0.000 1.264 182 W CB -0.227 29.269 29.460 0.060 0.000 1.142 182 W HN 0.020 nan 8.180 nan 0.000 0.512 183 V N 0.807 120.939 119.914 0.362 0.000 2.295 183 V HA -0.347 3.796 4.120 0.038 0.000 0.246 183 V C 2.558 178.680 176.094 0.047 0.000 1.049 183 V CA 2.065 64.498 62.300 0.221 0.000 1.024 183 V CB -1.009 30.954 31.823 0.234 0.000 0.648 183 V HN 0.202 nan 8.190 nan 0.000 0.447 184 Q N -0.028 119.804 119.800 0.053 0.000 2.096 184 Q HA -0.251 4.112 4.340 0.038 0.000 0.204 184 Q C 2.182 178.157 176.000 -0.042 0.000 0.982 184 Q CA 1.902 57.720 55.803 0.025 0.000 0.850 184 Q CB -0.312 28.448 28.738 0.036 0.000 0.901 184 Q HN 0.730 nan 8.270 nan 0.000 0.422 185 E N -0.457 119.679 120.200 -0.108 0.000 2.299 185 E HA -0.016 4.356 4.350 0.038 0.000 0.193 185 E C 1.184 177.629 176.600 -0.259 0.000 0.998 185 E CA 0.367 56.668 56.400 -0.165 0.000 0.851 185 E CB 0.271 29.866 29.700 -0.174 0.000 0.795 185 E HN 0.294 nan 8.360 nan 0.000 0.492 186 N N -0.363 118.103 118.700 -0.389 0.000 2.211 186 N HA 0.036 4.798 4.740 0.038 0.000 0.216 186 N C 1.278 176.699 175.510 -0.148 0.000 1.240 186 N CA 0.053 52.821 53.050 -0.471 0.000 0.895 186 N CB 0.593 38.348 38.487 -1.221 0.000 1.102 186 N HN 0.039 nan 8.380 nan 0.000 0.498 187 I N 2.262 122.803 120.570 -0.048 0.000 2.546 187 I HA -0.005 4.188 4.170 0.038 0.000 0.255 187 I C 2.118 178.359 176.117 0.207 0.000 1.163 187 I CA 0.529 61.932 61.300 0.171 0.000 1.457 187 I CB -0.214 37.856 38.000 0.118 0.000 1.092 187 I HN 0.043 nan 8.210 nan 0.000 0.434 188 A N 0.413 123.278 122.820 0.075 0.000 1.986 188 A HA -0.195 4.147 4.320 0.038 0.000 0.220 188 A C 2.489 180.080 177.584 0.013 0.000 1.171 188 A CA 1.743 53.804 52.037 0.039 0.000 0.640 188 A CB -1.113 17.882 19.000 -0.007 0.000 0.811 188 A HN 0.477 nan 8.150 nan 0.000 0.451 189 A N -1.374 121.420 122.820 -0.043 0.000 2.019 189 A HA 0.039 4.381 4.320 0.038 0.000 0.219 189 A C 1.599 178.993 177.584 -0.316 0.000 1.164 189 A CA 1.346 53.244 52.037 -0.232 0.000 0.644 189 A CB -0.633 18.119 19.000 -0.413 0.000 0.805 189 A HN 0.519 nan 8.150 nan 0.000 0.449 190 F N -1.289 118.616 119.950 -0.075 0.000 2.727 190 F HA 0.385 4.935 4.527 0.038 0.000 0.302 190 F C 1.807 177.618 175.800 0.019 0.000 1.097 190 F CA 0.471 58.442 58.000 -0.049 0.000 1.330 190 F CB 0.140 39.118 39.000 -0.037 0.000 1.084 190 F HN 0.331 nan 8.300 nan 0.000 0.578 191 G N 0.125 109.019 108.800 0.156 0.000 2.175 191 G HA2 -0.181 3.802 3.960 0.038 0.000 0.244 191 G HA3 -0.181 3.802 3.960 0.038 0.000 0.244 191 G C 0.667 175.635 174.900 0.114 0.000 0.982 191 G CA -0.292 44.873 45.100 0.109 0.000 0.641 191 G HN 0.724 nan 8.290 nan 0.000 0.527 192 G N -0.437 108.451 108.800 0.146 0.000 2.503 192 G HA2 0.463 4.446 3.960 0.038 0.000 0.257 192 G HA3 0.463 4.446 3.960 0.038 0.000 0.257 192 G C -0.690 174.256 174.900 0.077 0.000 1.214 192 G CA 0.301 45.471 45.100 0.116 0.000 0.839 192 G HN 0.208 nan 8.290 nan 0.000 0.559 193 D N 1.321 121.753 120.400 0.054 0.000 2.396 193 D HA 0.296 4.959 4.640 0.038 0.000 0.225 193 D C -1.218 175.104 176.300 0.036 0.000 1.121 193 D CA -2.366 51.648 54.000 0.023 0.000 0.853 193 D CB 1.979 42.773 40.800 -0.011 0.000 1.043 193 D HN 0.043 nan 8.370 nan 0.000 0.500 194 P HA -0.036 nan 4.420 nan 0.000 0.233 194 P C 1.147 178.527 177.300 0.132 0.000 1.167 194 P CA 0.586 63.741 63.100 0.091 0.000 0.770 194 P CB 0.139 31.878 31.700 0.066 0.000 0.837 195 M N -1.103 118.497 119.600 0.000 0.000 2.563 195 M HA 0.091 4.594 4.480 0.038 0.000 0.231 195 M C 0.555 176.468 176.300 -0.645 0.000 1.136 195 M CA 0.531 55.719 55.300 -0.187 0.000 1.026 195 M CB -0.018 32.502 32.600 -0.135 0.000 1.597 195 M HN -0.153 nan 8.290 nan 0.000 0.495 196 S N 0.872 116.372 115.700 -0.332 0.000 2.381 196 S HA 0.440 4.932 4.470 0.038 0.000 0.193 196 S C -1.140 173.477 174.600 0.029 0.000 1.287 196 S CA -0.531 57.506 58.200 -0.273 0.000 1.199 196 S CB 0.592 63.686 63.200 -0.177 0.000 1.214 196 S HN 0.010 nan 8.310 nan 0.000 0.444 197 V N 3.931 124.020 119.914 0.291 0.000 2.531 197 V HA 0.595 4.738 4.120 0.038 0.000 0.301 197 V C -0.160 176.111 176.094 0.296 0.000 1.034 197 V CA -0.455 62.024 62.300 0.298 0.000 0.865 197 V CB 2.102 34.127 31.823 0.337 0.000 0.995 197 V HN 0.754 nan 8.190 nan 0.000 0.424 198 T N 6.325 121.002 114.554 0.204 0.000 2.786 198 T HA 0.592 4.965 4.350 0.038 0.000 0.283 198 T C -0.297 174.544 174.700 0.235 0.000 0.992 198 T CA -0.375 61.849 62.100 0.206 0.000 0.954 198 T CB 0.956 69.889 68.868 0.110 0.000 0.934 198 T HN 0.347 nan 8.240 nan 0.000 0.440 199 L N 4.908 126.251 121.223 0.201 0.000 2.326 199 L HA 0.648 5.010 4.340 0.038 0.000 0.278 199 L C -0.398 176.684 176.870 0.354 0.000 1.092 199 L CA -0.768 54.159 54.840 0.145 0.000 0.810 199 L CB 0.237 42.168 42.059 -0.213 0.000 1.153 199 L HN 0.623 nan 8.230 nan 0.000 0.439 200 F N 0.707 120.735 119.950 0.130 0.000 2.588 200 F HA 0.969 5.518 4.527 0.037 0.000 0.310 200 F C -0.273 175.540 175.800 0.022 0.000 1.082 200 F CA -1.579 56.548 58.000 0.211 0.000 0.929 200 F CB 1.612 40.877 39.000 0.442 0.000 1.254 200 F HN 0.456 nan 8.300 nan 0.000 0.455 201 G N 1.109 109.811 108.800 -0.162 0.000 2.646 201 G HA2 0.489 4.472 3.960 0.038 0.000 0.291 201 G HA3 0.489 4.472 3.960 0.038 0.000 0.291 201 G C -2.541 172.161 174.900 -0.331 0.000 1.445 201 G CA -0.808 43.809 45.100 -0.805 0.000 0.814 201 G HN 0.882 nan 8.290 nan 0.000 0.495 202 E N 0.413 120.368 120.200 -0.408 0.000 2.248 202 E HA 0.626 4.999 4.350 0.038 0.000 0.267 202 E C 0.496 177.042 176.600 -0.089 0.000 0.877 202 E CA 0.260 56.634 56.400 -0.045 0.000 0.759 202 E CB 2.102 31.903 29.700 0.168 0.000 1.182 202 E HN 0.874 nan 8.360 nan 0.000 0.418 203 S N 2.767 118.488 115.700 0.035 0.000 4.069 203 S HA -0.373 4.119 4.470 0.038 0.000 0.626 203 S C 1.431 176.090 174.600 0.098 0.000 2.000 203 S CA 1.722 59.999 58.200 0.128 0.000 4.174 203 S CB -1.639 61.618 63.200 0.094 0.000 0.210 203 S HN 0.986 nan 8.310 nan 0.000 0.602 204 A N 1.014 123.752 122.820 -0.136 0.000 1.986 204 A HA 0.088 4.431 4.320 0.038 0.000 0.220 204 A C 2.481 179.830 177.584 -0.392 0.000 1.171 204 A CA 2.655 54.439 52.037 -0.421 0.000 0.640 204 A CB -1.602 16.715 19.000 -1.139 0.000 0.811 204 A HN 1.667 nan 8.150 nan 0.000 0.451 205 G N -0.704 107.903 108.800 -0.322 0.000 2.422 205 G HA2 0.020 4.002 3.960 0.038 0.000 0.218 205 G HA3 0.020 4.002 3.960 0.038 0.000 0.218 205 G C 1.689 176.431 174.900 -0.263 0.000 1.146 205 G CA 1.326 46.194 45.100 -0.387 0.000 0.769 205 G HN 0.792 nan 8.290 nan 0.000 0.547 206 A N 1.096 123.836 122.820 -0.133 0.000 1.897 206 A HA 0.389 4.731 4.320 0.038 0.000 0.215 206 A C 2.809 180.399 177.584 0.010 0.000 1.181 206 A CA 1.935 53.955 52.037 -0.028 0.000 0.620 206 A CB -0.736 18.299 19.000 0.060 0.000 0.821 206 A HN 0.720 nan 8.150 nan 0.000 0.443 207 A N -0.223 122.637 122.820 0.067 0.000 1.908 207 A HA -0.117 4.225 4.320 0.038 0.000 0.218 207 A C 2.451 180.063 177.584 0.047 0.000 1.181 207 A CA 2.226 54.301 52.037 0.063 0.000 0.627 207 A CB -0.930 18.163 19.000 0.155 0.000 0.818 207 A HN 0.453 nan 8.150 nan 0.000 0.445 208 S N -0.397 115.328 115.700 0.042 0.000 2.348 208 S HA -0.154 4.338 4.470 0.038 0.000 0.221 208 S C 1.920 176.507 174.600 -0.023 0.000 1.033 208 S CA 1.471 59.654 58.200 -0.029 0.000 1.010 208 S CB -0.684 62.436 63.200 -0.134 0.000 0.891 208 S HN 0.358 nan 8.310 nan 0.000 0.442 209 V N 1.885 121.792 119.914 -0.011 0.000 2.317 209 V HA -0.252 3.891 4.120 0.038 0.000 0.251 209 V C 2.614 178.721 176.094 0.021 0.000 1.065 209 V CA 2.084 64.382 62.300 -0.003 0.000 1.049 209 V CB -1.620 30.172 31.823 -0.051 0.000 0.651 209 V HN 0.618 nan 8.190 nan 0.000 0.450 210 G N -1.139 107.666 108.800 0.009 0.000 2.422 210 G HA2 -0.277 3.705 3.960 0.038 0.000 0.218 210 G HA3 -0.277 3.705 3.960 0.038 0.000 0.218 210 G C 1.610 176.535 174.900 0.042 0.000 1.146 210 G CA 1.103 46.212 45.100 0.015 0.000 0.769 210 G HN 0.464 nan 8.290 nan 0.000 0.547 211 M N -0.151 119.450 119.600 0.002 0.000 2.296 211 M HA 0.030 4.533 4.480 0.038 0.000 0.265 211 M C 2.250 178.608 176.300 0.098 0.000 1.064 211 M CA 0.809 56.133 55.300 0.040 0.000 1.109 211 M CB -0.163 32.420 32.600 -0.027 0.000 1.396 211 M HN 0.216 nan 8.290 nan 0.000 0.430 212 H N -0.262 118.917 119.070 0.182 0.000 2.428 212 H HA 0.014 4.592 4.556 0.038 0.000 0.296 212 H C 2.105 177.636 175.328 0.337 0.000 1.062 212 H CA 1.322 57.480 56.048 0.184 0.000 1.350 212 H CB -0.231 29.494 29.762 -0.062 0.000 1.403 212 H HN 0.417 nan 8.280 nan 0.000 0.533 213 I N 0.703 121.528 120.570 0.424 0.000 2.286 213 I HA -0.232 3.961 4.170 0.038 0.000 0.248 213 I C 1.804 178.108 176.117 0.312 0.000 1.115 213 I CA 1.099 62.660 61.300 0.434 0.000 1.392 213 I CB -0.070 38.096 38.000 0.276 0.000 1.065 213 I HN 0.111 nan 8.210 nan 0.000 0.418 214 L N -0.832 120.526 121.223 0.224 0.000 2.592 214 L HA 0.114 4.476 4.340 0.038 0.000 0.227 214 L C 0.831 177.748 176.870 0.078 0.000 1.127 214 L CA 0.039 54.984 54.840 0.176 0.000 0.884 214 L CB 0.045 42.191 42.059 0.145 0.000 1.065 214 L HN 0.015 nan 8.230 nan 0.000 0.457 215 S N -0.309 115.405 115.700 0.024 0.000 2.640 215 S HA 0.270 4.763 4.470 0.038 0.000 0.320 215 S C 0.583 175.110 174.600 -0.121 0.000 1.097 215 S CA -0.605 57.492 58.200 -0.172 0.000 1.092 215 S CB 1.464 64.293 63.200 -0.619 0.000 0.988 215 S HN 0.119 nan 8.310 nan 0.000 0.470 216 L N 7.149 128.308 121.223 -0.108 0.000 2.042 216 L HA 0.113 4.475 4.340 0.038 0.000 0.210 216 L C -1.031 175.796 176.870 -0.071 0.000 1.076 216 L CA 2.018 56.815 54.840 -0.072 0.000 0.749 216 L CB -0.923 41.093 42.059 -0.071 0.000 0.893 216 L HN 0.504 nan 8.230 nan 0.000 0.432 217 P HA -0.079 nan 4.420 nan 0.000 0.222 217 P C 1.586 178.880 177.300 -0.010 0.000 1.147 217 P CA 1.193 64.255 63.100 -0.065 0.000 0.790 217 P CB 0.037 31.685 31.700 -0.087 0.000 0.780 218 S N -0.895 114.822 115.700 0.028 0.000 2.436 218 S HA -0.006 4.486 4.470 0.038 0.000 0.228 218 S C 1.823 176.559 174.600 0.226 0.000 1.014 218 S CA 0.520 58.844 58.200 0.206 0.000 0.950 218 S CB -0.354 63.105 63.200 0.432 0.000 0.784 218 S HN 0.087 nan 8.310 nan 0.000 0.504 219 R N 1.998 122.527 120.500 0.050 0.000 2.120 219 R HA 0.007 4.370 4.340 0.038 0.000 0.234 219 R C 2.232 178.333 176.300 -0.331 0.000 1.123 219 R CA 1.330 57.300 56.100 -0.216 0.000 0.975 219 R CB -1.206 28.998 30.300 -0.161 0.000 0.866 219 R HN 0.567 nan 8.270 nan 0.000 0.446 220 S N -0.041 115.560 115.700 -0.164 0.000 2.607 220 S HA 0.088 4.580 4.470 0.038 0.000 0.224 220 S C 1.666 176.176 174.600 -0.149 0.000 0.969 220 S CA 0.250 58.352 58.200 -0.163 0.000 0.927 220 S CB -0.155 62.996 63.200 -0.081 0.000 0.772 220 S HN 0.212 nan 8.310 nan 0.000 0.533 221 L N 0.176 121.351 121.223 -0.081 0.000 2.693 221 L HA 0.485 4.848 4.340 0.038 0.000 0.235 221 L C 0.009 176.943 176.870 0.105 0.000 1.127 221 L CA -0.317 54.545 54.840 0.036 0.000 0.914 221 L CB 0.066 42.196 42.059 0.117 0.000 1.193 221 L HN 0.496 nan 8.230 nan 0.000 0.502 222 F N -4.061 115.721 119.950 -0.280 0.000 2.711 222 F HA 0.477 5.027 4.527 0.038 0.000 0.313 222 F C 0.423 175.922 175.800 -0.501 0.000 1.141 222 F CA -1.012 56.817 58.000 -0.284 0.000 0.941 222 F CB 0.827 39.784 39.000 -0.072 0.000 1.349 222 F HN -0.143 nan 8.300 nan 0.000 0.464 223 H N -0.691 118.402 119.070 0.039 0.000 3.091 223 H HA 0.444 5.023 4.556 0.038 0.000 0.249 223 H C -0.076 175.255 175.328 0.005 0.000 0.985 223 H CA -0.060 55.943 56.048 -0.076 0.000 1.177 223 H CB 1.081 30.813 29.762 -0.049 0.000 1.456 223 H HN 0.422 nan 8.280 nan 0.000 0.467 224 R N 0.230 120.897 120.500 0.278 0.000 2.799 224 R HA 0.725 5.088 4.340 0.038 0.000 0.270 224 R C -1.410 175.144 176.300 0.423 0.000 1.010 224 R CA -0.661 55.574 56.100 0.224 0.000 0.916 224 R CB 2.896 33.127 30.300 -0.116 0.000 1.228 224 R HN 0.145 nan 8.270 nan 0.000 0.469 225 A N 0.931 124.023 122.820 0.453 0.000 2.515 225 A HA 0.690 5.033 4.320 0.038 0.000 0.298 225 A C -1.517 176.251 177.584 0.306 0.000 1.059 225 A CA -0.596 51.656 52.037 0.359 0.000 0.698 225 A CB 1.908 21.081 19.000 0.288 0.000 1.289 225 A HN 0.305 nan 8.150 nan 0.000 0.404 226 V N 1.910 121.956 119.914 0.220 0.000 2.531 226 V HA 0.522 4.664 4.120 0.038 0.000 0.301 226 V C -1.209 174.990 176.094 0.175 0.000 1.034 226 V CA -0.311 62.058 62.300 0.115 0.000 0.865 226 V CB 1.322 33.233 31.823 0.146 0.000 0.995 226 V HN 0.687 nan 8.190 nan 0.000 0.424 227 L N 4.995 126.288 121.223 0.118 0.000 2.318 227 L HA 0.526 4.889 4.340 0.038 0.000 0.277 227 L C -0.023 176.948 176.870 0.168 0.000 1.008 227 L CA 0.021 54.927 54.840 0.110 0.000 0.846 227 L CB 1.592 43.674 42.059 0.037 0.000 1.220 227 L HN 0.626 nan 8.230 nan 0.000 0.423 228 Q N 2.049 121.996 119.800 0.244 0.000 2.368 228 Q HA 0.439 4.802 4.340 0.038 0.000 0.256 228 Q C 0.102 176.219 176.000 0.196 0.000 0.980 228 Q CA -0.495 55.501 55.803 0.322 0.000 0.887 228 Q CB 1.247 30.251 28.738 0.443 0.000 1.221 228 Q HN 0.626 nan 8.270 nan 0.000 0.458 229 S N 1.137 116.938 115.700 0.168 0.000 3.706 229 S HA -0.151 4.342 4.470 0.038 0.000 0.363 229 S C -0.002 174.780 174.600 0.302 0.000 0.999 229 S CA 0.512 58.834 58.200 0.203 0.000 1.143 229 S CB -1.188 62.089 63.200 0.130 0.000 0.902 229 S HN 1.004 nan 8.310 nan 0.000 0.476 230 G N -0.345 108.609 108.800 0.257 0.000 2.442 230 G HA2 0.617 4.600 3.960 0.038 0.000 0.296 230 G HA3 0.617 4.600 3.960 0.038 0.000 0.296 230 G C -0.929 174.079 174.900 0.179 0.000 1.564 230 G CA 0.193 45.517 45.100 0.373 0.000 0.828 230 G HN 1.018 nan 8.290 nan 0.000 0.571 231 T N -1.057 113.555 114.554 0.096 0.000 2.894 231 T HA 0.758 5.130 4.350 0.038 0.000 0.309 231 T C -2.341 172.227 174.700 -0.220 0.000 1.208 231 T CA -1.330 60.725 62.100 -0.075 0.000 1.016 231 T CB 3.128 71.931 68.868 -0.108 0.000 1.192 231 T HN 0.283 nan 8.240 nan 0.000 0.491 232 P HA -0.008 nan 4.420 nan 0.000 0.220 232 P C 0.367 177.513 177.300 -0.256 0.000 1.152 232 P CA 0.640 63.622 63.100 -0.196 0.000 0.812 232 P CB -0.086 31.556 31.700 -0.096 0.000 0.792 233 N N 0.778 119.348 118.700 -0.216 0.000 2.317 233 N HA 0.249 5.012 4.740 0.038 0.000 0.245 233 N C 0.816 176.123 175.510 -0.338 0.000 1.294 233 N CA 0.776 53.694 53.050 -0.219 0.000 0.924 233 N CB -0.164 38.237 38.487 -0.143 0.000 1.186 233 N HN 0.229 nan 8.380 nan 0.000 0.495 234 G N -1.030 107.589 108.800 -0.302 0.000 2.603 234 G HA2 -0.125 3.857 3.960 0.038 0.000 0.686 234 G HA3 -0.125 3.857 3.960 0.038 0.000 0.686 234 G C -2.167 172.478 174.900 -0.424 0.000 1.286 234 G CA -0.196 44.674 45.100 -0.383 0.000 0.871 234 G HN 0.560 nan 8.290 nan 0.000 0.568 235 P HA 0.113 nan 4.420 nan 0.000 0.236 235 P C 1.382 178.602 177.300 -0.134 0.000 1.177 235 P CA 1.954 64.905 63.100 -0.248 0.000 0.773 235 P CB -0.036 31.483 31.700 -0.302 0.000 0.878 236 W N -1.811 119.403 121.300 -0.144 0.000 2.865 236 W HA 0.589 5.271 4.660 0.037 0.000 0.300 236 W C 0.997 177.581 176.519 0.109 0.000 1.096 236 W CA 0.424 57.748 57.345 -0.035 0.000 1.524 236 W CB -0.669 28.801 29.460 0.016 0.000 0.991 236 W HN -0.167 nan 8.180 nan 0.000 0.571 237 A N 1.881 124.412 122.820 -0.482 0.000 2.081 237 A HA 0.154 4.497 4.320 0.038 0.000 0.214 237 A C 1.164 178.611 177.584 -0.228 0.000 1.158 237 A CA 1.729 53.539 52.037 -0.377 0.000 0.724 237 A CB -0.735 17.739 19.000 -0.877 0.000 0.826 237 A HN 0.190 nan 8.150 nan 0.000 0.463 238 T N -2.691 111.730 114.554 -0.222 0.000 2.901 238 T HA 0.636 5.008 4.350 0.038 0.000 0.293 238 T C -0.472 174.155 174.700 -0.122 0.000 1.084 238 T CA -0.115 61.875 62.100 -0.184 0.000 1.008 238 T CB 1.424 70.192 68.868 -0.166 0.000 1.170 238 T HN 0.855 nan 8.240 nan 0.000 0.509 239 V N -1.095 118.756 119.914 -0.106 0.000 3.074 239 V HA 0.914 5.056 4.120 0.038 0.000 0.314 239 V C 0.341 176.397 176.094 -0.064 0.000 1.117 239 V CA -0.812 61.441 62.300 -0.079 0.000 1.014 239 V CB 1.316 33.092 31.823 -0.077 0.000 1.057 239 V HN 1.355 nan 8.190 nan 0.000 0.438 240 S N 1.338 117.007 115.700 -0.052 0.000 2.624 240 S HA 0.593 5.086 4.470 0.038 0.000 0.263 240 S C 1.347 175.928 174.600 -0.031 0.000 1.287 240 S CA 0.095 58.272 58.200 -0.039 0.000 0.990 240 S CB 1.150 64.329 63.200 -0.035 0.000 0.950 240 S HN 1.920 nan 8.310 nan 0.000 0.561 241 A N 1.666 124.473 122.820 -0.022 0.000 1.933 241 A HA 0.148 4.491 4.320 0.038 0.000 0.218 241 A C 2.197 179.771 177.584 -0.017 0.000 1.175 241 A CA 1.625 53.653 52.037 -0.015 0.000 0.628 241 A CB -1.816 17.179 19.000 -0.008 0.000 0.814 241 A HN 1.149 nan 8.150 nan 0.000 0.444 242 G N -0.425 108.362 108.800 -0.020 0.000 2.418 242 G HA2 -0.246 3.736 3.960 0.038 0.000 0.217 242 G HA3 -0.246 3.736 3.960 0.038 0.000 0.217 242 G C 1.480 176.363 174.900 -0.027 0.000 1.158 242 G CA 1.367 46.455 45.100 -0.022 0.000 0.771 242 G HN 0.581 nan 8.290 nan 0.000 0.545 243 E N 0.799 120.978 120.200 -0.035 0.000 2.152 243 E HA 0.157 4.529 4.350 0.038 0.000 0.192 243 E C 2.623 179.189 176.600 -0.058 0.000 0.983 243 E CA 1.231 57.602 56.400 -0.048 0.000 0.818 243 E CB -0.447 29.219 29.700 -0.056 0.000 0.758 243 E HN 0.270 nan 8.360 nan 0.000 0.467 244 A N 1.092 123.886 122.820 -0.043 0.000 1.858 244 A HA -0.214 4.128 4.320 0.038 0.000 0.216 244 A C 2.297 179.880 177.584 -0.002 0.000 1.190 244 A CA 1.867 53.891 52.037 -0.022 0.000 0.617 244 A CB -0.693 18.310 19.000 0.005 0.000 0.827 244 A HN 0.289 nan 8.150 nan 0.000 0.443 245 R N -0.585 119.909 120.500 -0.010 0.000 2.096 245 R HA -0.188 4.175 4.340 0.038 0.000 0.240 245 R C 2.490 178.783 176.300 -0.011 0.000 1.139 245 R CA 1.828 57.922 56.100 -0.011 0.000 0.952 245 R CB -0.343 29.948 30.300 -0.015 0.000 0.854 245 R HN 0.524 nan 8.270 nan 0.000 0.436 246 R N 0.527 121.015 120.500 -0.020 0.000 2.083 246 R HA -0.152 4.210 4.340 0.038 0.000 0.237 246 R C 2.212 178.500 176.300 -0.019 0.000 1.137 246 R CA 1.916 58.002 56.100 -0.022 0.000 0.951 246 R CB -0.150 30.131 30.300 -0.031 0.000 0.851 246 R HN 0.302 nan 8.270 nan 0.000 0.434 247 R N -0.251 120.226 120.500 -0.038 0.000 2.075 247 R HA -0.044 4.318 4.340 0.038 0.000 0.232 247 R C 2.388 178.748 176.300 0.100 0.000 1.126 247 R CA 1.281 57.350 56.100 -0.052 0.000 0.963 247 R CB -0.349 29.795 30.300 -0.260 0.000 0.858 247 R HN 0.253 nan 8.270 nan 0.000 0.435 248 A N 0.568 123.474 122.820 0.142 0.000 1.902 248 A HA -0.157 4.186 4.320 0.038 0.000 0.217 248 A C 2.141 179.739 177.584 0.023 0.000 1.181 248 A CA 1.977 54.083 52.037 0.116 0.000 0.623 248 A CB -0.826 18.185 19.000 0.018 0.000 0.818 248 A HN 0.279 nan 8.150 nan 0.000 0.443 249 T N -0.181 114.376 114.554 0.006 0.000 2.867 249 T HA -0.078 4.294 4.350 0.038 0.000 0.268 249 T C 1.755 176.453 174.700 -0.004 0.000 1.057 249 T CA 1.392 63.486 62.100 -0.010 0.000 1.136 249 T CB -0.216 68.644 68.868 -0.013 0.000 0.874 249 T HN 0.300 nan 8.240 nan 0.000 0.466 250 L N 0.899 122.128 121.223 0.011 0.000 2.095 250 L HA 0.271 4.633 4.340 0.038 0.000 0.204 250 L C 2.077 178.955 176.870 0.014 0.000 1.080 250 L CA 1.218 56.063 54.840 0.009 0.000 0.759 250 L CB -0.904 41.162 42.059 0.012 0.000 0.914 250 L HN 0.141 nan 8.230 nan 0.000 0.439 251 L N 0.180 121.439 121.223 0.060 0.000 2.042 251 L HA -0.136 4.227 4.340 0.038 0.000 0.210 251 L C 2.500 179.369 176.870 -0.003 0.000 1.076 251 L CA 2.171 57.050 54.840 0.066 0.000 0.749 251 L CB -0.998 41.150 42.059 0.148 0.000 0.893 251 L HN 0.287 nan 8.230 nan 0.000 0.432 252 A N -0.519 122.293 122.820 -0.014 0.000 1.877 252 A HA -0.259 4.084 4.320 0.038 0.000 0.216 252 A C 2.546 180.114 177.584 -0.027 0.000 1.186 252 A CA 1.867 53.888 52.037 -0.026 0.000 0.620 252 A CB -0.719 18.259 19.000 -0.036 0.000 0.822 252 A HN 0.505 nan 8.150 nan 0.000 0.443 253 R N -0.470 120.012 120.500 -0.030 0.000 2.083 253 R HA -0.100 4.263 4.340 0.038 0.000 0.237 253 R C 2.012 178.272 176.300 -0.067 0.000 1.137 253 R CA 1.674 57.752 56.100 -0.036 0.000 0.951 253 R CB -0.440 29.842 30.300 -0.030 0.000 0.851 253 R HN 0.552 nan 8.270 nan 0.000 0.434 254 L N 0.710 121.862 121.223 -0.119 0.000 2.191 254 L HA -0.114 4.249 4.340 0.038 0.000 0.212 254 L C 1.921 178.625 176.870 -0.276 0.000 1.103 254 L CA 0.810 55.478 54.840 -0.287 0.000 0.769 254 L CB -0.015 41.757 42.059 -0.478 0.000 0.908 254 L HN 0.197 nan 8.230 nan 0.000 0.438 255 V N -4.010 115.846 119.914 -0.096 0.000 3.444 255 V HA 0.479 4.621 4.120 0.038 0.000 0.308 255 V C 1.216 177.325 176.094 0.025 0.000 1.371 255 V CA 0.284 62.598 62.300 0.023 0.000 1.141 255 V CB -0.297 31.575 31.823 0.082 0.000 1.037 255 V HN 0.441 nan 8.190 nan 0.000 0.433 256 G N -0.494 108.306 108.800 -0.000 0.000 2.136 256 G HA2 -0.245 3.738 3.960 0.038 0.000 0.242 256 G HA3 -0.245 3.738 3.960 0.038 0.000 0.242 256 G C 0.115 175.021 174.900 0.010 0.000 0.989 256 G CA 0.016 45.121 45.100 0.009 0.000 0.682 256 G HN 0.678 nan 8.290 nan 0.000 0.522 257 c N 1.861 120.464 118.600 0.004 0.000 2.365 257 c HA 0.773 5.366 4.570 0.038 0.000 0.351 257 c C -0.900 173.188 174.090 -0.003 0.000 1.240 257 c CA -0.962 55.370 56.329 0.005 0.000 2.062 257 c CB 1.325 43.838 42.510 0.006 0.000 2.387 257 c HN 0.513 nan 8.230 nan 0.000 0.537 266 D N 1.470 121.863 120.400 -0.010 0.000 2.123 266 D HA -0.112 4.550 4.640 0.038 0.000 0.196 266 D C 1.402 177.695 176.300 -0.011 0.000 0.992 266 D CA 1.860 55.850 54.000 -0.017 0.000 0.833 266 D CB 0.037 40.826 40.800 -0.018 0.000 0.954 266 D HN 0.604 nan 8.370 nan 0.000 0.455 267 T N 1.069 115.623 114.554 -0.001 0.000 2.665 267 T HA -0.177 4.196 4.350 0.038 0.000 0.268 267 T C 1.804 176.510 174.700 0.011 0.000 1.035 267 T CA 1.401 63.506 62.100 0.009 0.000 1.151 267 T CB -0.227 68.648 68.868 0.011 0.000 0.862 267 T HN 0.319 nan 8.240 nan 0.000 0.438 268 E N 0.461 120.665 120.200 0.007 0.000 2.051 268 E HA -0.062 4.311 4.350 0.038 0.000 0.192 268 E C 2.279 178.883 176.600 0.007 0.000 0.991 268 E CA 0.806 57.212 56.400 0.009 0.000 0.799 268 E CB -0.290 29.413 29.700 0.006 0.000 0.748 268 E HN 0.373 nan 8.360 nan 0.000 0.449 269 L N 0.972 122.192 121.223 -0.004 0.000 2.012 269 L HA -0.200 4.162 4.340 0.038 0.000 0.210 269 L C 2.229 179.091 176.870 -0.014 0.000 1.073 269 L CA 1.366 56.197 54.840 -0.014 0.000 0.748 269 L CB -0.098 41.943 42.059 -0.031 0.000 0.891 269 L HN 0.092 nan 8.230 nan 0.000 0.431 270 I N -0.137 120.424 120.570 -0.015 0.000 2.439 270 I HA -0.209 3.984 4.170 0.038 0.000 0.251 270 I C 2.721 178.893 176.117 0.093 0.000 1.139 270 I CA 0.934 62.240 61.300 0.010 0.000 1.438 270 I CB -0.575 37.429 38.000 0.007 0.000 1.085 270 I HN 0.321 nan 8.210 nan 0.000 0.427 271 A N -0.159 122.698 122.820 0.062 0.000 1.902 271 A HA -0.294 4.049 4.320 0.038 0.000 0.217 271 A C 2.525 180.147 177.584 0.063 0.000 1.181 271 A CA 2.001 54.076 52.037 0.063 0.000 0.623 271 A CB -1.335 17.689 19.000 0.039 0.000 0.818 271 A HN 0.620 nan 8.150 nan 0.000 0.443 272 c N -0.651 117.979 118.600 0.050 0.000 2.457 272 c HA 0.067 4.659 4.570 0.038 0.000 0.278 272 c C 2.582 176.712 174.090 0.066 0.000 1.309 272 c CA 0.936 57.292 56.329 0.045 0.000 1.735 272 c CB -1.559 40.968 42.510 0.029 0.000 1.992 272 c HN 0.581 nan 8.230 nan 0.000 0.493 273 L N 0.458 121.734 121.223 0.087 0.000 2.042 273 L HA -0.134 4.229 4.340 0.038 0.000 0.210 273 L C 2.993 179.989 176.870 0.210 0.000 1.076 273 L CA 1.610 56.537 54.840 0.146 0.000 0.749 273 L CB -0.675 41.468 42.059 0.139 0.000 0.893 273 L HN 0.353 nan 8.230 nan 0.000 0.432 274 R N -0.514 120.111 120.500 0.209 0.000 2.193 274 R HA -0.121 4.242 4.340 0.038 0.000 0.229 274 R C 2.170 178.495 176.300 0.042 0.000 1.110 274 R CA 1.682 57.843 56.100 0.102 0.000 0.988 274 R CB -0.401 29.950 30.300 0.084 0.000 0.871 274 R HN 0.534 nan 8.270 nan 0.000 0.458 275 T N -1.609 112.976 114.554 0.051 0.000 3.088 275 T HA 0.074 4.446 4.350 0.038 0.000 0.259 275 T C 0.966 175.683 174.700 0.028 0.000 1.122 275 T CA 0.069 62.187 62.100 0.030 0.000 1.095 275 T CB 0.140 69.026 68.868 0.030 0.000 0.930 275 T HN -0.120 nan 8.240 nan 0.000 0.508 276 R N 2.739 123.265 120.500 0.044 0.000 2.340 276 R HA 0.373 4.736 4.340 0.038 0.000 0.300 276 R C -2.673 173.643 176.300 0.028 0.000 1.069 276 R CA -2.535 53.592 56.100 0.045 0.000 0.984 276 R CB 0.083 30.422 30.300 0.066 0.000 1.003 276 R HN 0.254 nan 8.270 nan 0.000 0.459 277 P HA -0.091 nan 4.420 nan 0.000 0.264 277 P C 0.375 177.659 177.300 -0.026 0.000 1.179 277 P CA 0.369 63.454 63.100 -0.024 0.000 0.763 277 P CB 0.564 32.258 31.700 -0.010 0.000 0.806 278 A N 3.138 125.872 122.820 -0.145 0.000 1.892 278 A HA -0.287 4.056 4.320 0.038 0.000 0.218 278 A C 2.129 179.692 177.584 -0.035 0.000 1.188 278 A CA 1.985 53.921 52.037 -0.168 0.000 0.631 278 A CB -1.265 17.158 19.000 -0.961 0.000 0.822 278 A HN 0.534 nan 8.150 nan 0.000 0.447 279 Q N 0.031 119.774 119.800 -0.094 0.000 2.226 279 Q HA -0.157 4.205 4.340 0.038 0.000 0.204 279 Q C 1.172 177.263 176.000 0.152 0.000 0.975 279 Q CA 1.924 57.838 55.803 0.184 0.000 0.866 279 Q CB -0.453 28.408 28.738 0.205 0.000 0.915 279 Q HN 0.664 nan 8.270 nan 0.000 0.440 280 D N -0.609 119.850 120.400 0.098 0.000 2.144 280 D HA -0.134 4.529 4.640 0.038 0.000 0.199 280 D C 1.667 178.041 176.300 0.124 0.000 0.984 280 D CA 1.004 55.066 54.000 0.104 0.000 0.834 280 D CB -0.109 40.748 40.800 0.094 0.000 0.955 280 D HN 0.300 nan 8.370 nan 0.000 0.465 281 L N 0.069 121.354 121.223 0.104 0.000 2.027 281 L HA -0.118 4.244 4.340 0.038 0.000 0.206 281 L C 2.440 179.346 176.870 0.061 0.000 1.074 281 L CA 0.701 55.564 54.840 0.037 0.000 0.745 281 L CB -0.570 41.413 42.059 -0.128 0.000 0.898 281 L HN -0.028 nan 8.230 nan 0.000 0.433 282 V N -0.113 119.899 119.914 0.163 0.000 2.490 282 V HA -0.274 3.869 4.120 0.038 0.000 0.250 282 V C 2.034 178.218 176.094 0.149 0.000 1.061 282 V CA 1.700 64.135 62.300 0.225 0.000 1.064 282 V CB -0.604 31.487 31.823 0.447 0.000 0.670 282 V HN 0.415 nan 8.190 nan 0.000 0.461 283 D N -0.881 119.568 120.400 0.080 0.000 2.228 283 D HA -0.150 4.513 4.640 0.038 0.000 0.203 283 D C 1.762 177.855 176.300 -0.344 0.000 0.988 283 D CA 1.287 55.234 54.000 -0.088 0.000 0.864 283 D CB -0.173 40.520 40.800 -0.178 0.000 0.928 283 D HN 0.511 nan 8.370 nan 0.000 0.469 284 H N -0.709 118.311 119.070 -0.084 0.000 2.672 284 H HA 0.158 4.737 4.556 0.038 0.000 0.277 284 H C 1.459 176.680 175.328 -0.179 0.000 1.074 284 H CA -0.103 55.816 56.048 -0.216 0.000 1.173 284 H CB 0.653 30.428 29.762 0.022 0.000 1.558 284 H HN 0.287 nan 8.280 nan 0.000 0.539 285 E N 0.386 120.554 120.200 -0.054 0.000 2.085 285 E HA -0.184 4.188 4.350 0.038 0.000 0.194 285 E C 0.805 177.273 176.600 -0.220 0.000 0.994 285 E CA 1.125 57.480 56.400 -0.076 0.000 0.801 285 E CB 0.106 29.665 29.700 -0.235 0.000 0.743 285 E HN 0.415 nan 8.360 nan 0.000 0.453 286 W N -0.616 120.596 121.300 -0.146 0.000 3.256 286 W HA 0.080 4.763 4.660 0.038 0.000 0.269 286 W C 1.336 177.893 176.519 0.063 0.000 1.310 286 W CA 0.161 57.442 57.345 -0.106 0.000 1.673 286 W CB 0.134 29.479 29.460 -0.192 0.000 1.115 286 W HN 0.224 nan 8.180 nan 0.000 0.686 287 H N -0.547 118.650 119.070 0.212 0.000 2.539 287 H HA 0.014 4.593 4.556 0.038 0.000 0.267 287 H C 1.810 177.188 175.328 0.084 0.000 0.982 287 H CA 0.649 56.794 56.048 0.162 0.000 1.146 287 H CB 0.271 30.160 29.762 0.211 0.000 1.382 287 H HN 0.126 nan 8.280 nan 0.000 0.577 288 V N -1.843 118.151 119.914 0.134 0.000 3.578 288 V HA 0.194 4.337 4.120 0.038 0.000 0.290 288 V C 0.522 176.593 176.094 -0.039 0.000 1.376 288 V CA -0.178 62.136 62.300 0.023 0.000 1.083 288 V CB -0.279 31.517 31.823 -0.044 0.000 0.911 288 V HN 0.117 nan 8.190 nan 0.000 0.433 289 L N 2.453 123.674 121.223 -0.004 0.000 2.456 289 L HA 0.267 4.630 4.340 0.038 0.000 0.272 289 L C -0.389 176.481 176.870 -0.000 0.000 1.189 289 L CA -1.047 53.784 54.840 -0.016 0.000 0.846 289 L CB 0.972 43.054 42.059 0.039 0.000 1.111 289 L HN 0.135 nan 8.230 nan 0.000 0.475 290 P HA -0.066 nan 4.420 nan 0.000 0.222 290 P C -0.331 176.969 177.300 0.000 0.000 1.153 290 P CA 1.008 64.101 63.100 -0.012 0.000 0.798 290 P CB 0.494 32.181 31.700 -0.022 0.000 0.796 291 Q N -1.228 118.575 119.800 0.006 0.000 2.501 291 Q HA 0.333 4.695 4.340 0.038 0.000 0.288 291 Q C -0.679 175.332 176.000 0.019 0.000 1.051 291 Q CA -0.772 55.037 55.803 0.010 0.000 0.788 291 Q CB 1.204 29.945 28.738 0.005 0.000 1.469 291 Q HN -0.064 nan 8.270 nan 0.000 0.416 292 E N 1.088 121.299 120.200 0.019 0.000 2.493 292 E HA 0.251 4.624 4.350 0.038 0.000 0.255 292 E C -0.964 175.645 176.600 0.016 0.000 0.999 292 E CA 0.190 56.602 56.400 0.020 0.000 0.934 292 E CB 0.265 29.974 29.700 0.015 0.000 0.940 292 E HN 0.585 nan 8.360 nan 0.000 0.473 293 S N 3.679 119.389 115.700 0.017 0.000 2.625 293 S HA 0.661 5.153 4.470 0.038 0.000 0.271 293 S C -0.487 174.118 174.600 0.008 0.000 1.161 293 S CA -1.048 57.158 58.200 0.010 0.000 0.820 293 S CB 0.863 64.064 63.200 0.002 0.000 1.137 293 S HN 0.529 nan 8.310 nan 0.000 0.470 294 I N -2.900 117.676 120.570 0.010 0.000 3.002 294 I HA 0.810 5.002 4.170 0.038 0.000 0.310 294 I C -0.265 175.848 176.117 -0.008 0.000 1.087 294 I CA -1.229 60.086 61.300 0.024 0.000 1.017 294 I CB 1.192 39.243 38.000 0.085 0.000 1.226 294 I HN 0.770 nan 8.210 nan 0.000 0.443 295 F N 1.511 121.297 119.950 -0.274 0.000 3.091 295 F HA -0.179 4.370 4.527 0.037 0.000 0.288 295 F C -0.335 174.910 175.800 -0.925 0.000 0.907 295 F CA 0.642 58.252 58.000 -0.649 0.000 1.028 295 F CB -0.606 37.959 39.000 -0.726 0.000 1.022 295 F HN 0.586 nan 8.300 nan 0.000 0.665 296 R N 0.437 120.464 120.500 -0.788 0.000 2.621 296 R HA 0.640 5.003 4.340 0.038 0.000 0.284 296 R C -1.078 174.815 176.300 -0.678 0.000 0.998 296 R CA -0.560 55.127 56.100 -0.689 0.000 0.895 296 R CB 1.395 31.573 30.300 -0.203 0.000 1.195 296 R HN -0.011 nan 8.270 nan 0.000 0.450 297 F N -0.721 119.332 119.950 0.171 0.000 2.565 297 F HA 0.368 4.918 4.527 0.037 0.000 0.313 297 F C 1.407 177.133 175.800 -0.123 0.000 1.091 297 F CA -0.900 57.128 58.000 0.046 0.000 0.915 297 F CB 1.891 41.034 39.000 0.238 0.000 1.208 297 F HN 0.341 nan 8.300 nan 0.000 0.453 298 S N 0.736 116.315 115.700 -0.202 0.000 2.371 298 S HA 0.049 4.541 4.470 0.038 0.000 0.224 298 S C -0.056 174.105 174.600 -0.731 0.000 1.029 298 S CA 1.040 58.930 58.200 -0.517 0.000 0.978 298 S CB -0.183 62.609 63.200 -0.680 0.000 0.833 298 S HN 0.366 nan 8.310 nan 0.000 0.466 299 F N 1.646 121.601 119.950 0.008 0.000 2.434 299 F HA 0.561 5.111 4.527 0.038 0.000 0.355 299 F C -0.093 175.724 175.800 0.028 0.000 1.115 299 F CA -0.992 57.044 58.000 0.061 0.000 1.010 299 F CB 1.379 40.440 39.000 0.102 0.000 1.234 299 F HN -0.113 nan 8.300 nan 0.000 0.439 300 V N 0.641 120.532 119.914 -0.039 0.000 3.167 300 V HA 0.769 4.911 4.120 0.038 0.000 0.310 300 V C -2.914 172.857 176.094 -0.537 0.000 1.207 300 V CA -3.354 58.614 62.300 -0.554 0.000 1.059 300 V CB 2.048 33.740 31.823 -0.219 0.000 1.079 300 V HN 0.253 nan 8.190 nan 0.000 0.446 301 P HA 0.159 nan 4.420 nan 0.000 0.264 301 P C -0.727 176.456 177.300 -0.195 0.000 1.179 301 P CA 0.470 63.331 63.100 -0.399 0.000 0.763 301 P CB 0.582 31.952 31.700 -0.550 0.000 0.806 302 V N 4.760 124.626 119.914 -0.081 0.000 2.628 302 V HA 0.244 4.387 4.120 0.038 0.000 0.306 302 V C -0.376 175.699 176.094 -0.032 0.000 1.045 302 V CA -0.919 61.354 62.300 -0.046 0.000 0.905 302 V CB 2.173 33.994 31.823 -0.003 0.000 0.997 302 V HN 0.136 nan 8.190 nan 0.000 0.436 303 V N 7.260 127.156 119.914 -0.030 0.000 2.341 303 V HA 0.171 4.313 4.120 0.038 0.000 0.248 303 V C 0.813 176.912 176.094 0.007 0.000 1.107 303 V CA 0.327 62.622 62.300 -0.008 0.000 1.069 303 V CB 0.074 31.886 31.823 -0.019 0.000 1.177 303 V HN 1.051 nan 8.190 nan 0.000 0.492 304 D N 2.740 123.158 120.400 0.030 0.000 2.367 304 D HA 0.111 4.774 4.640 0.038 0.000 0.207 304 D C 1.577 177.898 176.300 0.035 0.000 1.034 304 D CA 0.701 54.722 54.000 0.035 0.000 0.861 304 D CB 0.335 41.167 40.800 0.054 0.000 0.943 304 D HN 0.681 nan 8.370 nan 0.000 0.515 305 G N 0.798 109.620 108.800 0.037 0.000 2.155 305 G HA2 -0.330 3.653 3.960 0.038 0.000 0.257 305 G HA3 -0.330 3.653 3.960 0.038 0.000 0.257 305 G C 0.416 175.338 174.900 0.036 0.000 0.983 305 G CA 0.839 45.956 45.100 0.029 0.000 0.676 305 G HN 0.553 nan 8.290 nan 0.000 0.528 306 D N -1.497 118.941 120.400 0.063 0.000 3.074 306 D HA 0.212 4.875 4.640 0.038 0.000 0.227 306 D C 1.758 178.110 176.300 0.087 0.000 1.553 306 D CA 0.410 54.450 54.000 0.067 0.000 1.347 306 D CB -0.621 40.227 40.800 0.080 0.000 1.021 306 D HN 0.096 nan 8.370 nan 0.000 0.260 307 F N 1.144 121.098 119.950 0.007 0.000 2.126 307 F HA 0.160 4.710 4.527 0.038 0.000 0.299 307 F C 0.592 176.390 175.800 -0.003 0.000 1.096 307 F CA 1.207 59.211 58.000 0.006 0.000 1.255 307 F CB 0.155 39.155 39.000 0.000 0.000 0.997 307 F HN -0.011 nan 8.300 nan 0.000 0.479 308 L N 0.771 122.156 121.223 0.270 0.000 2.301 308 L HA 0.194 4.556 4.340 0.038 0.000 0.278 308 L C 1.372 178.285 176.870 0.071 0.000 1.022 308 L CA -0.251 54.681 54.840 0.154 0.000 0.854 308 L CB 1.346 43.486 42.059 0.136 0.000 1.226 308 L HN 0.050 nan 8.230 nan 0.000 0.429 309 S N 0.485 116.206 115.700 0.035 0.000 2.399 309 S HA -0.054 4.439 4.470 0.038 0.000 0.231 309 S C 0.532 175.140 174.600 0.013 0.000 1.022 309 S CA 0.694 58.903 58.200 0.016 0.000 0.983 309 S CB 0.156 63.355 63.200 -0.002 0.000 0.803 309 S HN 0.673 nan 8.310 nan 0.000 0.480 310 D N 0.323 120.732 120.400 0.014 0.000 2.744 310 D HA 0.346 5.009 4.640 0.038 0.000 0.304 310 D C -0.751 175.552 176.300 0.005 0.000 1.179 310 D CA -0.093 53.910 54.000 0.006 0.000 1.024 310 D CB 1.676 42.477 40.800 0.002 0.000 1.453 310 D HN 0.238 nan 8.370 nan 0.000 0.529 311 T N -0.872 113.678 114.554 -0.007 0.000 2.940 311 T HA 0.188 4.561 4.350 0.038 0.000 0.309 311 T C -1.828 172.864 174.700 -0.013 0.000 1.056 311 T CA -0.730 61.358 62.100 -0.020 0.000 1.137 311 T CB 0.975 69.825 68.868 -0.030 0.000 0.976 311 T HN 0.106 nan 8.240 nan 0.000 0.547 312 P HA -0.114 nan 4.420 nan 0.000 0.216 312 P C 1.480 178.774 177.300 -0.011 0.000 1.150 312 P CA 1.120 64.209 63.100 -0.018 0.000 0.843 312 P CB 0.097 31.758 31.700 -0.064 0.000 0.787 313 E N 0.139 120.320 120.200 -0.031 0.000 2.038 313 E HA -0.220 4.153 4.350 0.038 0.000 0.195 313 E C 1.994 178.597 176.600 0.005 0.000 1.000 313 E CA 1.795 58.183 56.400 -0.021 0.000 0.803 313 E CB -1.072 28.608 29.700 -0.034 0.000 0.750 313 E HN 0.074 nan 8.360 nan 0.000 0.448 314 A N 0.473 123.294 122.820 0.002 0.000 1.908 314 A HA -0.149 4.193 4.320 0.038 0.000 0.218 314 A C 2.314 179.915 177.584 0.028 0.000 1.181 314 A CA 1.576 53.619 52.037 0.010 0.000 0.627 314 A CB -0.732 18.268 19.000 0.001 0.000 0.818 314 A HN 0.366 nan 8.150 nan 0.000 0.445 315 L N -0.163 121.085 121.223 0.041 0.000 2.109 315 L HA -0.112 4.251 4.340 0.038 0.000 0.207 315 L C 2.590 179.554 176.870 0.157 0.000 1.086 315 L CA 1.419 56.302 54.840 0.072 0.000 0.760 315 L CB -0.615 41.491 42.059 0.077 0.000 0.910 315 L HN 0.676 nan 8.230 nan 0.000 0.437 316 I N -2.818 117.848 120.570 0.160 0.000 2.500 316 I HA -0.125 4.068 4.170 0.038 0.000 0.252 316 I C 1.985 178.233 176.117 0.218 0.000 1.142 316 I CA 1.214 62.659 61.300 0.242 0.000 1.451 316 I CB -0.441 37.610 38.000 0.086 0.000 1.093 316 I HN 0.154 nan 8.210 nan 0.000 0.430 317 N N 1.490 120.258 118.700 0.113 0.000 2.244 317 N HA -0.124 4.639 4.740 0.038 0.000 0.183 317 N C 1.805 177.356 175.510 0.068 0.000 1.016 317 N CA 2.188 55.286 53.050 0.081 0.000 0.866 317 N CB -0.367 38.146 38.487 0.043 0.000 0.980 317 N HN 0.695 nan 8.380 nan 0.000 0.430 318 T N -3.771 110.811 114.554 0.046 0.000 3.040 318 T HA 0.344 4.716 4.350 0.038 0.000 0.266 318 T C 0.847 175.493 174.700 -0.089 0.000 1.005 318 T CA -0.428 61.666 62.100 -0.011 0.000 0.906 318 T CB 0.082 68.939 68.868 -0.018 0.000 1.082 318 T HN 0.047 nan 8.240 nan 0.000 0.531 319 G N 0.732 109.445 108.800 -0.145 0.000 2.539 319 G HA2 0.441 4.423 3.960 0.038 0.000 0.258 319 G HA3 0.441 4.423 3.960 0.038 0.000 0.258 319 G C -1.165 173.303 174.900 -0.721 0.000 1.202 319 G CA -0.424 44.346 45.100 -0.550 0.000 0.851 319 G HN 0.312 nan 8.290 nan 0.000 0.556 320 D N -0.153 119.792 120.400 -0.757 0.000 2.349 320 D HA 0.405 5.067 4.640 0.038 0.000 0.232 320 D C -0.549 175.385 176.300 -0.609 0.000 1.071 320 D CA -0.683 53.014 54.000 -0.506 0.000 0.832 320 D CB 0.766 41.414 40.800 -0.254 0.000 1.086 320 D HN 0.088 nan 8.370 nan 0.000 0.504 321 F N 2.195 122.148 119.950 0.005 0.000 2.855 321 F HA 0.210 4.760 4.527 0.038 0.000 0.317 321 F C 1.974 177.779 175.800 0.009 0.000 1.169 321 F CA -0.473 57.533 58.000 0.010 0.000 1.299 321 F CB 0.386 39.401 39.000 0.025 0.000 0.962 321 F HN 0.314 nan 8.300 nan 0.000 0.506 322 Q N 0.332 120.191 119.800 0.098 0.000 2.030 322 Q HA -0.181 4.182 4.340 0.038 0.000 0.204 322 Q C 0.280 176.319 176.000 0.065 0.000 0.986 322 Q CA 1.616 57.459 55.803 0.067 0.000 0.843 322 Q CB -0.152 28.598 28.738 0.021 0.000 0.904 322 Q HN 0.352 nan 8.270 nan 0.000 0.420 323 D N 0.143 120.572 120.400 0.049 0.000 2.889 323 D HA 0.230 4.892 4.640 0.038 0.000 0.243 323 D C -0.887 175.441 176.300 0.046 0.000 1.270 323 D CA 0.002 54.023 54.000 0.035 0.000 0.838 323 D CB -0.082 40.724 40.800 0.009 0.000 1.040 323 D HN -0.041 nan 8.370 nan 0.000 0.480 324 L N 0.717 121.992 121.223 0.087 0.000 2.365 324 L HA 0.464 4.827 4.340 0.038 0.000 0.273 324 L C -1.108 175.832 176.870 0.116 0.000 1.000 324 L CA -0.565 54.336 54.840 0.103 0.000 0.819 324 L CB 1.894 44.047 42.059 0.158 0.000 1.284 324 L HN -0.188 nan 8.230 nan 0.000 0.418 325 Q N 3.040 122.921 119.800 0.135 0.000 2.312 325 Q HA 0.817 5.179 4.340 0.038 0.000 0.263 325 Q C -1.455 174.777 176.000 0.387 0.000 0.995 325 Q CA -0.529 55.409 55.803 0.226 0.000 0.853 325 Q CB 2.616 31.447 28.738 0.156 0.000 1.300 325 Q HN 0.454 nan 8.270 nan 0.000 0.448 326 V N 2.090 122.232 119.914 0.380 0.000 2.760 326 V HA 0.475 4.618 4.120 0.038 0.000 0.309 326 V C -1.492 174.581 176.094 -0.035 0.000 1.077 326 V CA -0.867 61.572 62.300 0.232 0.000 0.910 326 V CB 1.938 33.800 31.823 0.066 0.000 1.008 326 V HN 0.607 nan 8.190 nan 0.000 0.424 327 L N 6.526 127.502 121.223 -0.411 0.000 2.305 327 L HA 0.880 5.243 4.340 0.038 0.000 0.284 327 L C -0.389 176.357 176.870 -0.206 0.000 1.013 327 L CA -0.110 54.391 54.840 -0.564 0.000 0.819 327 L CB 1.556 42.826 42.059 -1.316 0.000 1.227 327 L HN 0.648 nan 8.230 nan 0.000 0.417 328 V N 2.139 121.992 119.914 -0.102 0.000 2.962 328 V HA 1.130 5.273 4.120 0.038 0.000 0.313 328 V C -0.106 175.754 176.094 -0.390 0.000 1.099 328 V CA 0.121 62.344 62.300 -0.129 0.000 0.971 328 V CB 1.158 32.882 31.823 -0.165 0.000 1.028 328 V HN 1.022 nan 8.190 nan 0.000 0.430 329 G N 0.657 109.083 108.800 -0.623 0.000 2.488 329 G HA2 0.769 4.751 3.960 0.038 0.000 0.301 329 G HA3 0.769 4.751 3.960 0.038 0.000 0.301 329 G C -1.221 173.377 174.900 -0.502 0.000 1.339 329 G CA 0.067 44.439 45.100 -1.213 0.000 0.803 329 G HN 2.063 nan 8.290 nan 0.000 0.482 330 V N -2.255 117.504 119.914 -0.257 0.000 3.114 330 V HA 0.908 5.051 4.120 0.038 0.000 0.308 330 V C 0.294 176.584 176.094 0.325 0.000 1.168 330 V CA -0.451 61.909 62.300 0.099 0.000 1.015 330 V CB 1.125 32.984 31.823 0.061 0.000 1.050 330 V HN 1.838 nan 8.190 nan 0.000 0.433 331 V N 0.112 120.229 119.914 0.339 0.000 2.997 331 V HA 0.540 4.683 4.120 0.038 0.000 0.311 331 V C 1.467 177.755 176.094 0.323 0.000 1.066 331 V CA 0.111 62.662 62.300 0.418 0.000 1.039 331 V CB 1.186 33.242 31.823 0.388 0.000 1.081 331 V HN 1.118 nan 8.190 nan 0.000 0.467 332 K N -0.008 120.577 120.400 0.308 0.000 2.147 332 K HA -0.080 4.263 4.320 0.038 0.000 0.205 332 K C 0.334 177.059 176.600 0.208 0.000 1.049 332 K CA 1.866 58.287 56.287 0.224 0.000 0.936 332 K CB 0.077 32.680 32.500 0.171 0.000 0.722 332 K HN 0.912 nan 8.250 nan 0.000 0.446 333 D N 1.030 121.564 120.400 0.224 0.000 2.613 333 D HA 0.028 4.690 4.640 0.038 0.000 0.312 333 D C 0.049 176.501 176.300 0.253 0.000 1.202 333 D CA -0.104 54.024 54.000 0.213 0.000 0.825 333 D CB 1.296 42.200 40.800 0.173 0.000 1.113 333 D HN 0.123 nan 8.370 nan 0.000 0.502 334 E N 0.547 120.913 120.200 0.277 0.000 2.130 334 E HA -0.138 4.235 4.350 0.038 0.000 0.196 334 E C 1.938 178.786 176.600 0.413 0.000 0.998 334 E CA 0.861 57.476 56.400 0.358 0.000 0.806 334 E CB 0.138 30.017 29.700 0.299 0.000 0.738 334 E HN 0.459 nan 8.360 nan 0.000 0.459 335 G N 0.762 109.755 108.800 0.322 0.000 2.539 335 G HA2 -0.154 3.828 3.960 0.038 0.000 0.215 335 G HA3 -0.154 3.828 3.960 0.038 0.000 0.215 335 G C 1.717 176.844 174.900 0.379 0.000 1.141 335 G CA 0.798 46.107 45.100 0.349 0.000 0.806 335 G HN 0.368 nan 8.290 nan 0.000 0.533 336 S N 0.456 116.331 115.700 0.292 0.000 2.365 336 S HA -0.298 4.195 4.470 0.038 0.000 0.225 336 S C 2.161 176.838 174.600 0.129 0.000 1.039 336 S CA 1.542 59.886 58.200 0.241 0.000 1.033 336 S CB -0.846 62.411 63.200 0.095 0.000 0.887 336 S HN 0.524 nan 8.310 nan 0.000 0.447 337 Y N 1.825 122.051 120.300 -0.123 0.000 2.207 337 Y HA -0.070 4.502 4.550 0.037 0.000 0.287 337 Y C 1.657 177.417 175.900 -0.232 0.000 1.156 337 Y CA 1.463 59.320 58.100 -0.404 0.000 1.182 337 Y CB -0.523 37.585 38.460 -0.586 0.000 0.979 337 Y HN 0.258 nan 8.280 nan 0.000 0.521 338 F N -0.269 119.704 119.950 0.039 0.000 2.456 338 F HA -0.051 4.498 4.527 0.037 0.000 0.298 338 F C 1.944 177.753 175.800 0.015 0.000 1.104 338 F CA 0.615 58.617 58.000 0.003 0.000 1.435 338 F CB -0.373 38.644 39.000 0.028 0.000 1.078 338 F HN 0.030 nan 8.300 nan 0.000 0.546 339 L N -0.007 121.298 121.223 0.136 0.000 2.131 339 L HA -0.161 4.202 4.340 0.038 0.000 0.210 339 L C 2.395 179.288 176.870 0.038 0.000 1.092 339 L CA 1.102 55.901 54.840 -0.068 0.000 0.759 339 L CB -0.847 40.983 42.059 -0.382 0.000 0.903 339 L HN 0.179 nan 8.230 nan 0.000 0.435 340 V N -4.882 115.086 119.914 0.090 0.000 3.380 340 V HA -0.161 3.981 4.120 0.038 0.000 0.268 340 V C 1.206 177.166 176.094 -0.223 0.000 1.168 340 V CA 0.782 63.108 62.300 0.044 0.000 1.156 340 V CB -1.118 30.764 31.823 0.099 0.000 0.785 340 V HN 0.317 nan 8.190 nan 0.000 0.487 341 Y N 1.500 121.769 120.300 -0.052 0.000 2.683 341 Y HA 0.672 5.245 4.550 0.038 0.000 0.297 341 Y C 1.661 177.515 175.900 -0.078 0.000 1.147 341 Y CA 0.337 58.376 58.100 -0.102 0.000 1.274 341 Y CB 0.696 39.057 38.460 -0.165 0.000 1.143 341 Y HN 0.395 nan 8.280 nan 0.000 0.527 342 G N -1.439 107.392 108.800 0.052 0.000 3.751 342 G HA2 -0.097 3.885 3.960 0.038 0.000 0.216 342 G HA3 -0.097 3.885 3.960 0.038 0.000 0.216 342 G C -0.625 174.306 174.900 0.051 0.000 0.911 342 G CA -0.462 44.660 45.100 0.036 0.000 0.869 342 G HN -0.061 nan 8.290 nan 0.000 0.462 343 V N 3.450 123.405 119.914 0.068 0.000 2.432 343 V HA 0.407 4.550 4.120 0.038 0.000 0.271 343 V C -1.895 174.341 176.094 0.237 0.000 1.046 343 V CA -1.394 60.974 62.300 0.113 0.000 0.945 343 V CB 1.074 32.904 31.823 0.010 0.000 0.992 343 V HN 0.103 nan 8.190 nan 0.000 0.471 344 P HA 0.288 nan 4.420 nan 0.000 0.266 344 P C 1.011 178.411 177.300 0.167 0.000 1.195 344 P CA 1.113 64.297 63.100 0.141 0.000 0.768 344 P CB 0.751 32.498 31.700 0.078 0.000 0.838 345 G N 0.719 109.543 108.800 0.040 0.000 2.232 345 G HA2 -0.213 3.769 3.960 0.038 0.000 0.226 345 G HA3 -0.213 3.769 3.960 0.038 0.000 0.226 345 G C -0.194 174.485 174.900 -0.368 0.000 0.996 345 G CA -0.552 44.441 45.100 -0.180 0.000 0.626 345 G HN 0.402 nan 8.290 nan 0.000 0.509 346 F N 1.423 121.352 119.950 -0.035 0.000 2.443 346 F HA 0.796 5.345 4.527 0.037 0.000 0.335 346 F C 0.565 176.418 175.800 0.089 0.000 1.104 346 F CA -0.124 57.863 58.000 -0.020 0.000 1.013 346 F CB 2.341 41.363 39.000 0.036 0.000 1.136 346 F HN 0.195 nan 8.300 nan 0.000 0.470 347 S N 1.604 117.506 115.700 0.337 0.000 2.558 347 S HA 0.233 4.726 4.470 0.038 0.000 0.277 347 S C 0.215 175.081 174.600 0.443 0.000 1.143 347 S CA -0.867 57.533 58.200 0.334 0.000 0.865 347 S CB 1.200 64.505 63.200 0.175 0.000 1.102 347 S HN 0.767 nan 8.310 nan 0.000 0.454 348 K N 1.587 122.162 120.400 0.291 0.000 2.288 348 K HA 0.065 4.408 4.320 0.038 0.000 0.201 348 K C 0.274 176.885 176.600 0.018 0.000 1.048 348 K CA 1.479 57.845 56.287 0.131 0.000 0.956 348 K CB -0.124 32.214 32.500 -0.271 0.000 0.746 348 K HN 0.439 nan 8.250 nan 0.000 0.461 349 D N 0.866 121.251 120.400 -0.025 0.000 2.349 349 D HA -0.007 4.656 4.640 0.038 0.000 0.215 349 D C -0.204 176.108 176.300 0.020 0.000 1.016 349 D CA 0.378 54.345 54.000 -0.056 0.000 0.870 349 D CB 0.004 40.757 40.800 -0.078 0.000 0.917 349 D HN 0.512 nan 8.370 nan 0.000 0.524 350 N N -1.226 117.525 118.700 0.084 0.000 3.102 350 N HA 0.130 4.892 4.740 0.038 0.000 0.299 350 N C 0.265 175.827 175.510 0.087 0.000 1.482 350 N CA -0.631 52.449 53.050 0.049 0.000 0.785 350 N CB 0.747 39.221 38.487 -0.023 0.000 1.680 350 N HN -0.342 nan 8.380 nan 0.000 0.594 351 E N -0.654 119.532 120.200 -0.024 0.000 2.482 351 E HA 0.050 4.423 4.350 0.038 0.000 0.196 351 E C -0.519 175.759 176.600 -0.536 0.000 1.047 351 E CA 0.293 56.633 56.400 -0.100 0.000 0.869 351 E CB -0.205 29.460 29.700 -0.058 0.000 0.836 351 E HN 0.553 nan 8.360 nan 0.000 0.520 352 S N 0.184 115.559 115.700 -0.541 0.000 3.682 352 S HA -0.183 4.310 4.470 0.038 0.000 0.354 352 S C 0.067 174.211 174.600 -0.759 0.000 1.034 352 S CA 0.103 57.816 58.200 -0.812 0.000 1.084 352 S CB -1.489 60.914 63.200 -1.327 0.000 0.903 352 S HN 0.303 nan 8.310 nan 0.000 0.470 353 L N 1.743 122.689 121.223 -0.463 0.000 2.418 353 L HA 0.454 4.817 4.340 0.038 0.000 0.274 353 L C 0.668 177.339 176.870 -0.332 0.000 1.135 353 L CA 0.027 54.665 54.840 -0.337 0.000 0.870 353 L CB 0.201 42.135 42.059 -0.208 0.000 1.154 353 L HN 0.454 nan 8.230 nan 0.000 0.462 354 I N 0.083 120.469 120.570 -0.307 0.000 2.846 354 I HA 0.643 4.836 4.170 0.038 0.000 0.307 354 I C 0.385 176.438 176.117 -0.108 0.000 1.053 354 I CA -0.689 60.469 61.300 -0.237 0.000 1.050 354 I CB 2.089 39.920 38.000 -0.281 0.000 1.239 354 I HN 0.541 nan 8.210 nan 0.000 0.439 355 S N 2.711 118.377 115.700 -0.056 0.000 2.645 355 S HA 0.358 4.850 4.470 0.038 0.000 0.266 355 S C 0.968 175.598 174.600 0.049 0.000 1.258 355 S CA -0.417 57.777 58.200 -0.011 0.000 0.990 355 S CB 1.513 64.712 63.200 -0.002 0.000 0.967 355 S HN 0.895 nan 8.310 nan 0.000 0.556 356 R N 0.536 121.069 120.500 0.056 0.000 2.091 356 R HA -0.095 4.268 4.340 0.038 0.000 0.238 356 R C 2.419 178.811 176.300 0.154 0.000 1.136 356 R CA 1.594 57.767 56.100 0.122 0.000 0.959 356 R CB -1.169 29.180 30.300 0.082 0.000 0.856 356 R HN 0.847 nan 8.270 nan 0.000 0.437 357 A N 0.577 123.453 122.820 0.092 0.000 1.917 357 A HA -0.256 4.086 4.320 0.038 0.000 0.219 357 A C 2.052 179.686 177.584 0.084 0.000 1.182 357 A CA 1.750 53.831 52.037 0.074 0.000 0.633 357 A CB -0.554 18.474 19.000 0.046 0.000 0.819 357 A HN 0.535 nan 8.150 nan 0.000 0.448 358 Q N -2.052 117.805 119.800 0.096 0.000 2.167 358 Q HA -0.066 4.296 4.340 0.038 0.000 0.202 358 Q C 1.856 177.978 176.000 0.203 0.000 0.970 358 Q CA 1.270 57.143 55.803 0.116 0.000 0.855 358 Q CB -0.232 28.551 28.738 0.075 0.000 0.911 358 Q HN 0.819 nan 8.270 nan 0.000 0.438 359 F N 1.035 121.024 119.950 0.064 0.000 2.084 359 F HA -0.214 4.339 4.527 0.043 0.000 0.296 359 F C 1.783 177.624 175.800 0.067 0.000 1.111 359 F CA 0.964 59.011 58.000 0.079 0.000 1.224 359 F CB 0.075 39.106 39.000 0.051 0.000 0.991 359 F HN -0.030 nan 8.300 nan 0.000 0.471 360 L N 0.289 121.471 121.223 -0.068 0.000 2.079 360 L HA -0.256 4.107 4.340 0.038 0.000 0.210 360 L C 2.786 179.590 176.870 -0.110 0.000 1.081 360 L CA 1.372 56.118 54.840 -0.156 0.000 0.752 360 L CB -1.475 40.572 42.059 -0.021 0.000 0.896 360 L HN 0.313 nan 8.230 nan 0.000 0.433 361 A N 0.197 123.000 122.820 -0.028 0.000 1.968 361 A HA -0.016 4.327 4.320 0.038 0.000 0.217 361 A C 2.399 179.978 177.584 -0.009 0.000 1.169 361 A CA 1.370 53.404 52.037 -0.005 0.000 0.638 361 A CB -0.894 18.123 19.000 0.029 0.000 0.812 361 A HN 0.426 nan 8.150 nan 0.000 0.446 362 G N -0.518 108.285 108.800 0.005 0.000 2.408 362 G HA2 -0.053 3.929 3.960 0.038 0.000 0.217 362 G HA3 -0.053 3.929 3.960 0.038 0.000 0.217 362 G C 1.441 176.304 174.900 -0.062 0.000 1.150 362 G CA 1.133 46.242 45.100 0.015 0.000 0.776 362 G HN 0.287 nan 8.290 nan 0.000 0.542 363 V N 1.150 120.962 119.914 -0.171 0.000 2.407 363 V HA -0.143 3.999 4.120 0.038 0.000 0.248 363 V C 2.966 179.009 176.094 -0.085 0.000 1.055 363 V CA 1.604 63.797 62.300 -0.178 0.000 1.049 363 V CB -0.386 31.243 31.823 -0.324 0.000 0.662 363 V HN 0.231 nan 8.190 nan 0.000 0.455 364 R N 0.014 120.473 120.500 -0.068 0.000 2.092 364 R HA 0.042 4.405 4.340 0.038 0.000 0.231 364 R C 2.099 178.389 176.300 -0.017 0.000 1.119 364 R CA 1.353 57.433 56.100 -0.034 0.000 0.970 364 R CB -0.811 29.474 30.300 -0.024 0.000 0.864 364 R HN 0.465 nan 8.270 nan 0.000 0.440 365 I N -0.146 120.416 120.570 -0.013 0.000 2.353 365 I HA -0.097 4.095 4.170 0.038 0.000 0.248 365 I C 2.257 178.376 176.117 0.003 0.000 1.119 365 I CA 1.490 62.791 61.300 0.000 0.000 1.417 365 I CB -0.553 37.452 38.000 0.009 0.000 1.078 365 I HN 0.206 nan 8.210 nan 0.000 0.421 366 G N 0.304 109.100 108.800 -0.008 0.000 2.511 366 G HA2 0.009 3.992 3.960 0.038 0.000 0.217 366 G HA3 0.009 3.992 3.960 0.038 0.000 0.217 366 G C 0.810 175.722 174.900 0.020 0.000 1.133 366 G CA 0.297 45.398 45.100 0.003 0.000 0.792 366 G HN 0.234 nan 8.290 nan 0.000 0.539 367 V N 2.166 122.072 119.914 -0.012 0.000 2.320 367 V HA 0.218 4.360 4.120 0.038 0.000 0.257 367 V C -1.463 174.624 176.094 -0.011 0.000 0.996 367 V CA -1.055 61.208 62.300 -0.062 0.000 0.928 367 V CB 1.643 33.401 31.823 -0.109 0.000 1.169 367 V HN 0.072 nan 8.190 nan 0.000 0.475 368 P HA -0.109 nan 4.420 nan 0.000 0.221 368 P C 1.022 178.331 177.300 0.015 0.000 1.150 368 P CA 0.983 64.093 63.100 0.016 0.000 0.800 368 P CB 0.603 32.315 31.700 0.019 0.000 0.787 369 Q N -0.329 119.488 119.800 0.030 0.000 2.425 369 Q HA 0.249 4.611 4.340 0.038 0.000 0.204 369 Q C 0.890 176.894 176.000 0.007 0.000 0.933 369 Q CA 0.010 55.825 55.803 0.020 0.000 0.939 369 Q CB -0.574 28.186 28.738 0.036 0.000 1.044 369 Q HN 0.179 nan 8.270 nan 0.000 0.513 370 A N 0.913 123.733 122.820 -0.001 0.000 2.488 370 A HA 0.390 4.733 4.320 0.038 0.000 0.249 370 A C 0.463 178.039 177.584 -0.012 0.000 1.083 370 A CA -0.170 51.859 52.037 -0.013 0.000 0.768 370 A CB 0.120 19.109 19.000 -0.018 0.000 1.017 370 A HN 0.344 nan 8.150 nan 0.000 0.496 371 S N 1.958 117.648 115.700 -0.017 0.000 2.617 371 S HA 0.141 4.634 4.470 0.038 0.000 0.259 371 S C 0.435 175.032 174.600 -0.004 0.000 1.301 371 S CA 0.202 58.394 58.200 -0.012 0.000 0.984 371 S CB 0.401 63.590 63.200 -0.018 0.000 0.954 371 S HN 0.625 nan 8.310 nan 0.000 0.572 372 D N 0.317 120.717 120.400 0.000 0.000 2.116 372 D HA -0.112 4.551 4.640 0.038 0.000 0.193 372 D C 1.755 178.066 176.300 0.019 0.000 0.998 372 D CA 1.265 55.270 54.000 0.008 0.000 0.836 372 D CB -0.530 40.276 40.800 0.009 0.000 0.951 372 D HN 0.418 nan 8.370 nan 0.000 0.449 373 L N 0.649 121.884 121.223 0.021 0.000 2.017 373 L HA -0.038 4.325 4.340 0.038 0.000 0.208 373 L C 2.072 178.977 176.870 0.057 0.000 1.073 373 L CA 1.847 56.711 54.840 0.040 0.000 0.745 373 L CB -0.894 41.185 42.059 0.033 0.000 0.894 373 L HN 0.011 nan 8.230 nan 0.000 0.432 374 A N -0.500 122.336 122.820 0.027 0.000 1.933 374 A HA -0.109 4.234 4.320 0.038 0.000 0.218 374 A C 2.439 180.051 177.584 0.047 0.000 1.175 374 A CA 1.818 53.868 52.037 0.021 0.000 0.628 374 A CB -1.154 17.821 19.000 -0.042 0.000 0.814 374 A HN 0.580 nan 8.150 nan 0.000 0.444 375 A N -0.268 122.569 122.820 0.028 0.000 1.930 375 A HA -0.144 4.199 4.320 0.038 0.000 0.217 375 A C 1.892 179.504 177.584 0.046 0.000 1.175 375 A CA 1.598 53.648 52.037 0.021 0.000 0.627 375 A CB -0.467 18.530 19.000 -0.006 0.000 0.815 375 A HN 0.640 nan 8.150 nan 0.000 0.443 376 E N -0.204 120.035 120.200 0.065 0.000 2.106 376 E HA -0.070 4.303 4.350 0.038 0.000 0.192 376 E C 2.285 178.970 176.600 0.141 0.000 0.984 376 E CA 0.847 57.303 56.400 0.093 0.000 0.806 376 E CB -0.267 29.484 29.700 0.084 0.000 0.750 376 E HN 0.624 nan 8.360 nan 0.000 0.458 377 A N 0.899 123.823 122.820 0.172 0.000 1.902 377 A HA -0.151 4.192 4.320 0.038 0.000 0.217 377 A C 2.490 180.212 177.584 0.231 0.000 1.181 377 A CA 1.172 53.357 52.037 0.246 0.000 0.623 377 A CB -0.650 18.599 19.000 0.414 0.000 0.818 377 A HN 0.116 nan 8.150 nan 0.000 0.443 378 V N -0.414 119.656 119.914 0.260 0.000 2.295 378 V HA -0.236 3.907 4.120 0.038 0.000 0.246 378 V C 2.563 178.835 176.094 0.298 0.000 1.049 378 V CA 2.014 64.470 62.300 0.259 0.000 1.024 378 V CB -0.856 31.084 31.823 0.195 0.000 0.648 378 V HN 0.366 nan 8.190 nan 0.000 0.447 379 V N -0.215 119.809 119.914 0.184 0.000 2.343 379 V HA -0.242 3.900 4.120 0.038 0.000 0.247 379 V C 2.295 178.595 176.094 0.344 0.000 1.051 379 V CA 1.915 64.355 62.300 0.233 0.000 1.036 379 V CB -0.499 31.382 31.823 0.097 0.000 0.654 379 V HN 0.446 nan 8.190 nan 0.000 0.451 380 L N -0.652 120.757 121.223 0.311 0.000 2.141 380 L HA -0.184 4.179 4.340 0.038 0.000 0.209 380 L C 2.522 179.586 176.870 0.323 0.000 1.094 380 L CA 1.944 57.038 54.840 0.423 0.000 0.763 380 L CB -0.764 41.467 42.059 0.286 0.000 0.908 380 L HN 0.480 nan 8.230 nan 0.000 0.437 381 H N -0.846 118.213 119.070 -0.019 0.000 2.395 381 H HA -0.166 4.414 4.556 0.041 0.000 0.299 381 H C 1.814 177.006 175.328 -0.227 0.000 1.070 381 H CA 1.779 57.648 56.048 -0.297 0.000 1.356 381 H CB 0.070 29.281 29.762 -0.918 0.000 1.401 381 H HN 0.230 nan 8.280 nan 0.000 0.524 382 Y N -0.075 120.265 120.300 0.066 0.000 2.500 382 Y HA 0.132 4.704 4.550 0.036 0.000 0.270 382 Y C 0.748 176.609 175.900 -0.064 0.000 1.134 382 Y CA 0.267 58.418 58.100 0.085 0.000 1.293 382 Y CB 0.391 39.055 38.460 0.340 0.000 1.063 382 Y HN 0.036 nan 8.280 nan 0.000 0.534 383 T N 1.761 116.298 114.554 -0.028 0.000 2.902 383 T HA -0.090 4.282 4.350 0.038 0.000 0.301 383 T C -0.155 174.192 174.700 -0.588 0.000 1.012 383 T CA -0.073 61.732 62.100 -0.492 0.000 1.151 383 T CB 0.193 68.427 68.868 -1.056 0.000 0.946 383 T HN 0.097 nan 8.240 nan 0.000 0.542 384 D N 2.238 122.353 120.400 -0.475 0.000 2.365 384 D HA 0.068 4.731 4.640 0.038 0.000 0.237 384 D C 0.037 176.084 176.300 -0.422 0.000 1.190 384 D CA -0.491 53.314 54.000 -0.326 0.000 0.867 384 D CB 0.447 41.132 40.800 -0.192 0.000 1.050 384 D HN 0.641 nan 8.370 nan 0.000 0.491 385 W N 3.158 124.388 121.300 -0.117 0.000 2.825 385 W HA 0.056 4.737 4.660 0.034 0.000 0.243 385 W C 1.929 178.340 176.519 -0.180 0.000 1.293 385 W CA -0.269 57.004 57.345 -0.120 0.000 1.403 385 W CB 0.156 29.560 29.460 -0.093 0.000 1.134 385 W HN 0.434 nan 8.180 nan 0.000 0.666 386 L N -1.353 119.785 121.223 -0.143 0.000 2.270 386 L HA -0.038 4.325 4.340 0.038 0.000 0.210 386 L C 0.345 176.809 176.870 -0.677 0.000 1.104 386 L CA 1.037 55.629 54.840 -0.413 0.000 0.804 386 L CB -0.232 41.486 42.059 -0.567 0.000 0.937 386 L HN 0.016 nan 8.230 nan 0.000 0.450 387 H N -1.799 117.116 119.070 -0.258 0.000 2.624 387 H HA 0.151 4.714 4.556 0.011 0.000 0.233 387 H C -1.795 173.323 175.328 -0.351 0.000 1.376 387 H CA -1.231 54.611 56.048 -0.342 0.000 1.137 387 H CB 0.146 29.515 29.762 -0.656 0.000 1.867 387 H HN -0.019 nan 8.280 nan 0.000 0.547 388 P HA -0.149 nan 4.420 nan 0.000 0.222 388 P C 0.693 177.873 177.300 -0.200 0.000 1.147 388 P CA 1.216 64.126 63.100 -0.317 0.000 0.790 388 P CB 0.647 32.199 31.700 -0.246 0.000 0.780 389 E N -0.465 119.674 120.200 -0.102 0.000 2.498 389 E HA 0.041 4.413 4.350 0.038 0.000 0.203 389 E C -0.018 176.552 176.600 -0.050 0.000 1.013 389 E CA -0.084 56.281 56.400 -0.058 0.000 0.927 389 E CB -0.093 29.595 29.700 -0.020 0.000 1.012 389 E HN 0.245 nan 8.360 nan 0.000 0.482 390 D N 2.296 122.667 120.400 -0.048 0.000 2.382 390 D HA 0.019 4.682 4.640 0.038 0.000 0.259 390 D C -1.673 174.619 176.300 -0.012 0.000 1.224 390 D CA -1.866 52.134 54.000 -0.001 0.000 0.894 390 D CB 1.391 42.229 40.800 0.063 0.000 1.127 390 D HN -0.195 nan 8.370 nan 0.000 0.487 391 P HA -0.130 nan 4.420 nan 0.000 0.216 391 P C 1.155 178.397 177.300 -0.096 0.000 1.150 391 P CA 1.110 64.161 63.100 -0.082 0.000 0.837 391 P CB 0.202 31.845 31.700 -0.096 0.000 0.786 392 T N -1.835 112.676 114.554 -0.072 0.000 2.746 392 T HA -0.170 4.203 4.350 0.038 0.000 0.267 392 T C 1.529 176.163 174.700 -0.110 0.000 1.039 392 T CA 1.558 63.599 62.100 -0.099 0.000 1.142 392 T CB -0.995 67.807 68.868 -0.110 0.000 0.866 392 T HN 0.266 nan 8.240 nan 0.000 0.444 393 H N 0.546 119.546 119.070 -0.116 0.000 2.321 393 H HA 0.101 4.673 4.556 0.027 0.000 0.300 393 H C 2.157 177.370 175.328 -0.192 0.000 1.087 393 H CA 1.200 57.171 56.048 -0.127 0.000 1.319 393 H CB -0.333 29.349 29.762 -0.133 0.000 1.379 393 H HN 0.190 nan 8.280 nan 0.000 0.501 394 L N -0.014 121.136 121.223 -0.122 0.000 2.027 394 L HA -0.171 4.191 4.340 0.038 0.000 0.206 394 L C 2.772 179.538 176.870 -0.174 0.000 1.074 394 L CA 1.184 55.818 54.840 -0.343 0.000 0.745 394 L CB -0.364 41.535 42.059 -0.268 0.000 0.898 394 L HN 0.241 nan 8.230 nan 0.000 0.433 395 R N 0.566 121.034 120.500 -0.054 0.000 2.083 395 R HA -0.212 4.151 4.340 0.038 0.000 0.237 395 R C 1.678 178.077 176.300 0.164 0.000 1.137 395 R CA 2.309 58.460 56.100 0.085 0.000 0.951 395 R CB -0.502 29.717 30.300 -0.135 0.000 0.851 395 R HN 0.357 nan 8.270 nan 0.000 0.434 396 D N 0.252 120.697 120.400 0.076 0.000 2.144 396 D HA -0.070 4.593 4.640 0.038 0.000 0.200 396 D C 1.755 178.130 176.300 0.126 0.000 0.978 396 D CA 1.381 55.454 54.000 0.121 0.000 0.833 396 D CB -0.215 40.616 40.800 0.052 0.000 0.961 396 D HN 0.390 nan 8.370 nan 0.000 0.470 397 A N 0.744 123.595 122.820 0.051 0.000 1.898 397 A HA -0.165 4.177 4.320 0.038 0.000 0.216 397 A C 2.154 179.826 177.584 0.147 0.000 1.181 397 A CA 1.538 53.624 52.037 0.082 0.000 0.620 397 A CB -0.499 18.417 19.000 -0.140 0.000 0.819 397 A HN 0.147 nan 8.150 nan 0.000 0.442 398 M N 0.142 119.876 119.600 0.223 0.000 2.080 398 M HA -0.133 4.370 4.480 0.038 0.000 0.260 398 M C 2.323 178.691 176.300 0.113 0.000 1.068 398 M CA 2.275 57.756 55.300 0.301 0.000 1.109 398 M CB -0.569 32.243 32.600 0.353 0.000 1.342 398 M HN 0.432 nan 8.290 nan 0.000 0.405 399 S N -0.315 115.470 115.700 0.141 0.000 2.359 399 S HA -0.132 4.361 4.470 0.038 0.000 0.224 399 S C 2.064 176.748 174.600 0.139 0.000 1.035 399 S CA 1.695 59.992 58.200 0.162 0.000 1.018 399 S CB -0.677 62.684 63.200 0.268 0.000 0.876 399 S HN 0.639 nan 8.310 nan 0.000 0.448 400 A N 0.909 123.816 122.820 0.146 0.000 1.877 400 A HA -0.009 4.333 4.320 0.038 0.000 0.216 400 A C 2.398 180.006 177.584 0.039 0.000 1.186 400 A CA 1.848 53.992 52.037 0.177 0.000 0.620 400 A CB -1.212 17.992 19.000 0.340 0.000 0.822 400 A HN 0.476 nan 8.150 nan 0.000 0.443 401 V N -0.372 119.399 119.914 -0.238 0.000 2.282 401 V HA -0.264 3.879 4.120 0.038 0.000 0.249 401 V C 2.575 178.623 176.094 -0.076 0.000 1.057 401 V CA 2.201 64.326 62.300 -0.291 0.000 1.032 401 V CB -0.743 30.934 31.823 -0.243 0.000 0.645 401 V HN 0.392 nan 8.190 nan 0.000 0.447 402 V N 0.517 120.404 119.914 -0.045 0.000 2.379 402 V HA -0.096 4.047 4.120 0.038 0.000 0.245 402 V C 2.586 178.596 176.094 -0.140 0.000 1.044 402 V CA 1.998 64.259 62.300 -0.066 0.000 1.036 402 V CB -1.221 30.609 31.823 0.011 0.000 0.664 402 V HN 0.605 nan 8.190 nan 0.000 0.453 403 G N -0.331 108.456 108.800 -0.021 0.000 2.408 403 G HA2 -0.208 3.775 3.960 0.038 0.000 0.217 403 G HA3 -0.208 3.775 3.960 0.038 0.000 0.217 403 G C 1.218 176.068 174.900 -0.085 0.000 1.150 403 G CA 0.946 46.047 45.100 0.002 0.000 0.776 403 G HN 0.495 nan 8.290 nan 0.000 0.542 404 D N -0.226 120.133 120.400 -0.070 0.000 2.103 404 D HA -0.062 4.601 4.640 0.038 0.000 0.199 404 D C 2.104 178.087 176.300 -0.528 0.000 0.978 404 D CA 1.117 55.038 54.000 -0.132 0.000 0.829 404 D CB -0.530 40.369 40.800 0.166 0.000 0.981 404 D HN 0.357 nan 8.370 nan 0.000 0.464 405 H N 1.040 119.519 119.070 -0.985 0.000 2.352 405 H HA -0.028 4.550 4.556 0.037 0.000 0.299 405 H C 1.426 176.339 175.328 -0.693 0.000 1.097 405 H CA 1.763 57.029 56.048 -1.305 0.000 1.311 405 H CB 0.083 29.109 29.762 -1.227 0.000 1.377 405 H HN 0.011 nan 8.280 nan 0.000 0.504 406 N N -1.082 117.179 118.700 -0.731 0.000 2.415 406 N HA 0.026 4.788 4.740 0.038 0.000 0.174 406 N C 1.279 176.563 175.510 -0.377 0.000 1.048 406 N CA 1.025 53.582 53.050 -0.822 0.000 0.895 406 N CB 1.110 38.510 38.487 -1.812 0.000 1.036 406 N HN 0.269 nan 8.380 nan 0.000 0.449 407 V N -0.295 119.461 119.914 -0.264 0.000 3.278 407 V HA 0.067 4.210 4.120 0.038 0.000 0.215 407 V C 2.190 178.260 176.094 -0.041 0.000 1.287 407 V CA 0.216 62.500 62.300 -0.026 0.000 1.302 407 V CB -0.197 31.689 31.823 0.106 0.000 1.228 407 V HN -0.177 nan 8.190 nan 0.000 0.523 408 V N 0.081 119.970 119.914 -0.042 0.000 2.287 408 V HA -0.291 3.852 4.120 0.038 0.000 0.248 408 V C 2.476 178.542 176.094 -0.047 0.000 1.053 408 V CA 2.558 64.843 62.300 -0.024 0.000 1.027 408 V CB -0.849 30.990 31.823 0.026 0.000 0.646 408 V HN 0.664 nan 8.190 nan 0.000 0.447 409 c N -0.572 117.986 118.600 -0.069 0.000 2.486 409 c HA 0.044 4.636 4.570 0.038 0.000 0.279 409 c C 0.589 174.646 174.090 -0.054 0.000 1.302 409 c CA 0.721 57.033 56.329 -0.027 0.000 1.720 409 c CB -1.717 40.802 42.510 0.015 0.000 2.030 409 c HN 0.445 nan 8.230 nan 0.000 0.490 410 P HA -0.105 nan 4.420 nan 0.000 0.216 410 P C 1.758 179.001 177.300 -0.096 0.000 1.153 410 P CA 1.509 64.540 63.100 -0.114 0.000 0.858 410 P CB -0.167 31.441 31.700 -0.154 0.000 0.789 411 V N 0.005 119.866 119.914 -0.088 0.000 2.295 411 V HA -0.265 3.877 4.120 0.038 0.000 0.246 411 V C 2.465 178.466 176.094 -0.154 0.000 1.049 411 V CA 2.302 64.534 62.300 -0.114 0.000 1.024 411 V CB -1.719 30.037 31.823 -0.112 0.000 0.648 411 V HN 0.107 nan 8.190 nan 0.000 0.447 412 A N -0.390 122.355 122.820 -0.124 0.000 1.902 412 A HA -0.331 4.011 4.320 0.038 0.000 0.217 412 A C 2.209 179.757 177.584 -0.060 0.000 1.181 412 A CA 2.301 54.271 52.037 -0.112 0.000 0.623 412 A CB -0.586 18.403 19.000 -0.019 0.000 0.818 412 A HN 0.616 nan 8.150 nan 0.000 0.443 413 Q N -0.671 119.108 119.800 -0.034 0.000 2.061 413 Q HA -0.178 4.184 4.340 0.038 0.000 0.204 413 Q C 1.892 177.868 176.000 -0.039 0.000 0.984 413 Q CA 1.990 57.785 55.803 -0.014 0.000 0.846 413 Q CB -0.415 28.313 28.738 -0.017 0.000 0.902 413 Q HN 0.527 nan 8.270 nan 0.000 0.421 414 L N 0.244 121.417 121.223 -0.084 0.000 2.017 414 L HA -0.034 4.328 4.340 0.038 0.000 0.208 414 L C 2.256 179.048 176.870 -0.130 0.000 1.073 414 L CA 2.214 56.988 54.840 -0.110 0.000 0.745 414 L CB -1.067 40.913 42.059 -0.131 0.000 0.894 414 L HN 0.311 nan 8.230 nan 0.000 0.432 415 A N -0.437 122.270 122.820 -0.189 0.000 1.892 415 A HA -0.178 4.165 4.320 0.038 0.000 0.218 415 A C 2.327 179.884 177.584 -0.046 0.000 1.188 415 A CA 1.930 53.804 52.037 -0.272 0.000 0.631 415 A CB -1.698 16.872 19.000 -0.716 0.000 0.822 415 A HN 0.563 nan 8.150 nan 0.000 0.447 416 G N -1.154 107.682 108.800 0.059 0.000 2.402 416 G HA2 -0.159 3.823 3.960 0.038 0.000 0.216 416 G HA3 -0.159 3.823 3.960 0.038 0.000 0.216 416 G C 1.678 176.648 174.900 0.116 0.000 1.162 416 G CA 0.755 45.973 45.100 0.198 0.000 0.777 416 G HN 0.377 nan 8.290 nan 0.000 0.539 417 R N 0.293 120.829 120.500 0.061 0.000 2.066 417 R HA 0.141 4.504 4.340 0.038 0.000 0.232 417 R C 2.678 179.032 176.300 0.089 0.000 1.131 417 R CA 0.492 56.637 56.100 0.076 0.000 0.955 417 R CB -1.288 29.051 30.300 0.064 0.000 0.851 417 R HN 0.393 nan 8.270 nan 0.000 0.432 418 L N 0.316 121.524 121.223 -0.025 0.000 2.012 418 L HA -0.178 4.185 4.340 0.038 0.000 0.210 418 L C 2.558 179.465 176.870 0.062 0.000 1.073 418 L CA 1.611 56.394 54.840 -0.094 0.000 0.748 418 L CB -0.701 41.209 42.059 -0.247 0.000 0.891 418 L HN 0.167 nan 8.230 nan 0.000 0.431 419 A N -0.086 122.782 122.820 0.080 0.000 1.902 419 A HA -0.163 4.180 4.320 0.038 0.000 0.217 419 A C 2.505 180.149 177.584 0.100 0.000 1.181 419 A CA 1.758 53.860 52.037 0.108 0.000 0.623 419 A CB -0.713 18.394 19.000 0.178 0.000 0.818 419 A HN 0.414 nan 8.150 nan 0.000 0.443 420 A N -1.288 121.596 122.820 0.106 0.000 1.969 420 A HA -0.099 4.244 4.320 0.038 0.000 0.218 420 A C 1.870 179.516 177.584 0.103 0.000 1.169 420 A CA 1.620 53.712 52.037 0.091 0.000 0.635 420 A CB -0.286 18.765 19.000 0.086 0.000 0.810 420 A HN 0.536 nan 8.150 nan 0.000 0.445 421 Q N -1.556 118.339 119.800 0.159 0.000 2.212 421 Q HA 0.387 4.750 4.340 0.038 0.000 0.213 421 Q C 0.896 177.010 176.000 0.190 0.000 0.874 421 Q CA 0.627 56.540 55.803 0.183 0.000 0.965 421 Q CB 0.376 29.289 28.738 0.292 0.000 1.074 421 Q HN 0.806 nan 8.270 nan 0.000 0.473 422 G N -0.966 107.920 108.800 0.145 0.000 2.213 422 G HA2 -0.250 3.732 3.960 0.038 0.000 0.226 422 G HA3 -0.250 3.732 3.960 0.038 0.000 0.226 422 G C 0.316 175.289 174.900 0.123 0.000 0.992 422 G CA -0.250 44.917 45.100 0.112 0.000 0.632 422 G HN 0.555 nan 8.290 nan 0.000 0.511 423 A N 0.297 123.212 122.820 0.159 0.000 2.445 423 A HA 0.649 4.992 4.320 0.038 0.000 0.242 423 A C 0.743 178.365 177.584 0.063 0.000 1.075 423 A CA 0.710 52.818 52.037 0.118 0.000 0.777 423 A CB 0.238 19.282 19.000 0.072 0.000 1.013 423 A HN 0.881 nan 8.150 nan 0.000 0.493 424 R N 1.872 122.407 120.500 0.057 0.000 2.216 424 R HA 0.482 4.845 4.340 0.038 0.000 0.332 424 R C -1.461 174.835 176.300 -0.006 0.000 1.056 424 R CA -0.137 55.968 56.100 0.007 0.000 0.901 424 R CB 0.300 30.635 30.300 0.057 0.000 1.039 424 R HN 0.451 nan 8.270 nan 0.000 0.456 425 V N 5.787 125.627 119.914 -0.124 0.000 2.604 425 V HA 0.415 4.558 4.120 0.038 0.000 0.305 425 V C -1.175 174.760 176.094 -0.265 0.000 1.043 425 V CA -0.795 61.455 62.300 -0.084 0.000 0.888 425 V CB 1.624 33.451 31.823 0.006 0.000 0.995 425 V HN 0.658 nan 8.190 nan 0.000 0.429 426 Y N 2.097 122.359 120.300 -0.063 0.000 2.376 426 Y HA 0.785 5.357 4.550 0.037 0.000 0.340 426 Y C 0.304 176.273 175.900 0.115 0.000 0.965 426 Y CA -0.547 57.512 58.100 -0.069 0.000 1.078 426 Y CB 2.201 40.271 38.460 -0.649 0.000 1.193 426 Y HN 0.766 nan 8.280 nan 0.000 0.452 427 A N 3.340 126.508 122.820 0.579 0.000 2.355 427 A HA 0.862 5.205 4.320 0.038 0.000 0.324 427 A C -1.754 176.209 177.584 0.631 0.000 1.117 427 A CA -0.684 51.585 52.037 0.388 0.000 0.785 427 A CB 0.849 19.918 19.000 0.115 0.000 1.254 427 A HN 0.741 nan 8.150 nan 0.000 0.453 428 Y N -0.369 120.175 120.300 0.407 0.000 2.581 428 Y HA 0.795 5.368 4.550 0.037 0.000 0.345 428 Y C -1.093 174.987 175.900 0.300 0.000 1.036 428 Y CA -1.661 56.617 58.100 0.297 0.000 1.042 428 Y CB 1.296 39.920 38.460 0.273 0.000 1.289 428 Y HN 0.682 nan 8.280 nan 0.000 0.471 429 I N 3.296 124.183 120.570 0.527 0.000 2.465 429 I HA 0.495 4.688 4.170 0.038 0.000 0.291 429 I C -1.833 174.618 176.117 0.558 0.000 1.014 429 I CA -1.090 60.496 61.300 0.478 0.000 1.093 429 I CB 1.233 39.452 38.000 0.364 0.000 1.267 429 I HN 0.740 nan 8.210 nan 0.000 0.431 430 F N 7.253 127.475 119.950 0.453 0.000 2.404 430 F HA 0.438 4.989 4.527 0.039 0.000 0.354 430 F C 0.326 176.268 175.800 0.238 0.000 1.122 430 F CA -0.026 58.177 58.000 0.339 0.000 1.080 430 F CB 0.996 40.209 39.000 0.355 0.000 1.131 430 F HN 0.551 nan 8.300 nan 0.000 0.471 431 E N 3.184 123.190 120.200 -0.324 0.000 2.714 431 E HA -0.010 4.362 4.350 0.038 0.000 0.219 431 E C -0.874 175.557 176.600 -0.281 0.000 0.979 431 E CA -0.198 56.103 56.400 -0.166 0.000 1.092 431 E CB 0.295 29.952 29.700 -0.073 0.000 1.049 431 E HN 0.538 nan 8.360 nan 0.000 0.487 432 H N 1.614 120.247 119.070 -0.728 0.000 2.562 432 H HA 0.246 4.824 4.556 0.037 0.000 0.314 432 H C -0.434 174.800 175.328 -0.157 0.000 1.079 432 H CA -0.456 55.272 56.048 -0.534 0.000 1.349 432 H CB 0.569 29.826 29.762 -0.842 0.000 1.432 432 H HN -0.144 nan 8.280 nan 0.000 0.479 433 R N 4.179 124.317 120.500 -0.602 0.000 2.221 433 R HA 0.478 4.841 4.340 0.038 0.000 0.327 433 R C -0.582 175.412 176.300 -0.511 0.000 1.033 433 R CA -0.622 55.274 56.100 -0.340 0.000 0.887 433 R CB 0.331 30.533 30.300 -0.163 0.000 1.057 433 R HN 0.824 nan 8.270 nan 0.000 0.455 434 A N 3.107 125.919 122.820 -0.012 0.000 2.546 434 A HA 0.003 4.345 4.320 0.038 0.000 0.243 434 A C 1.359 179.010 177.584 0.112 0.000 1.063 434 A CA 0.493 52.721 52.037 0.319 0.000 0.757 434 A CB 0.313 19.642 19.000 0.549 0.000 0.991 434 A HN 1.017 nan 8.150 nan 0.000 0.503 435 S N 1.641 117.439 115.700 0.163 0.000 2.442 435 S HA -0.175 4.317 4.470 0.038 0.000 0.236 435 S C 1.370 175.940 174.600 -0.051 0.000 1.007 435 S CA 1.711 59.940 58.200 0.049 0.000 0.965 435 S CB -0.833 62.419 63.200 0.087 0.000 0.773 435 S HN 1.208 nan 8.310 nan 0.000 0.504 436 T N -0.861 113.616 114.554 -0.128 0.000 3.107 436 T HA 0.341 4.713 4.350 0.038 0.000 0.249 436 T C 0.403 175.014 174.700 -0.147 0.000 1.096 436 T CA -0.527 61.441 62.100 -0.219 0.000 1.012 436 T CB -0.459 68.125 68.868 -0.473 0.000 0.977 436 T HN 0.238 nan 8.240 nan 0.000 0.527 437 L N 4.230 125.406 121.223 -0.079 0.000 2.540 437 L HA 0.244 4.607 4.340 0.038 0.000 0.276 437 L C 1.488 178.299 176.870 -0.098 0.000 1.212 437 L CA 0.737 55.525 54.840 -0.088 0.000 0.893 437 L CB 0.715 42.727 42.059 -0.078 0.000 1.138 437 L HN 0.430 nan 8.230 nan 0.000 0.491 438 T N -0.255 114.209 114.554 -0.150 0.000 3.022 438 T HA 0.103 4.476 4.350 0.038 0.000 0.250 438 T C 0.411 175.116 174.700 0.009 0.000 1.060 438 T CA -0.431 61.588 62.100 -0.134 0.000 1.013 438 T CB -0.318 68.339 68.868 -0.352 0.000 0.982 438 T HN 0.421 nan 8.240 nan 0.000 0.508 439 W N 3.591 124.915 121.300 0.041 0.000 2.150 439 W HA 0.400 5.082 4.660 0.037 0.000 0.341 439 W C -1.991 174.446 176.519 -0.137 0.000 1.276 439 W CA -2.155 55.190 57.345 0.001 0.000 1.238 439 W CB 0.205 29.600 29.460 -0.109 0.000 1.128 439 W HN -0.010 nan 8.180 nan 0.000 0.581 440 P HA 0.008 nan 4.420 nan 0.000 0.272 440 P C 0.528 177.742 177.300 -0.144 0.000 1.230 440 P CA 0.001 63.065 63.100 -0.061 0.000 0.788 440 P CB 0.927 32.601 31.700 -0.043 0.000 0.949 441 L N 0.491 121.695 121.223 -0.032 0.000 2.127 441 L HA -0.146 4.217 4.340 0.038 0.000 0.211 441 L C 2.517 179.404 176.870 0.028 0.000 1.089 441 L CA 1.467 56.307 54.840 -0.000 0.000 0.757 441 L CB -0.822 41.267 42.059 0.050 0.000 0.899 441 L HN 0.617 nan 8.230 nan 0.000 0.434 442 W N -0.929 120.408 121.300 0.062 0.000 2.465 442 W HA -0.144 4.538 4.660 0.036 0.000 0.268 442 W C 1.728 178.302 176.519 0.091 0.000 1.242 442 W CA 0.463 57.847 57.345 0.065 0.000 1.248 442 W CB -0.757 28.741 29.460 0.063 0.000 1.118 442 W HN 0.169 nan 8.180 nan 0.000 0.587 443 M N 1.412 120.647 119.600 -0.608 0.000 2.630 443 M HA 0.104 4.606 4.480 0.038 0.000 0.254 443 M C 1.810 178.028 176.300 -0.136 0.000 1.092 443 M CA 1.501 56.464 55.300 -0.563 0.000 1.087 443 M CB -0.757 31.383 32.600 -0.767 0.000 1.453 443 M HN 0.212 nan 8.290 nan 0.000 0.509 444 G N 0.715 109.484 108.800 -0.052 0.000 2.591 444 G HA2 -0.295 3.687 3.960 0.038 0.000 0.298 444 G HA3 -0.295 3.687 3.960 0.038 0.000 0.298 444 G C -0.099 174.812 174.900 0.018 0.000 1.195 444 G CA -0.092 45.019 45.100 0.017 0.000 0.989 444 G HN 0.247 nan 8.290 nan 0.000 0.551 445 V N 3.781 123.745 119.914 0.084 0.000 2.270 445 V HA 0.464 4.607 4.120 0.038 0.000 0.263 445 V C -1.769 174.446 176.094 0.202 0.000 1.066 445 V CA -0.727 61.670 62.300 0.161 0.000 0.857 445 V CB 0.959 32.916 31.823 0.224 0.000 1.099 445 V HN 0.544 nan 8.190 nan 0.000 0.476 446 P HA 0.219 nan 4.420 nan 0.000 0.278 446 P C -0.221 177.254 177.300 0.292 0.000 1.258 446 P CA -0.623 62.579 63.100 0.169 0.000 0.811 446 P CB 0.419 32.106 31.700 -0.021 0.000 1.063 447 H N 0.498 119.628 119.070 0.100 0.000 3.167 447 H HA 0.200 4.779 4.556 0.037 0.000 0.306 447 H C 1.568 176.797 175.328 -0.165 0.000 0.965 447 H CA 2.457 58.505 56.048 -0.000 0.000 1.408 447 H CB -0.593 29.154 29.762 -0.025 0.000 1.406 447 H HN 0.774 nan 8.280 nan 0.000 0.576 448 G N 3.263 111.806 108.800 -0.428 0.000 2.234 448 G HA2 -0.322 3.661 3.960 0.038 0.000 0.235 448 G HA3 -0.322 3.661 3.960 0.038 0.000 0.235 448 G C 0.569 175.291 174.900 -0.297 0.000 0.997 448 G CA 0.384 45.207 45.100 -0.461 0.000 0.623 448 G HN 0.648 nan 8.290 nan 0.000 0.514 449 Y N 1.646 122.011 120.300 0.109 0.000 2.470 449 Y HA 0.247 4.820 4.550 0.038 0.000 0.284 449 Y C 2.327 178.333 175.900 0.177 0.000 1.188 449 Y CA 0.870 59.103 58.100 0.221 0.000 1.269 449 Y CB 0.401 39.032 38.460 0.284 0.000 1.094 449 Y HN 0.488 nan 8.280 nan 0.000 0.518 450 E N 0.441 120.558 120.200 -0.139 0.000 2.318 450 E HA -0.085 4.288 4.350 0.038 0.000 0.193 450 E C 1.625 178.089 176.600 -0.228 0.000 0.998 450 E CA 0.813 56.784 56.400 -0.715 0.000 0.859 450 E CB -0.383 28.565 29.700 -1.253 0.000 0.812 450 E HN 0.543 nan 8.360 nan 0.000 0.492 451 I N 2.692 123.219 120.570 -0.072 0.000 2.179 451 I HA -0.290 3.902 4.170 0.038 0.000 0.242 451 I C 2.731 178.834 176.117 -0.024 0.000 1.088 451 I CA 2.033 63.339 61.300 0.009 0.000 1.357 451 I CB -0.468 37.605 38.000 0.123 0.000 1.051 451 I HN 0.222 nan 8.210 nan 0.000 0.409 452 E N 1.063 121.198 120.200 -0.108 0.000 2.209 452 E HA -0.236 4.137 4.350 0.038 0.000 0.196 452 E C 2.017 178.361 176.600 -0.427 0.000 0.993 452 E CA 1.454 57.687 56.400 -0.278 0.000 0.819 452 E CB -0.494 29.021 29.700 -0.307 0.000 0.745 452 E HN 0.439 nan 8.360 nan 0.000 0.477 453 F N 1.217 121.050 119.950 -0.195 0.000 2.187 453 F HA -0.036 4.514 4.527 0.039 0.000 0.295 453 F C 2.310 177.866 175.800 -0.407 0.000 1.091 453 F CA 0.507 58.333 58.000 -0.289 0.000 1.308 453 F CB -0.126 38.780 39.000 -0.156 0.000 1.030 453 F HN -0.015 nan 8.300 nan 0.000 0.487 454 I N -0.789 119.609 120.570 -0.286 0.000 2.286 454 I HA -0.272 3.921 4.170 0.038 0.000 0.248 454 I C 2.113 177.966 176.117 -0.438 0.000 1.115 454 I CA 1.572 62.538 61.300 -0.557 0.000 1.392 454 I CB -1.489 36.036 38.000 -0.792 0.000 1.065 454 I HN 0.081 nan 8.210 nan 0.000 0.418 455 F N 0.883 120.628 119.950 -0.342 0.000 2.558 455 F HA 0.193 4.743 4.527 0.037 0.000 0.298 455 F C 1.884 177.503 175.800 -0.301 0.000 1.119 455 F CA 0.938 58.776 58.000 -0.270 0.000 1.451 455 F CB -0.238 38.594 39.000 -0.281 0.000 1.091 455 F HN 0.290 nan 8.300 nan 0.000 0.563 456 G N -0.091 108.507 108.800 -0.337 0.000 2.140 456 G HA2 -0.264 3.719 3.960 0.038 0.000 0.211 456 G HA3 -0.264 3.719 3.960 0.038 0.000 0.211 456 G C 0.876 175.097 174.900 -1.130 0.000 1.013 456 G CA 0.198 44.970 45.100 -0.547 0.000 0.705 456 G HN 0.272 nan 8.290 nan 0.000 0.508 457 L N 0.362 120.959 121.223 -1.043 0.000 2.083 457 L HA 0.073 4.436 4.340 0.038 0.000 0.209 457 L C 0.424 176.710 176.870 -0.973 0.000 1.083 457 L CA 2.562 56.744 54.840 -1.096 0.000 0.752 457 L CB -0.877 40.814 42.059 -0.614 0.000 0.899 457 L HN 0.189 nan 8.230 nan 0.000 0.433 458 P HA -0.173 nan 4.420 nan 0.000 0.222 458 P C 1.458 178.495 177.300 -0.439 0.000 1.142 458 P CA 1.016 63.484 63.100 -1.053 0.000 0.788 458 P CB 0.017 31.155 31.700 -0.937 0.000 0.767 459 L N -1.459 119.485 121.223 -0.464 0.000 2.478 459 L HA 0.007 4.370 4.340 0.038 0.000 0.223 459 L C 0.881 177.715 176.870 -0.060 0.000 1.140 459 L CA 0.986 55.699 54.840 -0.211 0.000 0.842 459 L CB -1.195 40.776 42.059 -0.146 0.000 0.953 459 L HN -0.056 nan 8.230 nan 0.000 0.452 460 D N 0.687 121.033 120.400 -0.089 0.000 2.365 460 D HA 0.100 4.763 4.640 0.038 0.000 0.237 460 D C -1.494 174.837 176.300 0.052 0.000 1.190 460 D CA -2.188 51.860 54.000 0.080 0.000 0.867 460 D CB 1.433 42.324 40.800 0.153 0.000 1.050 460 D HN -0.012 nan 8.370 nan 0.000 0.491 461 P HA -0.129 nan 4.420 nan 0.000 0.223 461 P C 1.100 178.424 177.300 0.040 0.000 1.151 461 P CA 0.624 63.751 63.100 0.045 0.000 0.787 461 P CB 0.097 31.817 31.700 0.033 0.000 0.788 462 S N -0.539 115.182 115.700 0.035 0.000 2.515 462 S HA -0.019 4.474 4.470 0.038 0.000 0.231 462 S C 1.828 176.432 174.600 0.007 0.000 0.987 462 S CA 0.447 58.656 58.200 0.016 0.000 0.936 462 S CB -1.366 61.841 63.200 0.012 0.000 0.766 462 S HN 0.121 nan 8.310 nan 0.000 0.528 463 L N 0.862 122.107 121.223 0.038 0.000 2.558 463 L HA 0.187 4.550 4.340 0.038 0.000 0.225 463 L C 0.192 177.024 176.870 -0.064 0.000 1.128 463 L CA -0.053 54.798 54.840 0.017 0.000 0.868 463 L CB -0.727 41.419 42.059 0.146 0.000 1.006 463 L HN 0.266 nan 8.230 nan 0.000 0.454 464 N N -1.275 117.421 118.700 -0.006 0.000 2.776 464 N HA -0.227 4.536 4.740 0.038 0.000 0.249 464 N C -0.469 174.999 175.510 -0.071 0.000 1.111 464 N CA 0.780 53.803 53.050 -0.045 0.000 0.711 464 N CB -1.820 36.613 38.487 -0.090 0.000 1.065 464 N HN 0.316 nan 8.380 nan 0.000 0.556 465 Y N 1.022 121.308 120.300 -0.024 0.000 2.314 465 Y HA 0.160 4.732 4.550 0.037 0.000 0.334 465 Y C 1.993 177.914 175.900 0.035 0.000 1.266 465 Y CA 0.196 58.305 58.100 0.016 0.000 1.391 465 Y CB 0.514 38.971 38.460 -0.004 0.000 1.306 465 Y HN 0.092 nan 8.280 nan 0.000 0.558 466 T N -2.904 111.790 114.554 0.233 0.000 2.813 466 T HA 0.022 4.395 4.350 0.038 0.000 0.297 466 T C 1.349 176.129 174.700 0.133 0.000 1.036 466 T CA -0.060 62.128 62.100 0.146 0.000 1.044 466 T CB 1.002 69.947 68.868 0.128 0.000 0.993 466 T HN 0.854 nan 8.240 nan 0.000 0.535 467 T N -1.157 113.446 114.554 0.081 0.000 2.867 467 T HA -0.087 4.286 4.350 0.038 0.000 0.268 467 T C 1.507 176.242 174.700 0.057 0.000 1.057 467 T CA 1.221 63.356 62.100 0.059 0.000 1.136 467 T CB -0.596 68.294 68.868 0.037 0.000 0.874 467 T HN 0.706 nan 8.240 nan 0.000 0.466 468 E N 1.544 121.774 120.200 0.051 0.000 2.058 468 E HA -0.106 4.266 4.350 0.038 0.000 0.194 468 E C 2.326 178.964 176.600 0.063 0.000 0.997 468 E CA 1.675 58.090 56.400 0.025 0.000 0.801 468 E CB -0.301 29.388 29.700 -0.018 0.000 0.746 468 E HN 0.714 nan 8.360 nan 0.000 0.450 469 E N 0.043 120.326 120.200 0.139 0.000 2.153 469 E HA -0.159 4.214 4.350 0.038 0.000 0.194 469 E C 2.126 178.872 176.600 0.243 0.000 0.988 469 E CA 0.447 57.030 56.400 0.306 0.000 0.811 469 E CB 0.012 30.041 29.700 0.547 0.000 0.746 469 E HN 0.055 nan 8.360 nan 0.000 0.466 470 R N 0.917 121.482 120.500 0.108 0.000 2.066 470 R HA -0.085 4.277 4.340 0.038 0.000 0.232 470 R C 2.236 178.543 176.300 0.011 0.000 1.131 470 R CA 0.943 57.046 56.100 0.004 0.000 0.955 470 R CB -0.275 30.025 30.300 -0.001 0.000 0.851 470 R HN 0.196 nan 8.270 nan 0.000 0.432 471 I N 0.426 121.023 120.570 0.044 0.000 2.226 471 I HA -0.298 3.895 4.170 0.038 0.000 0.245 471 I C 2.299 178.458 176.117 0.069 0.000 1.100 471 I CA 1.142 62.464 61.300 0.037 0.000 1.374 471 I CB -0.383 37.640 38.000 0.038 0.000 1.057 471 I HN 0.120 nan 8.210 nan 0.000 0.413 472 F N 1.960 121.871 119.950 -0.065 0.000 2.102 472 F HA -0.185 4.365 4.527 0.039 0.000 0.298 472 F C 2.456 178.236 175.800 -0.034 0.000 1.105 472 F CA 1.257 59.207 58.000 -0.084 0.000 1.239 472 F CB -0.630 38.262 39.000 -0.181 0.000 0.991 472 F HN 0.002 nan 8.300 nan 0.000 0.474 473 A N 0.109 122.865 122.820 -0.106 0.000 1.940 473 A HA -0.253 4.089 4.320 0.038 0.000 0.219 473 A C 2.166 179.610 177.584 -0.232 0.000 1.176 473 A CA 1.922 53.834 52.037 -0.209 0.000 0.631 473 A CB -0.906 17.998 19.000 -0.159 0.000 0.814 473 A HN 0.630 nan 8.150 nan 0.000 0.446 474 Q N -0.889 118.818 119.800 -0.155 0.000 2.119 474 Q HA -0.144 4.219 4.340 0.038 0.000 0.201 474 Q C 2.361 178.251 176.000 -0.184 0.000 0.972 474 Q CA 1.316 57.035 55.803 -0.139 0.000 0.847 474 Q CB -0.156 28.531 28.738 -0.084 0.000 0.903 474 Q HN 0.631 nan 8.270 nan 0.000 0.433 475 R N 0.305 120.679 120.500 -0.210 0.000 2.073 475 R HA -0.114 4.248 4.340 0.038 0.000 0.234 475 R C 2.323 178.323 176.300 -0.499 0.000 1.134 475 R CA 1.162 57.053 56.100 -0.349 0.000 0.952 475 R CB -0.316 29.857 30.300 -0.213 0.000 0.850 475 R HN 0.252 nan 8.270 nan 0.000 0.433 476 L N 0.106 121.121 121.223 -0.347 0.000 2.056 476 L HA -0.167 4.196 4.340 0.038 0.000 0.207 476 L C 2.558 179.362 176.870 -0.110 0.000 1.078 476 L CA 1.297 56.028 54.840 -0.182 0.000 0.749 476 L CB -0.376 41.418 42.059 -0.443 0.000 0.901 476 L HN 0.253 nan 8.230 nan 0.000 0.433 477 M N -0.665 118.814 119.600 -0.201 0.000 2.149 477 M HA -0.217 4.286 4.480 0.038 0.000 0.261 477 M C 2.294 178.585 176.300 -0.015 0.000 1.064 477 M CA 1.613 56.834 55.300 -0.130 0.000 1.102 477 M CB -0.305 32.207 32.600 -0.145 0.000 1.369 477 M HN 0.095 nan 8.290 nan 0.000 0.408 478 K N -0.351 120.008 120.400 -0.069 0.000 2.062 478 K HA -0.112 4.231 4.320 0.038 0.000 0.205 478 K C 1.872 178.529 176.600 0.094 0.000 1.051 478 K CA 1.496 57.758 56.287 -0.042 0.000 0.941 478 K CB -0.309 32.101 32.500 -0.149 0.000 0.719 478 K HN 0.325 nan 8.250 nan 0.000 0.440 479 Y N -0.292 120.139 120.300 0.220 0.000 2.181 479 Y HA -0.211 4.362 4.550 0.037 0.000 0.288 479 Y C 2.372 178.406 175.900 0.222 0.000 1.146 479 Y CA 0.700 58.958 58.100 0.263 0.000 1.164 479 Y CB -0.696 38.065 38.460 0.502 0.000 0.982 479 Y HN 0.210 nan 8.280 nan 0.000 0.515 480 W N 0.438 121.812 121.300 0.124 0.000 2.381 480 W HA -0.195 4.487 4.660 0.037 0.000 0.301 480 W C 2.415 178.939 176.519 0.009 0.000 1.205 480 W CA 2.105 59.465 57.345 0.026 0.000 1.285 480 W CB -0.511 28.888 29.460 -0.101 0.000 1.133 480 W HN 0.218 nan 8.180 nan 0.000 0.521 481 T N -2.489 112.174 114.554 0.181 0.000 2.942 481 T HA -0.096 4.276 4.350 0.038 0.000 0.265 481 T C 1.412 176.136 174.700 0.040 0.000 1.062 481 T CA 0.957 63.094 62.100 0.061 0.000 1.139 481 T CB -0.521 68.360 68.868 0.022 0.000 0.883 481 T HN -0.107 nan 8.240 nan 0.000 0.468 482 N N 1.046 119.787 118.700 0.069 0.000 2.120 482 N HA -0.012 4.751 4.740 0.038 0.000 0.188 482 N C 1.366 176.870 175.510 -0.010 0.000 1.024 482 N CA 1.074 54.144 53.050 0.032 0.000 0.852 482 N CB -0.696 37.829 38.487 0.064 0.000 1.003 482 N HN 0.472 nan 8.380 nan 0.000 0.424 483 F N 1.691 121.552 119.950 -0.149 0.000 2.102 483 F HA -0.104 4.446 4.527 0.039 0.000 0.298 483 F C 2.184 177.897 175.800 -0.144 0.000 1.105 483 F CA 1.444 59.305 58.000 -0.232 0.000 1.239 483 F CB -0.502 38.269 39.000 -0.381 0.000 0.991 483 F HN 0.038 nan 8.300 nan 0.000 0.474 484 A N 0.534 123.266 122.820 -0.146 0.000 1.902 484 A HA -0.186 4.157 4.320 0.038 0.000 0.217 484 A C 2.383 179.852 177.584 -0.192 0.000 1.181 484 A CA 1.716 53.641 52.037 -0.187 0.000 0.623 484 A CB -0.753 18.209 19.000 -0.062 0.000 0.818 484 A HN 0.455 nan 8.150 nan 0.000 0.443 485 R N -1.177 119.243 120.500 -0.133 0.000 2.081 485 R HA -0.096 4.267 4.340 0.038 0.000 0.235 485 R C 1.993 178.208 176.300 -0.141 0.000 1.131 485 R CA 1.942 57.978 56.100 -0.107 0.000 0.960 485 R CB -0.195 30.068 30.300 -0.061 0.000 0.856 485 R HN 0.747 nan 8.270 nan 0.000 0.436 486 T N -5.902 108.543 114.554 -0.183 0.000 2.986 486 T HA 0.229 4.601 4.350 0.038 0.000 0.264 486 T C 1.149 175.718 174.700 -0.218 0.000 0.964 486 T CA 0.404 62.409 62.100 -0.158 0.000 0.895 486 T CB 1.331 70.142 68.868 -0.096 0.000 1.163 486 T HN 0.326 nan 8.240 nan 0.000 0.517 487 G N 1.446 109.983 108.800 -0.438 0.000 2.148 487 G HA2 -0.184 3.799 3.960 0.038 0.000 0.254 487 G HA3 -0.184 3.799 3.960 0.038 0.000 0.254 487 G C -0.341 174.477 174.900 -0.136 0.000 0.981 487 G CA 0.280 45.057 45.100 -0.539 0.000 0.670 487 G HN 0.807 nan 8.290 nan 0.000 0.528 488 D N -0.661 119.655 120.400 -0.140 0.000 2.788 488 D HA 0.466 5.129 4.640 0.038 0.000 0.247 488 D C -1.621 174.517 176.300 -0.271 0.000 1.236 488 D CA -1.755 52.109 54.000 -0.228 0.000 0.898 488 D CB 2.101 42.866 40.800 -0.058 0.000 1.401 488 D HN 0.001 nan 8.370 nan 0.000 0.549 489 P HA 0.016 nan 4.420 nan 0.000 0.241 489 P C -0.005 177.299 177.300 0.007 0.000 1.191 489 P CA 0.007 62.931 63.100 -0.293 0.000 0.771 489 P CB 0.340 31.581 31.700 -0.766 0.000 0.929 490 N N 1.511 120.185 118.700 -0.043 0.000 2.530 490 N HA 0.020 4.783 4.740 0.038 0.000 0.273 490 N C 0.003 175.580 175.510 0.111 0.000 1.173 490 N CA 0.239 53.365 53.050 0.128 0.000 0.967 490 N CB 0.583 39.137 38.487 0.112 0.000 1.109 490 N HN 0.009 nan 8.380 nan 0.000 0.453 491 D N 2.099 122.584 120.400 0.141 0.000 2.339 491 D HA 0.097 4.760 4.640 0.038 0.000 0.256 491 D C -1.484 174.856 176.300 0.066 0.000 1.214 491 D CA -1.501 52.552 54.000 0.087 0.000 0.877 491 D CB 1.191 42.038 40.800 0.079 0.000 1.111 491 D HN 0.298 nan 8.370 nan 0.000 0.478 492 P HA -0.005 nan 4.420 nan 0.000 0.231 492 P C 0.985 178.306 177.300 0.034 0.000 1.168 492 P CA 0.685 63.807 63.100 0.037 0.000 0.779 492 P CB 0.305 32.018 31.700 0.022 0.000 0.844 493 R N 0.117 120.636 120.500 0.031 0.000 2.290 493 R HA 0.118 4.481 4.340 0.038 0.000 0.197 493 R C 0.618 176.937 176.300 0.032 0.000 0.913 493 R CA 0.540 56.657 56.100 0.027 0.000 1.040 493 R CB -1.354 28.958 30.300 0.020 0.000 0.992 493 R HN 0.259 nan 8.270 nan 0.000 0.500 494 D N -0.987 119.437 120.400 0.040 0.000 2.210 494 D HA 0.264 4.926 4.640 0.038 0.000 0.249 494 D C 0.865 177.197 176.300 0.053 0.000 1.062 494 D CA 0.353 54.380 54.000 0.045 0.000 0.891 494 D CB 1.840 42.671 40.800 0.051 0.000 1.186 494 D HN 0.109 nan 8.370 nan 0.000 0.432 495 S N 2.964 118.693 115.700 0.048 0.000 2.343 495 S HA 0.138 4.631 4.470 0.038 0.000 0.155 495 S C 0.565 175.203 174.600 0.063 0.000 1.261 495 S CA 0.036 58.267 58.200 0.052 0.000 2.081 495 S CB -0.065 63.160 63.200 0.042 0.000 0.460 495 S HN 0.409 nan 8.310 nan 0.000 0.370 496 K N 0.441 120.875 120.400 0.057 0.000 2.187 496 K HA 0.260 4.602 4.320 0.038 0.000 0.247 496 K C 0.550 177.194 176.600 0.074 0.000 1.019 496 K CA 0.675 56.999 56.287 0.063 0.000 0.893 496 K CB 1.017 33.546 32.500 0.049 0.000 1.025 496 K HN 0.729 nan 8.250 nan 0.000 0.500 497 S N -1.267 114.481 115.700 0.080 0.000 6.311 497 S HA 0.108 4.600 4.470 0.038 0.000 0.100 497 S C -2.497 172.159 174.600 0.093 0.000 1.196 497 S CA -0.514 57.750 58.200 0.107 0.000 1.375 497 S CB -0.750 62.535 63.200 0.141 0.000 1.972 497 S HN 0.497 nan 8.310 nan 0.000 0.578 498 P HA 0.368 nan 4.420 nan 0.000 0.273 498 P C -0.894 176.482 177.300 0.126 0.000 1.250 498 P CA -0.090 63.062 63.100 0.086 0.000 0.793 498 P CB 0.256 31.990 31.700 0.058 0.000 1.011 499 Q N -0.407 119.477 119.800 0.139 0.000 2.373 499 Q HA 0.057 4.420 4.340 0.038 0.000 0.255 499 Q C -0.358 175.798 176.000 0.261 0.000 0.980 499 Q CA 0.246 56.168 55.803 0.198 0.000 0.882 499 Q CB 0.380 29.222 28.738 0.174 0.000 1.249 499 Q HN 0.542 nan 8.270 nan 0.000 0.438 500 W N 6.466 127.819 121.300 0.088 0.000 2.481 500 W HA 0.235 4.919 4.660 0.040 0.000 0.320 500 W C -2.362 174.292 176.519 0.224 0.000 1.209 500 W CA -2.451 54.957 57.345 0.105 0.000 1.400 500 W CB 0.159 29.625 29.460 0.010 0.000 1.361 500 W HN 0.392 nan 8.180 nan 0.000 0.456 501 P HA 0.228 nan 4.420 nan 0.000 0.277 501 P C -2.589 174.903 177.300 0.320 0.000 1.240 501 P CA -1.627 61.689 63.100 0.360 0.000 0.798 501 P CB 0.709 32.537 31.700 0.213 0.000 0.979 502 P HA 0.041 nan 4.420 nan 0.000 0.269 502 P C -0.576 176.711 177.300 -0.021 0.000 1.209 502 P CA 0.192 63.092 63.100 -0.333 0.000 0.776 502 P CB 0.016 31.494 31.700 -0.370 0.000 0.876 503 Y N 3.019 123.264 120.300 -0.091 0.000 2.402 503 Y HA 0.340 4.912 4.550 0.037 0.000 0.333 503 Y C 0.439 176.329 175.900 -0.016 0.000 1.076 503 Y CA 0.587 58.701 58.100 0.024 0.000 1.299 503 Y CB 0.266 38.763 38.460 0.061 0.000 1.197 503 Y HN 0.411 nan 8.280 nan 0.000 0.517 504 T N 0.224 114.531 114.554 -0.412 0.000 2.901 504 T HA 0.265 4.638 4.350 0.038 0.000 0.293 504 T C 0.900 175.374 174.700 -0.377 0.000 1.084 504 T CA -0.190 61.763 62.100 -0.245 0.000 1.008 504 T CB 1.288 70.076 68.868 -0.134 0.000 1.170 504 T HN 0.643 nan 8.240 nan 0.000 0.509 505 T N -0.633 113.843 114.554 -0.129 0.000 2.821 505 T HA 0.036 4.409 4.350 0.038 0.000 0.267 505 T C 2.235 176.885 174.700 -0.084 0.000 1.046 505 T CA 0.973 63.032 62.100 -0.068 0.000 1.139 505 T CB -0.875 68.006 68.868 0.022 0.000 0.871 505 T HN 0.878 nan 8.240 nan 0.000 0.454 506 A N 2.285 125.060 122.820 -0.075 0.000 1.828 506 A HA 0.363 4.706 4.320 0.038 0.000 0.215 506 A C 2.801 180.341 177.584 -0.074 0.000 1.203 506 A CA 2.002 54.007 52.037 -0.053 0.000 0.614 506 A CB -1.472 17.507 19.000 -0.036 0.000 0.844 506 A HN 0.765 nan 8.150 nan 0.000 0.445 507 A N -2.291 120.467 122.820 -0.103 0.000 2.021 507 A HA 0.154 4.496 4.320 0.038 0.000 0.216 507 A C 1.068 178.577 177.584 -0.125 0.000 1.163 507 A CA 1.052 53.038 52.037 -0.084 0.000 0.676 507 A CB -0.412 18.552 19.000 -0.060 0.000 0.818 507 A HN 0.631 nan 8.150 nan 0.000 0.453 508 Q N -0.585 119.025 119.800 -0.317 0.000 2.457 508 Q HA -0.233 4.129 4.340 0.038 0.000 0.283 508 Q C -0.699 175.236 176.000 -0.107 0.000 1.234 508 Q CA 0.689 56.187 55.803 -0.509 0.000 0.877 508 Q CB -1.752 26.892 28.738 -0.158 0.000 1.250 508 Q HN 0.848 nan 8.270 nan 0.000 0.481 509 Q N 0.330 120.095 119.800 -0.058 0.000 2.314 509 Q HA 0.444 4.807 4.340 0.038 0.000 0.258 509 Q C -0.364 175.905 176.000 0.449 0.000 0.954 509 Q CA 0.109 56.011 55.803 0.164 0.000 0.890 509 Q CB 0.520 29.312 28.738 0.090 0.000 1.210 509 Q HN 0.338 nan 8.270 nan 0.000 0.410 510 Y N -1.534 118.895 120.300 0.215 0.000 2.655 510 Y HA 0.730 5.302 4.550 0.036 0.000 0.336 510 Y C -1.158 174.759 175.900 0.029 0.000 1.154 510 Y CA -1.575 56.660 58.100 0.225 0.000 1.055 510 Y CB 0.518 39.124 38.460 0.243 0.000 1.295 510 Y HN 0.367 nan 8.280 nan 0.000 0.465 511 V N -0.443 119.387 119.914 -0.139 0.000 2.960 511 V HA 0.866 5.009 4.120 0.038 0.000 0.315 511 V C -0.348 175.636 176.094 -0.183 0.000 1.087 511 V CA -0.576 61.487 62.300 -0.396 0.000 0.982 511 V CB 1.402 32.722 31.823 -0.839 0.000 1.039 511 V HN 1.221 nan 8.190 nan 0.000 0.437 512 S N 3.622 119.218 115.700 -0.173 0.000 2.475 512 S HA 0.693 5.186 4.470 0.038 0.000 0.281 512 S C -0.456 174.109 174.600 -0.058 0.000 1.198 512 S CA -0.668 57.507 58.200 -0.041 0.000 1.063 512 S CB 0.625 63.795 63.200 -0.049 0.000 0.972 512 S HN 0.770 nan 8.310 nan 0.000 0.486 513 L N 4.360 125.605 121.223 0.037 0.000 2.264 513 L HA 0.492 4.854 4.340 0.038 0.000 0.287 513 L C -0.157 176.664 176.870 -0.083 0.000 1.039 513 L CA -0.398 54.508 54.840 0.109 0.000 0.829 513 L CB -0.199 42.032 42.059 0.287 0.000 1.211 513 L HN 0.916 nan 8.230 nan 0.000 0.427 514 N N 2.241 120.819 118.700 -0.203 0.000 3.344 514 N HA 0.319 5.082 4.740 0.038 0.000 0.296 514 N C 0.178 175.179 175.510 -0.848 0.000 1.571 514 N CA -0.953 51.722 53.050 -0.624 0.000 0.844 514 N CB 0.633 38.904 38.487 -0.359 0.000 1.718 514 N HN 0.183 nan 8.380 nan 0.000 0.589 515 L N -0.757 119.973 121.223 -0.822 0.000 2.275 515 L HA 0.081 4.443 4.340 0.038 0.000 0.215 515 L C 0.594 177.287 176.870 -0.295 0.000 1.119 515 L CA 0.894 55.345 54.840 -0.648 0.000 0.790 515 L CB -0.455 41.308 42.059 -0.494 0.000 0.919 515 L HN 0.379 nan 8.230 nan 0.000 0.443 516 K N 0.441 120.710 120.400 -0.219 0.000 2.168 516 K HA 0.249 4.592 4.320 0.038 0.000 0.258 516 K C -2.143 174.421 176.600 -0.060 0.000 1.010 516 K CA -1.922 54.298 56.287 -0.112 0.000 0.929 516 K CB -0.116 32.328 32.500 -0.092 0.000 0.998 516 K HN -0.207 nan 8.250 nan 0.000 0.479 517 P HA -0.071 nan 4.420 nan 0.000 0.267 517 P C -0.209 177.096 177.300 0.009 0.000 1.201 517 P CA 0.072 63.185 63.100 0.022 0.000 0.775 517 P CB 0.348 32.060 31.700 0.020 0.000 0.854 518 L N 1.693 122.939 121.223 0.038 0.000 2.640 518 L HA -0.099 4.263 4.340 0.038 0.000 0.280 518 L C 1.128 177.962 176.870 -0.060 0.000 1.229 518 L CA 0.963 55.782 54.840 -0.034 0.000 0.919 518 L CB -0.296 41.740 42.059 -0.039 0.000 1.168 518 L HN 0.507 nan 8.230 nan 0.000 0.496 519 E N 3.188 123.326 120.200 -0.103 0.000 2.171 519 E HA 0.395 4.768 4.350 0.038 0.000 0.271 519 E C -1.264 175.236 176.600 -0.167 0.000 0.916 519 E CA -0.799 55.538 56.400 -0.105 0.000 0.774 519 E CB 1.895 31.540 29.700 -0.093 0.000 1.128 519 E HN 0.311 nan 8.360 nan 0.000 0.403 520 V N 5.127 124.956 119.914 -0.142 0.000 2.432 520 V HA 0.404 4.546 4.120 0.038 0.000 0.275 520 V C 0.277 176.234 176.094 -0.229 0.000 1.043 520 V CA -0.275 61.919 62.300 -0.178 0.000 0.925 520 V CB 0.972 32.749 31.823 -0.077 0.000 0.985 520 V HN 0.695 nan 8.190 nan 0.000 0.466 521 R N 3.847 124.087 120.500 -0.434 0.000 2.919 521 R HA 0.781 5.143 4.340 0.038 0.000 0.260 521 R C -0.854 175.255 176.300 -0.318 0.000 1.067 521 R CA -1.059 54.777 56.100 -0.441 0.000 1.003 521 R CB 2.306 32.207 30.300 -0.665 0.000 1.192 521 R HN 0.583 nan 8.270 nan 0.000 0.488 522 R N -0.105 120.383 120.500 -0.020 0.000 2.513 522 R HA 0.503 4.866 4.340 0.038 0.000 0.301 522 R C -0.924 175.570 176.300 0.324 0.000 0.968 522 R CA -0.532 55.668 56.100 0.167 0.000 0.872 522 R CB 2.241 32.585 30.300 0.074 0.000 1.177 522 R HN 0.895 nan 8.270 nan 0.000 0.444 523 G N 2.413 111.454 108.800 0.401 0.000 3.391 523 G HA2 -0.191 3.791 3.960 0.038 0.000 0.683 523 G HA3 -0.191 3.791 3.960 0.038 0.000 0.683 523 G C -1.130 173.923 174.900 0.254 0.000 1.071 523 G CA -0.950 44.316 45.100 0.277 0.000 0.904 523 G HN 0.403 nan 8.290 nan 0.000 0.452 524 L N 4.169 125.436 121.223 0.073 0.000 2.387 524 L HA 0.535 4.897 4.340 0.038 0.000 0.267 524 L C 1.517 178.388 176.870 0.002 0.000 1.197 524 L CA -0.374 54.355 54.840 -0.185 0.000 1.070 524 L CB -0.496 41.382 42.059 -0.301 0.000 1.349 524 L HN 0.675 nan 8.230 nan 0.000 0.422 525 R N 2.411 122.957 120.500 0.077 0.000 3.336 525 R HA -0.260 4.103 4.340 0.038 0.000 0.260 525 R C 1.254 177.647 176.300 0.155 0.000 1.032 525 R CA 0.710 56.892 56.100 0.137 0.000 0.693 525 R CB -2.218 28.176 30.300 0.157 0.000 1.134 525 R HN 0.720 nan 8.270 nan 0.000 0.433 526 A N 0.637 123.544 122.820 0.144 0.000 1.883 526 A HA -0.236 4.106 4.320 0.038 0.000 0.217 526 A C 2.083 179.757 177.584 0.150 0.000 1.186 526 A CA 1.259 53.381 52.037 0.141 0.000 0.624 526 A CB -0.089 18.987 19.000 0.127 0.000 0.822 526 A HN 0.410 nan 8.150 nan 0.000 0.444 527 Q N -0.734 119.154 119.800 0.146 0.000 2.046 527 Q HA -0.097 4.266 4.340 0.038 0.000 0.200 527 Q C 2.234 178.355 176.000 0.202 0.000 0.975 527 Q CA 2.020 57.913 55.803 0.150 0.000 0.836 527 Q CB -1.139 27.671 28.738 0.121 0.000 0.896 527 Q HN 0.643 nan 8.270 nan 0.000 0.428 528 T N 0.614 115.312 114.554 0.239 0.000 2.821 528 T HA -0.105 4.268 4.350 0.038 0.000 0.267 528 T C 2.024 176.956 174.700 0.387 0.000 1.046 528 T CA 1.105 63.381 62.100 0.294 0.000 1.139 528 T CB -0.228 68.858 68.868 0.364 0.000 0.871 528 T HN 0.312 nan 8.240 nan 0.000 0.454 529 c N 1.560 120.367 118.600 0.344 0.000 2.446 529 c HA 0.255 4.848 4.570 0.038 0.000 0.279 529 c C 3.119 177.374 174.090 0.275 0.000 1.366 529 c CA 0.003 56.542 56.329 0.350 0.000 1.763 529 c CB -1.360 41.284 42.510 0.224 0.000 1.929 529 c HN 0.635 nan 8.230 nan 0.000 0.509 530 A N 0.188 123.139 122.820 0.218 0.000 1.972 530 A HA -0.172 4.171 4.320 0.038 0.000 0.219 530 A C 1.855 179.549 177.584 0.184 0.000 1.169 530 A CA 1.485 53.626 52.037 0.175 0.000 0.635 530 A CB -0.745 18.343 19.000 0.147 0.000 0.810 530 A HN 0.560 nan 8.150 nan 0.000 0.446 531 F N -0.829 119.124 119.950 0.005 0.000 2.102 531 F HA -0.167 4.385 4.527 0.041 0.000 0.298 531 F C 1.933 177.696 175.800 -0.061 0.000 1.105 531 F CA 1.724 59.648 58.000 -0.127 0.000 1.239 531 F CB -0.540 38.132 39.000 -0.546 0.000 0.991 531 F HN 0.371 nan 8.300 nan 0.000 0.474 532 W N 0.624 121.877 121.300 -0.079 0.000 2.409 532 W HA -0.124 4.557 4.660 0.036 0.000 0.299 532 W C 2.182 178.639 176.519 -0.104 0.000 1.203 532 W CA 1.051 58.307 57.345 -0.148 0.000 1.298 532 W CB -0.475 29.029 29.460 0.073 0.000 1.127 532 W HN -0.030 nan 8.180 nan 0.000 0.528 533 N N -0.571 118.248 118.700 0.199 0.000 2.409 533 N HA 0.041 4.804 4.740 0.038 0.000 0.174 533 N C 1.481 177.025 175.510 0.057 0.000 1.037 533 N CA 0.881 54.000 53.050 0.114 0.000 0.898 533 N CB -0.163 38.392 38.487 0.113 0.000 1.010 533 N HN 0.228 nan 8.380 nan 0.000 0.445 534 R N -1.277 119.259 120.500 0.060 0.000 2.194 534 R HA 0.229 4.591 4.340 0.038 0.000 0.194 534 R C 1.470 177.791 176.300 0.036 0.000 0.985 534 R CA -0.022 56.110 56.100 0.053 0.000 1.104 534 R CB -0.181 30.172 30.300 0.089 0.000 1.092 534 R HN 0.033 nan 8.270 nan 0.000 0.555 535 F N 1.737 121.616 119.950 -0.118 0.000 2.094 535 F HA 0.050 4.600 4.527 0.039 0.000 0.291 535 F C 1.833 177.499 175.800 -0.224 0.000 1.109 535 F CA 1.236 59.144 58.000 -0.154 0.000 1.221 535 F CB -0.244 38.669 39.000 -0.144 0.000 1.014 535 F HN -0.152 nan 8.300 nan 0.000 0.473 536 L N 0.363 121.281 121.223 -0.509 0.000 2.042 536 L HA -0.162 4.201 4.340 0.038 0.000 0.210 536 L C -0.458 176.180 176.870 -0.388 0.000 1.076 536 L CA 1.417 55.917 54.840 -0.567 0.000 0.749 536 L CB -2.010 39.757 42.059 -0.486 0.000 0.893 536 L HN 0.146 nan 8.230 nan 0.000 0.432 537 P HA -0.198 nan 4.420 nan 0.000 0.216 537 P C 1.357 178.534 177.300 -0.206 0.000 1.153 537 P CA 1.411 64.411 63.100 -0.166 0.000 0.858 537 P CB -0.008 31.636 31.700 -0.095 0.000 0.789 538 K N -1.190 119.052 120.400 -0.263 0.000 2.147 538 K HA -0.131 4.212 4.320 0.038 0.000 0.205 538 K C 1.910 178.309 176.600 -0.335 0.000 1.049 538 K CA 0.839 56.973 56.287 -0.255 0.000 0.936 538 K CB -0.736 31.635 32.500 -0.215 0.000 0.722 538 K HN 0.072 nan 8.250 nan 0.000 0.446 539 L N 1.239 122.139 121.223 -0.539 0.000 1.973 539 L HA -0.133 4.230 4.340 0.038 0.000 0.208 539 L C 1.774 178.498 176.870 -0.244 0.000 1.073 539 L CA 1.717 56.273 54.840 -0.472 0.000 0.746 539 L CB -0.511 41.182 42.059 -0.610 0.000 0.891 539 L HN 0.098 nan 8.230 nan 0.000 0.433 540 L N -0.280 120.817 121.223 -0.210 0.000 2.552 540 L HA 0.020 4.382 4.340 0.038 0.000 0.227 540 L C 1.416 178.227 176.870 -0.098 0.000 1.146 540 L CA 0.809 55.573 54.840 -0.126 0.000 0.858 540 L CB -0.671 41.327 42.059 -0.103 0.000 0.969 540 L HN 0.492 nan 8.230 nan 0.000 0.451 541 S N -0.749 114.886 115.700 -0.109 0.000 2.849 541 S HA 0.561 5.053 4.470 0.038 0.000 0.244 541 S C 0.591 175.148 174.600 -0.071 0.000 1.297 541 S CA 0.157 58.310 58.200 -0.079 0.000 1.241 541 S CB 0.410 63.565 63.200 -0.075 0.000 0.958 541 S HN 0.354 nan 8.310 nan 0.000 0.489 542 A N 0.300 123.079 122.820 -0.068 0.000 3.542 542 A HA 0.337 4.679 4.320 0.038 0.000 0.182 542 A C 0.673 178.228 177.584 -0.049 0.000 1.305 542 A CA 0.275 52.279 52.037 -0.054 0.000 1.229 542 A CB -0.935 18.029 19.000 -0.060 0.000 0.907 542 A HN 1.369 nan 8.150 nan 0.000 0.426 543 T N 0.000 114.516 114.554 -0.064 0.000 3.816 543 T HA 0.000 4.373 4.350 0.038 0.000 0.228 543 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 543 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658