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 3clb_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG LPDEXXXXXX ADSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.481 174.600 -0.198 0.000 1.055 2 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 2 S CB 0.000 63.235 63.200 0.059 0.000 0.593 3 L N -0.344 120.838 121.223 -0.069 0.000 3.086 3 L HA 0.591 4.927 4.340 -0.008 0.000 0.274 3 L C 0.157 176.822 176.870 -0.341 0.000 1.184 3 L CA 0.148 54.853 54.840 -0.224 0.000 1.002 3 L CB 0.141 42.055 42.059 -0.241 0.000 1.383 3 L HN 0.375 nan 8.230 nan 0.000 0.582 4 F N 1.008 120.887 119.950 -0.117 0.000 2.684 4 F HA 0.321 4.844 4.527 -0.007 0.000 0.298 4 F C 0.976 176.724 175.800 -0.085 0.000 1.120 4 F CA -0.386 57.573 58.000 -0.067 0.000 1.332 4 F CB 0.058 39.044 39.000 -0.023 0.000 0.986 4 F HN -0.117 nan 8.300 nan 0.000 0.524 5 K N 0.248 120.617 120.400 -0.052 0.000 2.109 5 K HA 0.599 4.915 4.320 -0.008 0.000 0.243 5 K C -0.423 176.209 176.600 0.053 0.000 1.006 5 K CA -0.822 55.424 56.287 -0.068 0.000 0.917 5 K CB 1.487 33.783 32.500 -0.341 0.000 1.081 5 K HN -0.063 nan 8.250 nan 0.000 0.468 6 I N 1.588 122.249 120.570 0.152 0.000 2.315 6 I HA 0.220 4.386 4.170 -0.008 0.000 0.291 6 I C 0.229 176.546 176.117 0.333 0.000 1.006 6 I CA -0.438 60.970 61.300 0.181 0.000 1.265 6 I CB 1.231 39.289 38.000 0.098 0.000 1.387 6 I HN 0.375 nan 8.210 nan 0.000 0.475 7 R N 7.143 127.808 120.500 0.275 0.000 2.298 7 R HA 0.357 4.693 4.340 -0.008 0.000 0.310 7 R C -0.394 175.916 176.300 0.016 0.000 1.068 7 R CA -0.690 55.486 56.100 0.127 0.000 0.957 7 R CB 0.614 30.950 30.300 0.061 0.000 1.003 7 R HN 0.481 nan 8.270 nan 0.000 0.454 8 M N 5.114 124.690 119.600 -0.039 0.000 2.243 8 M HA 0.217 4.692 4.480 -0.008 0.000 0.341 8 M C -1.877 174.389 176.300 -0.056 0.000 1.130 8 M CA -2.322 52.964 55.300 -0.023 0.000 1.162 8 M CB 0.098 32.707 32.600 0.015 0.000 1.497 8 M HN 0.475 nan 8.290 nan 0.000 0.456 9 P HA -0.013 nan 4.420 nan 0.000 0.267 9 P C 0.766 178.035 177.300 -0.053 0.000 1.200 9 P CA -0.074 62.997 63.100 -0.048 0.000 0.772 9 P CB 0.266 31.939 31.700 -0.045 0.000 0.855 10 E N 1.468 121.638 120.200 -0.050 0.000 2.136 10 E HA -0.209 4.136 4.350 -0.008 0.000 0.202 10 E C 0.626 177.201 176.600 -0.041 0.000 1.019 10 E CA 2.484 58.855 56.400 -0.048 0.000 0.819 10 E CB -1.429 28.247 29.700 -0.040 0.000 0.739 10 E HN 0.583 nan 8.360 nan 0.000 0.458 11 T N -2.143 112.390 114.554 -0.036 0.000 2.529 11 T HA 0.611 4.956 4.350 -0.008 0.000 0.224 11 T C 0.343 175.025 174.700 -0.030 0.000 0.791 11 T CA -0.217 61.866 62.100 -0.029 0.000 1.241 11 T CB 0.635 69.490 68.868 -0.023 0.000 1.554 11 T HN -0.021 nan 8.240 nan 0.000 0.491 12 V N 0.909 120.808 119.914 -0.026 0.000 2.769 12 V HA 0.786 4.902 4.120 -0.008 0.000 0.312 12 V C 0.740 176.817 176.094 -0.028 0.000 1.058 12 V CA -1.295 60.988 62.300 -0.028 0.000 0.952 12 V CB 0.997 32.810 31.823 -0.017 0.000 1.019 12 V HN 1.221 nan 8.190 nan 0.000 0.445 13 A N 1.627 124.426 122.820 -0.034 0.000 2.483 13 A HA 0.256 4.571 4.320 -0.008 0.000 0.238 13 A C 0.468 178.043 177.584 -0.014 0.000 1.070 13 A CA 0.047 52.068 52.037 -0.027 0.000 0.770 13 A CB 0.083 19.065 19.000 -0.030 0.000 1.008 13 A HN 0.898 nan 8.150 nan 0.000 0.497 14 E N 1.344 121.537 120.200 -0.011 0.000 2.217 14 E HA 0.359 4.705 4.350 -0.008 0.000 0.279 14 E C 0.880 177.481 176.600 0.001 0.000 1.068 14 E CA 0.866 57.263 56.400 -0.006 0.000 0.882 14 E CB 0.195 29.891 29.700 -0.007 0.000 1.039 14 E HN 1.499 nan 8.360 nan 0.000 0.418 15 G N 3.733 112.536 108.800 0.005 0.000 2.179 15 G HA2 -0.217 3.739 3.960 -0.008 0.000 0.220 15 G HA3 -0.217 3.739 3.960 -0.008 0.000 0.220 15 G C 0.253 175.162 174.900 0.015 0.000 0.990 15 G CA 0.130 45.237 45.100 0.011 0.000 0.646 15 G HN 0.577 nan 8.290 nan 0.000 0.517 16 T N 2.200 116.761 114.554 0.012 0.000 2.853 16 T HA 0.413 4.758 4.350 -0.008 0.000 0.298 16 T C 0.927 175.637 174.700 0.017 0.000 0.978 16 T CA 0.349 62.459 62.100 0.016 0.000 1.152 16 T CB 0.884 69.758 68.868 0.009 0.000 0.914 16 T HN 0.748 nan 8.240 nan 0.000 0.539 17 R N 3.956 124.469 120.500 0.022 0.000 2.539 17 R HA 0.354 4.689 4.340 -0.008 0.000 0.275 17 R C -0.290 176.014 176.300 0.008 0.000 1.077 17 R CA -0.727 55.381 56.100 0.013 0.000 1.097 17 R CB 0.489 30.796 30.300 0.011 0.000 1.018 17 R HN 0.579 nan 8.270 nan 0.000 0.483 18 L N 2.841 124.064 121.223 -0.000 0.000 2.416 18 L HA 0.200 4.536 4.340 -0.008 0.000 0.272 18 L C 0.177 177.033 176.870 -0.024 0.000 1.161 18 L CA -0.247 54.592 54.840 -0.003 0.000 0.845 18 L CB 0.932 42.988 42.059 -0.006 0.000 1.119 18 L HN 0.969 nan 8.230 nan 0.000 0.464 19 A N 6.398 129.206 122.820 -0.021 0.000 2.545 19 A HA 0.253 4.568 4.320 -0.008 0.000 0.253 19 A C -0.101 177.432 177.584 -0.085 0.000 1.074 19 A CA 0.040 52.041 52.037 -0.060 0.000 0.760 19 A CB -0.207 18.779 19.000 -0.024 0.000 1.005 19 A HN 0.702 nan 8.150 nan 0.000 0.506 20 L N 1.557 122.693 121.223 -0.145 0.000 2.569 20 L HA 0.747 5.083 4.340 -0.008 0.000 0.247 20 L C 0.636 177.430 176.870 -0.126 0.000 1.135 20 L CA -0.884 53.879 54.840 -0.128 0.000 0.812 20 L CB 0.707 42.695 42.059 -0.118 0.000 1.431 20 L HN 0.804 nan 8.230 nan 0.000 0.499 21 R N 0.062 120.521 120.500 -0.069 0.000 2.686 21 R HA 0.668 5.004 4.340 -0.008 0.000 0.286 21 R C -1.147 175.222 176.300 0.115 0.000 0.969 21 R CA -0.341 55.757 56.100 -0.005 0.000 0.898 21 R CB 1.808 32.096 30.300 -0.020 0.000 1.183 21 R HN 0.662 nan 8.270 nan 0.000 0.456 22 A N 3.412 126.330 122.820 0.163 0.000 2.371 22 A HA 0.588 4.904 4.320 -0.008 0.000 0.257 22 A C -0.941 176.816 177.584 0.289 0.000 1.089 22 A CA -0.110 52.080 52.037 0.255 0.000 0.794 22 A CB -0.080 19.034 19.000 0.190 0.000 1.029 22 A HN 0.632 nan 8.150 nan 0.000 0.488 23 F N -0.418 119.538 119.950 0.011 0.000 2.654 23 F HA 0.759 5.281 4.527 -0.008 0.000 0.308 23 F C -0.338 175.467 175.800 0.009 0.000 1.108 23 F CA -1.024 56.950 58.000 -0.042 0.000 0.957 23 F CB 0.773 39.762 39.000 -0.018 0.000 1.309 23 F HN 0.359 nan 8.300 nan 0.000 0.446 24 S N 1.806 117.441 115.700 -0.108 0.000 2.722 24 S HA 0.786 5.251 4.470 -0.008 0.000 0.292 24 S C -1.259 173.474 174.600 0.222 0.000 1.135 24 S CA -0.786 57.419 58.200 0.009 0.000 1.003 24 S CB 1.713 65.042 63.200 0.215 0.000 1.067 24 S HN 0.825 nan 8.310 nan 0.000 0.546 25 L N 1.895 123.293 121.223 0.292 0.000 2.381 25 L HA 0.671 5.007 4.340 -0.008 0.000 0.274 25 L C -1.690 175.391 176.870 0.352 0.000 0.988 25 L CA -0.535 54.506 54.840 0.334 0.000 0.824 25 L CB 1.352 43.552 42.059 0.234 0.000 1.263 25 L HN 0.411 nan 8.230 nan 0.000 0.410 26 V N 5.574 125.669 119.914 0.301 0.000 2.417 26 V HA 0.702 4.817 4.120 -0.008 0.000 0.291 26 V C -0.442 175.648 176.094 -0.007 0.000 1.024 26 V CA -0.546 61.853 62.300 0.164 0.000 0.861 26 V CB 1.739 33.610 31.823 0.081 0.000 0.985 26 V HN 0.548 nan 8.190 nan 0.000 0.436 27 V N 3.450 123.309 119.914 -0.091 0.000 3.188 27 V HA 0.974 5.089 4.120 -0.008 0.000 0.305 27 V C -1.093 174.918 176.094 -0.138 0.000 1.232 27 V CA -0.149 61.998 62.300 -0.254 0.000 1.043 27 V CB 2.585 33.939 31.823 -0.781 0.000 1.068 27 V HN 1.183 nan 8.190 nan 0.000 0.439 28 A N 3.633 126.401 122.820 -0.086 0.000 2.381 28 A HA 0.922 5.237 4.320 -0.008 0.000 0.299 28 A C -1.010 176.685 177.584 0.186 0.000 1.049 28 A CA -0.026 52.053 52.037 0.069 0.000 0.715 28 A CB 1.603 20.727 19.000 0.208 0.000 1.222 28 A HN 1.919 nan 8.150 nan 0.000 0.428 29 V N -0.294 119.616 119.914 -0.006 0.000 3.160 29 V HA 0.862 4.978 4.120 -0.008 0.000 0.310 29 V C -0.818 175.045 176.094 -0.386 0.000 1.181 29 V CA -0.891 61.379 62.300 -0.050 0.000 1.047 29 V CB 1.945 33.788 31.823 0.033 0.000 1.068 29 V HN 0.925 nan 8.190 nan 0.000 0.441 30 D N -0.028 120.157 120.400 -0.358 0.000 2.487 30 D HA 0.425 5.060 4.640 -0.008 0.000 0.262 30 D C -0.448 175.793 176.300 -0.099 0.000 1.130 30 D CA -0.686 53.134 54.000 -0.300 0.000 1.038 30 D CB 0.816 41.441 40.800 -0.292 0.000 1.142 30 D HN 0.702 nan 8.370 nan 0.000 0.575 31 E N -0.495 119.672 120.200 -0.054 0.000 2.290 31 E HA 0.405 4.750 4.350 -0.008 0.000 0.277 31 E C 0.507 177.134 176.600 0.045 0.000 1.035 31 E CA -0.314 56.094 56.400 0.013 0.000 0.873 31 E CB 1.179 30.894 29.700 0.025 0.000 1.029 31 E HN 0.457 nan 8.360 nan 0.000 0.419 32 R N 1.882 122.434 120.500 0.087 0.000 1.837 32 R HA -0.119 4.216 4.340 -0.008 0.000 0.350 32 R C 0.897 177.372 176.300 0.293 0.000 0.201 32 R CA 0.832 57.030 56.100 0.163 0.000 1.435 32 R CB -1.284 29.125 30.300 0.182 0.000 1.783 32 R HN 1.020 nan 8.270 nan 0.000 0.187 33 G N -0.413 108.527 108.800 0.233 0.000 2.195 33 G HA2 -0.210 3.746 3.960 -0.008 0.000 0.224 33 G HA3 -0.210 3.746 3.960 -0.008 0.000 0.224 33 G C 0.417 175.479 174.900 0.270 0.000 0.990 33 G CA 0.559 45.837 45.100 0.297 0.000 0.639 33 G HN 0.751 nan 8.290 nan 0.000 0.514 34 G N 0.148 109.010 108.800 0.103 0.000 2.432 34 G HA2 0.557 4.512 3.960 -0.008 0.000 0.239 34 G HA3 0.557 4.512 3.960 -0.008 0.000 0.239 34 G C 0.943 175.920 174.900 0.127 0.000 1.291 34 G CA 0.499 45.499 45.100 -0.166 0.000 0.863 34 G HN 1.300 nan 8.290 nan 0.000 0.560 35 I N -0.612 119.971 120.570 0.022 0.000 4.770 35 I HA 0.558 4.724 4.170 -0.008 0.000 0.327 35 I C 0.852 176.842 176.117 -0.211 0.000 1.271 35 I CA 0.249 61.585 61.300 0.060 0.000 1.320 35 I CB 0.483 38.510 38.000 0.045 0.000 1.319 35 I HN 0.715 nan 8.210 nan 0.000 0.462 36 G N 1.055 109.733 108.800 -0.202 0.000 2.645 36 G HA2 0.461 4.416 3.960 -0.008 0.000 0.292 36 G HA3 0.461 4.416 3.960 -0.008 0.000 0.292 36 G C -1.543 173.247 174.900 -0.183 0.000 1.415 36 G CA 0.226 45.186 45.100 -0.234 0.000 0.785 36 G HN 0.147 nan 8.290 nan 0.000 0.483 37 D N -2.093 118.218 120.400 -0.149 0.000 2.501 37 D HA 0.403 5.038 4.640 -0.008 0.000 0.224 37 D C 1.406 177.670 176.300 -0.061 0.000 1.202 37 D CA 0.773 54.715 54.000 -0.098 0.000 0.829 37 D CB 0.499 41.249 40.800 -0.083 0.000 1.023 37 D HN 1.609 nan 8.370 nan 0.000 0.499 38 G N 0.717 109.481 108.800 -0.060 0.000 2.397 38 G HA2 -0.310 3.646 3.960 -0.008 0.000 0.211 38 G HA3 -0.310 3.646 3.960 -0.008 0.000 0.211 38 G C 1.390 176.266 174.900 -0.039 0.000 1.077 38 G CA 0.052 45.133 45.100 -0.033 0.000 0.649 38 G HN 0.238 nan 8.290 nan 0.000 0.511 39 R N 0.426 120.892 120.500 -0.056 0.000 2.119 39 R HA 0.562 4.897 4.340 -0.008 0.000 0.202 39 R C 1.379 177.629 176.300 -0.082 0.000 1.114 39 R CA 1.313 57.379 56.100 -0.056 0.000 1.089 39 R CB -0.509 29.761 30.300 -0.049 0.000 1.000 39 R HN 0.509 nan 8.270 nan 0.000 0.487 40 S N -0.276 115.355 115.700 -0.114 0.000 3.144 40 S HA 0.566 5.032 4.470 -0.008 0.000 0.325 40 S C -1.100 173.359 174.600 -0.234 0.000 1.161 40 S CA -0.779 57.329 58.200 -0.155 0.000 0.920 40 S CB 0.644 63.760 63.200 -0.140 0.000 1.340 40 S HN 0.147 nan 8.310 nan 0.000 0.681 41 I N 1.210 121.600 120.570 -0.299 0.000 2.371 41 I HA 0.448 4.613 4.170 -0.008 0.000 0.290 41 I C -2.068 173.785 176.117 -0.440 0.000 1.028 41 I CA -1.658 59.344 61.300 -0.498 0.000 1.345 41 I CB 0.829 38.490 38.000 -0.565 0.000 1.407 41 I HN 0.367 nan 8.210 nan 0.000 0.501 42 P HA 0.028 nan 4.420 nan 0.000 0.222 42 P C -0.612 176.649 177.300 -0.064 0.000 1.153 42 P CA 0.754 63.727 63.100 -0.213 0.000 0.798 42 P CB -0.031 31.608 31.700 -0.101 0.000 0.796 43 W N -0.788 120.485 121.300 -0.044 0.000 2.647 43 W HA 0.616 5.271 4.660 -0.008 0.000 0.353 43 W C -0.562 175.937 176.519 -0.033 0.000 1.080 43 W CA -1.103 56.222 57.345 -0.034 0.000 1.208 43 W CB 0.095 29.536 29.460 -0.033 0.000 1.396 43 W HN -0.368 nan 8.180 nan 0.000 0.573 44 N N 1.879 120.737 118.700 0.263 0.000 2.626 44 N HA 0.365 5.101 4.740 -0.008 0.000 0.242 44 N C -1.959 173.666 175.510 0.191 0.000 1.005 44 N CA -0.275 52.866 53.050 0.151 0.000 0.905 44 N CB 1.288 39.819 38.487 0.074 0.000 1.128 44 N HN 0.428 nan 8.380 nan 0.000 0.512 45 V N 5.835 125.889 119.914 0.234 0.000 2.398 45 V HA 0.314 4.429 4.120 -0.008 0.000 0.282 45 V C -1.647 174.526 176.094 0.133 0.000 1.014 45 V CA -1.145 61.264 62.300 0.181 0.000 0.838 45 V CB 1.873 33.807 31.823 0.185 0.000 1.018 45 V HN 0.422 nan 8.190 nan 0.000 0.432 46 P HA -0.003 nan 4.420 nan 0.000 0.222 46 P C 1.372 178.723 177.300 0.085 0.000 1.153 46 P CA 0.494 63.642 63.100 0.079 0.000 0.798 46 P CB 0.685 32.424 31.700 0.065 0.000 0.796 47 E N 0.013 120.266 120.200 0.088 0.000 2.204 47 E HA -0.207 4.139 4.350 -0.008 0.000 0.195 47 E C 1.639 178.271 176.600 0.054 0.000 0.990 47 E CA 1.183 57.627 56.400 0.074 0.000 0.821 47 E CB -0.656 29.102 29.700 0.096 0.000 0.750 47 E HN 0.231 nan 8.360 nan 0.000 0.477 48 D N -1.231 119.209 120.400 0.067 0.000 2.183 48 D HA -0.141 4.494 4.640 -0.008 0.000 0.203 48 D C 1.636 178.048 176.300 0.186 0.000 0.969 48 D CA 0.913 55.000 54.000 0.146 0.000 0.842 48 D CB 0.109 40.995 40.800 0.143 0.000 0.957 48 D HN 0.066 nan 8.370 nan 0.000 0.484 49 M N 0.547 120.236 119.600 0.148 0.000 2.108 49 M HA -0.118 4.357 4.480 -0.008 0.000 0.261 49 M C 2.205 178.548 176.300 0.072 0.000 1.066 49 M CA 1.240 56.620 55.300 0.135 0.000 1.107 49 M CB -1.026 31.620 32.600 0.077 0.000 1.356 49 M HN 0.158 nan 8.290 nan 0.000 0.406 50 K N -0.381 120.059 120.400 0.067 0.000 2.097 50 K HA -0.201 4.114 4.320 -0.008 0.000 0.206 50 K C 2.018 178.617 176.600 -0.001 0.000 1.049 50 K CA 1.312 57.616 56.287 0.028 0.000 0.933 50 K CB -0.213 32.323 32.500 0.059 0.000 0.717 50 K HN 0.174 nan 8.250 nan 0.000 0.442 51 F N 0.835 120.697 119.950 -0.146 0.000 2.113 51 F HA -0.104 4.419 4.527 -0.008 0.000 0.297 51 F C 1.151 176.827 175.800 -0.207 0.000 1.103 51 F CA 0.710 58.532 58.000 -0.297 0.000 1.248 51 F CB -0.304 38.291 39.000 -0.674 0.000 0.999 51 F HN -0.009 nan 8.300 nan 0.000 0.475 52 F N 2.136 121.958 119.950 -0.215 0.000 2.665 52 F HA 0.214 4.737 4.527 -0.008 0.000 0.360 52 F C 1.165 176.797 175.800 -0.281 0.000 1.168 52 F CA 0.226 58.058 58.000 -0.279 0.000 1.366 52 F CB -0.869 38.071 39.000 -0.101 0.000 1.592 52 F HN 0.130 nan 8.300 nan 0.000 0.610 53 R N -0.740 119.477 120.500 -0.472 0.000 4.485 53 R HA 0.026 4.361 4.340 -0.008 0.000 0.062 53 R C 1.454 177.512 176.300 -0.403 0.000 0.733 53 R CA 0.381 56.213 56.100 -0.446 0.000 1.826 53 R CB -0.505 29.619 30.300 -0.294 0.000 1.459 53 R HN 0.056 nan 8.270 nan 0.000 0.422 54 D N 0.845 121.031 120.400 -0.356 0.000 2.271 54 D HA -0.139 4.496 4.640 -0.008 0.000 0.207 54 D C 1.516 177.564 176.300 -0.421 0.000 0.983 54 D CA 1.496 55.307 54.000 -0.314 0.000 0.878 54 D CB 0.212 40.872 40.800 -0.233 0.000 0.920 54 D HN 0.131 nan 8.370 nan 0.000 0.479 55 V N 0.608 120.127 119.914 -0.660 0.000 2.825 55 V HA -0.086 4.029 4.120 -0.008 0.000 0.246 55 V C 2.224 177.841 176.094 -0.796 0.000 1.068 55 V CA 1.931 63.762 62.300 -0.782 0.000 1.088 55 V CB 0.026 31.101 31.823 -1.247 0.000 0.733 55 V HN 0.295 nan 8.190 nan 0.000 0.468 56 T N -4.522 109.561 114.554 -0.784 0.000 3.081 56 T HA 0.014 4.359 4.350 -0.008 0.000 0.250 56 T C 1.397 175.889 174.700 -0.346 0.000 1.100 56 T CA 1.155 62.797 62.100 -0.763 0.000 1.038 56 T CB 0.198 68.675 68.868 -0.651 0.000 0.962 56 T HN 0.424 nan 8.240 nan 0.000 0.516 57 T N 0.473 114.852 114.554 -0.291 0.000 3.071 57 T HA 0.279 4.624 4.350 -0.008 0.000 0.239 57 T C 0.856 175.491 174.700 -0.108 0.000 0.997 57 T CA -0.053 61.945 62.100 -0.170 0.000 1.134 57 T CB 0.268 69.033 68.868 -0.172 0.000 0.928 57 T HN 0.341 nan 8.240 nan 0.000 0.453 58 K N 0.796 121.119 120.400 -0.128 0.000 2.143 58 K HA 0.373 4.688 4.320 -0.008 0.000 0.239 58 K C -1.011 175.567 176.600 -0.036 0.000 1.048 58 K CA 0.104 56.344 56.287 -0.079 0.000 0.867 58 K CB 0.168 32.614 32.500 -0.091 0.000 1.088 58 K HN 0.120 nan 8.250 nan 0.000 0.510 59 L N 2.579 123.790 121.223 -0.020 0.000 2.505 59 L HA 0.317 4.653 4.340 -0.008 0.000 0.266 59 L C 1.010 177.878 176.870 -0.003 0.000 0.954 59 L CA -1.061 53.779 54.840 0.000 0.000 0.852 59 L CB 1.825 43.885 42.059 0.001 0.000 1.282 59 L HN 0.755 nan 8.230 nan 0.000 0.403 60 R N 1.931 122.431 120.500 -0.000 0.000 2.491 60 R HA -0.268 4.068 4.340 -0.008 0.000 0.201 60 R C 1.555 177.847 176.300 -0.013 0.000 1.000 60 R CA 2.240 58.331 56.100 -0.014 0.000 0.746 60 R CB -1.077 29.209 30.300 -0.023 0.000 0.823 60 R HN 0.970 nan 8.270 nan 0.000 0.407 61 G N 1.872 110.666 108.800 -0.010 0.000 4.063 61 G HA2 -0.349 3.606 3.960 -0.008 0.000 0.272 61 G HA3 -0.349 3.606 3.960 -0.008 0.000 0.272 61 G C 0.385 175.282 174.900 -0.005 0.000 0.852 61 G CA 2.049 47.145 45.100 -0.007 0.000 0.711 61 G HN 0.605 nan 8.290 nan 0.000 1.475 62 K N -1.804 118.595 120.400 -0.001 0.000 0.000 62 K HA 0.590 4.905 4.320 -0.008 0.000 0.000 62 K C -1.031 175.570 176.600 0.001 0.000 0.000 62 K CA -0.821 55.465 56.287 -0.001 0.000 0.000 62 K CB 1.579 34.077 32.500 -0.004 0.000 0.000 62 K HN 0.462 nan 8.250 nan 0.000 0.000 63 N N 0.776 119.476 118.700 -0.000 0.000 2.976 63 N HA 0.182 4.918 4.740 -0.008 0.000 0.220 63 N C -1.166 174.341 175.510 -0.005 0.000 1.428 63 N CA -0.164 52.884 53.050 -0.003 0.000 0.748 63 N CB 0.902 39.388 38.487 -0.002 0.000 1.484 63 N HN 0.676 nan 8.380 nan 0.000 0.578 64 V N 0.708 120.618 119.914 -0.006 0.000 3.694 64 V HA -0.265 3.851 4.120 -0.008 0.000 0.527 64 V C 0.387 176.477 176.094 -0.006 0.000 0.682 64 V CA 0.348 62.642 62.300 -0.009 0.000 2.088 64 V CB -1.190 30.624 31.823 -0.015 0.000 2.491 64 V HN 0.794 nan 8.190 nan 0.000 0.515 65 K N -2.070 118.326 120.400 -0.008 0.000 3.130 65 K HA 0.157 4.472 4.320 -0.008 0.000 0.303 65 K C -2.760 173.834 176.600 -0.009 0.000 3.056 65 K CA -0.194 56.090 56.287 -0.005 0.000 1.609 65 K CB -1.263 31.237 32.500 -0.001 0.000 3.262 65 K HN 0.599 nan 8.250 nan 0.000 0.266 66 P HA -0.098 nan 4.420 nan 0.000 0.170 66 P C -0.753 176.546 177.300 -0.002 0.000 0.837 66 P CA 0.746 63.842 63.100 -0.007 0.000 1.279 66 P CB -0.488 31.201 31.700 -0.018 0.000 1.424 67 S N 2.616 118.318 115.700 0.003 0.000 2.687 67 S HA 0.476 4.942 4.470 -0.008 0.000 0.283 67 S C -1.670 172.936 174.600 0.010 0.000 1.170 67 S CA -1.620 56.582 58.200 0.004 0.000 1.008 67 S CB 1.282 64.484 63.200 0.002 0.000 1.026 67 S HN -0.005 nan 8.310 nan 0.000 0.541 68 P HA 0.011 nan 4.420 nan 0.000 0.221 68 P C 1.104 178.408 177.300 0.007 0.000 1.145 68 P CA 1.455 64.561 63.100 0.010 0.000 0.795 68 P CB -0.144 31.557 31.700 0.002 0.000 0.775 69 A N -2.154 120.669 122.820 0.005 0.000 2.081 69 A HA 0.089 4.404 4.320 -0.008 0.000 0.214 69 A C 1.000 178.591 177.584 0.013 0.000 1.158 69 A CA 0.942 52.982 52.037 0.004 0.000 0.724 69 A CB -0.269 18.732 19.000 0.001 0.000 0.826 69 A HN 0.023 nan 8.150 nan 0.000 0.463 70 K N -0.082 120.327 120.400 0.016 0.000 2.695 70 K HA 0.400 4.715 4.320 -0.008 0.000 0.255 70 K C -0.850 175.764 176.600 0.024 0.000 1.016 70 K CA -0.233 56.067 56.287 0.021 0.000 0.928 70 K CB 1.054 33.563 32.500 0.016 0.000 1.235 70 K HN 0.596 nan 8.250 nan 0.000 0.467 71 R N 0.961 121.483 120.500 0.036 0.000 2.733 71 R HA 0.522 4.857 4.340 -0.008 0.000 0.272 71 R C -0.938 175.398 176.300 0.060 0.000 1.029 71 R CA -1.120 55.003 56.100 0.040 0.000 0.888 71 R CB 0.680 31.001 30.300 0.036 0.000 1.251 71 R HN 0.195 nan 8.270 nan 0.000 0.464 72 N N -0.397 118.347 118.700 0.074 0.000 2.447 72 N HA 0.626 5.361 4.740 -0.008 0.000 0.271 72 N C -0.938 174.642 175.510 0.117 0.000 1.226 72 N CA -0.237 52.887 53.050 0.123 0.000 0.980 72 N CB 1.608 40.231 38.487 0.227 0.000 1.206 72 N HN 0.706 nan 8.380 nan 0.000 0.558 73 A N -0.262 122.643 122.820 0.143 0.000 2.401 73 A HA 0.655 4.970 4.320 -0.008 0.000 0.310 73 A C -0.682 177.002 177.584 0.167 0.000 1.075 73 A CA -0.680 51.421 52.037 0.107 0.000 0.746 73 A CB 0.996 20.020 19.000 0.039 0.000 1.277 73 A HN 0.398 nan 8.150 nan 0.000 0.425 74 V N -0.483 119.504 119.914 0.121 0.000 2.604 74 V HA 0.854 4.969 4.120 -0.008 0.000 0.305 74 V C -0.734 175.406 176.094 0.077 0.000 1.043 74 V CA -0.729 61.661 62.300 0.151 0.000 0.888 74 V CB 1.216 33.131 31.823 0.154 0.000 0.995 74 V HN 0.681 nan 8.190 nan 0.000 0.429 75 V N 6.637 126.590 119.914 0.065 0.000 2.443 75 V HA 0.628 4.744 4.120 -0.008 0.000 0.293 75 V C 0.012 176.089 176.094 -0.029 0.000 1.021 75 V CA -0.313 61.976 62.300 -0.018 0.000 0.848 75 V CB 1.421 33.197 31.823 -0.078 0.000 0.998 75 V HN 1.100 nan 8.190 nan 0.000 0.424 76 M N 3.318 122.898 119.600 -0.034 0.000 2.644 76 M HA 0.888 5.363 4.480 -0.008 0.000 0.304 76 M C 0.151 176.417 176.300 -0.057 0.000 1.215 76 M CA -0.493 54.784 55.300 -0.039 0.000 0.871 76 M CB 2.251 34.885 32.600 0.057 0.000 1.740 76 M HN 0.576 nan 8.290 nan 0.000 0.464 77 G N 1.057 109.813 108.800 -0.072 0.000 2.539 77 G HA2 0.244 4.199 3.960 -0.008 0.000 0.258 77 G HA3 0.244 4.199 3.960 -0.008 0.000 0.258 77 G C 0.404 175.308 174.900 0.007 0.000 1.202 77 G CA -0.581 44.488 45.100 -0.052 0.000 0.851 77 G HN 1.009 nan 8.290 nan 0.000 0.556 78 R N 0.498 121.001 120.500 0.005 0.000 2.119 78 R HA -0.132 4.203 4.340 -0.008 0.000 0.246 78 R C 2.172 178.542 176.300 0.116 0.000 1.146 78 R CA 1.848 57.976 56.100 0.047 0.000 0.962 78 R CB -0.170 30.143 30.300 0.020 0.000 0.863 78 R HN 0.590 nan 8.270 nan 0.000 0.442 79 K N -1.023 119.416 120.400 0.064 0.000 2.228 79 K HA -0.019 4.297 4.320 -0.008 0.000 0.202 79 K C 1.967 178.594 176.600 0.045 0.000 1.051 79 K CA 1.519 57.837 56.287 0.052 0.000 0.960 79 K CB 0.082 32.592 32.500 0.015 0.000 0.743 79 K HN 0.220 nan 8.250 nan 0.000 0.458 80 T N 0.982 115.561 114.554 0.042 0.000 2.746 80 T HA -0.203 4.143 4.350 -0.008 0.000 0.267 80 T C 1.225 175.978 174.700 0.089 0.000 1.039 80 T CA 0.974 63.090 62.100 0.027 0.000 1.142 80 T CB -0.294 68.572 68.868 -0.003 0.000 0.866 80 T HN 0.479 nan 8.240 nan 0.000 0.444 81 W N 2.434 123.710 121.300 -0.040 0.000 2.325 81 W HA -0.207 4.448 4.660 -0.008 0.000 0.299 81 W C 1.081 177.588 176.519 -0.020 0.000 1.215 81 W CA 1.548 58.879 57.345 -0.023 0.000 1.244 81 W CB -0.207 29.241 29.460 -0.020 0.000 1.140 81 W HN 0.292 nan 8.180 nan 0.000 0.523 82 D N 0.000 120.403 120.400 0.004 0.000 2.117 82 D HA -0.192 4.443 4.640 -0.008 0.000 0.198 82 D C 2.472 178.687 176.300 -0.142 0.000 0.982 82 D CA 2.313 56.254 54.000 -0.099 0.000 0.828 82 D CB -0.836 39.962 40.800 -0.002 0.000 0.967 82 D HN 0.154 nan 8.370 nan 0.000 0.464 83 S N 0.154 115.791 115.700 -0.105 0.000 2.465 83 S HA -0.141 4.324 4.470 -0.008 0.000 0.241 83 S C 0.936 175.438 174.600 -0.165 0.000 1.000 83 S CA 0.318 58.444 58.200 -0.124 0.000 0.964 83 S CB -0.698 62.433 63.200 -0.114 0.000 0.763 83 S HN 0.209 nan 8.310 nan 0.000 0.512 84 I N 2.992 123.437 120.570 -0.207 0.000 2.312 84 I HA 0.361 4.526 4.170 -0.008 0.000 0.291 84 I C -2.491 173.474 176.117 -0.254 0.000 1.031 84 I CA -2.707 58.446 61.300 -0.245 0.000 1.293 84 I CB 0.956 38.791 38.000 -0.275 0.000 1.403 84 I HN -0.008 nan 8.210 nan 0.000 0.484 85 P HA 0.052 nan 4.420 nan 0.000 0.269 85 P C -1.822 175.441 177.300 -0.063 0.000 1.215 85 P CA -1.026 62.032 63.100 -0.071 0.000 0.780 85 P CB -0.018 31.703 31.700 0.035 0.000 0.898 86 P HA -0.250 nan 4.420 nan 0.000 0.216 86 P C 1.153 178.406 177.300 -0.078 0.000 1.157 86 P CA 2.228 65.264 63.100 -0.106 0.000 0.880 86 P CB -0.273 31.385 31.700 -0.069 0.000 0.791 87 K N -1.167 119.202 120.400 -0.052 0.000 2.211 87 K HA -0.115 4.200 4.320 -0.008 0.000 0.204 87 K C 1.765 178.219 176.600 -0.244 0.000 1.047 87 K CA 1.385 57.584 56.287 -0.146 0.000 0.935 87 K CB -0.959 31.425 32.500 -0.194 0.000 0.728 87 K HN 0.148 nan 8.250 nan 0.000 0.452 88 F N 1.725 121.600 119.950 -0.124 0.000 2.698 88 F HA 0.162 4.684 4.527 -0.008 0.000 0.295 88 F C 0.728 176.443 175.800 -0.141 0.000 1.124 88 F CA -0.335 57.592 58.000 -0.121 0.000 1.426 88 F CB 0.284 39.210 39.000 -0.123 0.000 1.120 88 F HN -0.205 nan 8.300 nan 0.000 0.583 89 R N 1.883 122.352 120.500 -0.051 0.000 2.390 89 R HA 0.272 4.607 4.340 -0.008 0.000 0.291 89 R C -2.272 174.035 176.300 0.011 0.000 1.070 89 R CA -1.630 54.393 56.100 -0.128 0.000 1.014 89 R CB -0.188 29.822 30.300 -0.483 0.000 1.007 89 R HN -0.042 nan 8.270 nan 0.000 0.466 90 P HA 0.197 nan 4.420 nan 0.000 0.301 90 P C -0.618 176.737 177.300 0.092 0.000 1.309 90 P CA -0.756 62.452 63.100 0.179 0.000 0.782 90 P CB 0.708 32.556 31.700 0.245 0.000 1.282 91 L N 1.294 122.575 121.223 0.097 0.000 2.385 91 L HA 0.234 4.569 4.340 -0.008 0.000 0.281 91 L C -2.007 174.864 176.870 0.001 0.000 1.106 91 L CA -1.674 53.179 54.840 0.022 0.000 0.856 91 L CB -0.059 41.988 42.059 -0.020 0.000 1.186 91 L HN 0.185 nan 8.230 nan 0.000 0.453 92 P HA 0.142 nan 4.420 nan 0.000 0.270 92 P C 0.763 178.041 177.300 -0.036 0.000 1.242 92 P CA 0.344 63.432 63.100 -0.019 0.000 0.768 92 P CB 1.025 32.709 31.700 -0.026 0.000 0.820 93 G N 2.585 111.372 108.800 -0.022 0.000 2.255 93 G HA2 -0.137 3.819 3.960 -0.008 0.000 0.196 93 G HA3 -0.137 3.819 3.960 -0.008 0.000 0.196 93 G C -0.053 174.838 174.900 -0.015 0.000 0.998 93 G CA -0.396 44.688 45.100 -0.027 0.000 0.656 93 G HN 0.740 nan 8.290 nan 0.000 0.490 94 R N -0.285 120.212 120.500 -0.004 0.000 2.707 94 R HA 0.717 5.053 4.340 -0.008 0.000 0.272 94 R C -0.862 175.463 176.300 0.041 0.000 1.011 94 R CA -1.191 54.921 56.100 0.019 0.000 0.893 94 R CB 1.436 31.740 30.300 0.007 0.000 1.233 94 R HN 0.274 nan 8.270 nan 0.000 0.464 95 L N 2.971 124.226 121.223 0.054 0.000 2.385 95 L HA 0.208 4.544 4.340 -0.008 0.000 0.281 95 L C -0.595 176.298 176.870 0.039 0.000 1.106 95 L CA 0.206 55.078 54.840 0.054 0.000 0.856 95 L CB 0.094 42.195 42.059 0.070 0.000 1.186 95 L HN 0.709 nan 8.230 nan 0.000 0.453 96 N N 4.589 123.313 118.700 0.040 0.000 2.430 96 N HA 0.199 4.935 4.740 -0.008 0.000 0.265 96 N C -0.844 174.621 175.510 -0.075 0.000 1.100 96 N CA -0.350 52.720 53.050 0.034 0.000 0.961 96 N CB 1.795 40.360 38.487 0.130 0.000 1.075 96 N HN 0.348 nan 8.380 nan 0.000 0.478 97 V N 3.417 123.280 119.914 -0.085 0.000 2.409 97 V HA 0.301 4.416 4.120 -0.008 0.000 0.291 97 V C 0.028 176.012 176.094 -0.182 0.000 1.020 97 V CA -0.722 61.487 62.300 -0.152 0.000 0.848 97 V CB 1.736 33.475 31.823 -0.139 0.000 0.990 97 V HN 0.284 nan 8.190 nan 0.000 0.430 98 V N 6.382 126.130 119.914 -0.277 0.000 2.409 98 V HA 0.450 4.566 4.120 -0.008 0.000 0.291 98 V C -0.143 175.826 176.094 -0.208 0.000 1.020 98 V CA -0.596 61.532 62.300 -0.287 0.000 0.848 98 V CB 1.693 33.172 31.823 -0.573 0.000 0.990 98 V HN 0.667 nan 8.190 nan 0.000 0.430 99 L N 4.115 125.253 121.223 -0.141 0.000 2.278 99 L HA 0.664 4.999 4.340 -0.008 0.000 0.287 99 L C 0.319 177.137 176.870 -0.087 0.000 1.072 99 L CA 0.458 55.232 54.840 -0.110 0.000 0.819 99 L CB 0.945 42.947 42.059 -0.095 0.000 1.176 99 L HN 0.690 nan 8.230 nan 0.000 0.435 100 S N 1.036 116.687 115.700 -0.081 0.000 2.550 100 S HA 0.483 4.949 4.470 -0.008 0.000 0.270 100 S C 0.172 174.745 174.600 -0.046 0.000 1.145 100 S CA -0.418 57.748 58.200 -0.056 0.000 0.852 100 S CB 2.222 65.387 63.200 -0.059 0.000 1.119 100 S HN 0.542 nan 8.310 nan 0.000 0.465 101 S N 0.752 116.433 115.700 -0.031 0.000 2.591 101 S HA 0.035 4.500 4.470 -0.008 0.000 0.235 101 S C 1.864 176.449 174.600 -0.026 0.000 1.074 101 S CA 0.912 59.095 58.200 -0.028 0.000 0.925 101 S CB -0.210 62.976 63.200 -0.022 0.000 0.818 101 S HN 0.919 nan 8.310 nan 0.000 0.535 102 T N 1.158 115.701 114.554 -0.018 0.000 2.915 102 T HA 0.164 4.509 4.350 -0.008 0.000 0.269 102 T C 0.537 175.226 174.700 -0.019 0.000 1.071 102 T CA 0.705 62.794 62.100 -0.018 0.000 1.132 102 T CB -0.325 68.543 68.868 -0.002 0.000 0.878 102 T HN 0.130 nan 8.240 nan 0.000 0.479 103 L N 1.854 123.075 121.223 -0.002 0.000 2.334 103 L HA 0.569 4.905 4.340 -0.008 0.000 0.273 103 L C 0.403 177.268 176.870 -0.008 0.000 1.013 103 L CA -1.005 53.850 54.840 0.025 0.000 0.816 103 L CB 2.168 44.258 42.059 0.052 0.000 1.278 103 L HN 0.166 nan 8.230 nan 0.000 0.431 104 T N -3.238 111.325 114.554 0.015 0.000 2.938 104 T HA 0.264 4.610 4.350 -0.008 0.000 0.285 104 T C 1.015 175.707 174.700 -0.013 0.000 1.028 104 T CA -0.491 61.605 62.100 -0.008 0.000 1.005 104 T CB 1.468 70.336 68.868 -0.000 0.000 1.157 104 T HN 0.562 nan 8.240 nan 0.000 0.550 105 T N 0.547 115.080 114.554 -0.035 0.000 2.699 105 T HA -0.221 4.124 4.350 -0.008 0.000 0.268 105 T C 1.941 176.632 174.700 -0.015 0.000 1.036 105 T CA 2.081 64.151 62.100 -0.050 0.000 1.147 105 T CB -0.486 68.359 68.868 -0.039 0.000 0.862 105 T HN 0.764 nan 8.240 nan 0.000 0.446 106 Q N 1.015 120.826 119.800 0.019 0.000 1.993 106 Q HA -0.160 4.175 4.340 -0.008 0.000 0.202 106 Q C 1.957 178.000 176.000 0.072 0.000 0.984 106 Q CA 1.663 57.491 55.803 0.043 0.000 0.837 106 Q CB -0.681 28.089 28.738 0.053 0.000 0.902 106 Q HN 0.689 nan 8.270 nan 0.000 0.423 107 H N -0.430 118.637 119.070 -0.005 0.000 2.562 107 H HA 0.041 4.592 4.556 -0.008 0.000 0.272 107 H C 0.986 176.332 175.328 0.029 0.000 1.019 107 H CA 0.493 56.548 56.048 0.011 0.000 1.160 107 H CB 0.293 30.058 29.762 0.005 0.000 1.334 107 H HN 0.309 nan 8.280 nan 0.000 0.611 108 L N -0.010 121.226 121.223 0.021 0.000 2.408 108 L HA 0.080 4.415 4.340 -0.008 0.000 0.215 108 L C 0.817 177.734 176.870 0.079 0.000 1.081 108 L CA 0.164 55.025 54.840 0.036 0.000 0.840 108 L CB 0.392 42.403 42.059 -0.080 0.000 1.002 108 L HN 0.120 nan 8.230 nan 0.000 0.468 109 L N 2.587 123.830 121.223 0.033 0.000 2.384 109 L HA 0.061 4.396 4.340 -0.008 0.000 0.258 109 L C -0.174 176.707 176.870 0.019 0.000 1.266 109 L CA -0.443 54.426 54.840 0.047 0.000 1.162 109 L CB -0.465 41.613 42.059 0.030 0.000 1.375 109 L HN 0.188 nan 8.230 nan 0.000 0.420 110 D N 1.394 121.808 120.400 0.024 0.000 2.325 110 D HA 0.053 4.688 4.640 -0.008 0.000 0.251 110 D C 0.777 177.081 176.300 0.007 0.000 1.196 110 D CA -0.471 53.526 54.000 -0.004 0.000 0.866 110 D CB 1.948 42.739 40.800 -0.015 0.000 1.101 110 D HN 0.365 nan 8.370 nan 0.000 0.476 111 G N 2.890 111.690 108.800 -0.001 0.000 3.949 111 G HA2 0.100 4.055 3.960 -0.008 0.000 0.295 111 G HA3 0.100 4.055 3.960 -0.008 0.000 0.295 111 G C 0.748 175.644 174.900 -0.006 0.000 1.286 111 G CA -0.399 44.702 45.100 0.002 0.000 1.171 111 G HN 0.506 nan 8.290 nan 0.000 0.586 112 L N 0.258 121.475 121.223 -0.011 0.000 2.221 112 L HA 0.205 4.541 4.340 -0.008 0.000 0.202 112 L C 0.059 176.916 176.870 -0.022 0.000 1.074 112 L CA 0.956 55.786 54.840 -0.016 0.000 0.795 112 L CB -1.007 41.041 42.059 -0.019 0.000 0.960 112 L HN 0.101 nan 8.230 nan 0.000 0.458 113 P HA -0.060 nan 4.420 nan 0.000 0.202 113 P C -0.103 177.179 177.300 -0.030 0.000 1.171 113 P CA 1.102 64.180 63.100 -0.037 0.000 0.925 113 P CB 0.056 31.732 31.700 -0.041 0.000 0.760 114 D N -2.428 117.960 120.400 -0.020 0.000 3.344 114 D HA 0.231 4.866 4.640 -0.008 0.000 0.308 114 D C -0.508 175.791 176.300 -0.002 0.000 1.356 114 D CA -0.424 53.567 54.000 -0.015 0.000 0.998 114 D CB 1.208 41.995 40.800 -0.022 0.000 1.370 114 D HN 0.285 nan 8.370 nan 0.000 0.610 123 D N -0.065 120.348 120.400 0.022 0.000 2.946 123 D HA -0.147 4.488 4.640 -0.008 0.000 0.202 123 D C 0.604 176.924 176.300 0.035 0.000 1.068 123 D CA 2.038 56.052 54.000 0.022 0.000 1.011 123 D CB -0.854 39.954 40.800 0.013 0.000 1.105 123 D HN 0.721 nan 8.370 nan 0.000 0.425 124 S N -0.430 115.294 115.700 0.039 0.000 3.082 124 S HA 0.382 4.848 4.470 -0.008 0.000 0.253 124 S C 0.117 174.744 174.600 0.044 0.000 0.961 124 S CA -0.381 57.848 58.200 0.048 0.000 1.129 124 S CB 1.453 64.683 63.200 0.050 0.000 1.083 124 S HN 0.437 nan 8.310 nan 0.000 0.605 125 I N 0.653 121.236 120.570 0.021 0.000 2.685 125 I HA 0.528 4.693 4.170 -0.008 0.000 0.289 125 I C -2.110 173.972 176.117 -0.057 0.000 1.292 125 I CA -0.553 60.724 61.300 -0.039 0.000 1.050 125 I CB 1.478 39.445 38.000 -0.055 0.000 1.301 125 I HN -0.148 nan 8.210 nan 0.000 0.425 126 V N 6.362 126.216 119.914 -0.100 0.000 2.789 126 V HA 0.828 4.943 4.120 -0.008 0.000 0.311 126 V C 0.079 176.075 176.094 -0.163 0.000 1.073 126 V CA -0.446 61.800 62.300 -0.091 0.000 0.921 126 V CB 1.777 33.574 31.823 -0.043 0.000 1.009 126 V HN 0.843 nan 8.190 nan 0.000 0.426 127 A N 3.449 126.184 122.820 -0.143 0.000 2.303 127 A HA 0.890 5.206 4.320 -0.008 0.000 0.317 127 A C -0.810 176.700 177.584 -0.122 0.000 1.149 127 A CA -0.535 51.405 52.037 -0.162 0.000 0.822 127 A CB 1.425 20.339 19.000 -0.143 0.000 1.131 127 A HN 0.779 nan 8.150 nan 0.000 0.493 128 V N 2.656 122.494 119.914 -0.126 0.000 2.483 128 V HA 0.240 4.356 4.120 -0.008 0.000 0.297 128 V C -0.012 176.031 176.094 -0.086 0.000 1.027 128 V CA -0.844 61.393 62.300 -0.104 0.000 0.855 128 V CB 1.632 33.382 31.823 -0.121 0.000 0.995 128 V HN 0.885 nan 8.190 nan 0.000 0.424 129 N N 3.891 122.551 118.700 -0.067 0.000 3.178 129 N HA 0.438 5.174 4.740 -0.008 0.000 0.300 129 N C 0.178 175.657 175.510 -0.051 0.000 1.242 129 N CA 0.852 53.869 53.050 -0.054 0.000 1.192 129 N CB 0.464 38.926 38.487 -0.042 0.000 1.463 129 N HN 1.013 nan 8.380 nan 0.000 0.539 130 G N -1.469 107.296 108.800 -0.058 0.000 2.348 130 G HA2 0.432 4.387 3.960 -0.008 0.000 0.296 130 G HA3 0.432 4.387 3.960 -0.008 0.000 0.296 130 G C -0.352 174.510 174.900 -0.063 0.000 1.258 130 G CA -0.226 44.842 45.100 -0.054 0.000 0.868 130 G HN 0.360 nan 8.290 nan 0.000 0.488 131 G N -1.331 107.432 108.800 -0.061 0.000 2.531 131 G HA2 0.540 4.495 3.960 -0.008 0.000 0.281 131 G HA3 0.540 4.495 3.960 -0.008 0.000 0.281 131 G C 1.068 175.909 174.900 -0.099 0.000 1.382 131 G CA 0.227 45.286 45.100 -0.069 0.000 1.045 131 G HN 1.102 nan 8.290 nan 0.000 0.533 132 L N -0.441 120.714 121.223 -0.114 0.000 2.083 132 L HA -0.020 4.315 4.340 -0.008 0.000 0.209 132 L C 2.583 179.337 176.870 -0.194 0.000 1.083 132 L CA 2.628 57.363 54.840 -0.175 0.000 0.752 132 L CB -0.565 41.375 42.059 -0.198 0.000 0.899 132 L HN 0.836 nan 8.230 nan 0.000 0.433 133 E N -1.015 119.103 120.200 -0.137 0.000 2.070 133 E HA -0.329 4.016 4.350 -0.008 0.000 0.197 133 E C 2.128 178.662 176.600 -0.110 0.000 1.004 133 E CA 1.635 57.967 56.400 -0.114 0.000 0.805 133 E CB -0.057 29.605 29.700 -0.062 0.000 0.744 133 E HN 0.559 nan 8.360 nan 0.000 0.451 134 Q N 0.172 119.914 119.800 -0.097 0.000 2.096 134 Q HA -0.114 4.222 4.340 -0.008 0.000 0.204 134 Q C 1.979 177.908 176.000 -0.117 0.000 0.982 134 Q CA 1.876 57.625 55.803 -0.090 0.000 0.850 134 Q CB -0.476 28.217 28.738 -0.076 0.000 0.901 134 Q HN 0.421 nan 8.270 nan 0.000 0.422 135 A N 0.096 122.829 122.820 -0.144 0.000 1.902 135 A HA -0.148 4.168 4.320 -0.008 0.000 0.217 135 A C 2.037 179.505 177.584 -0.194 0.000 1.181 135 A CA 1.210 53.141 52.037 -0.176 0.000 0.623 135 A CB -0.726 18.163 19.000 -0.185 0.000 0.818 135 A HN 0.366 nan 8.150 nan 0.000 0.443 136 L N -1.046 120.058 121.223 -0.199 0.000 2.131 136 L HA -0.243 4.092 4.340 -0.008 0.000 0.210 136 L C 2.848 179.639 176.870 -0.132 0.000 1.092 136 L CA 1.395 56.122 54.840 -0.189 0.000 0.759 136 L CB -0.523 41.402 42.059 -0.223 0.000 0.903 136 L HN 0.504 nan 8.230 nan 0.000 0.435 137 Q N -0.352 119.379 119.800 -0.115 0.000 2.016 137 Q HA -0.235 4.100 4.340 -0.008 0.000 0.200 137 Q C 2.261 178.217 176.000 -0.074 0.000 0.978 137 Q CA 1.378 57.133 55.803 -0.080 0.000 0.833 137 Q CB -0.220 28.480 28.738 -0.063 0.000 0.895 137 Q HN 0.301 nan 8.270 nan 0.000 0.427 138 L N 0.411 121.568 121.223 -0.109 0.000 2.081 138 L HA -0.195 4.140 4.340 -0.008 0.000 0.212 138 L C 1.822 178.577 176.870 -0.192 0.000 1.080 138 L CA 1.592 56.352 54.840 -0.133 0.000 0.754 138 L CB -0.146 41.787 42.059 -0.210 0.000 0.893 138 L HN 0.208 nan 8.230 nan 0.000 0.433 139 L N -1.298 119.785 121.223 -0.233 0.000 2.395 139 L HA 0.007 4.343 4.340 -0.008 0.000 0.218 139 L C 2.320 179.181 176.870 -0.015 0.000 1.130 139 L CA 0.664 55.382 54.840 -0.202 0.000 0.826 139 L CB -0.528 41.412 42.059 -0.198 0.000 0.941 139 L HN 0.290 nan 8.230 nan 0.000 0.451 140 A N -0.624 122.188 122.820 -0.014 0.000 2.132 140 A HA 0.038 4.354 4.320 -0.008 0.000 0.213 140 A C 1.433 179.050 177.584 0.055 0.000 1.154 140 A CA 0.433 52.480 52.037 0.017 0.000 0.753 140 A CB -0.281 18.709 19.000 -0.017 0.000 0.826 140 A HN 0.395 nan 8.150 nan 0.000 0.469 141 S N 0.240 115.992 115.700 0.086 0.000 2.584 141 S HA 0.212 4.677 4.470 -0.008 0.000 0.270 141 S C -1.211 173.461 174.600 0.121 0.000 1.346 141 S CA -0.419 57.846 58.200 0.109 0.000 1.018 141 S CB 0.539 63.820 63.200 0.135 0.000 0.899 141 S HN 0.219 nan 8.310 nan 0.000 0.542 142 P HA -0.060 nan 4.420 nan 0.000 0.225 142 P C 0.479 177.779 177.300 -0.000 0.000 1.148 142 P CA 0.995 64.118 63.100 0.038 0.000 0.779 142 P CB -0.240 31.476 31.700 0.026 0.000 0.780 143 N N -1.551 117.131 118.700 -0.029 0.000 2.512 143 N HA -0.080 4.656 4.740 -0.008 0.000 0.183 143 N C 0.973 176.232 175.510 -0.417 0.000 1.073 143 N CA 0.909 53.821 53.050 -0.231 0.000 0.911 143 N CB -0.409 37.880 38.487 -0.331 0.000 0.964 143 N HN 0.307 nan 8.380 nan 0.000 0.447 144 Y N -1.796 118.503 120.300 -0.001 0.000 2.585 144 Y HA 0.099 4.644 4.550 -0.008 0.000 0.272 144 Y C 2.362 178.264 175.900 0.003 0.000 1.119 144 Y CA 0.599 58.698 58.100 -0.002 0.000 1.255 144 Y CB -0.361 38.095 38.460 -0.007 0.000 1.284 144 Y HN 0.050 nan 8.280 nan 0.000 0.499 145 T N -1.678 112.960 114.554 0.140 0.000 2.788 145 T HA -0.094 4.251 4.350 -0.008 0.000 0.268 145 T C -0.423 174.311 174.700 0.057 0.000 1.044 145 T CA 1.039 63.191 62.100 0.087 0.000 1.139 145 T CB -1.579 67.328 68.868 0.065 0.000 0.867 145 T HN 0.076 nan 8.240 nan 0.000 0.454 146 P HA -0.084 nan 4.420 nan 0.000 0.217 146 P C 1.809 179.125 177.300 0.027 0.000 1.148 146 P CA 1.768 64.881 63.100 0.023 0.000 0.828 146 P CB -0.157 31.543 31.700 0.001 0.000 0.783 147 S N -2.810 112.912 115.700 0.036 0.000 2.665 147 S HA 0.116 4.581 4.470 -0.008 0.000 0.240 147 S C 0.834 175.474 174.600 0.066 0.000 1.081 147 S CA -0.173 58.052 58.200 0.041 0.000 0.887 147 S CB -0.248 62.967 63.200 0.023 0.000 0.805 147 S HN -0.154 nan 8.310 nan 0.000 0.486 148 I N 3.516 124.147 120.570 0.101 0.000 2.347 148 I HA 0.322 4.488 4.170 -0.008 0.000 0.294 148 I C 1.352 177.507 176.117 0.065 0.000 1.090 148 I CA 0.205 61.563 61.300 0.097 0.000 1.314 148 I CB 0.461 38.537 38.000 0.125 0.000 1.423 148 I HN 0.495 nan 8.210 nan 0.000 0.503 149 E N 4.323 124.554 120.200 0.052 0.000 2.033 149 E HA -0.026 4.319 4.350 -0.008 0.000 0.189 149 E C -0.219 176.391 176.600 0.017 0.000 0.979 149 E CA 0.997 57.419 56.400 0.037 0.000 0.802 149 E CB 0.525 30.247 29.700 0.036 0.000 0.763 149 E HN 0.601 nan 8.360 nan 0.000 0.449 150 T N 0.821 115.381 114.554 0.009 0.000 2.881 150 T HA 0.416 4.762 4.350 -0.008 0.000 0.290 150 T C -0.743 173.864 174.700 -0.155 0.000 1.000 150 T CA -0.725 61.316 62.100 -0.097 0.000 0.978 150 T CB 2.280 71.067 68.868 -0.134 0.000 0.997 150 T HN -0.137 nan 8.240 nan 0.000 0.443 151 V N 3.147 122.936 119.914 -0.208 0.000 2.539 151 V HA 0.502 4.617 4.120 -0.008 0.000 0.292 151 V C -1.161 174.766 176.094 -0.278 0.000 1.045 151 V CA -0.693 61.541 62.300 -0.111 0.000 0.945 151 V CB 0.661 32.487 31.823 0.005 0.000 0.993 151 V HN 0.828 nan 8.190 nan 0.000 0.464 152 Y N 2.036 122.428 120.300 0.154 0.000 2.346 152 Y HA 0.400 4.945 4.550 -0.008 0.000 0.332 152 Y C 0.108 176.124 175.900 0.194 0.000 0.985 152 Y CA -0.547 57.669 58.100 0.193 0.000 1.112 152 Y CB 1.754 40.295 38.460 0.136 0.000 1.170 152 Y HN 0.666 nan 8.280 nan 0.000 0.447 153 C N 7.305 126.853 119.300 0.413 0.000 2.289 153 C HA 0.343 4.799 4.460 -0.008 0.000 0.340 153 C C 1.481 176.592 174.990 0.202 0.000 1.152 153 C CA -0.508 58.668 59.018 0.264 0.000 1.650 153 C CB -1.942 26.024 27.740 0.377 0.000 2.203 153 C HN 0.885 nan 8.230 nan 0.000 0.511 154 I N 4.044 124.668 120.570 0.090 0.000 3.939 154 I HA 0.374 4.540 4.170 -0.008 0.000 0.313 154 I C 0.681 176.694 176.117 -0.173 0.000 1.274 154 I CA 0.613 61.933 61.300 0.033 0.000 1.301 154 I CB -0.528 37.587 38.000 0.192 0.000 1.105 154 I HN 0.638 nan 8.210 nan 0.000 0.427 155 G N 0.455 109.077 108.800 -0.297 0.000 2.542 155 G HA2 0.584 4.539 3.960 -0.008 0.000 0.311 155 G HA3 0.584 4.539 3.960 -0.008 0.000 0.311 155 G C -0.291 174.297 174.900 -0.519 0.000 1.298 155 G CA -0.307 44.590 45.100 -0.339 0.000 0.973 155 G HN 0.782 nan 8.290 nan 0.000 0.487 156 G N -0.687 107.856 108.800 -0.429 0.000 3.338 156 G HA2 0.343 4.298 3.960 -0.008 0.000 0.686 156 G HA3 0.343 4.298 3.960 -0.008 0.000 0.686 156 G C 0.978 175.750 174.900 -0.212 0.000 1.053 156 G CA 0.024 44.964 45.100 -0.268 0.000 0.852 156 G HN 1.633 nan 8.290 nan 0.000 0.545 157 G N 1.327 110.151 108.800 0.040 0.000 2.440 157 G HA2 0.038 3.994 3.960 -0.008 0.000 0.218 157 G HA3 0.038 3.994 3.960 -0.008 0.000 0.218 157 G C 2.295 177.296 174.900 0.168 0.000 1.154 157 G CA 2.068 47.293 45.100 0.208 0.000 0.767 157 G HN 2.133 nan 8.290 nan 0.000 0.552 158 S N -0.034 115.710 115.700 0.074 0.000 2.447 158 S HA -0.005 4.461 4.470 -0.008 0.000 0.233 158 S C 2.173 176.796 174.600 0.040 0.000 1.006 158 S CA 1.277 59.513 58.200 0.060 0.000 0.957 158 S CB -0.065 63.153 63.200 0.030 0.000 0.773 158 S HN 0.122 nan 8.310 nan 0.000 0.507 159 V N 0.127 120.027 119.914 -0.024 0.000 2.446 159 V HA 0.009 4.124 4.120 -0.008 0.000 0.244 159 V C 2.212 178.313 176.094 0.011 0.000 1.039 159 V CA 1.078 63.335 62.300 -0.072 0.000 1.045 159 V CB -1.077 30.632 31.823 -0.191 0.000 0.681 159 V HN 0.376 nan 8.190 nan 0.000 0.459 160 Y N 1.360 121.712 120.300 0.088 0.000 2.128 160 Y HA -0.204 4.341 4.550 -0.008 0.000 0.284 160 Y C 2.648 178.680 175.900 0.219 0.000 1.154 160 Y CA 1.122 59.324 58.100 0.171 0.000 1.149 160 Y CB -1.320 37.239 38.460 0.165 0.000 0.976 160 Y HN 0.184 nan 8.280 nan 0.000 0.505 161 A N 0.034 123.053 122.820 0.332 0.000 1.892 161 A HA -0.326 3.989 4.320 -0.008 0.000 0.218 161 A C 2.237 179.919 177.584 0.164 0.000 1.188 161 A CA 2.178 54.346 52.037 0.218 0.000 0.631 161 A CB -0.890 18.205 19.000 0.159 0.000 0.822 161 A HN 0.564 nan 8.150 nan 0.000 0.447 162 E N -0.341 119.938 120.200 0.131 0.000 2.106 162 E HA -0.045 4.300 4.350 -0.008 0.000 0.192 162 E C 1.981 178.662 176.600 0.136 0.000 0.984 162 E CA 0.973 57.429 56.400 0.093 0.000 0.806 162 E CB -0.276 29.446 29.700 0.037 0.000 0.750 162 E HN 0.538 nan 8.360 nan 0.000 0.458 163 A N 0.539 123.488 122.820 0.215 0.000 2.015 163 A HA -0.062 4.253 4.320 -0.008 0.000 0.219 163 A C 1.680 179.466 177.584 0.337 0.000 1.163 163 A CA 0.718 52.969 52.037 0.356 0.000 0.646 163 A CB -0.016 19.288 19.000 0.506 0.000 0.806 163 A HN 0.307 nan 8.150 nan 0.000 0.448 164 L N -0.132 121.241 121.223 0.250 0.000 2.741 164 L HA 0.229 4.564 4.340 -0.008 0.000 0.237 164 L C 0.561 177.499 176.870 0.114 0.000 1.178 164 L CA 0.460 55.408 54.840 0.181 0.000 0.973 164 L CB -1.121 41.014 42.059 0.126 0.000 1.255 164 L HN 0.581 nan 8.230 nan 0.000 0.498 165 R N -1.333 119.225 120.500 0.097 0.000 2.725 165 R HA 0.637 4.973 4.340 -0.008 0.000 0.277 165 R C -2.897 173.412 176.300 0.015 0.000 0.987 165 R CA -1.986 54.142 56.100 0.046 0.000 0.901 165 R CB 0.636 30.968 30.300 0.054 0.000 1.207 165 R HN -0.245 nan 8.270 nan 0.000 0.463 166 P HA -0.004 nan 4.420 nan 0.000 0.266 166 P C -1.850 175.478 177.300 0.047 0.000 1.186 166 P CA -0.651 62.445 63.100 -0.007 0.000 0.767 166 P CB 0.291 32.029 31.700 0.062 0.000 0.820 167 P HA 0.130 nan 4.420 nan 0.000 0.261 167 P C 0.441 177.811 177.300 0.117 0.000 1.268 167 P CA 0.348 63.522 63.100 0.123 0.000 0.833 167 P CB -0.075 31.695 31.700 0.117 0.000 1.231 168 C N -0.522 118.832 119.300 0.090 0.000 2.429 168 C HA -0.075 4.380 4.460 -0.008 0.000 0.277 168 C C 2.703 177.871 174.990 0.297 0.000 1.262 168 C CA 0.641 59.759 59.018 0.167 0.000 1.733 168 C CB -1.481 26.326 27.740 0.112 0.000 2.010 168 C HN 0.133 nan 8.230 nan 0.000 0.483 169 V N 0.733 120.728 119.914 0.136 0.000 2.688 169 V HA -0.207 3.908 4.120 -0.008 0.000 0.256 169 V C 2.275 178.409 176.094 0.067 0.000 1.084 169 V CA 1.955 64.322 62.300 0.111 0.000 1.103 169 V CB -0.791 31.034 31.823 0.004 0.000 0.688 169 V HN 0.628 nan 8.190 nan 0.000 0.480 170 H N -1.107 118.080 119.070 0.196 0.000 2.547 170 H HA 0.135 4.686 4.556 -0.008 0.000 0.272 170 H C 1.727 177.165 175.328 0.183 0.000 0.989 170 H CA 0.691 56.829 56.048 0.150 0.000 1.214 170 H CB 0.312 30.159 29.762 0.142 0.000 1.389 170 H HN 0.326 nan 8.280 nan 0.000 0.577 171 L N 0.402 121.827 121.223 0.335 0.000 2.585 171 L HA 0.071 4.407 4.340 -0.008 0.000 0.226 171 L C 0.567 177.522 176.870 0.141 0.000 1.113 171 L CA -0.009 55.032 54.840 0.335 0.000 0.876 171 L CB -0.512 41.802 42.059 0.424 0.000 1.072 171 L HN 0.108 nan 8.230 nan 0.000 0.468 172 L N 0.588 121.775 121.223 -0.059 0.000 2.500 172 L HA 0.002 4.337 4.340 -0.008 0.000 0.272 172 L C 1.368 178.175 176.870 -0.106 0.000 1.149 172 L CA 0.836 55.407 54.840 -0.447 0.000 0.897 172 L CB 0.710 42.640 42.059 -0.216 0.000 1.178 172 L HN 0.190 nan 8.230 nan 0.000 0.473 173 Q N 3.709 123.425 119.800 -0.141 0.000 2.204 173 Q HA 0.358 4.693 4.340 -0.008 0.000 0.198 173 Q C -0.071 175.961 176.000 0.053 0.000 0.946 173 Q CA 0.882 56.674 55.803 -0.019 0.000 0.859 173 Q CB 0.353 29.082 28.738 -0.014 0.000 0.946 173 Q HN 0.820 nan 8.270 nan 0.000 0.474 174 A N 0.133 122.988 122.820 0.058 0.000 2.605 174 A HA 0.614 4.929 4.320 -0.008 0.000 0.294 174 A C -1.682 175.900 177.584 -0.003 0.000 1.062 174 A CA -0.665 51.399 52.037 0.045 0.000 0.682 174 A CB 1.180 20.141 19.000 -0.065 0.000 1.278 174 A HN 0.155 nan 8.150 nan 0.000 0.410 175 I N 1.211 121.715 120.570 -0.112 0.000 2.418 175 I HA 0.335 4.500 4.170 -0.008 0.000 0.287 175 I C -1.504 174.520 176.117 -0.155 0.000 1.008 175 I CA -0.350 60.891 61.300 -0.098 0.000 1.104 175 I CB 1.687 39.554 38.000 -0.222 0.000 1.264 175 I HN 0.646 nan 8.210 nan 0.000 0.438 176 Y N 5.828 126.196 120.300 0.114 0.000 2.595 176 Y HA 0.397 4.942 4.550 -0.008 0.000 0.336 176 Y C 0.349 176.325 175.900 0.126 0.000 0.996 176 Y CA -0.471 57.738 58.100 0.182 0.000 1.260 176 Y CB 0.700 39.313 38.460 0.255 0.000 1.108 176 Y HN 0.423 nan 8.280 nan 0.000 0.509 177 R N 2.016 122.616 120.500 0.167 0.000 2.255 177 R HA 0.450 4.785 4.340 -0.008 0.000 0.326 177 R C -0.857 175.478 176.300 0.058 0.000 0.986 177 R CA -0.271 55.877 56.100 0.081 0.000 0.847 177 R CB 0.788 31.118 30.300 0.051 0.000 1.111 177 R HN 0.469 nan 8.270 nan 0.000 0.452 178 T N 3.079 117.649 114.554 0.026 0.000 2.795 178 T HA 0.284 4.630 4.350 -0.008 0.000 0.282 178 T C -0.663 173.905 174.700 -0.220 0.000 0.980 178 T CA -0.154 61.939 62.100 -0.012 0.000 1.012 178 T CB 1.520 70.450 68.868 0.105 0.000 0.936 178 T HN 0.501 nan 8.240 nan 0.000 0.457 179 T N 5.060 119.307 114.554 -0.511 0.000 2.833 179 T HA 0.705 5.051 4.350 -0.008 0.000 0.297 179 T C -0.146 174.197 174.700 -0.594 0.000 1.015 179 T CA -0.608 61.083 62.100 -0.682 0.000 0.963 179 T CB -0.096 67.999 68.868 -1.289 0.000 0.955 179 T HN 0.682 nan 8.240 nan 0.000 0.449 180 I N -0.818 119.473 120.570 -0.466 0.000 3.244 180 I HA 0.689 4.855 4.170 -0.008 0.000 0.314 180 I C -0.832 174.953 176.117 -0.553 0.000 1.342 180 I CA -1.221 59.835 61.300 -0.407 0.000 0.925 180 I CB 2.071 39.864 38.000 -0.346 0.000 1.321 180 I HN 0.321 nan 8.210 nan 0.000 0.500 181 R N 0.917 121.164 120.500 -0.421 0.000 5.238 181 R HA 0.321 4.657 4.340 -0.008 0.000 0.061 181 R C 1.621 177.839 176.300 -0.138 0.000 0.721 181 R CA 0.816 56.792 56.100 -0.207 0.000 1.410 181 R CB -0.778 29.437 30.300 -0.141 0.000 1.353 181 R HN 0.822 nan 8.270 nan 0.000 0.401 182 A N 1.839 124.588 122.820 -0.118 0.000 2.183 182 A HA -0.162 4.153 4.320 -0.008 0.000 0.224 182 A C 0.641 178.203 177.584 -0.037 0.000 1.169 182 A CA 1.966 53.968 52.037 -0.059 0.000 0.674 182 A CB -0.472 18.505 19.000 -0.037 0.000 0.812 182 A HN 0.515 nan 8.150 nan 0.000 0.481 183 S N -0.828 114.835 115.700 -0.061 0.000 3.066 183 S HA -0.104 4.361 4.470 -0.008 0.000 0.845 183 S C -0.197 174.421 174.600 0.029 0.000 0.957 183 S CA 0.694 58.882 58.200 -0.020 0.000 1.344 183 S CB -0.518 62.675 63.200 -0.012 0.000 0.987 183 S HN 1.159 nan 8.310 nan 0.000 0.359 184 E N 3.265 123.505 120.200 0.066 0.000 2.316 184 E HA 0.673 5.018 4.350 -0.008 0.000 0.258 184 E C 1.012 177.653 176.600 0.069 0.000 0.952 184 E CA -0.306 56.142 56.400 0.079 0.000 0.818 184 E CB 1.255 31.027 29.700 0.119 0.000 1.260 184 E HN 0.425 nan 8.360 nan 0.000 0.416 185 S N 0.948 116.683 115.700 0.057 0.000 2.363 185 S HA -0.099 4.367 4.470 -0.008 0.000 0.184 185 S C 0.886 175.517 174.600 0.052 0.000 1.256 185 S CA 1.014 59.245 58.200 0.051 0.000 1.818 185 S CB -0.805 62.419 63.200 0.039 0.000 0.781 185 S HN 0.651 nan 8.310 nan 0.000 0.371 186 S N 1.185 116.907 115.700 0.036 0.000 3.455 186 S HA 0.261 4.727 4.470 -0.008 0.000 0.288 186 S C -0.253 174.343 174.600 -0.006 0.000 1.231 186 S CA -0.634 57.584 58.200 0.029 0.000 1.031 186 S CB -1.444 61.769 63.200 0.021 0.000 1.570 186 S HN 0.476 nan 8.310 nan 0.000 0.519 187 C N 3.554 122.837 119.300 -0.028 0.000 2.281 187 C HA 0.429 4.885 4.460 -0.008 0.000 0.336 187 C C 1.801 176.685 174.990 -0.176 0.000 1.217 187 C CA -0.506 58.396 59.018 -0.194 0.000 1.730 187 C CB -0.224 27.284 27.740 -0.387 0.000 2.338 187 C HN 0.990 nan 8.230 nan 0.000 0.521 188 S N 1.982 117.616 115.700 -0.110 0.000 2.387 188 S HA -0.017 4.448 4.470 -0.008 0.000 0.221 188 S C 0.646 175.312 174.600 0.108 0.000 1.041 188 S CA 0.425 58.657 58.200 0.053 0.000 0.959 188 S CB 0.072 63.295 63.200 0.038 0.000 0.843 188 S HN 0.690 nan 8.310 nan 0.000 0.488 189 V N 1.960 121.830 119.914 -0.074 0.000 2.547 189 V HA 0.640 4.755 4.120 -0.008 0.000 0.299 189 V C -1.422 174.591 176.094 -0.134 0.000 1.040 189 V CA -0.781 61.550 62.300 0.052 0.000 0.913 189 V CB 1.034 32.894 31.823 0.062 0.000 0.992 189 V HN 0.217 nan 8.190 nan 0.000 0.449 190 F N 5.473 125.494 119.950 0.118 0.000 2.661 190 F HA 0.755 5.277 4.527 -0.008 0.000 0.347 190 F C -0.682 175.245 175.800 0.211 0.000 1.086 190 F CA -0.847 57.234 58.000 0.136 0.000 1.016 190 F CB 1.928 40.978 39.000 0.082 0.000 1.368 190 F HN 0.508 nan 8.300 nan 0.000 0.505 191 F N 1.045 121.109 119.950 0.189 0.000 2.670 191 F HA 0.625 5.147 4.527 -0.008 0.000 0.332 191 F C -1.355 174.445 175.800 0.001 0.000 1.179 191 F CA -0.540 57.479 58.000 0.031 0.000 1.076 191 F CB 1.231 40.154 39.000 -0.128 0.000 1.322 191 F HN 0.410 nan 8.300 nan 0.000 0.515 192 R N 4.205 124.273 120.500 -0.720 0.000 2.574 192 R HA 0.675 5.011 4.340 -0.008 0.000 0.288 192 R C -1.623 174.212 176.300 -0.774 0.000 1.004 192 R CA -0.999 54.750 56.100 -0.586 0.000 0.895 192 R CB 2.500 32.651 30.300 -0.248 0.000 1.191 192 R HN 0.448 nan 8.270 nan 0.000 0.444 193 V N 4.968 124.509 119.914 -0.621 0.000 2.439 193 V HA 0.185 4.300 4.120 -0.008 0.000 0.271 193 V C -1.916 173.998 176.094 -0.301 0.000 1.040 193 V CA -1.452 60.521 62.300 -0.544 0.000 1.002 193 V CB 0.665 32.191 31.823 -0.494 0.000 1.000 193 V HN 0.662 nan 8.190 nan 0.000 0.477 194 P HA 0.088 nan 4.420 nan 0.000 0.261 194 P C 0.099 177.444 177.300 0.074 0.000 1.183 194 P CA 0.152 63.238 63.100 -0.024 0.000 0.761 194 P CB 0.383 32.129 31.700 0.078 0.000 0.785 195 E N 0.921 121.146 120.200 0.042 0.000 2.404 195 E HA 0.107 4.453 4.350 -0.008 0.000 0.261 195 E C 0.269 176.926 176.600 0.094 0.000 1.074 195 E CA -0.188 56.251 56.400 0.064 0.000 0.917 195 E CB 0.425 30.140 29.700 0.026 0.000 0.965 195 E HN 0.287 nan 8.360 nan 0.000 0.433 196 S N 0.737 116.492 115.700 0.093 0.000 2.516 196 S HA 0.303 4.768 4.470 -0.008 0.000 0.282 196 S C 0.969 175.593 174.600 0.040 0.000 1.286 196 S CA 0.770 59.012 58.200 0.070 0.000 1.066 196 S CB -0.000 63.233 63.200 0.055 0.000 0.884 196 S HN 0.761 nan 8.310 nan 0.000 0.491 197 G N 3.173 111.992 108.800 0.032 0.000 2.213 197 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.236 197 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.236 197 G C 0.314 175.227 174.900 0.023 0.000 0.991 197 G CA 0.344 45.456 45.100 0.020 0.000 0.629 197 G HN 1.274 nan 8.290 nan 0.000 0.517 198 T N -1.575 112.998 114.554 0.032 0.000 2.849 198 T HA 0.606 4.951 4.350 -0.008 0.000 0.284 198 T C 1.128 175.847 174.700 0.031 0.000 1.004 198 T CA 0.571 62.687 62.100 0.027 0.000 1.021 198 T CB 1.725 70.607 68.868 0.024 0.000 1.013 198 T HN 0.237 nan 8.240 nan 0.000 0.527 199 E N 0.671 120.885 120.200 0.024 0.000 2.110 199 E HA -0.103 4.242 4.350 -0.008 0.000 0.193 199 E C 2.384 179.006 176.600 0.035 0.000 0.988 199 E CA 1.129 57.545 56.400 0.027 0.000 0.804 199 E CB -0.388 29.323 29.700 0.019 0.000 0.745 199 E HN 0.809 nan 8.360 nan 0.000 0.458 200 A N 1.104 123.943 122.820 0.031 0.000 2.067 200 A HA -0.014 4.302 4.320 -0.008 0.000 0.219 200 A C 2.255 179.879 177.584 0.067 0.000 1.158 200 A CA 1.318 53.376 52.037 0.035 0.000 0.661 200 A CB -0.312 18.694 19.000 0.011 0.000 0.801 200 A HN 0.272 nan 8.150 nan 0.000 0.452 201 A N -1.367 121.505 122.820 0.087 0.000 2.167 201 A HA 0.425 4.740 4.320 -0.008 0.000 0.214 201 A C 1.623 179.272 177.584 0.109 0.000 1.151 201 A CA 1.194 53.316 52.037 0.141 0.000 0.735 201 A CB -0.843 18.241 19.000 0.139 0.000 0.802 201 A HN 1.954 nan 8.150 nan 0.000 0.467 202 A N -2.408 120.462 122.820 0.083 0.000 2.799 202 A HA 0.123 4.438 4.320 -0.008 0.000 0.287 202 A C 1.969 179.618 177.584 0.108 0.000 1.484 202 A CA 1.550 53.642 52.037 0.093 0.000 0.813 202 A CB -1.948 17.105 19.000 0.088 0.000 1.009 202 A HN 2.504 nan 8.150 nan 0.000 0.545 203 G N -2.764 106.075 108.800 0.064 0.000 2.176 203 G HA2 -0.230 3.725 3.960 -0.008 0.000 0.253 203 G HA3 -0.230 3.725 3.960 -0.008 0.000 0.253 203 G C 0.187 175.083 174.900 -0.006 0.000 0.979 203 G CA 0.362 45.483 45.100 0.036 0.000 0.641 203 G HN 1.435 nan 8.290 nan 0.000 0.530 204 I N 1.120 121.672 120.570 -0.030 0.000 2.472 204 I HA 0.401 4.566 4.170 -0.008 0.000 0.290 204 I C 0.302 176.280 176.117 -0.231 0.000 1.016 204 I CA -0.300 60.886 61.300 -0.191 0.000 1.348 204 I CB 1.107 38.913 38.000 -0.324 0.000 1.417 204 I HN 0.095 nan 8.210 nan 0.000 0.521 205 E N 5.148 125.169 120.200 -0.299 0.000 2.149 205 E HA 0.206 4.552 4.350 -0.008 0.000 0.255 205 E C -1.609 174.851 176.600 -0.234 0.000 0.888 205 E CA -0.501 55.789 56.400 -0.184 0.000 0.742 205 E CB 0.833 30.474 29.700 -0.099 0.000 1.164 205 E HN 0.373 nan 8.360 nan 0.000 0.422 206 W N 2.425 123.720 121.300 -0.009 0.000 2.266 206 W HA 0.160 4.815 4.660 -0.008 0.000 0.317 206 W C 0.641 177.153 176.519 -0.012 0.000 1.310 206 W CA -0.211 57.126 57.345 -0.014 0.000 1.207 206 W CB 0.695 30.144 29.460 -0.018 0.000 1.199 206 W HN 0.290 nan 8.180 nan 0.000 0.544 207 Q N 2.017 121.955 119.800 0.230 0.000 2.387 207 Q HA 0.384 4.720 4.340 -0.008 0.000 0.273 207 Q C -0.444 175.638 176.000 0.137 0.000 1.089 207 Q CA -1.416 54.468 55.803 0.134 0.000 0.824 207 Q CB 2.450 31.229 28.738 0.069 0.000 1.367 207 Q HN 0.374 nan 8.270 nan 0.000 0.443 208 R N 1.914 122.471 120.500 0.094 0.000 2.210 208 R HA 0.040 4.375 4.340 -0.008 0.000 0.338 208 R C 0.576 176.917 176.300 0.069 0.000 1.062 208 R CA 0.251 56.398 56.100 0.078 0.000 0.902 208 R CB 0.555 30.893 30.300 0.064 0.000 1.050 208 R HN 0.779 nan 8.270 nan 0.000 0.461 209 E N 2.279 122.520 120.200 0.068 0.000 2.140 209 E HA -0.018 4.327 4.350 -0.008 0.000 0.191 209 E C -0.448 176.197 176.600 0.075 0.000 0.973 209 E CA 1.004 57.445 56.400 0.068 0.000 0.829 209 E CB 0.491 30.229 29.700 0.065 0.000 0.781 209 E HN 0.743 nan 8.360 nan 0.000 0.466 210 T N -1.313 113.290 114.554 0.082 0.000 2.923 210 T HA 0.587 4.933 4.350 -0.008 0.000 0.311 210 T C -0.695 174.071 174.700 0.110 0.000 1.183 210 T CA -0.819 61.339 62.100 0.098 0.000 1.020 210 T CB 1.900 70.842 68.868 0.124 0.000 1.165 210 T HN 0.099 nan 8.240 nan 0.000 0.482 211 I N 2.233 122.864 120.570 0.102 0.000 2.607 211 I HA 0.527 4.693 4.170 -0.008 0.000 0.290 211 I C 0.013 176.192 176.117 0.104 0.000 1.129 211 I CA -0.650 60.719 61.300 0.114 0.000 1.042 211 I CB 2.143 40.187 38.000 0.073 0.000 1.242 211 I HN 1.052 nan 8.210 nan 0.000 0.421 212 S N 4.544 120.329 115.700 0.142 0.000 2.585 212 S HA 0.335 4.800 4.470 -0.008 0.000 0.273 212 S C -0.218 174.404 174.600 0.037 0.000 1.339 212 S CA -0.544 57.724 58.200 0.114 0.000 1.028 212 S CB 1.139 64.426 63.200 0.146 0.000 0.906 212 S HN 0.589 nan 8.310 nan 0.000 0.528 213 E N 1.245 121.451 120.200 0.010 0.000 2.338 213 E HA 0.191 4.537 4.350 -0.008 0.000 0.272 213 E C 0.075 176.627 176.600 -0.081 0.000 1.029 213 E CA -0.144 56.230 56.400 -0.044 0.000 0.872 213 E CB 0.471 30.151 29.700 -0.033 0.000 1.015 213 E HN 0.731 nan 8.360 nan 0.000 0.417 214 E N 2.387 122.510 120.200 -0.129 0.000 2.481 214 E HA 0.057 4.403 4.350 -0.008 0.000 0.263 214 E C -0.659 175.790 176.600 -0.251 0.000 0.992 214 E CA 0.332 56.628 56.400 -0.174 0.000 0.938 214 E CB 0.397 29.991 29.700 -0.178 0.000 0.933 214 E HN 0.350 nan 8.360 nan 0.000 0.453 215 L N 2.055 122.993 121.223 -0.475 0.000 2.389 215 L HA 0.543 4.879 4.340 -0.008 0.000 0.249 215 L C -0.272 176.111 176.870 -0.812 0.000 1.083 215 L CA -0.741 53.726 54.840 -0.622 0.000 0.876 215 L CB 2.415 44.070 42.059 -0.673 0.000 1.489 215 L HN 0.549 nan 8.230 nan 0.000 0.412 216 T N -1.097 113.101 114.554 -0.593 0.000 2.896 216 T HA 0.564 4.909 4.350 -0.008 0.000 0.297 216 T C -1.412 173.208 174.700 -0.133 0.000 1.108 216 T CA -0.372 61.516 62.100 -0.353 0.000 1.004 216 T CB 1.880 70.639 68.868 -0.183 0.000 1.159 216 T HN 0.550 nan 8.240 nan 0.000 0.499 217 S N 0.992 116.701 115.700 0.014 0.000 2.537 217 S HA 0.687 5.152 4.470 -0.008 0.000 0.301 217 S C 0.594 175.226 174.600 0.052 0.000 1.092 217 S CA -0.203 58.061 58.200 0.105 0.000 1.048 217 S CB 1.088 64.392 63.200 0.174 0.000 1.053 217 S HN 1.041 nan 8.310 nan 0.000 0.501 218 A N 3.561 126.415 122.820 0.056 0.000 2.579 218 A HA 0.185 4.501 4.320 -0.008 0.000 0.273 218 A C 1.223 178.833 177.584 0.042 0.000 1.363 218 A CA 0.084 52.143 52.037 0.038 0.000 0.953 218 A CB -1.227 17.794 19.000 0.034 0.000 1.034 218 A HN 0.946 nan 8.150 nan 0.000 0.536 219 N N -0.587 118.144 118.700 0.051 0.000 2.166 219 N HA 0.129 4.865 4.740 -0.008 0.000 0.186 219 N C 1.188 176.723 175.510 0.041 0.000 1.019 219 N CA 2.197 55.278 53.050 0.053 0.000 0.856 219 N CB -0.155 38.372 38.487 0.067 0.000 0.993 219 N HN 0.550 nan 8.380 nan 0.000 0.426 220 G N -1.768 107.051 108.800 0.033 0.000 3.110 220 G HA2 -0.159 3.796 3.960 -0.008 0.000 0.205 220 G HA3 -0.159 3.796 3.960 -0.008 0.000 0.205 220 G C 0.451 175.364 174.900 0.022 0.000 1.019 220 G CA -0.031 45.085 45.100 0.026 0.000 0.826 220 G HN 0.258 nan 8.290 nan 0.000 0.481 221 N N 1.319 120.033 118.700 0.024 0.000 2.184 221 N HA 0.194 4.929 4.740 -0.008 0.000 0.206 221 N C 0.118 175.631 175.510 0.006 0.000 1.151 221 N CA 0.267 53.327 53.050 0.016 0.000 0.878 221 N CB 0.390 38.890 38.487 0.022 0.000 1.014 221 N HN 0.288 nan 8.380 nan 0.000 0.512 222 E N 0.634 120.838 120.200 0.006 0.000 2.197 222 E HA -0.155 4.191 4.350 -0.008 0.000 0.184 222 E C -0.751 175.838 176.600 -0.019 0.000 1.439 222 E CA 0.760 57.156 56.400 -0.006 0.000 0.688 222 E CB -2.088 27.605 29.700 -0.013 0.000 1.090 222 E HN 0.176 nan 8.360 nan 0.000 0.341 223 T N 1.415 115.962 114.554 -0.011 0.000 2.771 223 T HA 0.362 4.707 4.350 -0.008 0.000 0.291 223 T C 0.605 175.278 174.700 -0.044 0.000 0.954 223 T CA -0.712 61.371 62.100 -0.028 0.000 1.045 223 T CB 0.968 69.820 68.868 -0.027 0.000 0.917 223 T HN -0.028 nan 8.240 nan 0.000 0.484 224 K N 2.671 123.026 120.400 -0.075 0.000 2.185 224 K HA 0.486 4.801 4.320 -0.008 0.000 0.271 224 K C -0.368 176.184 176.600 -0.081 0.000 1.013 224 K CA -0.567 55.641 56.287 -0.131 0.000 0.943 224 K CB 0.347 32.778 32.500 -0.116 0.000 0.998 224 K HN 0.675 nan 8.250 nan 0.000 0.468 225 Y N -0.209 120.017 120.300 -0.124 0.000 2.669 225 Y HA 0.733 5.278 4.550 -0.008 0.000 0.335 225 Y C -1.234 174.561 175.900 -0.175 0.000 1.116 225 Y CA -1.936 56.026 58.100 -0.231 0.000 1.081 225 Y CB 0.968 39.232 38.460 -0.328 0.000 1.297 225 Y HN 0.659 nan 8.280 nan 0.000 0.484 226 Y N -1.246 119.075 120.300 0.035 0.000 2.641 226 Y HA 0.757 5.302 4.550 -0.008 0.000 0.333 226 Y C -2.517 173.194 175.900 -0.315 0.000 1.174 226 Y CA -2.427 55.581 58.100 -0.154 0.000 1.057 226 Y CB 0.839 39.223 38.460 -0.126 0.000 1.322 226 Y HN 0.497 nan 8.280 nan 0.000 0.457 227 F N 1.200 121.190 119.950 0.067 0.000 2.507 227 F HA 0.723 5.245 4.527 -0.008 0.000 0.327 227 F C -0.182 175.638 175.800 0.034 0.000 1.068 227 F CA -1.180 56.722 58.000 -0.163 0.000 0.965 227 F CB 2.126 40.842 39.000 -0.473 0.000 1.192 227 F HN 0.667 nan 8.300 nan 0.000 0.476 228 E N 0.374 120.712 120.200 0.230 0.000 2.390 228 E HA 0.419 4.765 4.350 -0.008 0.000 0.277 228 E C -1.798 174.879 176.600 0.128 0.000 0.939 228 E CA -1.277 55.234 56.400 0.186 0.000 0.769 228 E CB 3.006 32.815 29.700 0.180 0.000 1.251 228 E HN 0.507 nan 8.360 nan 0.000 0.450 229 K N 2.924 123.366 120.400 0.070 0.000 2.394 229 K HA 0.385 4.700 4.320 -0.008 0.000 0.260 229 K C -1.307 175.265 176.600 -0.046 0.000 0.967 229 K CA -0.613 55.621 56.287 -0.088 0.000 0.855 229 K CB 0.932 33.361 32.500 -0.118 0.000 1.101 229 K HN 0.553 nan 8.250 nan 0.000 0.433 230 L N 6.785 127.969 121.223 -0.065 0.000 2.296 230 L HA 0.536 4.872 4.340 -0.008 0.000 0.286 230 L C 0.028 177.012 176.870 0.190 0.000 1.023 230 L CA -1.012 53.865 54.840 0.062 0.000 0.812 230 L CB 1.148 43.209 42.059 0.003 0.000 1.223 230 L HN 0.574 nan 8.230 nan 0.000 0.421 231 I N 1.091 121.827 120.570 0.277 0.000 2.693 231 I HA 0.706 4.871 4.170 -0.008 0.000 0.303 231 I C -2.590 173.620 176.117 0.155 0.000 1.025 231 I CA -2.541 58.910 61.300 0.250 0.000 1.086 231 I CB 2.061 40.108 38.000 0.079 0.000 1.268 231 I HN 0.270 nan 8.210 nan 0.000 0.440 232 P HA 0.223 nan 4.420 nan 0.000 0.277 232 P C -1.128 175.993 177.300 -0.299 0.000 1.240 232 P CA -0.468 62.247 63.100 -0.643 0.000 0.798 232 P CB 0.943 32.175 31.700 -0.780 0.000 0.979 233 R N 2.154 122.485 120.500 -0.282 0.000 2.265 233 R HA 0.160 4.495 4.340 -0.008 0.000 0.314 233 R C 0.445 176.641 176.300 -0.172 0.000 1.053 233 R CA -0.357 55.643 56.100 -0.167 0.000 0.931 233 R CB -0.019 30.205 30.300 -0.128 0.000 1.024 233 R HN 0.350 nan 8.270 nan 0.000 0.457 234 N N 4.207 122.811 118.700 -0.159 0.000 3.034 234 N HA 0.034 4.769 4.740 -0.008 0.000 0.265 234 N C 0.559 175.990 175.510 -0.131 0.000 1.166 234 N CA -0.050 52.879 53.050 -0.202 0.000 1.081 234 N CB 0.365 38.657 38.487 -0.324 0.000 1.378 234 N HN 0.524 nan 8.380 nan 0.000 0.520 235 R N 1.217 121.661 120.500 -0.094 0.000 2.119 235 R HA -0.178 4.157 4.340 -0.008 0.000 0.246 235 R C 1.035 177.320 176.300 -0.025 0.000 1.146 235 R CA 1.480 57.546 56.100 -0.056 0.000 0.962 235 R CB 0.009 30.275 30.300 -0.058 0.000 0.863 235 R HN 0.641 nan 8.270 nan 0.000 0.442 236 E N 0.072 120.277 120.200 0.008 0.000 2.051 236 E HA -0.205 4.141 4.350 -0.008 0.000 0.192 236 E C 1.984 178.723 176.600 0.232 0.000 0.991 236 E CA 1.113 57.569 56.400 0.093 0.000 0.799 236 E CB -0.088 29.795 29.700 0.305 0.000 0.748 236 E HN 0.427 nan 8.360 nan 0.000 0.449 237 E N 0.980 121.313 120.200 0.221 0.000 2.106 237 E HA -0.198 4.148 4.350 -0.008 0.000 0.192 237 E C 1.779 178.511 176.600 0.219 0.000 0.984 237 E CA 0.855 57.422 56.400 0.278 0.000 0.806 237 E CB 0.153 29.914 29.700 0.101 0.000 0.750 237 E HN 0.235 nan 8.360 nan 0.000 0.458 238 E N 0.512 120.766 120.200 0.091 0.000 2.118 238 E HA -0.287 4.058 4.350 -0.008 0.000 0.195 238 E C 2.191 178.825 176.600 0.058 0.000 0.992 238 E CA 1.321 57.755 56.400 0.057 0.000 0.804 238 E CB -0.186 29.517 29.700 0.004 0.000 0.741 238 E HN 0.438 nan 8.360 nan 0.000 0.458 239 Q N 0.669 120.502 119.800 0.056 0.000 2.061 239 Q HA -0.260 4.075 4.340 -0.008 0.000 0.204 239 Q C 2.172 178.211 176.000 0.064 0.000 0.984 239 Q CA 1.642 57.456 55.803 0.018 0.000 0.846 239 Q CB -0.430 28.278 28.738 -0.051 0.000 0.902 239 Q HN 0.431 nan 8.270 nan 0.000 0.421 240 Y N 1.158 121.484 120.300 0.044 0.000 2.145 240 Y HA -0.185 4.360 4.550 -0.008 0.000 0.286 240 Y C 1.935 177.854 175.900 0.031 0.000 1.145 240 Y CA 1.761 59.903 58.100 0.070 0.000 1.148 240 Y CB -0.296 38.272 38.460 0.180 0.000 0.981 240 Y HN 0.109 nan 8.280 nan 0.000 0.507 241 L N -0.523 120.718 121.223 0.031 0.000 2.079 241 L HA -0.247 4.089 4.340 -0.008 0.000 0.210 241 L C 2.559 179.346 176.870 -0.139 0.000 1.081 241 L CA 1.507 56.287 54.840 -0.101 0.000 0.752 241 L CB -0.763 41.323 42.059 0.045 0.000 0.896 241 L HN 0.203 nan 8.230 nan 0.000 0.433 242 S N -0.028 115.621 115.700 -0.084 0.000 2.368 242 S HA -0.168 4.297 4.470 -0.008 0.000 0.225 242 S C 1.841 176.372 174.600 -0.114 0.000 1.030 242 S CA 1.124 59.275 58.200 -0.082 0.000 0.999 242 S CB -0.296 62.871 63.200 -0.056 0.000 0.844 242 S HN 0.212 nan 8.310 nan 0.000 0.459 243 L N 2.128 123.263 121.223 -0.148 0.000 1.989 243 L HA -0.059 4.276 4.340 -0.008 0.000 0.211 243 L C 2.257 179.008 176.870 -0.197 0.000 1.071 243 L CA 1.640 56.382 54.840 -0.163 0.000 0.749 243 L CB -1.115 40.843 42.059 -0.169 0.000 0.890 243 L HN 0.148 nan 8.230 nan 0.000 0.431 244 V N -0.106 119.623 119.914 -0.309 0.000 2.282 244 V HA -0.354 3.762 4.120 -0.008 0.000 0.249 244 V C 2.391 178.394 176.094 -0.153 0.000 1.057 244 V CA 2.116 64.253 62.300 -0.270 0.000 1.032 244 V CB -0.860 30.741 31.823 -0.369 0.000 0.645 244 V HN 0.504 nan 8.190 nan 0.000 0.447 245 D N -0.390 119.930 120.400 -0.133 0.000 2.097 245 D HA -0.195 4.440 4.640 -0.008 0.000 0.195 245 D C 2.399 178.658 176.300 -0.067 0.000 0.989 245 D CA 1.422 55.372 54.000 -0.083 0.000 0.827 245 D CB -0.166 40.592 40.800 -0.070 0.000 0.966 245 D HN 0.232 nan 8.370 nan 0.000 0.456 246 R N -0.301 120.155 120.500 -0.073 0.000 2.081 246 R HA -0.079 4.257 4.340 -0.008 0.000 0.235 246 R C 2.465 178.735 176.300 -0.050 0.000 1.131 246 R CA 1.112 57.178 56.100 -0.057 0.000 0.960 246 R CB -0.263 30.001 30.300 -0.059 0.000 0.856 246 R HN 0.301 nan 8.270 nan 0.000 0.436 247 I N 0.387 120.920 120.570 -0.062 0.000 2.208 247 I HA -0.316 3.849 4.170 -0.008 0.000 0.245 247 I C 2.124 178.218 176.117 -0.038 0.000 1.097 247 I CA 1.366 62.637 61.300 -0.049 0.000 1.363 247 I CB -0.212 37.751 38.000 -0.061 0.000 1.051 247 I HN 0.205 nan 8.210 nan 0.000 0.413 248 I N 0.268 120.813 120.570 -0.041 0.000 2.252 248 I HA -0.247 3.919 4.170 -0.008 0.000 0.245 248 I C 2.522 178.626 176.117 -0.023 0.000 1.102 248 I CA 1.439 62.722 61.300 -0.028 0.000 1.385 248 I CB -0.332 37.653 38.000 -0.026 0.000 1.064 248 I HN 0.143 nan 8.210 nan 0.000 0.414 249 R N 0.056 120.540 120.500 -0.026 0.000 2.210 249 R HA 0.031 4.367 4.340 -0.008 0.000 0.203 249 R C 1.417 177.706 176.300 -0.018 0.000 1.010 249 R CA 0.719 56.807 56.100 -0.020 0.000 1.008 249 R CB 0.173 30.459 30.300 -0.022 0.000 0.923 249 R HN 0.387 nan 8.270 nan 0.000 0.469 250 E N -0.801 119.387 120.200 -0.019 0.000 2.535 250 E HA 0.114 4.460 4.350 -0.008 0.000 0.216 250 E C 0.418 177.011 176.600 -0.011 0.000 0.845 250 E CA -0.208 56.184 56.400 -0.014 0.000 1.306 250 E CB 0.975 30.666 29.700 -0.015 0.000 1.291 250 E HN 0.204 nan 8.360 nan 0.000 0.635 251 G N 1.281 110.072 108.800 -0.015 0.000 2.559 251 G HA2 0.013 3.969 3.960 -0.008 0.000 0.235 251 G HA3 0.013 3.969 3.960 -0.008 0.000 0.235 251 G C -0.287 174.605 174.900 -0.013 0.000 1.266 251 G CA -0.227 44.866 45.100 -0.011 0.000 0.847 251 G HN 0.059 nan 8.290 nan 0.000 0.583 252 N N -0.856 117.837 118.700 -0.012 0.000 2.524 252 N HA 0.351 5.086 4.740 -0.008 0.000 0.283 252 N C -0.084 175.404 175.510 -0.037 0.000 1.142 252 N CA -0.685 52.355 53.050 -0.017 0.000 0.984 252 N CB 1.902 40.383 38.487 -0.011 0.000 1.155 252 N HN 0.272 nan 8.380 nan 0.000 0.467 253 V N 1.866 121.758 119.914 -0.037 0.000 2.485 253 V HA 0.080 4.196 4.120 -0.008 0.000 0.287 253 V C 0.581 176.627 176.094 -0.080 0.000 1.022 253 V CA 0.383 62.639 62.300 -0.074 0.000 1.067 253 V CB -0.380 31.420 31.823 -0.039 0.000 0.967 253 V HN 0.602 nan 8.190 nan 0.000 0.479 254 K N 2.791 123.085 120.400 -0.177 0.000 2.349 254 K HA 0.692 5.008 4.320 -0.008 0.000 0.243 254 K C -1.390 174.991 176.600 -0.364 0.000 1.058 254 K CA -1.178 55.029 56.287 -0.134 0.000 0.871 254 K CB 2.140 34.573 32.500 -0.113 0.000 1.337 254 K HN 0.724 nan 8.250 nan 0.000 0.469 255 H N 0.339 119.379 119.070 -0.049 0.000 2.759 255 H HA 0.099 4.650 4.556 -0.008 0.000 0.354 255 H C -0.784 174.526 175.328 -0.029 0.000 1.074 255 H CA -0.844 55.190 56.048 -0.024 0.000 1.226 255 H CB 1.349 31.110 29.762 -0.002 0.000 1.648 255 H HN 0.604 nan 8.280 nan 0.000 0.529 256 D N 1.628 122.079 120.400 0.085 0.000 2.393 256 D HA -0.004 4.631 4.640 -0.008 0.000 0.246 256 D C 1.326 177.686 176.300 0.101 0.000 1.275 256 D CA -0.573 53.468 54.000 0.069 0.000 0.979 256 D CB 1.038 41.933 40.800 0.158 0.000 1.101 256 D HN 0.564 nan 8.370 nan 0.000 0.505 257 R N -1.157 119.398 120.500 0.092 0.000 2.117 257 R HA -0.179 4.156 4.340 -0.008 0.000 0.243 257 R C 2.156 178.507 176.300 0.084 0.000 1.143 257 R CA 2.412 58.564 56.100 0.087 0.000 0.968 257 R CB -0.461 29.899 30.300 0.100 0.000 0.863 257 R HN 0.762 nan 8.270 nan 0.000 0.444 258 T N -4.805 109.808 114.554 0.098 0.000 2.978 258 T HA 0.166 4.511 4.350 -0.008 0.000 0.262 258 T C 1.360 176.104 174.700 0.074 0.000 1.063 258 T CA 1.022 63.170 62.100 0.080 0.000 1.140 258 T CB 0.662 69.573 68.868 0.073 0.000 0.886 258 T HN 0.400 nan 8.240 nan 0.000 0.470 259 G N 0.272 109.136 108.800 0.105 0.000 2.425 259 G HA2 -0.039 3.917 3.960 -0.008 0.000 0.177 259 G HA3 -0.039 3.917 3.960 -0.008 0.000 0.177 259 G C -0.105 174.915 174.900 0.199 0.000 0.999 259 G CA -0.214 44.954 45.100 0.114 0.000 0.723 259 G HN 0.650 nan 8.290 nan 0.000 0.491 260 V N 1.869 121.896 119.914 0.188 0.000 2.555 260 V HA 0.610 4.725 4.120 -0.008 0.000 0.286 260 V C 1.424 177.634 176.094 0.193 0.000 1.044 260 V CA 0.044 62.461 62.300 0.195 0.000 1.026 260 V CB 1.165 33.075 31.823 0.145 0.000 0.981 260 V HN 0.636 nan 8.190 nan 0.000 0.480 261 G N 3.325 112.169 108.800 0.074 0.000 2.406 261 G HA2 0.492 4.447 3.960 -0.008 0.000 0.251 261 G HA3 0.492 4.447 3.960 -0.008 0.000 0.251 261 G C 0.152 174.960 174.900 -0.152 0.000 1.271 261 G CA 0.316 45.249 45.100 -0.278 0.000 0.859 261 G HN 0.959 nan 8.290 nan 0.000 0.540 262 T N -0.654 113.717 114.554 -0.304 0.000 2.916 262 T HA 0.685 5.030 4.350 -0.008 0.000 0.292 262 T C -0.392 174.190 174.700 -0.196 0.000 1.064 262 T CA -0.942 60.989 62.100 -0.283 0.000 1.011 262 T CB 1.603 70.212 68.868 -0.432 0.000 1.152 262 T HN 0.315 nan 8.240 nan 0.000 0.510 263 L N 2.421 123.572 121.223 -0.120 0.000 2.296 263 L HA 0.712 5.048 4.340 -0.008 0.000 0.286 263 L C 0.223 177.070 176.870 -0.038 0.000 1.023 263 L CA -0.719 54.077 54.840 -0.073 0.000 0.812 263 L CB 1.843 43.874 42.059 -0.046 0.000 1.223 263 L HN 1.002 nan 8.230 nan 0.000 0.421 264 S N 3.515 119.200 115.700 -0.024 0.000 2.549 264 S HA 0.838 5.304 4.470 -0.008 0.000 0.280 264 S C -0.794 173.825 174.600 0.032 0.000 1.109 264 S CA -0.761 57.451 58.200 0.021 0.000 0.905 264 S CB 2.059 65.277 63.200 0.030 0.000 1.081 264 S HN 0.467 nan 8.310 nan 0.000 0.477 265 I N -0.254 120.347 120.570 0.051 0.000 2.797 265 I HA 0.853 5.018 4.170 -0.008 0.000 0.307 265 I C -1.157 175.053 176.117 0.155 0.000 1.033 265 I CA -1.088 60.255 61.300 0.072 0.000 1.071 265 I CB 1.327 39.339 38.000 0.020 0.000 1.255 265 I HN 0.626 nan 8.210 nan 0.000 0.445 266 F N 3.719 123.658 119.950 -0.018 0.000 2.449 266 F HA 0.784 5.306 4.527 -0.008 0.000 0.342 266 F C 0.390 176.181 175.800 -0.017 0.000 1.127 266 F CA -0.273 57.720 58.000 -0.012 0.000 0.975 266 F CB 0.930 39.927 39.000 -0.005 0.000 1.146 266 F HN 1.065 nan 8.300 nan 0.000 0.444 267 G N 4.156 112.613 108.800 -0.572 0.000 3.399 267 G HA2 0.494 4.449 3.960 -0.008 0.000 0.685 267 G HA3 0.494 4.449 3.960 -0.008 0.000 0.685 267 G C -1.245 173.507 174.900 -0.246 0.000 0.952 267 G CA -0.317 44.479 45.100 -0.507 0.000 0.793 267 G HN 1.777 nan 8.290 nan 0.000 0.492 268 A N 2.357 125.053 122.820 -0.207 0.000 2.601 268 A HA 0.962 5.277 4.320 -0.008 0.000 0.291 268 A C -0.560 176.947 177.584 -0.130 0.000 1.075 268 A CA 0.083 52.032 52.037 -0.146 0.000 0.671 268 A CB 1.882 20.803 19.000 -0.131 0.000 1.277 268 A HN 1.502 nan 8.150 nan 0.000 0.417 269 Q N 0.318 120.053 119.800 -0.108 0.000 2.281 269 Q HA 0.663 4.998 4.340 -0.008 0.000 0.263 269 Q C -1.715 174.224 176.000 -0.101 0.000 0.989 269 Q CA -0.252 55.499 55.803 -0.087 0.000 0.852 269 Q CB 1.872 30.561 28.738 -0.082 0.000 1.337 269 Q HN 0.817 nan 8.270 nan 0.000 0.418 270 M N 2.046 121.590 119.600 -0.094 0.000 2.644 270 M HA 0.650 5.126 4.480 -0.008 0.000 0.304 270 M C -0.879 175.256 176.300 -0.275 0.000 1.215 270 M CA -0.717 54.456 55.300 -0.211 0.000 0.871 270 M CB 2.629 35.109 32.600 -0.200 0.000 1.740 270 M HN 0.389 nan 8.290 nan 0.000 0.464 271 R N 0.668 120.858 120.500 -0.516 0.000 2.807 271 R HA 0.823 5.158 4.340 -0.008 0.000 0.276 271 R C -1.785 174.086 176.300 -0.715 0.000 0.979 271 R CA -0.596 55.270 56.100 -0.391 0.000 0.928 271 R CB 2.118 32.300 30.300 -0.197 0.000 1.191 271 R HN 0.472 nan 8.270 nan 0.000 0.471 272 F N -0.486 119.473 119.950 0.015 0.000 2.581 272 F HA 0.304 4.827 4.527 -0.007 0.000 0.311 272 F C 0.143 175.941 175.800 -0.003 0.000 1.113 272 F CA -0.786 57.220 58.000 0.010 0.000 0.935 272 F CB 2.411 41.381 39.000 -0.050 0.000 1.232 272 F HN 0.310 nan 8.300 nan 0.000 0.445 273 S N 2.151 117.955 115.700 0.174 0.000 2.489 273 S HA 0.424 4.889 4.470 -0.008 0.000 0.277 273 S C 0.279 174.920 174.600 0.068 0.000 1.230 273 S CA -0.399 57.860 58.200 0.098 0.000 1.053 273 S CB 0.472 63.712 63.200 0.067 0.000 0.955 273 S HN 0.573 nan 8.310 nan 0.000 0.488 274 L N 4.550 125.809 121.223 0.060 0.000 2.640 274 L HA 0.365 4.701 4.340 -0.008 0.000 0.230 274 L C 1.090 177.996 176.870 0.060 0.000 1.123 274 L CA 0.429 55.292 54.840 0.039 0.000 0.900 274 L CB -0.547 41.547 42.059 0.059 0.000 1.146 274 L HN 0.601 nan 8.230 nan 0.000 0.484 275 R N 1.639 122.181 120.500 0.069 0.000 2.502 275 R HA 0.002 4.337 4.340 -0.008 0.000 0.292 275 R C 0.251 176.633 176.300 0.138 0.000 0.998 275 R CA 0.140 56.291 56.100 0.085 0.000 1.056 275 R CB -0.123 30.215 30.300 0.062 0.000 0.939 275 R HN 0.211 nan 8.270 nan 0.000 0.411 276 N N 2.641 121.423 118.700 0.137 0.000 2.815 276 N HA -0.193 4.543 4.740 -0.008 0.000 0.249 276 N C -0.979 174.685 175.510 0.257 0.000 1.114 276 N CA 0.792 53.947 53.050 0.176 0.000 0.717 276 N CB -1.042 37.559 38.487 0.191 0.000 1.074 276 N HN 0.742 nan 8.380 nan 0.000 0.555 277 N N -0.773 118.043 118.700 0.192 0.000 2.727 277 N HA -0.226 4.510 4.740 -0.008 0.000 0.249 277 N C 0.126 175.746 175.510 0.185 0.000 1.048 277 N CA 1.008 54.171 53.050 0.188 0.000 0.714 277 N CB -0.933 37.690 38.487 0.227 0.000 0.959 277 N HN 0.598 nan 8.380 nan 0.000 0.544 278 R N 0.643 121.169 120.500 0.044 0.000 2.401 278 R HA 0.263 4.599 4.340 -0.008 0.000 0.299 278 R C -0.316 175.810 176.300 -0.291 0.000 1.064 278 R CA -0.347 55.537 56.100 -0.360 0.000 1.000 278 R CB 0.317 30.470 30.300 -0.246 0.000 0.973 278 R HN 0.174 nan 8.270 nan 0.000 0.438 279 L N 8.236 129.210 121.223 -0.416 0.000 2.295 279 L HA 0.414 4.749 4.340 -0.008 0.000 0.281 279 L C -2.144 174.348 176.870 -0.630 0.000 1.018 279 L CA -2.400 52.177 54.840 -0.438 0.000 0.841 279 L CB 1.747 43.508 42.059 -0.496 0.000 1.218 279 L HN 0.572 nan 8.230 nan 0.000 0.424 280 P HA 0.046 nan 4.420 nan 0.000 0.232 280 P C -0.485 176.104 177.300 -1.185 0.000 1.738 280 P CA 0.087 62.245 63.100 -1.569 0.000 0.948 280 P CB -0.355 30.602 31.700 -1.239 0.000 1.943 281 L N 1.874 122.605 121.223 -0.819 0.000 2.325 281 L HA 0.126 4.462 4.340 -0.008 0.000 0.284 281 L C 0.862 177.678 176.870 -0.089 0.000 1.089 281 L CA -1.007 53.511 54.840 -0.536 0.000 0.836 281 L CB 0.209 41.709 42.059 -0.932 0.000 1.184 281 L HN 0.023 nan 8.230 nan 0.000 0.444 282 L N 3.575 124.788 121.223 -0.017 0.000 2.543 282 L HA -0.063 4.272 4.340 -0.008 0.000 0.285 282 L C 1.553 178.637 176.870 0.356 0.000 1.236 282 L CA 0.914 55.880 54.840 0.209 0.000 0.871 282 L CB 0.919 42.932 42.059 -0.076 0.000 1.121 282 L HN 0.734 nan 8.230 nan 0.000 0.501 283 T N -3.999 110.755 114.554 0.333 0.000 2.990 283 T HA -0.029 4.317 4.350 -0.008 0.000 0.249 283 T C 1.326 176.206 174.700 0.300 0.000 1.039 283 T CA 0.491 62.773 62.100 0.303 0.000 1.036 283 T CB -0.210 68.802 68.868 0.239 0.000 0.994 283 T HN 0.654 nan 8.240 nan 0.000 0.489 284 T N -0.937 113.742 114.554 0.208 0.000 3.118 284 T HA 0.237 4.583 4.350 -0.008 0.000 0.260 284 T C 0.475 175.225 174.700 0.083 0.000 1.139 284 T CA 0.051 62.195 62.100 0.073 0.000 1.085 284 T CB -0.151 68.696 68.868 -0.035 0.000 0.934 284 T HN 0.440 nan 8.240 nan 0.000 0.518 285 K N 1.106 121.587 120.400 0.137 0.000 2.571 285 K HA 0.295 4.611 4.320 -0.008 0.000 0.252 285 K C -0.972 175.724 176.600 0.161 0.000 0.956 285 K CA -0.770 55.591 56.287 0.124 0.000 0.822 285 K CB 2.122 34.679 32.500 0.096 0.000 1.286 285 K HN 0.202 nan 8.250 nan 0.000 0.439 286 R N 3.384 123.973 120.500 0.149 0.000 2.458 286 R HA 0.099 4.435 4.340 -0.008 0.000 0.303 286 R C -0.820 175.635 176.300 0.258 0.000 1.013 286 R CA -0.166 56.057 56.100 0.204 0.000 1.026 286 R CB 0.391 30.764 30.300 0.122 0.000 0.948 286 R HN 0.219 nan 8.270 nan 0.000 0.417 287 V N 6.096 126.215 119.914 0.341 0.000 2.607 287 V HA 0.081 4.197 4.120 -0.008 0.000 0.289 287 V C 0.241 176.535 176.094 0.334 0.000 1.053 287 V CA -0.464 61.989 62.300 0.256 0.000 0.996 287 V CB 0.961 32.843 31.823 0.099 0.000 0.995 287 V HN 0.678 nan 8.190 nan 0.000 0.476 288 F N 5.557 125.583 119.950 0.127 0.000 2.661 288 F HA 0.124 4.649 4.527 -0.004 0.000 0.356 288 F C 1.020 176.818 175.800 -0.003 0.000 1.244 288 F CA -1.146 56.918 58.000 0.107 0.000 1.290 288 F CB -0.462 38.630 39.000 0.153 0.000 1.677 288 F HN 0.802 nan 8.300 nan 0.000 0.649 289 W N 4.497 125.695 121.300 -0.171 0.000 2.304 289 W HA -0.299 4.356 4.660 -0.008 0.000 0.315 289 W C 1.843 178.056 176.519 -0.509 0.000 1.233 289 W CA 1.958 59.088 57.345 -0.359 0.000 1.261 289 W CB -0.240 29.074 29.460 -0.243 0.000 1.150 289 W HN 0.482 nan 8.180 nan 0.000 0.494 290 R N 0.366 120.446 120.500 -0.699 0.000 2.105 290 R HA -0.139 4.197 4.340 -0.008 0.000 0.239 290 R C 2.582 178.260 176.300 -1.036 0.000 1.135 290 R CA 2.083 57.705 56.100 -0.796 0.000 0.967 290 R CB -0.999 29.085 30.300 -0.360 0.000 0.861 290 R HN 0.282 nan 8.270 nan 0.000 0.442 291 G N -0.293 107.522 108.800 -1.641 0.000 2.402 291 G HA2 -0.192 3.764 3.960 -0.008 0.000 0.216 291 G HA3 -0.192 3.764 3.960 -0.008 0.000 0.216 291 G C 1.396 175.940 174.900 -0.593 0.000 1.162 291 G CA 0.799 45.292 45.100 -1.012 0.000 0.777 291 G HN 0.209 nan 8.290 nan 0.000 0.539 292 V N 0.270 119.607 119.914 -0.961 0.000 2.324 292 V HA -0.255 3.860 4.120 -0.008 0.000 0.250 292 V C 2.930 178.521 176.094 -0.839 0.000 1.060 292 V CA 1.844 63.502 62.300 -1.069 0.000 1.042 292 V CB -0.879 30.221 31.823 -1.205 0.000 0.650 292 V HN 0.562 nan 8.190 nan 0.000 0.450 293 C N -0.101 118.519 119.300 -1.132 0.000 2.476 293 C HA -0.074 4.381 4.460 -0.008 0.000 0.278 293 C C 2.841 177.533 174.990 -0.496 0.000 1.274 293 C CA 0.848 59.295 59.018 -0.953 0.000 1.713 293 C CB -0.918 26.094 27.740 -1.214 0.000 2.039 293 C HN 0.590 nan 8.230 nan 0.000 0.484 294 E N 0.460 120.386 120.200 -0.457 0.000 2.072 294 E HA -0.188 4.157 4.350 -0.008 0.000 0.191 294 E C 2.100 178.564 176.600 -0.227 0.000 0.985 294 E CA 1.059 57.291 56.400 -0.279 0.000 0.801 294 E CB -0.580 28.954 29.700 -0.277 0.000 0.750 294 E HN 0.743 nan 8.360 nan 0.000 0.452 295 E N 0.549 120.568 120.200 -0.302 0.000 2.106 295 E HA -0.150 4.195 4.350 -0.008 0.000 0.192 295 E C 2.256 178.597 176.600 -0.432 0.000 0.984 295 E CA 0.381 56.558 56.400 -0.373 0.000 0.806 295 E CB 0.028 29.543 29.700 -0.308 0.000 0.750 295 E HN 0.078 nan 8.360 nan 0.000 0.458 296 L N 0.587 121.666 121.223 -0.241 0.000 2.027 296 L HA -0.178 4.157 4.340 -0.008 0.000 0.206 296 L C 2.157 179.077 176.870 0.083 0.000 1.074 296 L CA 1.052 55.886 54.840 -0.009 0.000 0.745 296 L CB -0.280 41.785 42.059 0.011 0.000 0.898 296 L HN 0.148 nan 8.230 nan 0.000 0.433 297 L N -1.186 120.054 121.223 0.028 0.000 2.042 297 L HA -0.242 4.094 4.340 -0.008 0.000 0.210 297 L C 2.229 179.180 176.870 0.134 0.000 1.076 297 L CA 1.932 56.829 54.840 0.095 0.000 0.749 297 L CB -1.654 40.449 42.059 0.072 0.000 0.893 297 L HN 0.562 nan 8.230 nan 0.000 0.432 298 W N -0.421 120.804 121.300 -0.125 0.000 2.335 298 W HA -0.279 4.378 4.660 -0.004 0.000 0.311 298 W C 2.412 178.892 176.519 -0.065 0.000 1.213 298 W CA 1.424 58.688 57.345 -0.135 0.000 1.274 298 W CB -0.321 28.984 29.460 -0.259 0.000 1.148 298 W HN 0.065 nan 8.180 nan 0.000 0.498 299 F N 0.237 120.198 119.950 0.017 0.000 2.046 299 F HA -0.226 4.297 4.527 -0.007 0.000 0.297 299 F C 2.429 178.084 175.800 -0.242 0.000 1.123 299 F CA 1.456 59.248 58.000 -0.346 0.000 1.199 299 F CB -1.602 37.097 39.000 -0.501 0.000 0.972 299 F HN -0.171 nan 8.300 nan 0.000 0.474 300 L N -0.549 120.815 121.223 0.236 0.000 2.129 300 L HA -0.238 4.097 4.340 -0.008 0.000 0.212 300 L C 2.465 179.394 176.870 0.099 0.000 1.087 300 L CA 1.307 56.289 54.840 0.236 0.000 0.757 300 L CB -0.454 41.734 42.059 0.215 0.000 0.896 300 L HN 0.120 nan 8.230 nan 0.000 0.434 301 R N -0.589 119.932 120.500 0.035 0.000 2.276 301 R HA -0.006 4.330 4.340 -0.008 0.000 0.203 301 R C 1.356 177.624 176.300 -0.053 0.000 1.017 301 R CA 0.630 56.730 56.100 -0.000 0.000 1.010 301 R CB 0.039 30.342 30.300 0.005 0.000 0.900 301 R HN 0.503 nan 8.270 nan 0.000 0.469 302 G N 1.173 109.900 108.800 -0.123 0.000 2.141 302 G HA2 -0.233 3.723 3.960 -0.008 0.000 0.242 302 G HA3 -0.233 3.723 3.960 -0.008 0.000 0.242 302 G C -0.259 174.529 174.900 -0.186 0.000 0.982 302 G CA -0.177 44.845 45.100 -0.130 0.000 0.662 302 G HN 0.261 nan 8.290 nan 0.000 0.527 303 E N 0.375 120.304 120.200 -0.451 0.000 2.415 303 E HA 0.309 4.655 4.350 -0.008 0.000 0.262 303 E C 1.406 177.506 176.600 -0.834 0.000 1.038 303 E CA 1.074 57.087 56.400 -0.644 0.000 0.921 303 E CB 0.876 29.887 29.700 -1.148 0.000 0.950 303 E HN 0.671 nan 8.360 nan 0.000 0.438 304 T N -1.456 112.915 114.554 -0.305 0.000 3.087 304 T HA 0.021 4.367 4.350 -0.008 0.000 0.283 304 T C -0.024 174.792 174.700 0.194 0.000 0.956 304 T CA -0.367 61.638 62.100 -0.158 0.000 0.894 304 T CB -0.110 68.683 68.868 -0.124 0.000 1.160 304 T HN 0.337 nan 8.240 nan 0.000 0.532 305 Y N 2.678 123.067 120.300 0.148 0.000 2.518 305 Y HA 0.721 5.268 4.550 -0.006 0.000 0.344 305 Y C 1.234 177.270 175.900 0.227 0.000 0.982 305 Y CA -1.987 56.147 58.100 0.056 0.000 1.234 305 Y CB 0.691 39.070 38.460 -0.135 0.000 1.114 305 Y HN 0.218 nan 8.280 nan 0.000 0.515 306 A N 4.776 127.534 122.820 -0.104 0.000 2.119 306 A HA -0.103 4.213 4.320 -0.008 0.000 0.217 306 A C 2.148 179.471 177.584 -0.435 0.000 1.153 306 A CA 1.152 52.989 52.037 -0.333 0.000 0.692 306 A CB -0.329 18.496 19.000 -0.291 0.000 0.799 306 A HN 0.738 nan 8.150 nan 0.000 0.458 307 K N 0.784 120.751 120.400 -0.721 0.000 2.160 307 K HA -0.162 4.153 4.320 -0.008 0.000 0.206 307 K C 1.727 178.119 176.600 -0.346 0.000 1.047 307 K CA 1.949 57.867 56.287 -0.616 0.000 0.930 307 K CB -0.253 31.643 32.500 -1.007 0.000 0.720 307 K HN 0.470 nan 8.250 nan 0.000 0.450 308 K N -0.412 119.833 120.400 -0.257 0.000 2.209 308 K HA -0.117 4.198 4.320 -0.008 0.000 0.204 308 K C 1.630 178.137 176.600 -0.155 0.000 1.048 308 K CA 1.040 57.294 56.287 -0.055 0.000 0.940 308 K CB -0.034 32.579 32.500 0.189 0.000 0.729 308 K HN 0.072 nan 8.250 nan 0.000 0.451 309 L N 0.197 121.219 121.223 -0.335 0.000 2.162 309 L HA -0.001 4.334 4.340 -0.008 0.000 0.205 309 L C 2.099 178.795 176.870 -0.290 0.000 1.086 309 L CA 1.456 56.068 54.840 -0.381 0.000 0.778 309 L CB -0.558 41.148 42.059 -0.587 0.000 0.928 309 L HN -0.043 nan 8.230 nan 0.000 0.446 310 S N -0.273 115.279 115.700 -0.246 0.000 2.368 310 S HA -0.169 4.296 4.470 -0.008 0.000 0.225 310 S C 1.472 175.980 174.600 -0.152 0.000 1.030 310 S CA 1.236 59.322 58.200 -0.191 0.000 0.999 310 S CB -0.234 62.950 63.200 -0.027 0.000 0.844 310 S HN 0.441 nan 8.310 nan 0.000 0.459 311 D N 1.070 121.405 120.400 -0.110 0.000 2.218 311 D HA -0.044 4.592 4.640 -0.008 0.000 0.204 311 D C 1.341 177.602 176.300 -0.066 0.000 0.976 311 D CA 1.016 54.982 54.000 -0.057 0.000 0.853 311 D CB -0.091 40.689 40.800 -0.033 0.000 0.939 311 D HN 0.332 nan 8.370 nan 0.000 0.481 312 K N -0.682 119.650 120.400 -0.113 0.000 2.410 312 K HA 0.244 4.559 4.320 -0.008 0.000 0.200 312 K C 0.906 177.431 176.600 -0.125 0.000 1.023 312 K CA 0.231 56.458 56.287 -0.100 0.000 1.149 312 K CB 0.741 33.178 32.500 -0.105 0.000 0.859 312 K HN 0.079 nan 8.250 nan 0.000 0.514 313 G N 0.797 109.470 108.800 -0.211 0.000 2.153 313 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.252 313 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.252 313 G C -0.038 174.626 174.900 -0.394 0.000 0.994 313 G CA 0.092 45.017 45.100 -0.291 0.000 0.698 313 G HN 0.154 nan 8.290 nan 0.000 0.521 314 V N 0.575 120.255 119.914 -0.389 0.000 2.318 314 V HA 0.437 4.552 4.120 -0.008 0.000 0.271 314 V C 0.725 176.642 176.094 -0.295 0.000 1.030 314 V CA -0.353 61.837 62.300 -0.184 0.000 0.844 314 V CB 0.902 32.644 31.823 -0.134 0.000 1.015 314 V HN 0.455 nan 8.190 nan 0.000 0.460 315 H N 4.186 123.272 119.070 0.027 0.000 2.505 315 H HA 0.239 4.794 4.556 -0.001 0.000 0.286 315 H C 1.912 177.194 175.328 -0.077 0.000 1.072 315 H CA -0.076 55.950 56.048 -0.037 0.000 1.141 315 H CB 0.365 30.097 29.762 -0.050 0.000 1.550 315 H HN 0.771 nan 8.280 nan 0.000 0.547 316 I N -2.361 118.191 120.570 -0.030 0.000 2.567 316 I HA -0.168 3.997 4.170 -0.008 0.000 0.257 316 I C 0.861 176.739 176.117 -0.398 0.000 1.184 316 I CA 1.381 62.536 61.300 -0.242 0.000 1.451 316 I CB -0.112 37.660 38.000 -0.379 0.000 1.089 316 I HN 0.196 nan 8.210 nan 0.000 0.441 317 W N 1.421 122.624 121.300 -0.162 0.000 3.220 317 W HA 0.175 4.830 4.660 -0.009 0.000 0.328 317 W C 1.602 178.038 176.519 -0.138 0.000 1.205 317 W CA -0.335 56.911 57.345 -0.164 0.000 1.773 317 W CB 0.032 29.362 29.460 -0.216 0.000 1.086 317 W HN 0.054 nan 8.180 nan 0.000 0.622 318 D N 0.629 121.069 120.400 0.066 0.000 2.123 318 D HA -0.213 4.423 4.640 -0.008 0.000 0.196 318 D C 1.583 177.874 176.300 -0.015 0.000 0.992 318 D CA 1.694 55.714 54.000 0.032 0.000 0.833 318 D CB -0.254 40.558 40.800 0.020 0.000 0.954 318 D HN 0.089 nan 8.370 nan 0.000 0.455 319 D N 0.153 120.503 120.400 -0.083 0.000 2.084 319 D HA -0.063 4.572 4.640 -0.008 0.000 0.196 319 D C 1.267 177.394 176.300 -0.289 0.000 0.985 319 D CA 0.731 54.645 54.000 -0.144 0.000 0.826 319 D CB -0.341 40.350 40.800 -0.182 0.000 0.978 319 D HN 0.328 nan 8.370 nan 0.000 0.456 320 N N -0.014 118.445 118.700 -0.402 0.000 2.449 320 N HA 0.029 4.764 4.740 -0.008 0.000 0.191 320 N C 1.233 176.666 175.510 -0.129 0.000 1.161 320 N CA 0.157 52.717 53.050 -0.817 0.000 0.863 320 N CB 0.791 38.967 38.487 -0.519 0.000 0.980 320 N HN 0.100 nan 8.380 nan 0.000 0.458 321 G N 0.459 109.293 108.800 0.057 0.000 3.274 321 G HA2 -0.016 3.939 3.960 -0.008 0.000 0.250 321 G HA3 -0.016 3.939 3.960 -0.008 0.000 0.250 321 G C 0.375 175.378 174.900 0.170 0.000 1.024 321 G CA -0.193 45.009 45.100 0.170 0.000 0.840 321 G HN 0.210 nan 8.290 nan 0.000 0.522 322 S N -0.057 115.740 115.700 0.161 0.000 2.585 322 S HA 0.297 4.762 4.470 -0.008 0.000 0.273 322 S C 1.469 176.182 174.600 0.188 0.000 1.339 322 S CA -0.300 57.989 58.200 0.149 0.000 1.028 322 S CB 2.221 65.490 63.200 0.117 0.000 0.906 322 S HN 0.154 nan 8.310 nan 0.000 0.528 323 R N 2.313 122.899 120.500 0.143 0.000 2.134 323 R HA -0.205 4.130 4.340 -0.008 0.000 0.248 323 R C 2.268 178.644 176.300 0.126 0.000 1.143 323 R CA 2.424 58.602 56.100 0.130 0.000 0.957 323 R CB -1.420 28.938 30.300 0.096 0.000 0.867 323 R HN 0.900 nan 8.270 nan 0.000 0.441 324 A N -1.045 121.851 122.820 0.126 0.000 1.930 324 A HA -0.097 4.219 4.320 -0.008 0.000 0.217 324 A C 2.186 179.852 177.584 0.137 0.000 1.175 324 A CA 1.327 53.430 52.037 0.110 0.000 0.627 324 A CB -0.745 18.315 19.000 0.100 0.000 0.815 324 A HN 0.498 nan 8.150 nan 0.000 0.443 325 F N 0.434 120.418 119.950 0.058 0.000 2.163 325 F HA -0.030 4.493 4.527 -0.008 0.000 0.297 325 F C 1.903 177.746 175.800 0.072 0.000 1.094 325 F CA 1.391 59.431 58.000 0.065 0.000 1.290 325 F CB -0.159 38.890 39.000 0.081 0.000 1.017 325 F HN 0.116 nan 8.300 nan 0.000 0.483 326 L N -0.010 121.355 121.223 0.236 0.000 2.042 326 L HA -0.245 4.091 4.340 -0.008 0.000 0.210 326 L C 2.062 178.926 176.870 -0.010 0.000 1.076 326 L CA 1.476 56.403 54.840 0.145 0.000 0.749 326 L CB -0.862 41.338 42.059 0.236 0.000 0.893 326 L HN 0.090 nan 8.230 nan 0.000 0.432 327 D N -0.319 120.080 120.400 -0.001 0.000 2.144 327 D HA -0.157 4.478 4.640 -0.008 0.000 0.199 327 D C 2.320 178.565 176.300 -0.092 0.000 0.984 327 D CA 1.694 55.672 54.000 -0.037 0.000 0.834 327 D CB -0.133 40.664 40.800 -0.005 0.000 0.955 327 D HN 0.337 nan 8.370 nan 0.000 0.465 328 S N -0.556 115.058 115.700 -0.143 0.000 2.607 328 S HA -0.008 4.457 4.470 -0.008 0.000 0.224 328 S C 1.712 176.153 174.600 -0.264 0.000 0.969 328 S CA 0.245 58.329 58.200 -0.193 0.000 0.927 328 S CB 0.211 63.285 63.200 -0.212 0.000 0.772 328 S HN -0.009 nan 8.310 nan 0.000 0.533 329 R N 0.243 120.576 120.500 -0.279 0.000 2.365 329 R HA 0.387 4.722 4.340 -0.008 0.000 0.223 329 R C 1.453 177.664 176.300 -0.149 0.000 0.899 329 R CA 0.789 56.748 56.100 -0.236 0.000 1.059 329 R CB -0.025 30.120 30.300 -0.258 0.000 1.086 329 R HN 0.497 nan 8.270 nan 0.000 0.522 330 G N 0.225 108.943 108.800 -0.136 0.000 2.194 330 G HA2 -0.231 3.725 3.960 -0.008 0.000 0.236 330 G HA3 -0.231 3.725 3.960 -0.008 0.000 0.236 330 G C 0.056 174.859 174.900 -0.163 0.000 0.987 330 G CA 0.220 45.245 45.100 -0.125 0.000 0.635 330 G HN 0.215 nan 8.290 nan 0.000 0.520 331 L N 2.749 123.859 121.223 -0.190 0.000 2.583 331 L HA 0.317 4.653 4.340 -0.008 0.000 0.239 331 L C 2.102 178.830 176.870 -0.236 0.000 1.347 331 L CA 0.489 55.115 54.840 -0.357 0.000 1.246 331 L CB -0.177 41.657 42.059 -0.376 0.000 1.496 331 L HN 0.345 nan 8.230 nan 0.000 0.413 332 T N -4.154 110.305 114.554 -0.157 0.000 3.118 332 T HA -0.048 4.298 4.350 -0.008 0.000 0.260 332 T C 1.174 175.862 174.700 -0.020 0.000 1.139 332 T CA 0.611 62.676 62.100 -0.058 0.000 1.085 332 T CB -0.022 68.819 68.868 -0.045 0.000 0.934 332 T HN 0.511 nan 8.240 nan 0.000 0.518 333 E N -0.337 119.820 120.200 -0.072 0.000 2.452 333 E HA 0.183 4.529 4.350 -0.008 0.000 0.197 333 E C -0.458 176.305 176.600 0.271 0.000 1.022 333 E CA -0.175 56.259 56.400 0.057 0.000 0.890 333 E CB -0.118 29.593 29.700 0.018 0.000 0.918 333 E HN 0.495 nan 8.360 nan 0.000 0.496 334 Y N 2.736 123.145 120.300 0.182 0.000 2.346 334 Y HA 0.144 4.689 4.550 -0.009 0.000 0.330 334 Y C 0.930 176.950 175.900 0.200 0.000 1.178 334 Y CA -1.911 56.336 58.100 0.244 0.000 1.331 334 Y CB 0.128 38.710 38.460 0.203 0.000 1.253 334 Y HN 0.042 nan 8.280 nan 0.000 0.529 335 E N 0.594 121.023 120.200 0.382 0.000 2.371 335 E HA 0.170 4.515 4.350 -0.008 0.000 0.257 335 E C -0.621 176.140 176.600 0.269 0.000 1.134 335 E CA -0.883 55.671 56.400 0.257 0.000 0.919 335 E CB 0.648 30.466 29.700 0.196 0.000 1.025 335 E HN 0.604 nan 8.360 nan 0.000 0.438 336 E N 1.130 121.460 120.200 0.216 0.000 2.465 336 E HA -0.136 4.209 4.350 -0.008 0.000 0.260 336 E C -0.106 176.615 176.600 0.202 0.000 0.980 336 E CA 0.329 56.843 56.400 0.190 0.000 0.927 336 E CB 0.201 29.984 29.700 0.139 0.000 0.934 336 E HN 0.606 nan 8.360 nan 0.000 0.459 337 M N 1.207 120.895 119.600 0.147 0.000 2.961 337 M HA -0.224 4.252 4.480 -0.008 0.000 0.198 337 M C -0.474 175.893 176.300 0.111 0.000 0.610 337 M CA 0.743 56.072 55.300 0.049 0.000 0.755 337 M CB -1.992 30.506 32.600 -0.170 0.000 2.707 337 M HN 0.586 nan 8.290 nan 0.000 0.299 338 D N 1.687 122.217 120.400 0.218 0.000 2.352 338 D HA 0.431 5.067 4.640 -0.008 0.000 0.245 338 D C 0.913 177.203 176.300 -0.016 0.000 1.224 338 D CA -0.014 54.071 54.000 0.142 0.000 0.879 338 D CB 0.372 41.269 40.800 0.162 0.000 1.057 338 D HN 0.440 nan 8.370 nan 0.000 0.491 339 L N 3.058 124.237 121.223 -0.073 0.000 2.591 339 L HA 0.247 4.582 4.340 -0.008 0.000 0.228 339 L C 1.582 178.276 176.870 -0.293 0.000 1.133 339 L CA 0.196 54.983 54.840 -0.089 0.000 0.880 339 L CB -0.586 41.405 42.059 -0.113 0.000 1.033 339 L HN 0.631 nan 8.230 nan 0.000 0.450 340 G N 1.207 109.568 108.800 -0.733 0.000 2.642 340 G HA2 -0.221 3.734 3.960 -0.008 0.000 0.231 340 G HA3 -0.221 3.734 3.960 -0.008 0.000 0.231 340 G C -2.556 171.514 174.900 -1.384 0.000 1.338 340 G CA -0.461 43.872 45.100 -1.279 0.000 0.883 340 G HN 0.059 nan 8.290 nan 0.000 0.570 341 P HA 0.396 nan 4.420 nan 0.000 0.225 341 P C 0.483 177.491 177.300 -0.487 0.000 1.813 341 P CA 0.291 62.694 63.100 -1.163 0.000 1.013 341 P CB -0.076 30.992 31.700 -1.054 0.000 1.961 342 V N -1.146 118.538 119.914 -0.384 0.000 2.997 342 V HA 0.321 4.437 4.120 -0.008 0.000 0.311 342 V C 1.147 177.126 176.094 -0.191 0.000 1.066 342 V CA -0.562 61.579 62.300 -0.264 0.000 1.039 342 V CB -0.129 31.591 31.823 -0.172 0.000 1.081 342 V HN 0.246 nan 8.190 nan 0.000 0.467 343 Y N 2.641 122.794 120.300 -0.246 0.000 2.187 343 Y HA -0.421 4.125 4.550 -0.008 0.000 0.373 343 Y C 2.465 177.838 175.900 -0.877 0.000 0.855 343 Y CA 3.053 60.794 58.100 -0.598 0.000 2.485 343 Y CB -2.115 35.728 38.460 -1.028 0.000 0.807 343 Y HN 0.844 nan 8.280 nan 0.000 0.678 344 G N -1.441 106.877 108.800 -0.804 0.000 2.475 344 G HA2 -0.300 3.655 3.960 -0.008 0.000 0.220 344 G HA3 -0.300 3.655 3.960 -0.008 0.000 0.220 344 G C 1.429 176.200 174.900 -0.215 0.000 1.125 344 G CA 1.083 45.786 45.100 -0.662 0.000 0.755 344 G HN 0.483 nan 8.290 nan 0.000 0.565 345 F N 1.020 120.815 119.950 -0.258 0.000 2.126 345 F HA -0.104 4.419 4.527 -0.008 0.000 0.299 345 F C 2.862 178.658 175.800 -0.007 0.000 1.096 345 F CA 1.821 59.756 58.000 -0.109 0.000 1.255 345 F CB 0.146 39.021 39.000 -0.209 0.000 0.997 345 F HN 0.094 nan 8.300 nan 0.000 0.479 346 Q N -0.894 119.001 119.800 0.158 0.000 2.172 346 Q HA -0.160 4.175 4.340 -0.008 0.000 0.200 346 Q C 2.048 178.297 176.000 0.414 0.000 0.964 346 Q CA 1.108 57.056 55.803 0.241 0.000 0.855 346 Q CB -0.807 28.092 28.738 0.270 0.000 0.918 346 Q HN 0.515 nan 8.270 nan 0.000 0.444 347 W N 1.410 122.757 121.300 0.079 0.000 2.358 347 W HA -0.098 4.558 4.660 -0.006 0.000 0.303 347 W C 1.990 178.431 176.519 -0.129 0.000 1.208 347 W CA 0.797 58.143 57.345 0.002 0.000 1.274 347 W CB -0.294 29.097 29.460 -0.114 0.000 1.138 347 W HN 0.146 nan 8.180 nan 0.000 0.515 348 R N -1.746 118.721 120.500 -0.055 0.000 2.225 348 R HA 0.079 4.414 4.340 -0.008 0.000 0.194 348 R C 0.302 176.195 176.300 -0.679 0.000 0.957 348 R CA 0.758 56.614 56.100 -0.408 0.000 1.042 348 R CB -0.539 29.393 30.300 -0.613 0.000 1.004 348 R HN 0.285 nan 8.270 nan 0.000 0.509 349 H N -0.611 118.301 119.070 -0.262 0.000 2.676 349 H HA 0.157 4.708 4.556 -0.008 0.000 0.238 349 H C -0.698 174.531 175.328 -0.166 0.000 1.276 349 H CA -0.984 54.848 56.048 -0.359 0.000 0.983 349 H CB -0.461 28.749 29.762 -0.920 0.000 2.000 349 H HN -0.064 nan 8.280 nan 0.000 0.584 350 F N 2.144 122.089 119.950 -0.008 0.000 2.593 350 F HA 0.216 4.738 4.527 -0.008 0.000 0.393 350 F C 1.478 177.339 175.800 0.103 0.000 1.037 350 F CA 1.954 60.003 58.000 0.083 0.000 1.195 350 F CB 0.358 39.419 39.000 0.101 0.000 1.034 350 F HN 0.608 nan 8.300 nan 0.000 0.552 351 G N 3.501 112.121 108.800 -0.300 0.000 2.199 351 G HA2 -0.179 3.776 3.960 -0.008 0.000 0.254 351 G HA3 -0.179 3.776 3.960 -0.008 0.000 0.254 351 G C 0.310 175.254 174.900 0.073 0.000 0.982 351 G CA -0.033 45.002 45.100 -0.109 0.000 0.632 351 G HN 1.376 nan 8.290 nan 0.000 0.529 352 A N 0.461 123.374 122.820 0.156 0.000 2.462 352 A HA 0.732 5.048 4.320 -0.008 0.000 0.243 352 A C 1.100 178.852 177.584 0.279 0.000 1.076 352 A CA 1.051 53.221 52.037 0.222 0.000 0.773 352 A CB 0.303 19.436 19.000 0.223 0.000 1.010 352 A HN 2.141 nan 8.150 nan 0.000 0.493 353 A N 1.847 124.792 122.820 0.209 0.000 2.520 353 A HA 0.404 4.719 4.320 -0.008 0.000 0.245 353 A C -0.304 177.431 177.584 0.253 0.000 1.072 353 A CA 0.226 52.365 52.037 0.170 0.000 0.761 353 A CB -0.309 18.754 19.000 0.104 0.000 1.004 353 A HN 0.956 nan 8.150 nan 0.000 0.499 354 Y N 2.480 122.774 120.300 -0.010 0.000 2.342 354 Y HA 0.417 4.963 4.550 -0.008 0.000 0.334 354 Y C 1.410 177.282 175.900 -0.047 0.000 1.067 354 Y CA 0.580 58.603 58.100 -0.130 0.000 1.128 354 Y CB 1.713 39.865 38.460 -0.513 0.000 1.200 354 Y HN 0.853 nan 8.280 nan 0.000 0.464 355 T N 0.991 115.291 114.554 -0.423 0.000 3.311 355 T HA 0.321 4.667 4.350 -0.008 0.000 0.239 355 T C -0.167 174.025 174.700 -0.847 0.000 0.976 355 T CA 0.207 62.044 62.100 -0.438 0.000 1.283 355 T CB 0.073 68.784 68.868 -0.262 0.000 1.113 355 T HN 0.581 nan 8.240 nan 0.000 0.392 356 H N 0.096 118.849 119.070 -0.529 0.000 3.016 356 H HA 0.345 4.896 4.556 -0.008 0.000 0.362 356 H C 0.825 175.904 175.328 -0.415 0.000 1.233 356 H CA 0.065 55.886 56.048 -0.377 0.000 1.124 356 H CB 1.562 31.199 29.762 -0.208 0.000 1.850 356 H HN 0.594 nan 8.280 nan 0.000 0.549 357 H N 0.221 119.270 119.070 -0.036 0.000 2.387 357 H HA -0.135 4.417 4.556 -0.007 0.000 0.299 357 H C 0.696 176.029 175.328 0.008 0.000 1.099 357 H CA 1.999 58.063 56.048 0.027 0.000 1.315 357 H CB 0.086 29.847 29.762 -0.001 0.000 1.380 357 H HN 0.491 nan 8.280 nan 0.000 0.513 358 D N 0.988 120.895 120.400 -0.821 0.000 2.328 358 D HA 0.172 4.807 4.640 -0.008 0.000 0.226 358 D C 0.691 176.801 176.300 -0.315 0.000 1.066 358 D CA 0.317 53.975 54.000 -0.570 0.000 0.861 358 D CB -0.410 39.944 40.800 -0.744 0.000 0.912 358 D HN 0.629 nan 8.370 nan 0.000 0.521 359 A N 0.528 123.176 122.820 -0.287 0.000 2.304 359 A HA 0.331 4.647 4.320 -0.008 0.000 0.271 359 A C 0.208 177.479 177.584 -0.522 0.000 1.091 359 A CA -0.628 51.138 52.037 -0.452 0.000 0.812 359 A CB 0.288 18.878 19.000 -0.682 0.000 1.056 359 A HN 0.145 nan 8.150 nan 0.000 0.489 360 N N 0.238 118.615 118.700 -0.539 0.000 2.406 360 N HA 0.236 4.971 4.740 -0.008 0.000 0.251 360 N C -0.884 174.274 175.510 -0.587 0.000 1.069 360 N CA 0.104 52.901 53.050 -0.421 0.000 0.947 360 N CB -0.009 38.306 38.487 -0.288 0.000 1.111 360 N HN 0.511 nan 8.380 nan 0.000 0.497 361 Y N 0.375 120.498 120.300 -0.295 0.000 2.485 361 Y HA 0.248 4.793 4.550 -0.008 0.000 0.260 361 Y C 0.027 175.630 175.900 -0.494 0.000 1.173 361 Y CA -0.625 57.210 58.100 -0.441 0.000 1.252 361 Y CB 0.139 38.196 38.460 -0.672 0.000 1.123 361 Y HN 0.389 nan 8.280 nan 0.000 0.524 362 D N 0.693 120.874 120.400 -0.365 0.000 2.520 362 D HA 0.168 4.803 4.640 -0.008 0.000 0.243 362 D C 1.403 177.366 176.300 -0.562 0.000 1.160 362 D CA 1.814 55.403 54.000 -0.685 0.000 0.877 362 D CB 0.722 40.899 40.800 -1.038 0.000 1.150 362 D HN 0.568 nan 8.370 nan 0.000 0.494 363 G N 2.718 111.279 108.800 -0.399 0.000 2.179 363 G HA2 -0.299 3.656 3.960 -0.008 0.000 0.260 363 G HA3 -0.299 3.656 3.960 -0.008 0.000 0.260 363 G C 0.256 175.193 174.900 0.062 0.000 0.977 363 G CA -0.019 45.081 45.100 -0.001 0.000 0.641 363 G HN 0.554 nan 8.290 nan 0.000 0.533 364 Q N 0.052 119.881 119.800 0.049 0.000 2.241 364 Q HA 0.535 4.871 4.340 -0.008 0.000 0.254 364 Q C 0.788 176.881 176.000 0.155 0.000 0.917 364 Q CA 0.098 55.953 55.803 0.086 0.000 0.919 364 Q CB 1.748 30.523 28.738 0.061 0.000 1.237 364 Q HN 1.580 nan 8.270 nan 0.000 0.434 365 G N 0.203 109.086 108.800 0.137 0.000 2.725 365 G HA2 -0.217 3.738 3.960 -0.008 0.000 0.220 365 G HA3 -0.217 3.738 3.960 -0.008 0.000 0.220 365 G C -0.870 174.120 174.900 0.151 0.000 1.357 365 G CA -0.815 44.379 45.100 0.157 0.000 0.866 365 G HN 0.494 nan 8.290 nan 0.000 0.548 366 V N 1.175 121.201 119.914 0.187 0.000 2.364 366 V HA 0.388 4.503 4.120 -0.008 0.000 0.272 366 V C 0.236 176.380 176.094 0.083 0.000 1.036 366 V CA 0.024 62.404 62.300 0.133 0.000 0.880 366 V CB 1.563 33.462 31.823 0.126 0.000 0.991 366 V HN 0.736 nan 8.190 nan 0.000 0.460 367 D N 4.302 124.718 120.400 0.027 0.000 2.470 367 D HA 0.127 4.763 4.640 -0.008 0.000 0.226 367 D C 1.234 177.527 176.300 -0.012 0.000 1.196 367 D CA 0.153 54.132 54.000 -0.035 0.000 0.979 367 D CB 0.866 41.643 40.800 -0.038 0.000 1.059 367 D HN 0.617 nan 8.370 nan 0.000 0.515 368 Q N 2.423 122.229 119.800 0.009 0.000 2.119 368 Q HA -0.117 4.218 4.340 -0.008 0.000 0.201 368 Q C 1.753 177.729 176.000 -0.041 0.000 0.972 368 Q CA 0.632 56.446 55.803 0.018 0.000 0.847 368 Q CB 0.436 29.230 28.738 0.093 0.000 0.903 368 Q HN 0.535 nan 8.270 nan 0.000 0.433 369 I N 1.568 122.060 120.570 -0.130 0.000 2.142 369 I HA -0.275 3.890 4.170 -0.008 0.000 0.240 369 I C 2.368 178.414 176.117 -0.118 0.000 1.078 369 I CA 1.531 62.709 61.300 -0.203 0.000 1.343 369 I CB -1.092 36.777 38.000 -0.218 0.000 1.046 369 I HN 0.248 nan 8.210 nan 0.000 0.405 370 K N 1.002 121.358 120.400 -0.073 0.000 2.103 370 K HA -0.194 4.122 4.320 -0.008 0.000 0.207 370 K C 2.148 178.725 176.600 -0.040 0.000 1.048 370 K CA 1.689 57.950 56.287 -0.043 0.000 0.930 370 K CB 0.031 32.522 32.500 -0.014 0.000 0.716 370 K HN 0.282 nan 8.250 nan 0.000 0.444 371 A N 1.182 123.984 122.820 -0.030 0.000 1.877 371 A HA -0.151 4.164 4.320 -0.008 0.000 0.216 371 A C 2.063 179.629 177.584 -0.031 0.000 1.186 371 A CA 1.402 53.428 52.037 -0.018 0.000 0.620 371 A CB -0.512 18.487 19.000 -0.002 0.000 0.822 371 A HN 0.282 nan 8.150 nan 0.000 0.443 372 I N -0.393 120.153 120.570 -0.041 0.000 2.151 372 I HA -0.245 3.920 4.170 -0.008 0.000 0.243 372 I C 2.462 178.501 176.117 -0.129 0.000 1.080 372 I CA 1.368 62.625 61.300 -0.071 0.000 1.339 372 I CB -0.333 37.619 38.000 -0.080 0.000 1.039 372 I HN 0.158 nan 8.210 nan 0.000 0.409 373 V N 0.325 120.156 119.914 -0.139 0.000 2.252 373 V HA -0.307 3.808 4.120 -0.008 0.000 0.249 373 V C 2.520 178.563 176.094 -0.085 0.000 1.056 373 V CA 1.945 64.168 62.300 -0.129 0.000 1.022 373 V CB -0.675 31.089 31.823 -0.098 0.000 0.641 373 V HN 0.417 nan 8.190 nan 0.000 0.445 374 E N -0.034 120.131 120.200 -0.058 0.000 2.110 374 E HA -0.149 4.196 4.350 -0.008 0.000 0.193 374 E C 2.324 178.900 176.600 -0.040 0.000 0.988 374 E CA 1.729 58.105 56.400 -0.040 0.000 0.804 374 E CB -0.702 28.983 29.700 -0.026 0.000 0.745 374 E HN 0.645 nan 8.360 nan 0.000 0.458 375 T N 1.919 116.448 114.554 -0.041 0.000 2.674 375 T HA -0.092 4.254 4.350 -0.008 0.000 0.265 375 T C 2.166 176.840 174.700 -0.042 0.000 1.039 375 T CA 0.898 62.979 62.100 -0.032 0.000 1.150 375 T CB -0.354 68.502 68.868 -0.020 0.000 0.864 375 T HN 0.089 nan 8.240 nan 0.000 0.427 376 L N 0.597 121.782 121.223 -0.063 0.000 2.081 376 L HA -0.173 4.163 4.340 -0.008 0.000 0.212 376 L C 2.682 179.515 176.870 -0.061 0.000 1.080 376 L CA 1.442 56.239 54.840 -0.072 0.000 0.754 376 L CB -0.512 41.477 42.059 -0.117 0.000 0.893 376 L HN 0.255 nan 8.230 nan 0.000 0.433 377 K N -0.734 119.632 120.400 -0.058 0.000 2.057 377 K HA -0.113 4.202 4.320 -0.008 0.000 0.206 377 K C 2.105 178.683 176.600 -0.038 0.000 1.050 377 K CA 1.921 58.179 56.287 -0.047 0.000 0.935 377 K CB -0.175 32.298 32.500 -0.044 0.000 0.715 377 K HN 0.509 nan 8.250 nan 0.000 0.439 378 T N -2.460 112.074 114.554 -0.034 0.000 3.046 378 T HA -0.002 4.343 4.350 -0.008 0.000 0.242 378 T C 0.800 175.483 174.700 -0.027 0.000 1.018 378 T CA 0.039 62.123 62.100 -0.028 0.000 1.131 378 T CB 0.016 68.870 68.868 -0.023 0.000 0.904 378 T HN 0.046 nan 8.240 nan 0.000 0.459 379 N N 1.737 120.419 118.700 -0.029 0.000 2.664 379 N HA 0.282 5.017 4.740 -0.008 0.000 0.257 379 N C -2.610 172.878 175.510 -0.037 0.000 1.108 379 N CA -1.686 51.346 53.050 -0.030 0.000 0.822 379 N CB 2.111 40.585 38.487 -0.022 0.000 1.199 379 N HN -0.012 nan 8.380 nan 0.000 0.529 380 P HA 0.042 nan 4.420 nan 0.000 0.225 380 P C 0.327 177.572 177.300 -0.092 0.000 1.156 380 P CA 0.676 63.735 63.100 -0.068 0.000 0.787 380 P CB 0.396 32.049 31.700 -0.078 0.000 0.802 381 D N -0.836 119.517 120.400 -0.078 0.000 2.371 381 D HA -0.063 4.573 4.640 -0.008 0.000 0.221 381 D C 0.568 176.841 176.300 -0.045 0.000 0.986 381 D CA 0.567 54.518 54.000 -0.082 0.000 0.899 381 D CB -0.659 40.107 40.800 -0.057 0.000 0.902 381 D HN 0.230 nan 8.370 nan 0.000 0.530 382 D N 0.576 120.960 120.400 -0.027 0.000 2.472 382 D HA -0.042 4.594 4.640 -0.008 0.000 0.237 382 D C 0.544 176.857 176.300 0.022 0.000 1.141 382 D CA 0.242 54.241 54.000 -0.001 0.000 0.875 382 D CB 0.720 41.522 40.800 0.002 0.000 1.192 382 D HN 0.054 nan 8.370 nan 0.000 0.450 383 R N 2.431 122.950 120.500 0.033 0.000 2.577 383 R HA 0.160 4.496 4.340 -0.008 0.000 0.344 383 R C 0.779 177.107 176.300 0.046 0.000 1.037 383 R CA -0.109 56.023 56.100 0.054 0.000 1.102 383 R CB 0.785 31.115 30.300 0.050 0.000 1.313 383 R HN 0.253 nan 8.270 nan 0.000 0.561 384 R N 0.234 120.759 120.500 0.042 0.000 2.543 384 R HA 0.295 4.630 4.340 -0.008 0.000 0.323 384 R C 0.063 176.396 176.300 0.054 0.000 1.002 384 R CA -0.132 55.989 56.100 0.034 0.000 1.106 384 R CB 0.563 30.874 30.300 0.018 0.000 1.280 384 R HN 0.020 nan 8.270 nan 0.000 0.549 385 M N 2.002 121.656 119.600 0.090 0.000 3.237 385 M HA 0.176 4.651 4.480 -0.008 0.000 0.266 385 M C -1.028 175.396 176.300 0.207 0.000 1.456 385 M CA 0.356 55.746 55.300 0.150 0.000 1.593 385 M CB -0.133 32.574 32.600 0.178 0.000 1.129 385 M HN -0.104 nan 8.290 nan 0.000 0.547 386 L N 2.632 123.937 121.223 0.137 0.000 2.381 386 L HA 0.702 5.037 4.340 -0.008 0.000 0.268 386 L C -0.649 176.301 176.870 0.132 0.000 0.997 386 L CA -0.510 54.371 54.840 0.068 0.000 0.818 386 L CB 1.767 43.813 42.059 -0.022 0.000 1.310 386 L HN 0.400 nan 8.230 nan 0.000 0.416 387 F N -0.621 119.333 119.950 0.008 0.000 2.520 387 F HA 0.883 5.405 4.527 -0.008 0.000 0.322 387 F C -0.230 175.570 175.800 0.001 0.000 1.103 387 F CA -0.673 57.305 58.000 -0.036 0.000 0.926 387 F CB 1.841 40.771 39.000 -0.118 0.000 1.154 387 F HN 0.376 nan 8.300 nan 0.000 0.453 388 T N 1.200 115.877 114.554 0.205 0.000 2.908 388 T HA 0.695 5.040 4.350 -0.008 0.000 0.290 388 T C 0.213 175.242 174.700 0.549 0.000 1.034 388 T CA -0.071 62.187 62.100 0.263 0.000 1.010 388 T CB 1.658 70.646 68.868 0.199 0.000 1.068 388 T HN 1.009 nan 8.240 nan 0.000 0.481 389 A N 2.721 125.873 122.820 0.553 0.000 2.288 389 A HA 0.259 4.575 4.320 -0.008 0.000 0.216 389 A C 0.670 178.468 177.584 0.356 0.000 1.199 389 A CA -0.499 51.842 52.037 0.506 0.000 0.891 389 A CB 0.068 19.342 19.000 0.457 0.000 0.923 389 A HN 0.818 nan 8.150 nan 0.000 0.500 390 W N 2.527 123.957 121.300 0.216 0.000 2.510 390 W HA 0.261 4.916 4.660 -0.008 0.000 0.388 390 W C -0.679 175.961 176.519 0.201 0.000 1.092 390 W CA -0.287 57.145 57.345 0.145 0.000 1.562 390 W CB 0.165 29.692 29.460 0.111 0.000 1.603 390 W HN 0.267 nan 8.180 nan 0.000 0.396 391 N N 7.050 125.698 118.700 -0.087 0.000 2.707 391 N HA 0.214 4.949 4.740 -0.008 0.000 0.235 391 N C -1.791 173.555 175.510 -0.272 0.000 1.028 391 N CA -2.227 50.766 53.050 -0.096 0.000 0.906 391 N CB 1.303 39.567 38.487 -0.371 0.000 1.131 391 N HN 0.043 nan 8.380 nan 0.000 0.509 392 P HA -0.141 nan 4.420 nan 0.000 0.218 392 P C 0.998 178.204 177.300 -0.158 0.000 1.150 392 P CA 1.267 64.239 63.100 -0.212 0.000 0.841 392 P CB 0.420 32.105 31.700 -0.024 0.000 0.784 393 S N -1.088 114.544 115.700 -0.112 0.000 2.383 393 S HA -0.075 4.391 4.470 -0.008 0.000 0.227 393 S C 1.954 176.473 174.600 -0.137 0.000 1.026 393 S CA 1.376 59.519 58.200 -0.096 0.000 0.981 393 S CB -0.691 62.472 63.200 -0.062 0.000 0.818 393 S HN 0.192 nan 8.310 nan 0.000 0.472 394 A N 0.521 123.222 122.820 -0.198 0.000 2.095 394 A HA 0.263 4.578 4.320 -0.008 0.000 0.212 394 A C 1.785 179.232 177.584 -0.229 0.000 1.162 394 A CA 0.173 52.084 52.037 -0.210 0.000 0.753 394 A CB -0.326 18.524 19.000 -0.250 0.000 0.840 394 A HN 0.314 nan 8.150 nan 0.000 0.468 395 L N 0.471 121.526 121.223 -0.281 0.000 2.010 395 L HA -0.161 4.174 4.340 -0.008 0.000 0.219 395 L C -0.642 176.109 176.870 -0.198 0.000 1.077 395 L CA 2.564 57.219 54.840 -0.307 0.000 0.773 395 L CB -1.672 40.128 42.059 -0.432 0.000 0.892 395 L HN 0.212 nan 8.230 nan 0.000 0.436 396 P HA -0.114 nan 4.420 nan 0.000 0.225 396 P C 1.045 178.285 177.300 -0.101 0.000 1.148 396 P CA 1.004 64.037 63.100 -0.112 0.000 0.779 396 P CB -0.003 31.640 31.700 -0.095 0.000 0.780 397 R N -1.599 118.834 120.500 -0.111 0.000 2.317 397 R HA 0.264 4.599 4.340 -0.008 0.000 0.208 397 R C 0.867 177.144 176.300 -0.038 0.000 0.914 397 R CA 0.172 56.227 56.100 -0.076 0.000 1.060 397 R CB -0.479 29.771 30.300 -0.084 0.000 1.015 397 R HN 0.363 nan 8.270 nan 0.000 0.498 398 M N -0.741 118.812 119.600 -0.078 0.000 2.367 398 M HA 0.315 4.790 4.480 -0.008 0.000 0.339 398 M C 1.281 177.621 176.300 0.067 0.000 1.177 398 M CA -0.394 54.867 55.300 -0.065 0.000 1.068 398 M CB 1.803 34.322 32.600 -0.135 0.000 1.602 398 M HN -0.067 nan 8.290 nan 0.000 0.457 399 A N 2.666 125.579 122.820 0.154 0.000 1.978 399 A HA 0.039 4.355 4.320 -0.008 0.000 0.220 399 A C 0.536 178.368 177.584 0.414 0.000 1.170 399 A CA 1.536 53.779 52.037 0.343 0.000 0.636 399 A CB -0.006 19.232 19.000 0.396 0.000 0.810 399 A HN 0.675 nan 8.150 nan 0.000 0.448 400 L N -1.408 119.984 121.223 0.281 0.000 2.611 400 L HA 0.462 4.797 4.340 -0.008 0.000 0.260 400 L C -2.961 173.980 176.870 0.118 0.000 0.924 400 L CA -1.723 53.281 54.840 0.274 0.000 0.901 400 L CB 2.150 44.446 42.059 0.395 0.000 1.369 400 L HN -0.140 nan 8.230 nan 0.000 0.415 401 P HA 0.303 nan 4.420 nan 0.000 0.271 401 P C -2.621 174.708 177.300 0.048 0.000 1.218 401 P CA -0.975 62.102 63.100 -0.039 0.000 0.780 401 P CB -0.169 31.516 31.700 -0.026 0.000 0.901 402 P HA -0.011 nan 4.420 nan 0.000 0.269 402 P C 0.101 177.558 177.300 0.262 0.000 1.215 402 P CA -0.056 62.941 63.100 -0.172 0.000 0.780 402 P CB 0.739 32.316 31.700 -0.204 0.000 0.898 403 C N 1.325 120.828 119.300 0.339 0.000 2.598 403 C HA 0.107 4.563 4.460 -0.008 0.000 0.291 403 C C 0.986 176.212 174.990 0.394 0.000 1.437 403 C CA 0.416 59.670 59.018 0.393 0.000 1.864 403 C CB -1.432 26.584 27.740 0.460 0.000 2.068 403 C HN 0.743 nan 8.230 nan 0.000 0.618 404 H N 1.478 120.831 119.070 0.472 0.000 2.864 404 H HA 0.456 5.007 4.556 -0.008 0.000 0.281 404 H C 0.382 176.008 175.328 0.497 0.000 1.093 404 H CA -0.019 56.243 56.048 0.357 0.000 1.453 404 H CB 0.238 30.195 29.762 0.325 0.000 1.462 404 H HN 0.446 nan 8.280 nan 0.000 0.480 405 L N 1.392 122.827 121.223 0.355 0.000 2.840 405 L HA 0.462 4.797 4.340 -0.008 0.000 0.249 405 L C -0.285 176.729 176.870 0.240 0.000 1.119 405 L CA -0.084 54.965 54.840 0.348 0.000 0.930 405 L CB 0.490 42.754 42.059 0.340 0.000 1.295 405 L HN 0.539 nan 8.230 nan 0.000 0.534 406 L N 0.852 122.133 121.223 0.097 0.000 2.445 406 L HA 0.951 5.286 4.340 -0.008 0.000 0.262 406 L C -1.639 175.043 176.870 -0.314 0.000 0.974 406 L CA -0.500 54.271 54.840 -0.114 0.000 0.822 406 L CB 2.138 44.142 42.059 -0.092 0.000 1.339 406 L HN 0.072 nan 8.230 nan 0.000 0.409 407 A N 3.971 126.419 122.820 -0.621 0.000 2.437 407 A HA 0.611 4.927 4.320 -0.008 0.000 0.293 407 A C -1.538 175.699 177.584 -0.579 0.000 1.038 407 A CA -0.443 51.182 52.037 -0.687 0.000 0.708 407 A CB 1.783 20.249 19.000 -0.891 0.000 1.251 407 A HN 0.676 nan 8.150 nan 0.000 0.409 408 Q N 1.616 121.167 119.800 -0.414 0.000 2.309 408 Q HA 0.747 5.082 4.340 -0.008 0.000 0.264 408 Q C -1.782 174.037 176.000 -0.301 0.000 1.008 408 Q CA -0.503 55.164 55.803 -0.226 0.000 0.853 408 Q CB 1.225 29.898 28.738 -0.109 0.000 1.314 408 Q HN 0.605 nan 8.270 nan 0.000 0.448 409 F N 2.204 122.192 119.950 0.063 0.000 2.458 409 F HA 0.502 5.024 4.527 -0.008 0.000 0.330 409 F C -0.828 175.069 175.800 0.161 0.000 1.082 409 F CA -0.549 57.515 58.000 0.106 0.000 0.995 409 F CB 1.436 40.491 39.000 0.092 0.000 1.170 409 F HN 0.508 nan 8.300 nan 0.000 0.478 410 Y N 1.532 121.957 120.300 0.207 0.000 2.479 410 Y HA 0.689 5.234 4.550 -0.008 0.000 0.338 410 Y C -1.854 174.109 175.900 0.105 0.000 1.055 410 Y CA -1.019 57.147 58.100 0.111 0.000 1.023 410 Y CB 1.648 40.141 38.460 0.055 0.000 1.287 410 Y HN 0.326 nan 8.280 nan 0.000 0.447 411 V N 5.358 125.063 119.914 -0.348 0.000 2.487 411 V HA 0.727 4.842 4.120 -0.008 0.000 0.298 411 V C -0.909 174.973 176.094 -0.354 0.000 1.028 411 V CA -0.299 61.873 62.300 -0.214 0.000 0.860 411 V CB 1.452 33.192 31.823 -0.137 0.000 0.991 411 V HN 0.785 nan 8.190 nan 0.000 0.427 412 S N 3.364 118.998 115.700 -0.110 0.000 2.533 412 S HA 0.513 4.978 4.470 -0.008 0.000 0.271 412 S C -0.187 174.422 174.600 0.016 0.000 1.143 412 S CA -0.700 57.471 58.200 -0.048 0.000 0.891 412 S CB 1.716 64.954 63.200 0.062 0.000 1.105 412 S HN 0.718 nan 8.310 nan 0.000 0.468 413 N N 1.213 119.917 118.700 0.006 0.000 2.721 413 N HA -0.191 4.544 4.740 -0.008 0.000 0.249 413 N C 1.058 176.576 175.510 0.013 0.000 1.072 413 N CA 1.731 54.790 53.050 0.015 0.000 0.710 413 N CB -1.569 36.937 38.487 0.031 0.000 0.993 413 N HN 2.039 nan 8.380 nan 0.000 0.547 414 G N -0.959 107.841 108.800 -0.001 0.000 2.168 414 G HA2 -0.341 3.615 3.960 -0.008 0.000 0.263 414 G HA3 -0.341 3.615 3.960 -0.008 0.000 0.263 414 G C -0.123 174.785 174.900 0.013 0.000 0.977 414 G CA 0.921 46.021 45.100 -0.000 0.000 0.659 414 G HN 0.615 nan 8.290 nan 0.000 0.533 415 E N -0.656 119.561 120.200 0.030 0.000 2.204 415 E HA 0.585 4.930 4.350 -0.008 0.000 0.276 415 E C -0.396 176.249 176.600 0.075 0.000 0.974 415 E CA -0.989 55.444 56.400 0.054 0.000 0.815 415 E CB 1.982 31.724 29.700 0.070 0.000 1.119 415 E HN 0.184 nan 8.360 nan 0.000 0.393 416 L N 2.262 123.542 121.223 0.094 0.000 2.255 416 L HA 0.305 4.641 4.340 -0.008 0.000 0.289 416 L C -0.702 176.291 176.870 0.205 0.000 1.046 416 L CA 0.171 55.099 54.840 0.148 0.000 0.816 416 L CB 1.109 43.247 42.059 0.130 0.000 1.197 416 L HN 0.328 nan 8.230 nan 0.000 0.427 417 S N 3.558 119.409 115.700 0.251 0.000 2.687 417 S HA 0.673 5.138 4.470 -0.008 0.000 0.283 417 S C -1.047 173.667 174.600 0.191 0.000 1.170 417 S CA -0.558 57.770 58.200 0.213 0.000 1.008 417 S CB 1.433 64.754 63.200 0.202 0.000 1.026 417 S HN 0.830 nan 8.310 nan 0.000 0.541 418 C N 3.127 122.452 119.300 0.041 0.000 2.701 418 C HA 0.757 5.212 4.460 -0.008 0.000 0.336 418 C C -0.825 174.060 174.990 -0.176 0.000 1.123 418 C CA -0.728 58.176 59.018 -0.191 0.000 1.326 418 C CB 0.561 28.150 27.740 -0.250 0.000 1.833 418 C HN 0.964 nan 8.230 nan 0.000 0.473 419 M N 6.372 125.818 119.600 -0.256 0.000 2.294 419 M HA 0.776 5.251 4.480 -0.008 0.000 0.335 419 M C -1.421 174.708 176.300 -0.284 0.000 1.079 419 M CA -0.336 54.842 55.300 -0.203 0.000 0.982 419 M CB 1.444 33.953 32.600 -0.152 0.000 1.651 419 M HN 0.735 nan 8.290 nan 0.000 0.437 420 L N 5.621 126.665 121.223 -0.299 0.000 2.341 420 L HA 0.596 4.932 4.340 -0.008 0.000 0.278 420 L C -2.251 174.453 176.870 -0.276 0.000 1.005 420 L CA -0.331 54.234 54.840 -0.458 0.000 0.818 420 L CB 1.587 43.147 42.059 -0.832 0.000 1.259 420 L HN 0.776 nan 8.230 nan 0.000 0.418 421 Y N 3.806 123.930 120.300 -0.294 0.000 2.331 421 Y HA 0.569 5.114 4.550 -0.008 0.000 0.338 421 Y C -0.632 175.217 175.900 -0.085 0.000 0.992 421 Y CA -0.104 57.901 58.100 -0.158 0.000 1.121 421 Y CB 1.275 39.654 38.460 -0.136 0.000 1.184 421 Y HN 0.778 nan 8.280 nan 0.000 0.469 422 Q N 6.320 125.832 119.800 -0.479 0.000 2.309 422 Q HA 0.302 4.638 4.340 -0.008 0.000 0.270 422 Q C 0.266 176.110 176.000 -0.260 0.000 1.023 422 Q CA -0.773 54.941 55.803 -0.148 0.000 0.758 422 Q CB 1.160 29.924 28.738 0.043 0.000 1.247 422 Q HN 0.963 nan 8.270 nan 0.000 0.455 423 R N 1.180 121.681 120.500 0.002 0.000 2.193 423 R HA 0.180 4.515 4.340 -0.008 0.000 0.213 423 R C 0.258 176.628 176.300 0.116 0.000 1.055 423 R CA 0.408 56.550 56.100 0.071 0.000 0.995 423 R CB 0.401 30.767 30.300 0.109 0.000 0.893 423 R HN 0.259 nan 8.270 nan 0.000 0.459 424 S N -0.151 115.644 115.700 0.160 0.000 2.619 424 S HA 0.455 4.921 4.470 -0.008 0.000 0.280 424 S C -1.505 173.243 174.600 0.247 0.000 1.150 424 S CA -0.819 57.527 58.200 0.244 0.000 0.978 424 S CB 1.629 64.988 63.200 0.266 0.000 1.041 424 S HN 0.341 nan 8.310 nan 0.000 0.485 425 C N 3.999 123.413 119.300 0.190 0.000 2.653 425 C HA 0.399 4.854 4.460 -0.008 0.000 0.291 425 C C -0.259 174.466 174.990 -0.441 0.000 1.064 425 C CA -1.224 57.783 59.018 -0.019 0.000 1.469 425 C CB -0.361 27.365 27.740 -0.024 0.000 1.861 425 C HN 0.908 nan 8.230 nan 0.000 0.434 426 D N 3.090 123.269 120.400 -0.369 0.000 2.349 426 D HA 0.104 4.739 4.640 -0.008 0.000 0.266 426 D C 1.266 177.488 176.300 -0.129 0.000 1.293 426 D CA -0.068 53.690 54.000 -0.404 0.000 0.926 426 D CB 0.651 41.498 40.800 0.079 0.000 1.090 426 D HN 0.334 nan 8.370 nan 0.000 0.502 427 M N 2.980 122.485 119.600 -0.158 0.000 2.213 427 M HA -0.004 4.472 4.480 -0.008 0.000 0.263 427 M C 1.901 178.292 176.300 0.151 0.000 1.062 427 M CA 1.051 56.353 55.300 0.003 0.000 1.105 427 M CB -0.912 31.637 32.600 -0.084 0.000 1.385 427 M HN 0.525 nan 8.290 nan 0.000 0.417 428 G N -1.759 107.117 108.800 0.127 0.000 3.042 428 G HA2 0.257 4.212 3.960 -0.008 0.000 0.212 428 G HA3 0.257 4.212 3.960 -0.008 0.000 0.212 428 G C 1.286 176.258 174.900 0.119 0.000 1.166 428 G CA 0.218 45.399 45.100 0.135 0.000 0.767 428 G HN 0.409 nan 8.290 nan 0.000 0.546 429 L N -2.014 119.292 121.223 0.138 0.000 2.024 429 L HA 0.404 4.740 4.340 -0.008 0.000 0.137 429 L C 2.429 179.390 176.870 0.151 0.000 1.357 429 L CA 1.216 56.135 54.840 0.131 0.000 1.059 429 L CB -0.571 41.550 42.059 0.105 0.000 2.165 429 L HN -0.010 nan 8.230 nan 0.000 0.478 430 G N 0.004 108.878 108.800 0.124 0.000 2.442 430 G HA2 -0.154 3.801 3.960 -0.008 0.000 0.219 430 G HA3 -0.154 3.801 3.960 -0.008 0.000 0.219 430 G C 1.299 176.320 174.900 0.201 0.000 1.141 430 G CA 1.420 46.599 45.100 0.131 0.000 0.763 430 G HN 0.252 nan 8.290 nan 0.000 0.554 431 V N 1.884 121.902 119.914 0.174 0.000 2.283 431 V HA -0.073 4.042 4.120 -0.008 0.000 0.243 431 V C 0.234 176.424 176.094 0.159 0.000 1.039 431 V CA 2.058 64.472 62.300 0.189 0.000 1.016 431 V CB -1.005 30.898 31.823 0.134 0.000 0.650 431 V HN 0.271 nan 8.190 nan 0.000 0.449 432 P HA -0.162 nan 4.420 nan 0.000 0.219 432 P C 1.622 178.945 177.300 0.038 0.000 1.146 432 P CA 1.362 64.443 63.100 -0.032 0.000 0.808 432 P CB -0.098 31.572 31.700 -0.051 0.000 0.779 433 F N 0.649 120.605 119.950 0.010 0.000 2.146 433 F HA -0.130 4.392 4.527 -0.008 0.000 0.298 433 F C 1.850 177.655 175.800 0.009 0.000 1.096 433 F CA 1.497 59.506 58.000 0.015 0.000 1.275 433 F CB -0.492 38.530 39.000 0.035 0.000 1.008 433 F HN -0.151 nan 8.300 nan 0.000 0.480 434 N N 0.603 119.487 118.700 0.307 0.000 2.270 434 N HA -0.084 4.651 4.740 -0.008 0.000 0.181 434 N C 2.059 177.643 175.510 0.123 0.000 1.016 434 N CA 1.370 54.548 53.050 0.214 0.000 0.870 434 N CB -0.379 38.215 38.487 0.179 0.000 0.979 434 N HN 0.339 nan 8.380 nan 0.000 0.431 435 I N 1.238 121.846 120.570 0.063 0.000 2.163 435 I HA -0.275 3.890 4.170 -0.008 0.000 0.243 435 I C 2.284 178.316 176.117 -0.142 0.000 1.085 435 I CA 1.257 62.503 61.300 -0.090 0.000 1.347 435 I CB -0.281 37.505 38.000 -0.357 0.000 1.044 435 I HN 0.067 nan 8.210 nan 0.000 0.408 436 A N -0.184 122.545 122.820 -0.152 0.000 1.930 436 A HA -0.163 4.153 4.320 -0.008 0.000 0.217 436 A C 2.478 180.044 177.584 -0.030 0.000 1.175 436 A CA 1.946 53.912 52.037 -0.117 0.000 0.627 436 A CB -0.641 18.282 19.000 -0.129 0.000 0.815 436 A HN 0.374 nan 8.150 nan 0.000 0.443 437 S N -1.239 114.435 115.700 -0.043 0.000 2.359 437 S HA -0.166 4.299 4.470 -0.008 0.000 0.224 437 S C 1.788 176.395 174.600 0.012 0.000 1.035 437 S CA 1.713 59.904 58.200 -0.015 0.000 1.018 437 S CB -0.538 62.709 63.200 0.078 0.000 0.876 437 S HN 0.677 nan 8.310 nan 0.000 0.448 438 Y N 1.366 121.677 120.300 0.019 0.000 2.457 438 Y HA 0.183 4.729 4.550 -0.008 0.000 0.292 438 Y C 2.413 178.341 175.900 0.046 0.000 1.125 438 Y CA 0.187 58.316 58.100 0.049 0.000 1.254 438 Y CB -0.622 37.823 38.460 -0.026 0.000 1.012 438 Y HN 0.252 nan 8.280 nan 0.000 0.555 439 A N 0.154 123.043 122.820 0.115 0.000 1.858 439 A HA -0.175 4.141 4.320 -0.008 0.000 0.216 439 A C 2.259 179.901 177.584 0.096 0.000 1.190 439 A CA 1.433 53.505 52.037 0.058 0.000 0.617 439 A CB -1.050 17.916 19.000 -0.057 0.000 0.827 439 A HN 0.476 nan 8.150 nan 0.000 0.443 440 L N -1.003 120.292 121.223 0.119 0.000 2.012 440 L HA -0.205 4.130 4.340 -0.008 0.000 0.210 440 L C 2.570 179.515 176.870 0.126 0.000 1.073 440 L CA 1.954 56.892 54.840 0.163 0.000 0.748 440 L CB -0.328 41.816 42.059 0.142 0.000 0.891 440 L HN 0.500 nan 8.230 nan 0.000 0.431 441 L N -0.397 120.881 121.223 0.092 0.000 1.970 441 L HA -0.249 4.086 4.340 -0.008 0.000 0.212 441 L C 2.439 179.411 176.870 0.170 0.000 1.071 441 L CA 2.602 57.504 54.840 0.103 0.000 0.751 441 L CB -1.010 41.067 42.059 0.031 0.000 0.889 441 L HN 0.222 nan 8.230 nan 0.000 0.432 442 T N 0.072 114.766 114.554 0.232 0.000 2.720 442 T HA -0.208 4.137 4.350 -0.008 0.000 0.268 442 T C 1.996 176.793 174.700 0.161 0.000 1.037 442 T CA 2.095 64.370 62.100 0.293 0.000 1.144 442 T CB -0.468 68.560 68.868 0.266 0.000 0.864 442 T HN 0.352 nan 8.240 nan 0.000 0.444 443 I N 0.558 121.201 120.570 0.123 0.000 2.226 443 I HA -0.147 4.018 4.170 -0.008 0.000 0.245 443 I C 2.288 178.400 176.117 -0.007 0.000 1.100 443 I CA 1.222 62.571 61.300 0.082 0.000 1.374 443 I CB -0.365 37.723 38.000 0.148 0.000 1.057 443 I HN 0.209 nan 8.210 nan 0.000 0.413 444 L N 0.006 121.228 121.223 -0.001 0.000 2.056 444 L HA -0.201 4.134 4.340 -0.008 0.000 0.207 444 L C 2.513 179.308 176.870 -0.125 0.000 1.078 444 L CA 0.970 55.738 54.840 -0.120 0.000 0.749 444 L CB -0.449 41.561 42.059 -0.082 0.000 0.901 444 L HN 0.227 nan 8.230 nan 0.000 0.433 445 I N 0.343 120.872 120.570 -0.068 0.000 2.252 445 I HA -0.224 3.941 4.170 -0.008 0.000 0.245 445 I C 2.892 178.936 176.117 -0.123 0.000 1.102 445 I CA 1.483 62.704 61.300 -0.132 0.000 1.385 445 I CB -1.559 36.297 38.000 -0.239 0.000 1.064 445 I HN 0.161 nan 8.210 nan 0.000 0.414 446 A N 1.130 123.911 122.820 -0.064 0.000 1.917 446 A HA -0.241 4.074 4.320 -0.008 0.000 0.219 446 A C 2.367 179.898 177.584 -0.089 0.000 1.182 446 A CA 1.771 53.778 52.037 -0.051 0.000 0.633 446 A CB -0.531 18.466 19.000 -0.005 0.000 0.819 446 A HN 0.396 nan 8.150 nan 0.000 0.448 447 K N -0.614 119.703 120.400 -0.139 0.000 2.097 447 K HA 0.013 4.328 4.320 -0.008 0.000 0.205 447 K C 2.273 178.796 176.600 -0.128 0.000 1.050 447 K CA 0.993 57.174 56.287 -0.177 0.000 0.938 447 K CB -0.293 32.011 32.500 -0.328 0.000 0.718 447 K HN 0.442 nan 8.250 nan 0.000 0.442 448 A N 1.323 124.072 122.820 -0.119 0.000 2.015 448 A HA -0.113 4.202 4.320 -0.008 0.000 0.219 448 A C 2.045 179.584 177.584 -0.076 0.000 1.163 448 A CA 1.958 53.947 52.037 -0.080 0.000 0.646 448 A CB -0.547 18.407 19.000 -0.077 0.000 0.806 448 A HN 0.447 nan 8.150 nan 0.000 0.448 449 T N -5.215 109.285 114.554 -0.089 0.000 3.054 449 T HA 0.436 4.782 4.350 -0.008 0.000 0.255 449 T C 1.211 175.873 174.700 -0.063 0.000 1.035 449 T CA 0.962 63.013 62.100 -0.080 0.000 0.941 449 T CB 0.344 69.151 68.868 -0.102 0.000 1.026 449 T HN 1.638 nan 8.240 nan 0.000 0.533 450 G N 1.303 110.066 108.800 -0.061 0.000 2.149 450 G HA2 -0.181 3.774 3.960 -0.008 0.000 0.235 450 G HA3 -0.181 3.774 3.960 -0.008 0.000 0.235 450 G C -0.222 174.655 174.900 -0.039 0.000 1.018 450 G CA 0.179 45.250 45.100 -0.049 0.000 0.728 450 G HN 0.611 nan 8.290 nan 0.000 0.508 451 L N -1.161 120.039 121.223 -0.039 0.000 2.304 451 L HA 0.735 5.071 4.340 -0.008 0.000 0.268 451 L C 1.087 177.950 176.870 -0.012 0.000 1.010 451 L CA -1.305 53.522 54.840 -0.021 0.000 0.813 451 L CB 1.150 43.199 42.059 -0.016 0.000 1.315 451 L HN 0.058 nan 8.230 nan 0.000 0.445 452 R N 0.634 121.138 120.500 0.007 0.000 2.404 452 R HA 0.370 4.705 4.340 -0.008 0.000 0.291 452 R C -2.400 173.925 176.300 0.042 0.000 1.025 452 R CA -1.666 54.447 56.100 0.021 0.000 0.991 452 R CB 1.147 31.463 30.300 0.028 0.000 1.053 452 R HN 0.246 nan 8.270 nan 0.000 0.479 453 P HA 0.033 nan 4.420 nan 0.000 0.268 453 P C -0.348 177.001 177.300 0.083 0.000 1.205 453 P CA 0.101 63.246 63.100 0.076 0.000 0.771 453 P CB 1.098 32.844 31.700 0.078 0.000 0.858 454 G N 1.947 110.808 108.800 0.100 0.000 3.110 454 G HA2 0.220 4.175 3.960 -0.008 0.000 0.207 454 G HA3 0.220 4.175 3.960 -0.008 0.000 0.207 454 G C -0.592 174.364 174.900 0.092 0.000 1.841 454 G CA -0.080 45.078 45.100 0.097 0.000 0.751 454 G HN 0.457 nan 8.290 nan 0.000 0.771 455 E N -0.310 119.947 120.200 0.095 0.000 2.212 455 E HA 0.515 4.860 4.350 -0.008 0.000 0.270 455 E C -1.279 175.375 176.600 0.090 0.000 0.956 455 E CA -0.621 55.827 56.400 0.081 0.000 0.825 455 E CB 2.326 32.054 29.700 0.046 0.000 1.167 455 E HN 0.146 nan 8.360 nan 0.000 0.400 456 L N 3.772 125.065 121.223 0.117 0.000 2.319 456 L HA 0.420 4.756 4.340 -0.008 0.000 0.281 456 L C -1.407 175.547 176.870 0.140 0.000 1.005 456 L CA -0.670 54.245 54.840 0.125 0.000 0.828 456 L CB 1.299 43.455 42.059 0.162 0.000 1.227 456 L HN 0.327 nan 8.230 nan 0.000 0.415 457 V N 4.880 124.822 119.914 0.047 0.000 2.394 457 V HA 0.323 4.439 4.120 -0.008 0.000 0.282 457 V C -0.336 175.790 176.094 0.053 0.000 1.031 457 V CA -0.591 61.725 62.300 0.027 0.000 0.881 457 V CB 1.398 33.194 31.823 -0.045 0.000 0.982 457 V HN 0.730 nan 8.190 nan 0.000 0.451 458 H N 2.597 121.669 119.070 0.003 0.000 2.638 458 H HA 0.464 5.015 4.556 -0.008 0.000 0.317 458 H C -0.368 174.914 175.328 -0.076 0.000 1.006 458 H CA -0.428 55.610 56.048 -0.017 0.000 1.222 458 H CB 0.947 30.779 29.762 0.116 0.000 1.419 458 H HN 0.712 nan 8.280 nan 0.000 0.489 459 T N 6.286 120.906 114.554 0.110 0.000 2.799 459 T HA 0.282 4.627 4.350 -0.008 0.000 0.286 459 T C -0.524 174.092 174.700 -0.141 0.000 0.973 459 T CA -0.593 61.483 62.100 -0.040 0.000 1.035 459 T CB 0.616 69.445 68.868 -0.066 0.000 0.932 459 T HN 0.282 nan 8.240 nan 0.000 0.469 460 L N 2.492 123.597 121.223 -0.197 0.000 2.329 460 L HA 0.624 4.960 4.340 -0.008 0.000 0.279 460 L C 1.191 177.878 176.870 -0.304 0.000 1.014 460 L CA -0.240 54.465 54.840 -0.225 0.000 0.814 460 L CB 1.457 43.417 42.059 -0.166 0.000 1.257 460 L HN 0.796 nan 8.230 nan 0.000 0.424 461 G N 0.552 109.194 108.800 -0.263 0.000 2.542 461 G HA2 -0.056 3.900 3.960 -0.008 0.000 0.211 461 G HA3 -0.056 3.900 3.960 -0.008 0.000 0.211 461 G C -0.151 174.842 174.900 0.154 0.000 1.702 461 G CA 0.017 45.060 45.100 -0.095 0.000 0.935 461 G HN 0.581 nan 8.290 nan 0.000 0.509 462 D N 1.728 122.298 120.400 0.284 0.000 2.352 462 D HA 0.459 5.094 4.640 -0.008 0.000 0.245 462 D C -0.261 176.184 176.300 0.241 0.000 1.224 462 D CA -0.219 53.955 54.000 0.291 0.000 0.879 462 D CB 0.864 41.789 40.800 0.208 0.000 1.057 462 D HN 0.245 nan 8.370 nan 0.000 0.491 463 A N 5.577 128.486 122.820 0.148 0.000 2.249 463 A HA 0.501 4.817 4.320 -0.008 0.000 0.314 463 A C -0.340 177.274 177.584 0.049 0.000 1.290 463 A CA -0.636 51.421 52.037 0.034 0.000 0.893 463 A CB 0.560 19.532 19.000 -0.047 0.000 1.165 463 A HN 0.744 nan 8.150 nan 0.000 0.530 464 H N -0.144 118.889 119.070 -0.063 0.000 2.928 464 H HA 0.774 5.325 4.556 -0.008 0.000 0.371 464 H C -1.879 173.377 175.328 -0.120 0.000 1.186 464 H CA -1.256 54.719 56.048 -0.122 0.000 1.134 464 H CB 1.302 30.941 29.762 -0.205 0.000 1.824 464 H HN 0.299 nan 8.280 nan 0.000 0.554 465 V N 2.270 122.155 119.914 -0.048 0.000 2.531 465 V HA 0.156 4.272 4.120 -0.008 0.000 0.301 465 V C -0.786 175.291 176.094 -0.028 0.000 1.034 465 V CA -0.788 61.504 62.300 -0.013 0.000 0.865 465 V CB 1.269 33.097 31.823 0.008 0.000 0.995 465 V HN 0.623 nan 8.190 nan 0.000 0.424 466 Y N 2.090 122.463 120.300 0.121 0.000 2.480 466 Y HA 0.039 4.586 4.550 -0.005 0.000 0.338 466 Y C 1.918 177.799 175.900 -0.030 0.000 1.220 466 Y CA 0.676 58.782 58.100 0.011 0.000 1.430 466 Y CB 0.968 39.362 38.460 -0.110 0.000 1.311 466 Y HN 0.690 nan 8.280 nan 0.000 0.575 467 S N 1.060 116.820 115.700 0.100 0.000 2.383 467 S HA -0.197 4.269 4.470 -0.008 0.000 0.227 467 S C 1.580 176.201 174.600 0.035 0.000 1.026 467 S CA 1.342 59.566 58.200 0.041 0.000 0.981 467 S CB -0.389 62.818 63.200 0.012 0.000 0.818 467 S HN 0.839 nan 8.310 nan 0.000 0.472 468 N N 0.484 119.176 118.700 -0.014 0.000 2.571 468 N HA -0.103 4.632 4.740 -0.008 0.000 0.189 468 N C 0.666 176.205 175.510 0.048 0.000 1.154 468 N CA 0.734 53.760 53.050 -0.040 0.000 0.907 468 N CB -0.280 38.136 38.487 -0.118 0.000 0.977 468 N HN 0.585 nan 8.380 nan 0.000 0.449 469 H N -0.787 118.338 119.070 0.092 0.000 2.652 469 H HA 0.217 4.768 4.556 -0.009 0.000 0.274 469 H C 1.632 176.993 175.328 0.055 0.000 1.021 469 H CA -0.458 55.637 56.048 0.079 0.000 1.187 469 H CB 0.917 30.748 29.762 0.115 0.000 1.505 469 H HN 0.008 nan 8.280 nan 0.000 0.530 470 V N 1.065 121.068 119.914 0.148 0.000 2.295 470 V HA -0.238 3.878 4.120 -0.008 0.000 0.246 470 V C 1.988 178.120 176.094 0.063 0.000 1.049 470 V CA 1.897 64.246 62.300 0.082 0.000 1.024 470 V CB -0.197 31.655 31.823 0.049 0.000 0.648 470 V HN 0.494 nan 8.190 nan 0.000 0.447 471 E N -0.217 120.023 120.200 0.065 0.000 2.017 471 E HA -0.186 4.159 4.350 -0.008 0.000 0.193 471 E C -0.002 176.625 176.600 0.046 0.000 0.997 471 E CA 1.677 58.106 56.400 0.048 0.000 0.804 471 E CB -1.237 28.490 29.700 0.046 0.000 0.757 471 E HN 0.519 nan 8.360 nan 0.000 0.448 472 P HA -0.196 nan 4.420 nan 0.000 0.216 472 P C 1.272 178.586 177.300 0.023 0.000 1.157 472 P CA 1.184 64.308 63.100 0.040 0.000 0.880 472 P CB -0.066 31.660 31.700 0.044 0.000 0.791 473 C N -1.367 117.955 119.300 0.036 0.000 2.413 473 C HA -0.117 4.338 4.460 -0.008 0.000 0.277 473 C C 2.519 177.510 174.990 0.002 0.000 1.265 473 C CA 1.111 60.140 59.018 0.019 0.000 1.752 473 C CB -2.020 25.736 27.740 0.028 0.000 1.998 473 C HN 0.290 nan 8.230 nan 0.000 0.489 474 N N 0.652 119.356 118.700 0.006 0.000 2.223 474 N HA -0.096 4.640 4.740 -0.008 0.000 0.185 474 N C 1.744 177.248 175.510 -0.009 0.000 1.016 474 N CA 1.070 54.118 53.050 -0.003 0.000 0.863 474 N CB -0.400 38.089 38.487 0.003 0.000 0.983 474 N HN 0.576 nan 8.380 nan 0.000 0.429 475 E N 0.602 120.799 120.200 -0.006 0.000 2.072 475 E HA -0.141 4.204 4.350 -0.008 0.000 0.190 475 E C 1.788 178.364 176.600 -0.042 0.000 0.982 475 E CA 0.437 56.827 56.400 -0.016 0.000 0.803 475 E CB -0.210 29.487 29.700 -0.005 0.000 0.755 475 E HN 0.518 nan 8.360 nan 0.000 0.453 476 Q N 0.561 120.338 119.800 -0.038 0.000 2.170 476 Q HA -0.092 4.243 4.340 -0.008 0.000 0.203 476 Q C 2.193 178.153 176.000 -0.066 0.000 0.976 476 Q CA 0.709 56.475 55.803 -0.062 0.000 0.858 476 Q CB 0.010 28.738 28.738 -0.017 0.000 0.907 476 Q HN 0.239 nan 8.270 nan 0.000 0.433 477 L N 0.222 121.420 121.223 -0.041 0.000 2.291 477 L HA -0.124 4.212 4.340 -0.008 0.000 0.214 477 L C 2.122 178.965 176.870 -0.046 0.000 1.120 477 L CA 0.836 55.653 54.840 -0.038 0.000 0.799 477 L CB -0.176 41.862 42.059 -0.035 0.000 0.925 477 L HN 0.143 nan 8.230 nan 0.000 0.446 478 K N 0.137 120.505 120.400 -0.053 0.000 2.288 478 K HA -0.032 4.283 4.320 -0.008 0.000 0.201 478 K C 0.639 177.194 176.600 -0.075 0.000 1.048 478 K CA 0.378 56.637 56.287 -0.047 0.000 0.956 478 K CB 0.014 32.494 32.500 -0.033 0.000 0.746 478 K HN 0.296 nan 8.250 nan 0.000 0.461 479 R N 1.421 121.828 120.500 -0.156 0.000 2.543 479 R HA 0.096 4.431 4.340 -0.008 0.000 0.277 479 R C -0.330 175.880 176.300 -0.150 0.000 1.074 479 R CA -0.288 55.638 56.100 -0.289 0.000 1.076 479 R CB 0.807 30.684 30.300 -0.705 0.000 0.993 479 R HN -0.133 nan 8.270 nan 0.000 0.459 480 V N 3.186 123.078 119.914 -0.036 0.000 2.383 480 V HA 0.272 4.388 4.120 -0.008 0.000 0.275 480 V C -2.084 174.091 176.094 0.134 0.000 1.036 480 V CA -2.496 59.839 62.300 0.058 0.000 0.889 480 V CB 0.983 32.863 31.823 0.095 0.000 0.985 480 V HN 0.667 nan 8.190 nan 0.000 0.459 481 P HA 0.368 nan 4.420 nan 0.000 0.271 481 P C -0.193 177.134 177.300 0.045 0.000 1.216 481 P CA -0.213 62.932 63.100 0.075 0.000 0.771 481 P CB 0.697 32.390 31.700 -0.012 0.000 0.864 482 R N 1.448 121.985 120.500 0.062 0.000 2.549 482 R HA 0.697 5.032 4.340 -0.008 0.000 0.259 482 R C 0.193 176.419 176.300 -0.124 0.000 1.095 482 R CA -0.911 55.181 56.100 -0.012 0.000 1.148 482 R CB 0.543 30.846 30.300 0.005 0.000 1.181 482 R HN 0.467 nan 8.270 nan 0.000 0.571 483 A N 1.061 123.818 122.820 -0.106 0.000 2.371 483 A HA 0.312 4.627 4.320 -0.008 0.000 0.257 483 A C -0.609 176.938 177.584 -0.063 0.000 1.089 483 A CA -0.290 51.652 52.037 -0.158 0.000 0.794 483 A CB 0.029 18.991 19.000 -0.062 0.000 1.029 483 A HN 0.408 nan 8.150 nan 0.000 0.488 484 F N 2.454 122.384 119.950 -0.034 0.000 2.506 484 F HA 0.285 4.807 4.527 -0.008 0.000 0.351 484 F C -1.079 174.621 175.800 -0.167 0.000 1.136 484 F CA -1.551 56.390 58.000 -0.098 0.000 1.298 484 F CB -0.064 38.834 39.000 -0.171 0.000 1.145 484 F HN 0.424 nan 8.300 nan 0.000 0.593 485 P HA 0.185 nan 4.420 nan 0.000 0.297 485 P C -1.483 175.637 177.300 -0.301 0.000 1.303 485 P CA -0.047 63.024 63.100 -0.049 0.000 0.753 485 P CB 0.785 32.438 31.700 -0.079 0.000 1.281 486 Y N -2.159 118.084 120.300 -0.095 0.000 2.545 486 Y HA 0.479 5.025 4.550 -0.008 0.000 0.348 486 Y C -0.133 175.658 175.900 -0.182 0.000 1.002 486 Y CA -0.966 57.074 58.100 -0.099 0.000 1.039 486 Y CB 1.864 40.311 38.460 -0.023 0.000 1.271 486 Y HN 0.059 nan 8.280 nan 0.000 0.467 487 L N 3.227 124.460 121.223 0.017 0.000 2.280 487 L HA 0.685 5.020 4.340 -0.008 0.000 0.287 487 L C -1.319 175.568 176.870 0.029 0.000 1.023 487 L CA -0.548 54.236 54.840 -0.093 0.000 0.819 487 L CB 0.832 42.813 42.059 -0.130 0.000 1.212 487 L HN 0.408 nan 8.230 nan 0.000 0.420 488 V N 5.588 125.475 119.914 -0.045 0.000 2.459 488 V HA 0.404 4.519 4.120 -0.008 0.000 0.295 488 V C -0.376 175.685 176.094 -0.056 0.000 1.029 488 V CA -0.488 61.835 62.300 0.039 0.000 0.874 488 V CB 1.338 33.180 31.823 0.033 0.000 0.985 488 V HN 0.452 nan 8.190 nan 0.000 0.438 489 F N 4.794 124.782 119.950 0.063 0.000 2.404 489 F HA 0.474 4.996 4.527 -0.007 0.000 0.358 489 F C 1.516 177.365 175.800 0.081 0.000 1.120 489 F CA -0.396 57.659 58.000 0.092 0.000 1.144 489 F CB 1.160 40.223 39.000 0.106 0.000 1.133 489 F HN 0.418 nan 8.300 nan 0.000 0.495 490 R N 2.200 122.800 120.500 0.167 0.000 2.140 490 R HA 0.113 4.448 4.340 -0.008 0.000 0.213 490 R C 0.368 176.748 176.300 0.133 0.000 1.059 490 R CA 0.377 56.548 56.100 0.118 0.000 1.000 490 R CB 0.102 30.442 30.300 0.066 0.000 0.910 490 R HN 0.622 nan 8.270 nan 0.000 0.455 491 R N 0.554 121.162 120.500 0.180 0.000 2.740 491 R HA 0.365 4.700 4.340 -0.008 0.000 0.273 491 R C -0.954 175.481 176.300 0.225 0.000 0.998 491 R CA -0.786 55.404 56.100 0.150 0.000 0.900 491 R CB 1.705 32.050 30.300 0.075 0.000 1.223 491 R HN -0.283 nan 8.270 nan 0.000 0.466 492 E N 1.589 121.863 120.200 0.125 0.000 2.232 492 E HA 0.493 4.838 4.350 -0.008 0.000 0.264 492 E C -0.491 176.027 176.600 -0.136 0.000 0.973 492 E CA -1.054 55.407 56.400 0.101 0.000 0.849 492 E CB 1.370 31.122 29.700 0.086 0.000 1.198 492 E HN 0.421 nan 8.360 nan 0.000 0.407 493 R N 0.820 121.128 120.500 -0.321 0.000 2.807 493 R HA 0.167 4.502 4.340 -0.008 0.000 0.276 493 R C 0.763 176.929 176.300 -0.223 0.000 0.979 493 R CA -0.716 55.152 56.100 -0.386 0.000 0.928 493 R CB 1.315 31.157 30.300 -0.762 0.000 1.191 493 R HN 0.563 nan 8.270 nan 0.000 0.471 494 E N 1.034 121.087 120.200 -0.244 0.000 2.153 494 E HA -0.061 4.285 4.350 -0.008 0.000 0.194 494 E C -0.545 175.655 176.600 -0.667 0.000 0.988 494 E CA 1.530 57.659 56.400 -0.451 0.000 0.811 494 E CB 0.128 29.514 29.700 -0.524 0.000 0.746 494 E HN 0.371 nan 8.360 nan 0.000 0.466 495 F N -1.039 118.904 119.950 -0.012 0.000 2.577 495 F HA 0.264 4.786 4.527 -0.008 0.000 0.318 495 F C 0.645 176.517 175.800 0.121 0.000 1.065 495 F CA -1.028 56.997 58.000 0.041 0.000 0.929 495 F CB 1.085 40.105 39.000 0.033 0.000 1.237 495 F HN -0.170 nan 8.300 nan 0.000 0.468 496 L N 1.390 122.834 121.223 0.368 0.000 2.017 496 L HA -0.103 4.232 4.340 -0.008 0.000 0.208 496 L C 1.834 178.934 176.870 0.383 0.000 1.073 496 L CA 2.103 57.166 54.840 0.371 0.000 0.745 496 L CB -0.639 41.537 42.059 0.196 0.000 0.894 496 L HN 0.661 nan 8.230 nan 0.000 0.432 497 E N -0.279 120.079 120.200 0.263 0.000 2.265 497 E HA -0.168 4.178 4.350 -0.008 0.000 0.196 497 E C 1.362 178.077 176.600 0.192 0.000 0.996 497 E CA 1.046 57.562 56.400 0.194 0.000 0.832 497 E CB -0.255 29.514 29.700 0.116 0.000 0.756 497 E HN 0.501 nan 8.360 nan 0.000 0.491 498 D N -0.654 119.863 120.400 0.194 0.000 2.363 498 D HA -0.044 4.591 4.640 -0.008 0.000 0.226 498 D C -0.497 175.810 176.300 0.012 0.000 1.020 498 D CA 0.266 54.321 54.000 0.091 0.000 0.892 498 D CB -0.149 40.694 40.800 0.071 0.000 0.900 498 D HN 0.218 nan 8.370 nan 0.000 0.531 499 Y N 1.340 121.712 120.300 0.120 0.000 2.359 499 Y HA 0.185 4.730 4.550 -0.008 0.000 0.330 499 Y C 1.035 176.990 175.900 0.092 0.000 1.143 499 Y CA 0.178 58.353 58.100 0.126 0.000 1.318 499 Y CB 0.759 39.319 38.460 0.167 0.000 1.234 499 Y HN -0.213 nan 8.280 nan 0.000 0.522 500 E N 1.328 121.658 120.200 0.216 0.000 2.277 500 E HA 0.098 4.443 4.350 -0.008 0.000 0.266 500 E C 0.444 177.104 176.600 0.100 0.000 0.901 500 E CA -0.780 55.690 56.400 0.118 0.000 0.782 500 E CB 1.636 31.376 29.700 0.066 0.000 1.228 500 E HN 0.608 nan 8.360 nan 0.000 0.424 501 E N 1.941 122.156 120.200 0.026 0.000 2.160 501 E HA -0.149 4.197 4.350 -0.008 0.000 0.195 501 E C 1.516 178.128 176.600 0.021 0.000 0.991 501 E CA 1.344 57.732 56.400 -0.020 0.000 0.810 501 E CB -0.128 29.511 29.700 -0.101 0.000 0.742 501 E HN 0.810 nan 8.360 nan 0.000 0.466 502 G N 0.389 109.207 108.800 0.030 0.000 2.679 502 G HA2 -0.180 3.776 3.960 -0.008 0.000 0.212 502 G HA3 -0.180 3.776 3.960 -0.008 0.000 0.212 502 G C 1.021 175.949 174.900 0.046 0.000 1.137 502 G CA 0.463 45.585 45.100 0.036 0.000 0.787 502 G HN 0.188 nan 8.290 nan 0.000 0.534 503 D N 0.119 120.562 120.400 0.071 0.000 2.323 503 D HA 0.081 4.717 4.640 -0.008 0.000 0.209 503 D C 1.500 177.821 176.300 0.034 0.000 0.973 503 D CA 0.444 54.508 54.000 0.106 0.000 0.874 503 D CB 0.156 41.097 40.800 0.236 0.000 0.930 503 D HN 0.486 nan 8.370 nan 0.000 0.521 504 M N -1.012 118.549 119.600 -0.066 0.000 2.530 504 M HA 0.575 5.051 4.480 -0.008 0.000 0.307 504 M C -0.916 175.321 176.300 -0.104 0.000 1.161 504 M CA -0.750 54.396 55.300 -0.258 0.000 0.903 504 M CB 3.289 35.529 32.600 -0.600 0.000 1.711 504 M HN -0.375 nan 8.290 nan 0.000 0.451 505 E N 1.562 121.682 120.200 -0.135 0.000 2.234 505 E HA 0.525 4.870 4.350 -0.008 0.000 0.266 505 E C -1.711 174.799 176.600 -0.151 0.000 0.877 505 E CA -0.807 55.547 56.400 -0.077 0.000 0.758 505 E CB 2.851 32.532 29.700 -0.031 0.000 1.170 505 E HN 0.682 nan 8.360 nan 0.000 0.415 506 V N 6.436 126.222 119.914 -0.214 0.000 2.372 506 V HA 0.205 4.320 4.120 -0.008 0.000 0.261 506 V C 0.238 176.260 176.094 -0.120 0.000 1.055 506 V CA -0.288 61.816 62.300 -0.327 0.000 0.930 506 V CB -0.140 31.290 31.823 -0.656 0.000 1.031 506 V HN 0.475 nan 8.190 nan 0.000 0.479 507 I N 1.535 122.080 120.570 -0.042 0.000 2.353 507 I HA 0.583 4.749 4.170 -0.008 0.000 0.293 507 I C 0.215 176.390 176.117 0.097 0.000 0.992 507 I CA -0.336 60.989 61.300 0.040 0.000 1.268 507 I CB 0.959 38.991 38.000 0.053 0.000 1.387 507 I HN 0.519 nan 8.210 nan 0.000 0.478 508 D N 3.170 123.628 120.400 0.097 0.000 2.775 508 D HA -0.261 4.375 4.640 -0.008 0.000 0.235 508 D C -0.904 175.493 176.300 0.161 0.000 1.120 508 D CA 0.790 54.858 54.000 0.114 0.000 0.708 508 D CB -0.956 39.923 40.800 0.132 0.000 1.084 508 D HN 0.687 nan 8.370 nan 0.000 0.434 509 Y N 1.001 121.292 120.300 -0.017 0.000 2.452 509 Y HA 0.438 4.983 4.550 -0.008 0.000 0.348 509 Y C -0.032 175.866 175.900 -0.004 0.000 0.985 509 Y CA -1.166 56.920 58.100 -0.023 0.000 1.214 509 Y CB 0.738 39.156 38.460 -0.070 0.000 1.136 509 Y HN 0.140 nan 8.280 nan 0.000 0.523 510 A N 9.576 132.285 122.820 -0.184 0.000 3.105 510 A HA 0.459 4.774 4.320 -0.008 0.000 0.336 510 A C -2.800 174.577 177.584 -0.345 0.000 1.042 510 A CA -1.389 50.493 52.037 -0.258 0.000 0.851 510 A CB -0.345 18.585 19.000 -0.117 0.000 1.068 510 A HN 0.533 nan 8.150 nan 0.000 0.477 511 P HA 0.278 nan 4.420 nan 0.000 0.276 511 P C -0.660 176.553 177.300 -0.145 0.000 1.252 511 P CA -0.197 62.713 63.100 -0.315 0.000 0.802 511 P CB 0.613 32.043 31.700 -0.449 0.000 1.035 512 Y N 0.449 120.705 120.300 -0.074 0.000 2.457 512 Y HA 0.163 4.708 4.550 -0.009 0.000 0.341 512 Y C -1.246 174.637 175.900 -0.028 0.000 1.240 512 Y CA -0.993 57.087 58.100 -0.032 0.000 1.437 512 Y CB -1.101 37.359 38.460 0.000 0.000 1.328 512 Y HN 0.330 nan 8.280 nan 0.000 0.588 513 P HA 0.042 nan 4.420 nan 0.000 0.270 513 P C -2.470 174.889 177.300 0.099 0.000 1.223 513 P CA -0.928 62.222 63.100 0.084 0.000 0.785 513 P CB -0.174 31.567 31.700 0.068 0.000 0.923 514 P HA 0.049 nan 4.420 nan 0.000 0.271 514 P C -1.103 176.223 177.300 0.043 0.000 1.218 514 P CA -0.152 62.977 63.100 0.048 0.000 0.780 514 P CB 0.621 32.339 31.700 0.030 0.000 0.901 515 I N 0.000 120.587 120.570 0.029 0.000 2.984 515 I HA 0.000 4.165 4.170 -0.008 0.000 0.288 515 I CA 0.000 61.312 61.300 0.021 0.000 1.566 515 I CB 0.000 38.004 38.000 0.006 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494