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 1sa0_1_C DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMXXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFSVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEXX XXXQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYEPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGV 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.240 176.300 -0.099 0.000 0.893 2 R CA 0.000 56.060 56.100 -0.066 0.000 0.921 2 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 3 E N -0.118 119.998 120.200 -0.139 0.000 3.099 3 E HA 0.456 4.806 4.350 0.000 0.000 0.259 3 E C -0.763 175.661 176.600 -0.293 0.000 1.274 3 E CA -0.215 56.072 56.400 -0.189 0.000 1.111 3 E CB 1.188 30.788 29.700 -0.168 0.000 1.327 3 E HN 0.304 nan 8.360 nan 0.000 0.652 4 C N 1.004 120.071 119.300 -0.388 0.000 3.087 4 C HA 0.291 4.751 4.460 0.000 0.000 0.386 4 C C -1.290 173.396 174.990 -0.506 0.000 1.013 4 C CA -0.495 58.199 59.018 -0.540 0.000 1.287 4 C CB -0.985 26.256 27.740 -0.831 0.000 1.615 4 C HN 0.546 nan 8.230 nan 0.000 0.536 5 I N 3.545 123.924 120.570 -0.317 0.000 2.496 5 I HA 0.276 4.446 4.170 0.000 0.000 0.285 5 I C 0.769 176.975 176.117 0.148 0.000 1.080 5 I CA 0.915 62.190 61.300 -0.043 0.000 1.404 5 I CB 1.332 39.409 38.000 0.128 0.000 1.403 5 I HN 0.531 nan 8.210 nan 0.000 0.539 6 S N 6.767 122.645 115.700 0.296 0.000 2.462 6 S HA 0.629 5.099 4.470 0.000 0.000 0.294 6 S C -0.307 174.540 174.600 0.412 0.000 1.144 6 S CA -0.482 58.005 58.200 0.477 0.000 1.088 6 S CB 0.696 64.443 63.200 0.911 0.000 1.009 6 S HN 0.307 nan 8.310 nan 0.000 0.484 7 I N 3.386 124.112 120.570 0.260 0.000 2.498 7 I HA 0.351 4.521 4.170 0.000 0.000 0.290 7 I C -1.171 174.994 176.117 0.081 0.000 1.032 7 I CA -0.687 60.750 61.300 0.229 0.000 1.073 7 I CB 1.673 39.749 38.000 0.127 0.000 1.251 7 I HN 0.624 nan 8.210 nan 0.000 0.426 8 H N 4.628 123.873 119.070 0.292 0.000 2.708 8 H HA 0.449 5.005 4.556 0.000 0.000 0.320 8 H C -0.710 174.655 175.328 0.061 0.000 0.991 8 H CA -0.530 55.581 56.048 0.105 0.000 1.243 8 H CB 1.991 31.518 29.762 -0.390 0.000 1.446 8 H HN 0.269 nan 8.280 nan 0.000 0.502 9 V N 3.449 123.493 119.914 0.217 0.000 2.417 9 V HA 0.801 4.921 4.120 0.000 0.000 0.291 9 V C 0.312 176.493 176.094 0.145 0.000 1.024 9 V CA 0.409 62.822 62.300 0.188 0.000 0.861 9 V CB 0.651 32.648 31.823 0.290 0.000 0.985 9 V HN 1.095 nan 8.190 nan 0.000 0.436 10 G N 4.723 113.559 108.800 0.061 0.000 2.892 10 G HA2 -0.235 3.725 3.960 0.000 0.000 0.686 10 G HA3 -0.235 3.725 3.960 0.000 0.000 0.686 10 G C 0.215 175.114 174.900 -0.001 0.000 1.244 10 G CA 0.953 46.072 45.100 0.032 0.000 0.947 10 G HN 1.813 nan 8.290 nan 0.000 0.584 11 Q N 1.575 121.353 119.800 -0.037 0.000 2.440 11 Q HA -0.373 3.967 4.340 0.000 0.000 0.228 11 Q C 2.860 178.784 176.000 -0.126 0.000 1.100 11 Q CA 4.725 60.478 55.803 -0.084 0.000 0.991 11 Q CB -0.801 27.886 28.738 -0.085 0.000 1.027 11 Q HN 2.192 nan 8.270 nan 0.000 0.528 12 A N -0.157 122.593 122.820 -0.117 0.000 1.859 12 A HA -0.155 4.165 4.320 0.000 0.000 0.217 12 A C 2.321 179.869 177.584 -0.061 0.000 1.198 12 A CA 2.461 54.421 52.037 -0.129 0.000 0.629 12 A CB -1.805 17.151 19.000 -0.073 0.000 0.830 12 A HN 0.777 nan 8.150 nan 0.000 0.446 13 G N -0.489 108.326 108.800 0.024 0.000 2.553 13 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 13 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 13 G C 1.559 176.429 174.900 -0.049 0.000 1.195 13 G CA 1.843 47.004 45.100 0.102 0.000 0.779 13 G HN 0.397 nan 8.290 nan 0.000 0.577 14 V N 0.465 120.272 119.914 -0.180 0.000 2.219 14 V HA -0.319 3.802 4.120 0.000 0.000 0.248 14 V C 2.843 178.695 176.094 -0.402 0.000 1.053 14 V CA 2.584 64.605 62.300 -0.465 0.000 1.009 14 V CB -0.896 30.744 31.823 -0.305 0.000 0.636 14 V HN 0.439 nan 8.190 nan 0.000 0.445 15 Q N -1.094 118.568 119.800 -0.231 0.000 2.181 15 Q HA -0.211 4.129 4.340 0.000 0.000 0.205 15 Q C 2.131 178.029 176.000 -0.169 0.000 0.980 15 Q CA 1.874 57.572 55.803 -0.174 0.000 0.862 15 Q CB -0.258 28.379 28.738 -0.169 0.000 0.905 15 Q HN 0.620 nan 8.270 nan 0.000 0.429 16 I N -0.503 119.962 120.570 -0.175 0.000 2.142 16 I HA -0.208 3.962 4.170 0.000 0.000 0.240 16 I C 2.148 178.090 176.117 -0.292 0.000 1.078 16 I CA 1.576 62.774 61.300 -0.170 0.000 1.343 16 I CB -0.470 37.481 38.000 -0.081 0.000 1.046 16 I HN 0.265 nan 8.210 nan 0.000 0.405 17 G N -0.318 108.239 108.800 -0.406 0.000 2.432 17 G HA2 -0.302 3.658 3.960 0.000 0.000 0.219 17 G HA3 -0.302 3.658 3.960 0.000 0.000 0.219 17 G C 1.529 176.312 174.900 -0.196 0.000 1.135 17 G CA 0.800 45.564 45.100 -0.559 0.000 0.767 17 G HN 0.306 nan 8.290 nan 0.000 0.550 18 N N 1.199 119.806 118.700 -0.154 0.000 2.149 18 N HA -0.064 4.676 4.740 0.000 0.000 0.188 18 N C 2.269 177.789 175.510 0.017 0.000 1.019 18 N CA 1.433 54.516 53.050 0.055 0.000 0.857 18 N CB -0.272 38.229 38.487 0.024 0.000 0.997 18 N HN 0.281 nan 8.380 nan 0.000 0.426 19 A N -0.672 122.102 122.820 -0.077 0.000 2.030 19 A HA 0.011 4.331 4.320 0.000 0.000 0.215 19 A C 2.302 179.777 177.584 -0.181 0.000 1.164 19 A CA 0.936 52.924 52.037 -0.082 0.000 0.697 19 A CB -0.447 18.509 19.000 -0.073 0.000 0.827 19 A HN 0.587 nan 8.150 nan 0.000 0.457 20 C N -4.600 114.496 119.300 -0.340 0.000 2.799 20 C HA 0.254 4.715 4.460 0.000 0.000 0.267 20 C C 1.907 176.335 174.990 -0.937 0.000 1.257 20 C CA -0.761 57.883 59.018 -0.623 0.000 1.702 20 C CB -2.231 25.057 27.740 -0.753 0.000 1.934 20 C HN 0.695 nan 8.230 nan 0.000 0.594 21 W N 2.419 123.422 121.300 -0.494 0.000 2.658 21 W HA 0.081 4.741 4.660 0.000 0.000 0.263 21 W C 2.596 179.001 176.519 -0.190 0.000 1.274 21 W CA 1.080 58.249 57.345 -0.294 0.000 1.343 21 W CB 0.097 29.515 29.460 -0.070 0.000 1.106 21 W HN 0.524 nan 8.180 nan 0.000 0.615 22 E N 0.194 120.355 120.200 -0.065 0.000 2.170 22 E HA -0.158 4.192 4.350 0.000 0.000 0.191 22 E C 1.931 178.546 176.600 0.025 0.000 0.981 22 E CA 0.863 57.200 56.400 -0.104 0.000 0.830 22 E CB -0.506 29.189 29.700 -0.008 0.000 0.775 22 E HN 0.259 nan 8.360 nan 0.000 0.470 23 L N 0.036 121.233 121.223 -0.044 0.000 2.179 23 L HA -0.009 4.331 4.340 0.000 0.000 0.208 23 L C 1.985 178.933 176.870 0.129 0.000 1.096 23 L CA 1.130 55.972 54.840 0.004 0.000 0.779 23 L CB -0.263 41.748 42.059 -0.079 0.000 0.922 23 L HN 0.228 nan 8.230 nan 0.000 0.443 24 Y N -1.932 118.376 120.300 0.014 0.000 2.089 24 Y HA -0.362 4.188 4.550 0.000 0.000 0.282 24 Y C 2.757 178.791 175.900 0.222 0.000 1.139 24 Y CA 0.990 59.148 58.100 0.096 0.000 1.123 24 Y CB -0.581 37.922 38.460 0.071 0.000 0.980 24 Y HN 0.244 nan 8.280 nan 0.000 0.493 25 C N -0.132 119.416 119.300 0.413 0.000 2.398 25 C HA -0.234 4.226 4.460 0.000 0.000 0.276 25 C C 2.658 177.759 174.990 0.184 0.000 1.222 25 C CA 0.810 59.989 59.018 0.269 0.000 1.746 25 C CB -1.307 26.562 27.740 0.216 0.000 2.039 25 C HN 0.463 nan 8.230 nan 0.000 0.470 26 L N 0.464 121.786 121.223 0.165 0.000 2.083 26 L HA -0.112 4.228 4.340 0.000 0.000 0.209 26 L C 2.376 179.299 176.870 0.088 0.000 1.083 26 L CA 1.700 56.613 54.840 0.121 0.000 0.752 26 L CB -0.927 41.197 42.059 0.109 0.000 0.899 26 L HN 0.394 nan 8.230 nan 0.000 0.433 27 E N -1.463 118.787 120.200 0.082 0.000 2.077 27 E HA -0.182 4.168 4.350 0.000 0.000 0.193 27 E C 1.568 178.111 176.600 -0.096 0.000 0.989 27 E CA 1.025 57.425 56.400 0.000 0.000 0.800 27 E CB 0.065 29.761 29.700 -0.007 0.000 0.746 27 E HN 0.554 nan 8.360 nan 0.000 0.452 28 H N -1.278 117.835 119.070 0.072 0.000 2.551 28 H HA 0.197 4.753 4.556 0.000 0.000 0.271 28 H C 0.445 175.748 175.328 -0.040 0.000 0.984 28 H CA 0.643 56.677 56.048 -0.024 0.000 1.164 28 H CB 0.714 30.352 29.762 -0.207 0.000 1.437 28 H HN 0.228 nan 8.280 nan 0.000 0.550 29 G N 1.988 110.842 108.800 0.090 0.000 2.354 29 G HA2 -0.263 3.697 3.960 0.000 0.000 0.278 29 G HA3 -0.263 3.697 3.960 0.000 0.000 0.278 29 G C -0.287 174.647 174.900 0.056 0.000 0.953 29 G CA -0.005 45.138 45.100 0.072 0.000 1.346 29 G HN 0.358 nan 8.290 nan 0.000 0.467 30 I N 1.082 121.692 120.570 0.067 0.000 2.437 30 I HA 0.545 4.715 4.170 0.000 0.000 0.279 30 I C 0.753 176.945 176.117 0.125 0.000 1.028 30 I CA -0.226 61.114 61.300 0.068 0.000 1.142 30 I CB 1.407 39.397 38.000 -0.017 0.000 1.266 30 I HN 0.641 nan 8.210 nan 0.000 0.461 31 Q N 8.635 128.503 119.800 0.113 0.000 2.239 31 Q HA 0.131 4.471 4.340 0.000 0.000 0.286 31 Q C -1.904 174.190 176.000 0.157 0.000 1.102 31 Q CA -0.970 54.906 55.803 0.121 0.000 0.936 31 Q CB -0.919 27.867 28.738 0.081 0.000 1.127 31 Q HN 0.480 nan 8.270 nan 0.000 0.380 32 P HA -0.409 nan 4.420 nan 0.000 0.224 32 P C 1.296 178.722 177.300 0.210 0.000 1.130 32 P CA 2.777 66.072 63.100 0.325 0.000 0.976 32 P CB -0.524 31.307 31.700 0.218 0.000 0.781 33 D N -1.134 119.338 120.400 0.119 0.000 2.370 33 D HA -0.229 4.411 4.640 0.000 0.000 0.190 33 D C 1.851 178.193 176.300 0.069 0.000 1.019 33 D CA 3.204 57.247 54.000 0.071 0.000 0.869 33 D CB -1.217 39.606 40.800 0.039 0.000 0.944 33 D HN 0.512 nan 8.370 nan 0.000 0.456 34 G N -3.169 105.673 108.800 0.070 0.000 4.103 34 G HA2 0.518 4.479 3.960 0.000 0.000 0.123 34 G HA3 0.518 4.479 3.960 0.000 0.000 0.123 34 G C 0.722 175.652 174.900 0.050 0.000 1.189 34 G CA 1.408 46.537 45.100 0.048 0.000 1.111 34 G HN 1.225 nan 8.290 nan 0.000 0.399 35 Q N 0.135 119.937 119.800 0.004 0.000 2.252 35 Q HA 0.890 5.231 4.340 0.000 0.000 0.256 35 Q C 0.116 176.179 176.000 0.106 0.000 1.020 35 Q CA -0.243 55.574 55.803 0.023 0.000 0.913 35 Q CB 0.669 29.298 28.738 -0.180 0.000 1.286 35 Q HN 0.797 nan 8.270 nan 0.000 0.480 48 S N -1.482 114.207 115.700 -0.019 0.000 3.140 48 S HA -0.102 4.368 4.470 0.000 0.000 0.283 48 S C 2.687 177.214 174.600 -0.121 0.000 1.462 48 S CA 4.245 62.429 58.200 -0.028 0.000 3.164 48 S CB -2.616 60.596 63.200 0.021 0.000 1.477 48 S HN 2.342 nan 8.310 nan 0.000 0.493 49 F N 1.629 121.459 119.950 -0.201 0.000 2.604 49 F HA 0.296 4.823 4.527 0.000 0.000 0.298 49 F C 2.100 177.795 175.800 -0.175 0.000 1.131 49 F CA 1.715 59.467 58.000 -0.413 0.000 1.457 49 F CB -1.308 37.387 39.000 -0.509 0.000 1.095 49 F HN 0.711 nan 8.300 nan 0.000 0.574 50 N N -0.246 118.408 118.700 -0.077 0.000 2.459 50 N HA -0.100 4.640 4.740 0.000 0.000 0.181 50 N C 1.764 177.290 175.510 0.028 0.000 1.046 50 N CA 1.239 54.292 53.050 0.006 0.000 0.904 50 N CB -0.236 38.246 38.487 -0.009 0.000 0.964 50 N HN 0.481 nan 8.380 nan 0.000 0.444 51 T N -0.622 113.948 114.554 0.026 0.000 2.803 51 T HA -0.129 4.221 4.350 0.000 0.000 0.269 51 T C 1.009 175.663 174.700 -0.076 0.000 1.052 51 T CA 1.177 63.280 62.100 0.005 0.000 1.136 51 T CB -0.188 68.745 68.868 0.108 0.000 0.864 51 T HN 0.226 nan 8.240 nan 0.000 0.467 52 F N -0.849 119.052 119.950 -0.083 0.000 2.727 52 F HA 0.445 4.972 4.527 0.000 0.000 0.302 52 F C 0.126 175.817 175.800 -0.182 0.000 1.107 52 F CA -0.971 56.955 58.000 -0.122 0.000 1.277 52 F CB 0.564 39.383 39.000 -0.301 0.000 1.079 52 F HN 0.016 nan 8.300 nan 0.000 0.594 53 F N -0.507 119.498 119.950 0.093 0.000 2.561 53 F HA 0.481 5.008 4.527 0.000 0.000 0.321 53 F C 0.206 176.004 175.800 -0.003 0.000 1.065 53 F CA -1.541 56.482 58.000 0.039 0.000 0.934 53 F CB 1.508 40.509 39.000 0.000 0.000 1.215 53 F HN -0.364 nan 8.300 nan 0.000 0.471 54 S N -0.468 115.340 115.700 0.179 0.000 2.594 54 S HA 0.520 4.990 4.470 0.000 0.000 0.322 54 S C -0.235 174.454 174.600 0.149 0.000 1.085 54 S CA -0.739 57.526 58.200 0.109 0.000 1.116 54 S CB 0.812 64.034 63.200 0.036 0.000 0.979 54 S HN 0.780 nan 8.310 nan 0.000 0.465 55 E N 2.066 122.363 120.200 0.162 0.000 2.030 55 E HA 0.390 4.740 4.350 0.000 0.000 0.267 55 E C 0.545 177.192 176.600 0.079 0.000 1.172 55 E CA 0.482 56.989 56.400 0.179 0.000 1.080 55 E CB -1.647 28.156 29.700 0.172 0.000 1.080 55 E HN 1.043 nan 8.360 nan 0.000 0.446 56 T N 0.460 115.056 114.554 0.070 0.000 2.889 56 T HA 0.665 5.015 4.350 0.000 0.000 0.291 56 T C 1.159 175.865 174.700 0.010 0.000 0.995 56 T CA 0.441 62.571 62.100 0.051 0.000 1.092 56 T CB 0.589 69.517 68.868 0.100 0.000 0.954 56 T HN 1.793 nan 8.240 nan 0.000 0.506 57 G N 0.343 109.152 108.800 0.015 0.000 2.804 57 G HA2 0.327 4.287 3.960 0.000 0.000 0.230 57 G HA3 0.327 4.287 3.960 0.000 0.000 0.230 57 G C 0.572 175.455 174.900 -0.028 0.000 1.386 57 G CA -0.051 45.045 45.100 -0.006 0.000 0.875 57 G HN 1.990 nan 8.290 nan 0.000 0.557 58 A N 0.195 122.995 122.820 -0.033 0.000 2.988 58 A HA 0.727 5.047 4.320 0.000 0.000 0.288 58 A C 1.423 178.967 177.584 -0.066 0.000 1.385 58 A CA 1.166 53.179 52.037 -0.041 0.000 1.001 58 A CB -0.760 18.225 19.000 -0.024 0.000 1.071 58 A HN 2.414 nan 8.150 nan 0.000 0.608 59 G N -0.744 107.992 108.800 -0.107 0.000 3.962 59 G HA2 0.152 4.112 3.960 0.000 0.000 0.147 59 G HA3 0.152 4.112 3.960 0.000 0.000 0.147 59 G C 0.338 175.083 174.900 -0.259 0.000 1.294 59 G CA -0.183 44.831 45.100 -0.144 0.000 1.011 59 G HN 0.343 nan 8.290 nan 0.000 0.432 60 K N 0.038 120.329 120.400 -0.181 0.000 2.508 60 K HA 0.091 4.411 4.320 0.000 0.000 0.273 60 K C 0.586 177.041 176.600 -0.242 0.000 0.964 60 K CA 0.289 56.481 56.287 -0.159 0.000 0.948 60 K CB 0.210 32.673 32.500 -0.062 0.000 0.917 60 K HN 0.406 nan 8.250 nan 0.000 0.512 61 H N 0.202 119.287 119.070 0.025 0.000 3.017 61 H HA 0.016 4.573 4.556 0.000 0.000 0.255 61 H C -0.301 175.128 175.328 0.169 0.000 0.990 61 H CA 0.494 56.563 56.048 0.035 0.000 1.205 61 H CB 0.239 29.946 29.762 -0.092 0.000 1.460 61 H HN 0.436 nan 8.280 nan 0.000 0.478 62 V N 2.767 122.830 119.914 0.248 0.000 3.738 62 V HA -0.193 3.927 4.120 0.000 0.000 0.430 62 V C -2.881 173.230 176.094 0.028 0.000 1.624 62 V CA -0.675 61.695 62.300 0.117 0.000 2.032 62 V CB 0.238 32.083 31.823 0.037 0.000 1.891 62 V HN 0.083 nan 8.190 nan 0.000 0.493 63 P HA 0.349 nan 4.420 nan 0.000 0.274 63 P C -0.488 176.416 177.300 -0.661 0.000 1.237 63 P CA -0.261 62.229 63.100 -1.017 0.000 0.793 63 P CB 0.380 30.806 31.700 -2.124 0.000 0.977 64 R N 1.138 121.372 120.500 -0.443 0.000 3.436 64 R HA 0.607 4.947 4.340 0.000 0.000 0.247 64 R C -0.340 175.894 176.300 -0.111 0.000 1.434 64 R CA -0.163 55.813 56.100 -0.207 0.000 1.543 64 R CB -0.002 30.223 30.300 -0.125 0.000 1.289 64 R HN 0.496 nan 8.270 nan 0.000 0.664 65 A N 0.659 123.319 122.820 -0.267 0.000 2.485 65 A HA 0.718 5.039 4.320 0.000 0.000 0.292 65 A C -0.914 176.687 177.584 0.028 0.000 1.147 65 A CA -0.710 51.313 52.037 -0.024 0.000 0.750 65 A CB 2.092 20.989 19.000 -0.173 0.000 1.331 65 A HN 0.232 nan 8.150 nan 0.000 0.419 66 V N -0.935 119.162 119.914 0.305 0.000 2.733 66 V HA 0.857 4.978 4.120 0.000 0.000 0.306 66 V C -2.047 174.438 176.094 0.652 0.000 1.084 66 V CA -0.719 61.769 62.300 0.314 0.000 0.905 66 V CB 1.387 33.332 31.823 0.204 0.000 1.010 66 V HN 0.695 nan 8.190 nan 0.000 0.424 67 F N 5.042 125.101 119.950 0.182 0.000 2.458 67 F HA 0.861 5.388 4.527 0.000 0.000 0.336 67 F C 0.105 175.961 175.800 0.093 0.000 1.114 67 F CA -1.149 56.951 58.000 0.166 0.000 0.987 67 F CB 2.193 41.252 39.000 0.099 0.000 1.130 67 F HN 0.635 nan 8.300 nan 0.000 0.458 68 V N 0.827 120.861 119.914 0.199 0.000 2.686 68 V HA 0.725 4.845 4.120 0.000 0.000 0.306 68 V C -1.230 174.838 176.094 -0.043 0.000 1.065 68 V CA -0.622 61.703 62.300 0.041 0.000 0.894 68 V CB 2.026 33.827 31.823 -0.036 0.000 1.004 68 V HN 0.607 nan 8.190 nan 0.000 0.424 69 D N 2.242 122.589 120.400 -0.088 0.000 2.661 69 D HA 0.594 5.234 4.640 0.000 0.000 0.228 69 D C -0.081 176.135 176.300 -0.139 0.000 1.183 69 D CA -0.592 53.347 54.000 -0.101 0.000 0.844 69 D CB 2.486 43.258 40.800 -0.047 0.000 1.555 69 D HN 0.310 nan 8.370 nan 0.000 0.453 70 L N 1.211 122.355 121.223 -0.132 0.000 2.591 70 L HA 0.241 4.581 4.340 0.000 0.000 0.228 70 L C 0.825 177.655 176.870 -0.067 0.000 1.133 70 L CA 0.526 55.294 54.840 -0.120 0.000 0.880 70 L CB -0.723 41.263 42.059 -0.122 0.000 1.033 70 L HN 0.475 nan 8.230 nan 0.000 0.450 71 E N -1.828 118.342 120.200 -0.051 0.000 2.343 71 E HA 0.363 4.713 4.350 0.000 0.000 0.270 71 E C -2.568 174.015 176.600 -0.029 0.000 0.895 71 E CA -1.848 54.532 56.400 -0.033 0.000 0.767 71 E CB 2.442 32.127 29.700 -0.025 0.000 1.248 71 E HN -0.221 nan 8.360 nan 0.000 0.440 72 P HA -0.125 nan 4.420 nan 0.000 0.203 72 P C 0.614 177.906 177.300 -0.014 0.000 1.202 72 P CA 2.220 65.311 63.100 -0.016 0.000 0.917 72 P CB -0.123 31.569 31.700 -0.013 0.000 0.750 73 T N -0.720 113.826 114.554 -0.013 0.000 10.555 73 T HA -0.328 4.022 4.350 0.000 0.000 0.353 73 T C 1.597 176.290 174.700 -0.013 0.000 1.522 73 T CA 2.956 65.049 62.100 -0.012 0.000 2.084 73 T CB -2.439 66.423 68.868 -0.010 0.000 2.477 73 T HN -0.046 nan 8.240 nan 0.000 0.766 74 V N 2.277 122.181 119.914 -0.017 0.000 2.255 74 V HA -0.172 3.948 4.120 0.000 0.000 0.247 74 V C 2.629 178.718 176.094 -0.009 0.000 1.051 74 V CA 2.299 64.587 62.300 -0.021 0.000 1.018 74 V CB -0.978 30.822 31.823 -0.037 0.000 0.641 74 V HN 0.535 nan 8.190 nan 0.000 0.445 75 I N 0.636 121.209 120.570 0.004 0.000 2.361 75 I HA -0.205 3.965 4.170 0.000 0.000 0.251 75 I C 2.264 178.375 176.117 -0.010 0.000 1.133 75 I CA 1.784 63.099 61.300 0.026 0.000 1.413 75 I CB -1.306 36.718 38.000 0.041 0.000 1.073 75 I HN 0.342 nan 8.210 nan 0.000 0.424 76 D N 1.008 121.399 120.400 -0.016 0.000 2.178 76 D HA -0.160 4.480 4.640 0.000 0.000 0.201 76 D C 2.131 178.411 176.300 -0.032 0.000 0.980 76 D CA 0.938 54.923 54.000 -0.025 0.000 0.842 76 D CB -0.040 40.749 40.800 -0.018 0.000 0.948 76 D HN 0.403 nan 8.370 nan 0.000 0.472 77 E N -0.069 120.115 120.200 -0.027 0.000 2.274 77 E HA -0.058 4.292 4.350 0.000 0.000 0.194 77 E C 2.137 178.711 176.600 -0.042 0.000 0.996 77 E CA 0.285 56.668 56.400 -0.028 0.000 0.840 77 E CB 0.351 30.041 29.700 -0.017 0.000 0.772 77 E HN 0.226 nan 8.360 nan 0.000 0.491 78 V N 1.509 121.389 119.914 -0.057 0.000 2.323 78 V HA -0.184 3.936 4.120 0.000 0.000 0.244 78 V C 1.989 177.990 176.094 -0.155 0.000 1.041 78 V CA 1.461 63.693 62.300 -0.114 0.000 1.025 78 V CB -0.488 31.243 31.823 -0.153 0.000 0.656 78 V HN 0.198 nan 8.190 nan 0.000 0.451 79 R N -0.167 120.256 120.500 -0.128 0.000 2.346 79 R HA 0.048 4.388 4.340 0.000 0.000 0.199 79 R C 1.608 177.862 176.300 -0.077 0.000 1.015 79 R CA 0.859 56.892 56.100 -0.111 0.000 1.058 79 R CB -0.391 29.860 30.300 -0.082 0.000 0.921 79 R HN 0.440 nan 8.270 nan 0.000 0.475 80 T N -0.105 114.407 114.554 -0.070 0.000 3.234 80 T HA 0.132 4.482 4.350 0.000 0.000 0.235 80 T C 1.030 175.692 174.700 -0.064 0.000 0.971 80 T CA 0.545 62.611 62.100 -0.056 0.000 1.292 80 T CB 0.027 68.870 68.868 -0.043 0.000 0.994 80 T HN 0.405 nan 8.240 nan 0.000 0.412 81 G N 2.516 111.275 108.800 -0.068 0.000 2.614 81 G HA2 0.360 4.320 3.960 0.000 0.000 0.239 81 G HA3 0.360 4.320 3.960 0.000 0.000 0.239 81 G C 0.011 174.831 174.900 -0.133 0.000 1.240 81 G CA -0.348 44.696 45.100 -0.093 0.000 0.842 81 G HN 0.468 nan 8.290 nan 0.000 0.584 82 T N -0.847 113.579 114.554 -0.214 0.000 2.934 82 T HA 0.055 4.406 4.350 0.000 0.000 0.321 82 T C 0.361 174.834 174.700 -0.379 0.000 1.080 82 T CA 0.986 62.910 62.100 -0.293 0.000 1.132 82 T CB 0.117 68.755 68.868 -0.384 0.000 1.039 82 T HN 0.891 nan 8.240 nan 0.000 0.543 83 Y N -1.858 118.433 120.300 -0.014 0.000 4.713 83 Y HA -0.258 4.293 4.550 0.000 0.000 0.305 83 Y C 2.023 177.866 175.900 -0.096 0.000 0.837 83 Y CA 0.184 58.280 58.100 -0.007 0.000 1.533 83 Y CB -1.273 37.175 38.460 -0.019 0.000 0.846 83 Y HN 0.659 nan 8.280 nan 0.000 0.422 84 R N 1.671 122.177 120.500 0.010 0.000 2.091 84 R HA -0.202 4.139 4.340 0.000 0.000 0.238 84 R C 1.590 177.878 176.300 -0.019 0.000 1.136 84 R CA 2.404 58.469 56.100 -0.057 0.000 0.959 84 R CB -0.097 30.169 30.300 -0.057 0.000 0.856 84 R HN 0.531 nan 8.270 nan 0.000 0.437 85 Q N 0.404 120.220 119.800 0.026 0.000 2.172 85 Q HA -0.137 4.204 4.340 0.000 0.000 0.200 85 Q C 2.230 178.279 176.000 0.082 0.000 0.964 85 Q CA 0.782 56.603 55.803 0.031 0.000 0.855 85 Q CB -0.253 28.502 28.738 0.028 0.000 0.918 85 Q HN 0.287 nan 8.270 nan 0.000 0.444 86 L N 0.303 121.639 121.223 0.188 0.000 2.089 86 L HA -0.118 4.222 4.340 0.000 0.000 0.213 86 L C 0.735 177.778 176.870 0.289 0.000 1.079 86 L CA 1.668 56.677 54.840 0.282 0.000 0.758 86 L CB -0.379 41.935 42.059 0.424 0.000 0.891 86 L HN -0.013 nan 8.230 nan 0.000 0.433 87 F N -2.282 117.589 119.950 -0.132 0.000 2.461 87 F HA 0.306 4.834 4.527 0.000 0.000 0.337 87 F C 0.607 176.325 175.800 -0.137 0.000 1.079 87 F CA -1.120 56.772 58.000 -0.179 0.000 1.032 87 F CB 0.395 39.227 39.000 -0.281 0.000 1.327 87 F HN -0.212 nan 8.300 nan 0.000 0.491 88 H N 1.124 120.234 119.070 0.066 0.000 2.496 88 H HA 0.192 4.748 4.556 0.000 0.000 0.342 88 H C -1.594 173.750 175.328 0.027 0.000 1.170 88 H CA -1.374 54.685 56.048 0.019 0.000 1.274 88 H CB 1.512 31.262 29.762 -0.020 0.000 1.538 88 H HN 0.120 nan 8.280 nan 0.000 0.542 89 P HA -0.113 nan 4.420 nan 0.000 0.221 89 P C 0.563 177.909 177.300 0.077 0.000 1.150 89 P CA 1.146 64.289 63.100 0.072 0.000 0.800 89 P CB 0.468 32.201 31.700 0.054 0.000 0.787 90 E N 0.371 120.633 120.200 0.103 0.000 2.106 90 E HA -0.171 4.179 4.350 0.000 0.000 0.192 90 E C 2.168 178.797 176.600 0.048 0.000 0.984 90 E CA 0.999 57.432 56.400 0.055 0.000 0.806 90 E CB -0.428 29.281 29.700 0.015 0.000 0.750 90 E HN 0.488 nan 8.360 nan 0.000 0.458 91 Q N 0.212 120.046 119.800 0.057 0.000 2.488 91 Q HA -0.032 4.309 4.340 0.000 0.000 0.211 91 Q C 0.200 176.245 176.000 0.075 0.000 0.967 91 Q CA 0.518 56.347 55.803 0.044 0.000 0.926 91 Q CB -0.035 28.692 28.738 -0.018 0.000 0.992 91 Q HN 0.259 nan 8.270 nan 0.000 0.506 92 L N 2.032 123.293 121.223 0.064 0.000 2.321 92 L HA 0.446 4.786 4.340 0.000 0.000 0.272 92 L C -0.689 176.220 176.870 0.064 0.000 1.050 92 L CA -0.676 54.205 54.840 0.067 0.000 0.893 92 L CB 0.573 42.630 42.059 -0.002 0.000 1.272 92 L HN 0.082 nan 8.230 nan 0.000 0.435 93 I N 2.064 122.684 120.570 0.083 0.000 2.385 93 I HA 0.430 4.600 4.170 0.000 0.000 0.294 93 I C 0.584 176.711 176.117 0.016 0.000 0.988 93 I CA 0.057 61.381 61.300 0.041 0.000 1.265 93 I CB 1.972 39.994 38.000 0.037 0.000 1.388 93 I HN 0.452 nan 8.210 nan 0.000 0.480 94 T N 2.011 116.560 114.554 -0.009 0.000 2.896 94 T HA 0.685 5.035 4.350 0.000 0.000 0.297 94 T C 0.160 174.834 174.700 -0.044 0.000 1.108 94 T CA -0.490 61.594 62.100 -0.026 0.000 1.004 94 T CB 1.814 70.675 68.868 -0.011 0.000 1.159 94 T HN 0.711 nan 8.240 nan 0.000 0.499 95 G N 1.276 110.042 108.800 -0.057 0.000 3.839 95 G HA2 0.315 4.275 3.960 0.000 0.000 0.286 95 G HA3 0.315 4.275 3.960 0.000 0.000 0.286 95 G C 0.624 175.501 174.900 -0.037 0.000 1.005 95 G CA 0.514 45.580 45.100 -0.057 0.000 0.824 95 G HN 1.114 nan 8.290 nan 0.000 0.489 96 K N -0.898 119.486 120.400 -0.027 0.000 10.031 96 K HA -0.263 4.057 4.320 0.000 0.000 0.514 96 K C -0.101 176.490 176.600 -0.015 0.000 0.374 96 K CA 1.850 58.127 56.287 -0.017 0.000 1.951 96 K CB -1.019 31.474 32.500 -0.011 0.000 0.736 96 K HN 0.298 nan 8.250 nan 0.000 1.121 97 E N 2.402 122.593 120.200 -0.016 0.000 2.227 97 E HA 0.170 4.520 4.350 0.000 0.000 0.282 97 E C -0.746 175.843 176.600 -0.017 0.000 1.015 97 E CA -0.227 56.166 56.400 -0.010 0.000 0.823 97 E CB 1.336 31.035 29.700 -0.002 0.000 1.081 97 E HN 0.289 nan 8.360 nan 0.000 0.396 98 D N 1.609 122.000 120.400 -0.014 0.000 2.357 98 D HA 0.121 4.761 4.640 0.000 0.000 0.242 98 D C 0.609 176.901 176.300 -0.013 0.000 1.153 98 D CA 0.066 54.055 54.000 -0.018 0.000 0.918 98 D CB 1.348 42.137 40.800 -0.018 0.000 1.181 98 D HN 0.446 nan 8.370 nan 0.000 0.435 99 A N 2.100 124.913 122.820 -0.012 0.000 2.067 99 A HA 0.218 4.538 4.320 0.000 0.000 0.219 99 A C 1.593 179.176 177.584 -0.002 0.000 1.158 99 A CA 1.930 53.970 52.037 0.004 0.000 0.661 99 A CB -0.473 18.538 19.000 0.018 0.000 0.801 99 A HN 1.162 nan 8.150 nan 0.000 0.452 100 A N -2.116 120.689 122.820 -0.025 0.000 3.661 100 A HA -0.293 4.027 4.320 0.000 0.000 0.269 100 A C 0.983 178.512 177.584 -0.091 0.000 1.056 100 A CA 1.507 53.505 52.037 -0.065 0.000 1.159 100 A CB -1.959 16.997 19.000 -0.072 0.000 1.105 100 A HN 1.232 nan 8.150 nan 0.000 0.907 101 N N -1.785 116.891 118.700 -0.041 0.000 3.031 101 N HA -0.163 4.577 4.740 0.000 0.000 0.232 101 N C -0.652 174.853 175.510 -0.008 0.000 0.958 101 N CA 1.383 54.415 53.050 -0.029 0.000 0.964 101 N CB -1.448 36.990 38.487 -0.082 0.000 1.086 101 N HN 1.550 nan 8.380 nan 0.000 0.558 102 N N -0.042 118.653 118.700 -0.008 0.000 2.519 102 N HA 0.072 4.812 4.740 0.000 0.000 0.286 102 N C 0.810 176.449 175.510 0.215 0.000 1.079 102 N CA -0.492 52.566 53.050 0.013 0.000 0.878 102 N CB 0.416 38.631 38.487 -0.453 0.000 1.375 102 N HN 0.125 nan 8.380 nan 0.000 0.514 103 Y N 3.965 124.437 120.300 0.287 0.000 2.100 103 Y HA -0.444 4.106 4.550 0.000 0.000 0.267 103 Y C 2.181 178.262 175.900 0.301 0.000 1.250 103 Y CA 3.500 61.768 58.100 0.280 0.000 1.105 103 Y CB -0.478 38.146 38.460 0.273 0.000 0.924 103 Y HN 0.710 nan 8.280 nan 0.000 0.508 104 A N -0.229 122.993 122.820 0.670 0.000 2.054 104 A HA -0.318 4.002 4.320 0.000 0.000 0.223 104 A C 2.234 180.058 177.584 0.401 0.000 1.169 104 A CA 2.271 54.694 52.037 0.643 0.000 0.655 104 A CB -0.845 18.545 19.000 0.650 0.000 0.812 104 A HN 0.662 nan 8.150 nan 0.000 0.462 105 R N -1.377 119.250 120.500 0.212 0.000 2.057 105 R HA 0.062 4.402 4.340 0.000 0.000 0.224 105 R C 2.404 178.764 176.300 0.100 0.000 1.136 105 R CA 1.156 57.343 56.100 0.146 0.000 0.968 105 R CB -0.656 29.693 30.300 0.082 0.000 0.863 105 R HN 0.424 nan 8.270 nan 0.000 0.433 106 G N -0.918 107.919 108.800 0.062 0.000 2.442 106 G HA2 -0.324 3.636 3.960 0.000 0.000 0.219 106 G HA3 -0.324 3.636 3.960 0.000 0.000 0.219 106 G C 1.224 176.116 174.900 -0.012 0.000 1.141 106 G CA 1.321 46.454 45.100 0.055 0.000 0.763 106 G HN 0.420 nan 8.290 nan 0.000 0.554 107 H N -1.540 117.304 119.070 -0.377 0.000 2.482 107 H HA 0.231 4.787 4.556 0.000 0.000 0.286 107 H C 1.465 176.463 175.328 -0.550 0.000 1.017 107 H CA 0.943 56.598 56.048 -0.656 0.000 1.322 107 H CB 0.219 29.179 29.762 -1.336 0.000 1.426 107 H HN 0.499 nan 8.280 nan 0.000 0.546 108 Y N -2.123 118.139 120.300 -0.064 0.000 3.131 108 Y HA 0.106 4.656 4.550 0.000 0.000 0.163 108 Y C 2.568 178.465 175.900 -0.005 0.000 0.886 108 Y CA 0.243 58.314 58.100 -0.049 0.000 1.800 108 Y CB -0.253 38.240 38.460 0.056 0.000 1.321 108 Y HN -0.092 nan 8.280 nan 0.000 0.387 109 T N 1.461 116.164 114.554 0.249 0.000 2.469 109 T HA -0.280 4.071 4.350 0.000 0.000 0.254 109 T C 1.731 176.489 174.700 0.097 0.000 1.214 109 T CA 2.368 64.555 62.100 0.144 0.000 1.202 109 T CB -0.655 68.293 68.868 0.134 0.000 0.864 109 T HN 0.196 nan 8.240 nan 0.000 0.408 110 I N 0.959 121.580 120.570 0.086 0.000 2.676 110 I HA 0.081 4.251 4.170 0.000 0.000 0.259 110 I C 2.293 178.447 176.117 0.061 0.000 1.194 110 I CA 0.735 62.069 61.300 0.057 0.000 1.473 110 I CB -0.581 37.443 38.000 0.039 0.000 1.096 110 I HN 0.330 nan 8.210 nan 0.000 0.443 111 G N -0.402 108.455 108.800 0.095 0.000 2.454 111 G HA2 -0.227 3.733 3.960 0.000 0.000 0.214 111 G HA3 -0.227 3.733 3.960 0.000 0.000 0.214 111 G C 1.710 176.699 174.900 0.148 0.000 1.217 111 G CA 0.455 45.668 45.100 0.189 0.000 0.799 111 G HN 0.201 nan 8.290 nan 0.000 0.538 112 K N 0.031 120.468 120.400 0.062 0.000 2.169 112 K HA -0.257 4.063 4.320 0.000 0.000 0.213 112 K C 2.313 178.946 176.600 0.054 0.000 1.050 112 K CA 1.940 58.248 56.287 0.036 0.000 0.935 112 K CB -0.108 32.413 32.500 0.035 0.000 0.722 112 K HN 0.195 nan 8.250 nan 0.000 0.468 113 E N -0.047 120.187 120.200 0.057 0.000 2.150 113 E HA -0.130 4.220 4.350 0.000 0.000 0.193 113 E C 1.787 178.415 176.600 0.047 0.000 0.985 113 E CA 0.875 57.301 56.400 0.043 0.000 0.814 113 E CB -0.022 29.696 29.700 0.031 0.000 0.752 113 E HN 0.311 nan 8.360 nan 0.000 0.466 114 I N 0.152 120.765 120.570 0.071 0.000 4.070 114 I HA 0.012 4.182 4.170 0.000 0.000 0.328 114 I C 1.703 177.922 176.117 0.170 0.000 1.298 114 I CA -0.040 61.298 61.300 0.065 0.000 1.173 114 I CB 0.314 38.284 38.000 -0.050 0.000 1.051 114 I HN 0.007 nan 8.210 nan 0.000 0.409 115 I N 0.824 121.542 120.570 0.247 0.000 2.163 115 I HA -0.327 3.843 4.170 0.000 0.000 0.243 115 I C 1.619 177.796 176.117 0.101 0.000 1.085 115 I CA 1.934 63.364 61.300 0.218 0.000 1.347 115 I CB -0.416 37.612 38.000 0.048 0.000 1.044 115 I HN 0.245 nan 8.210 nan 0.000 0.408 116 D N 0.192 120.628 120.400 0.060 0.000 2.144 116 D HA -0.209 4.432 4.640 0.000 0.000 0.199 116 D C 1.911 178.236 176.300 0.042 0.000 0.984 116 D CA 0.760 54.779 54.000 0.032 0.000 0.834 116 D CB 0.021 40.832 40.800 0.019 0.000 0.955 116 D HN 0.156 nan 8.370 nan 0.000 0.465 117 L N -0.146 121.110 121.223 0.055 0.000 2.240 117 L HA -0.018 4.322 4.340 0.000 0.000 0.211 117 L C 1.781 178.690 176.870 0.065 0.000 1.106 117 L CA 1.072 55.941 54.840 0.049 0.000 0.793 117 L CB -0.095 41.987 42.059 0.038 0.000 0.927 117 L HN -0.037 nan 8.230 nan 0.000 0.446 118 V N -1.191 118.786 119.914 0.104 0.000 2.273 118 V HA -0.207 3.913 4.120 0.000 0.000 0.242 118 V C 2.388 178.537 176.094 0.091 0.000 1.035 118 V CA 1.290 63.667 62.300 0.128 0.000 1.013 118 V CB -0.576 31.399 31.823 0.254 0.000 0.652 118 V HN 0.313 nan 8.190 nan 0.000 0.452 119 L N 0.909 122.176 121.223 0.073 0.000 2.064 119 L HA -0.302 4.038 4.340 0.000 0.000 0.216 119 L C 2.373 179.273 176.870 0.050 0.000 1.077 119 L CA 2.627 57.488 54.840 0.034 0.000 0.766 119 L CB -0.706 41.352 42.059 -0.003 0.000 0.890 119 L HN 0.592 nan 8.230 nan 0.000 0.435 120 D N -1.287 119.139 120.400 0.043 0.000 2.149 120 D HA -0.192 4.449 4.640 0.000 0.000 0.201 120 D C 2.178 178.507 176.300 0.048 0.000 0.972 120 D CA 0.887 54.911 54.000 0.039 0.000 0.835 120 D CB 0.063 40.877 40.800 0.025 0.000 0.966 120 D HN 0.354 nan 8.370 nan 0.000 0.476 121 R N 0.540 121.069 120.500 0.049 0.000 2.115 121 R HA -0.024 4.316 4.340 0.000 0.000 0.226 121 R C 2.646 178.977 176.300 0.052 0.000 1.100 121 R CA 0.910 57.035 56.100 0.041 0.000 0.980 121 R CB -0.248 30.076 30.300 0.041 0.000 0.875 121 R HN 0.445 nan 8.270 nan 0.000 0.445 122 I N -1.515 119.099 120.570 0.074 0.000 2.493 122 I HA -0.150 4.020 4.170 0.000 0.000 0.254 122 I C 2.090 178.290 176.117 0.138 0.000 1.160 122 I CA 1.345 62.699 61.300 0.091 0.000 1.445 122 I CB -0.225 37.804 38.000 0.050 0.000 1.086 122 I HN -0.053 nan 8.210 nan 0.000 0.433 123 R N 1.607 122.202 120.500 0.158 0.000 2.193 123 R HA -0.026 4.314 4.340 0.000 0.000 0.213 123 R C 2.243 178.607 176.300 0.106 0.000 1.055 123 R CA 0.948 57.167 56.100 0.200 0.000 0.995 123 R CB -0.135 30.269 30.300 0.174 0.000 0.893 123 R HN 0.340 nan 8.270 nan 0.000 0.459 124 K N -0.335 120.101 120.400 0.060 0.000 2.217 124 K HA -0.006 4.314 4.320 0.000 0.000 0.202 124 K C 1.595 178.194 176.600 -0.002 0.000 1.051 124 K CA 0.754 57.051 56.287 0.017 0.000 0.952 124 K CB 0.129 32.625 32.500 -0.006 0.000 0.736 124 K HN 0.217 nan 8.250 nan 0.000 0.453 125 L N -0.375 120.856 121.223 0.012 0.000 2.127 125 L HA -0.007 4.333 4.340 0.000 0.000 0.203 125 L C 2.145 179.011 176.870 -0.007 0.000 1.080 125 L CA 0.694 55.528 54.840 -0.011 0.000 0.768 125 L CB -0.192 41.867 42.059 0.000 0.000 0.924 125 L HN 0.136 nan 8.230 nan 0.000 0.444 126 A N -0.904 121.933 122.820 0.029 0.000 2.209 126 A HA -0.183 4.137 4.320 0.000 0.000 0.212 126 A C 1.544 179.139 177.584 0.018 0.000 1.158 126 A CA 1.371 53.413 52.037 0.008 0.000 0.742 126 A CB -0.397 18.634 19.000 0.051 0.000 0.790 126 A HN 0.326 nan 8.150 nan 0.000 0.472 127 D N -0.081 120.333 120.400 0.025 0.000 2.277 127 D HA -0.056 4.584 4.640 0.000 0.000 0.208 127 D C 1.272 177.571 176.300 -0.002 0.000 0.962 127 D CA 0.904 54.915 54.000 0.019 0.000 0.865 127 D CB 0.050 40.861 40.800 0.020 0.000 0.939 127 D HN 0.709 nan 8.370 nan 0.000 0.510 128 Q N 0.302 120.093 119.800 -0.015 0.000 2.923 128 Q HA 0.321 4.661 4.340 0.000 0.000 0.363 128 Q C -0.935 175.047 176.000 -0.029 0.000 1.159 128 Q CA -0.196 55.596 55.803 -0.019 0.000 1.073 128 Q CB -0.071 28.653 28.738 -0.022 0.000 1.364 128 Q HN 0.025 nan 8.270 nan 0.000 0.466 129 C N 1.666 120.947 119.300 -0.031 0.000 3.220 129 C HA 0.200 4.660 4.460 0.000 0.000 0.352 129 C C 0.350 175.314 174.990 -0.043 0.000 1.031 129 C CA -0.774 58.214 59.018 -0.050 0.000 1.338 129 C CB 0.844 28.535 27.740 -0.082 0.000 1.763 129 C HN 0.641 nan 8.230 nan 0.000 0.548 130 T N -0.229 114.305 114.554 -0.034 0.000 2.933 130 T HA 0.449 4.800 4.350 0.000 0.000 0.263 130 T C 0.949 175.628 174.700 -0.036 0.000 0.925 130 T CA 0.831 62.915 62.100 -0.026 0.000 1.156 130 T CB -0.012 68.845 68.868 -0.018 0.000 0.916 130 T HN 1.908 nan 8.240 nan 0.000 0.601 131 G N 2.381 111.158 108.800 -0.039 0.000 2.734 131 G HA2 -0.098 3.862 3.960 0.000 0.000 0.277 131 G HA3 -0.098 3.862 3.960 0.000 0.000 0.277 131 G C -0.294 174.557 174.900 -0.083 0.000 1.099 131 G CA -0.435 44.637 45.100 -0.048 0.000 1.218 131 G HN 0.968 nan 8.290 nan 0.000 0.554 132 L N -0.033 121.125 121.223 -0.109 0.000 2.483 132 L HA 0.453 4.793 4.340 0.000 0.000 0.277 132 L C 1.510 178.256 176.870 -0.207 0.000 1.248 132 L CA 1.426 56.152 54.840 -0.190 0.000 0.825 132 L CB 0.719 42.623 42.059 -0.258 0.000 1.096 132 L HN 0.571 nan 8.230 nan 0.000 0.512 133 Q N 0.603 120.235 119.800 -0.281 0.000 2.548 133 Q HA 0.395 4.736 4.340 0.000 0.000 0.230 133 Q C 0.118 175.935 176.000 -0.305 0.000 0.899 133 Q CA 0.390 56.048 55.803 -0.241 0.000 0.936 133 Q CB 0.799 29.410 28.738 -0.210 0.000 1.114 133 Q HN 0.952 nan 8.270 nan 0.000 0.606 134 G N -0.692 107.820 108.800 -0.481 0.000 2.315 134 G HA2 0.323 4.283 3.960 0.000 0.000 0.294 134 G HA3 0.323 4.283 3.960 0.000 0.000 0.294 134 G C -1.855 172.629 174.900 -0.693 0.000 1.300 134 G CA -0.905 43.865 45.100 -0.549 0.000 0.843 134 G HN 0.080 nan 8.290 nan 0.000 0.527 135 F N 0.434 120.307 119.950 -0.129 0.000 2.508 135 F HA 0.694 5.221 4.527 0.000 0.000 0.325 135 F C 0.614 176.383 175.800 -0.052 0.000 1.090 135 F CA -0.778 57.160 58.000 -0.103 0.000 0.945 135 F CB 2.726 41.664 39.000 -0.103 0.000 1.156 135 F HN 0.270 nan 8.300 nan 0.000 0.463 136 S N 2.048 117.852 115.700 0.173 0.000 2.422 136 S HA 0.603 5.073 4.470 0.000 0.000 0.308 136 S C -0.644 173.971 174.600 0.025 0.000 1.097 136 S CA -0.627 57.636 58.200 0.105 0.000 1.099 136 S CB 1.107 64.412 63.200 0.175 0.000 0.976 136 S HN 0.330 nan 8.310 nan 0.000 0.471 137 V N 5.064 124.939 119.914 -0.065 0.000 2.448 137 V HA 0.514 4.634 4.120 0.000 0.000 0.295 137 V C -1.040 174.994 176.094 -0.099 0.000 1.025 137 V CA -0.663 61.616 62.300 -0.035 0.000 0.859 137 V CB 0.875 32.698 31.823 -0.001 0.000 0.988 137 V HN 0.738 nan 8.190 nan 0.000 0.431 138 F N 5.376 125.370 119.950 0.074 0.000 2.411 138 F HA 0.717 5.244 4.527 0.000 0.000 0.352 138 F C 0.361 176.304 175.800 0.237 0.000 1.123 138 F CA -0.364 57.731 58.000 0.159 0.000 1.044 138 F CB 1.125 40.134 39.000 0.015 0.000 1.135 138 F HN 0.714 nan 8.300 nan 0.000 0.461 139 H N -0.874 118.324 119.070 0.214 0.000 3.042 139 H HA 0.500 5.056 4.556 0.000 0.000 0.346 139 H C -1.428 173.972 175.328 0.120 0.000 1.294 139 H CA -1.281 54.862 56.048 0.158 0.000 1.141 139 H CB 0.793 30.649 29.762 0.157 0.000 1.872 139 H HN 0.432 nan 8.280 nan 0.000 0.541 140 S N 1.066 116.788 115.700 0.036 0.000 2.592 140 S HA 0.221 4.692 4.470 0.000 0.000 0.271 140 S C 1.072 175.705 174.600 0.055 0.000 1.326 140 S CA -0.689 57.506 58.200 -0.009 0.000 1.024 140 S CB 0.881 64.126 63.200 0.075 0.000 0.921 140 S HN 0.570 nan 8.310 nan 0.000 0.527 141 F N 0.953 120.882 119.950 -0.036 0.000 2.104 141 F HA 0.173 4.700 4.527 0.000 0.000 0.288 141 F C 1.917 177.765 175.800 0.082 0.000 1.107 141 F CA 0.327 58.343 58.000 0.026 0.000 1.208 141 F CB -0.289 38.719 39.000 0.014 0.000 1.033 141 F HN 0.740 nan 8.300 nan 0.000 0.478 142 G N -0.748 108.197 108.800 0.243 0.000 2.522 142 G HA2 0.466 4.427 3.960 0.000 0.000 0.304 142 G HA3 0.466 4.427 3.960 0.000 0.000 0.304 142 G C -0.727 174.267 174.900 0.157 0.000 1.210 142 G CA 0.159 45.350 45.100 0.151 0.000 0.960 142 G HN 0.629 nan 8.290 nan 0.000 0.497 143 G N -1.937 106.945 108.800 0.135 0.000 2.885 143 G HA2 0.407 4.367 3.960 0.000 0.000 0.685 143 G HA3 0.407 4.367 3.960 0.000 0.000 0.685 143 G C 0.842 175.829 174.900 0.144 0.000 1.216 143 G CA 0.031 45.200 45.100 0.115 0.000 0.790 143 G HN 1.597 nan 8.290 nan 0.000 0.631 144 G N 0.633 109.493 108.800 0.101 0.000 2.900 144 G HA2 0.009 3.969 3.960 0.000 0.000 0.212 144 G HA3 0.009 3.969 3.960 0.000 0.000 0.212 144 G C 2.096 177.075 174.900 0.131 0.000 1.359 144 G CA 3.099 48.258 45.100 0.099 0.000 0.800 144 G HN 2.237 nan 8.290 nan 0.000 0.680 145 T N -0.706 113.913 114.554 0.108 0.000 3.067 145 T HA 0.225 4.575 4.350 0.000 0.000 0.261 145 T C 2.352 177.179 174.700 0.212 0.000 1.110 145 T CA 1.472 63.654 62.100 0.138 0.000 1.113 145 T CB -0.316 68.582 68.868 0.050 0.000 0.917 145 T HN 0.391 nan 8.240 nan 0.000 0.499 146 G N 1.330 110.256 108.800 0.210 0.000 2.440 146 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 146 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 146 G C 1.925 177.068 174.900 0.406 0.000 1.154 146 G CA 1.307 46.583 45.100 0.293 0.000 0.767 146 G HN 0.695 nan 8.290 nan 0.000 0.552 147 S N 0.475 116.391 115.700 0.361 0.000 2.371 147 S HA 0.171 4.641 4.470 0.000 0.000 0.219 147 S C 2.429 177.232 174.600 0.338 0.000 1.040 147 S CA 1.057 59.514 58.200 0.429 0.000 0.958 147 S CB -0.823 62.642 63.200 0.441 0.000 0.860 147 S HN 0.433 nan 8.310 nan 0.000 0.487 148 G N 1.393 110.300 108.800 0.178 0.000 2.575 148 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 148 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 148 G C 1.216 176.085 174.900 -0.052 0.000 1.262 148 G CA 0.752 45.740 45.100 -0.187 0.000 0.807 148 G HN 0.411 nan 8.290 nan 0.000 0.567 149 F N 1.921 121.835 119.950 -0.059 0.000 2.091 149 F HA -0.168 4.360 4.527 0.000 0.000 0.299 149 F C 3.055 178.837 175.800 -0.030 0.000 1.103 149 F CA 2.295 60.267 58.000 -0.046 0.000 1.228 149 F CB -0.406 38.582 39.000 -0.020 0.000 0.984 149 F HN 0.159 nan 8.300 nan 0.000 0.477 150 T N -0.873 113.718 114.554 0.061 0.000 2.570 150 T HA -0.328 4.022 4.350 0.000 0.000 0.266 150 T C 2.154 176.757 174.700 -0.161 0.000 1.071 150 T CA 1.890 63.934 62.100 -0.094 0.000 1.172 150 T CB -1.007 67.784 68.868 -0.129 0.000 0.864 150 T HN 0.349 nan 8.240 nan 0.000 0.421 151 S N 0.674 116.345 115.700 -0.049 0.000 2.381 151 S HA -0.165 4.305 4.470 0.000 0.000 0.230 151 S C 1.976 176.561 174.600 -0.025 0.000 1.052 151 S CA 1.573 59.769 58.200 -0.007 0.000 1.068 151 S CB -0.558 62.668 63.200 0.043 0.000 0.918 151 S HN 0.360 nan 8.310 nan 0.000 0.448 152 L N 1.283 122.477 121.223 -0.048 0.000 2.093 152 L HA 0.093 4.433 4.340 0.000 0.000 0.208 152 L C 2.165 178.823 176.870 -0.354 0.000 1.085 152 L CA 1.487 56.209 54.840 -0.196 0.000 0.755 152 L CB -0.546 41.255 42.059 -0.431 0.000 0.904 152 L HN 0.393 nan 8.230 nan 0.000 0.435 153 L N -0.985 119.930 121.223 -0.513 0.000 1.989 153 L HA -0.255 4.086 4.340 0.000 0.000 0.211 153 L C 2.537 179.220 176.870 -0.312 0.000 1.071 153 L CA 2.015 56.569 54.840 -0.476 0.000 0.749 153 L CB -0.308 41.462 42.059 -0.481 0.000 0.890 153 L HN 0.366 nan 8.230 nan 0.000 0.431 154 M N -0.511 118.934 119.600 -0.260 0.000 2.108 154 M HA -0.227 4.253 4.480 0.000 0.000 0.261 154 M C 1.996 178.076 176.300 -0.366 0.000 1.066 154 M CA 1.591 56.755 55.300 -0.226 0.000 1.107 154 M CB -1.094 31.433 32.600 -0.122 0.000 1.356 154 M HN 0.341 nan 8.290 nan 0.000 0.406 155 E N 0.373 120.355 120.200 -0.364 0.000 2.038 155 E HA -0.190 4.160 4.350 0.000 0.000 0.195 155 E C 2.124 178.493 176.600 -0.384 0.000 1.000 155 E CA 1.140 57.231 56.400 -0.515 0.000 0.803 155 E CB -0.386 29.217 29.700 -0.162 0.000 0.750 155 E HN 0.580 nan 8.360 nan 0.000 0.448 156 R N 0.456 120.801 120.500 -0.258 0.000 2.148 156 R HA 0.017 4.357 4.340 0.000 0.000 0.223 156 R C 2.586 178.790 176.300 -0.160 0.000 1.088 156 R CA 0.448 56.433 56.100 -0.193 0.000 0.985 156 R CB -0.267 29.928 30.300 -0.174 0.000 0.880 156 R HN 0.182 nan 8.270 nan 0.000 0.451 157 L N 0.383 121.511 121.223 -0.159 0.000 2.131 157 L HA -0.142 4.198 4.340 0.000 0.000 0.210 157 L C 2.147 179.047 176.870 0.050 0.000 1.092 157 L CA 1.097 55.922 54.840 -0.024 0.000 0.759 157 L CB -0.201 41.775 42.059 -0.137 0.000 0.903 157 L HN 0.120 nan 8.230 nan 0.000 0.435 158 S N -0.930 114.713 115.700 -0.095 0.000 2.423 158 S HA -0.099 4.372 4.470 0.000 0.000 0.231 158 S C 1.925 176.497 174.600 -0.047 0.000 1.014 158 S CA 0.806 58.971 58.200 -0.060 0.000 0.965 158 S CB 0.047 63.131 63.200 -0.193 0.000 0.785 158 S HN 0.184 nan 8.310 nan 0.000 0.495 159 V N 1.986 121.841 119.914 -0.098 0.000 2.407 159 V HA -0.082 4.038 4.120 0.000 0.000 0.245 159 V C 1.827 177.841 176.094 -0.135 0.000 1.041 159 V CA 1.418 63.661 62.300 -0.093 0.000 1.040 159 V CB -0.406 31.357 31.823 -0.100 0.000 0.671 159 V HN 0.411 nan 8.190 nan 0.000 0.455 160 D N -1.266 118.998 120.400 -0.226 0.000 2.289 160 D HA -0.003 4.637 4.640 0.000 0.000 0.207 160 D C -0.011 175.877 176.300 -0.687 0.000 0.966 160 D CA 0.871 54.580 54.000 -0.484 0.000 0.868 160 D CB 0.239 40.645 40.800 -0.656 0.000 0.943 160 D HN 0.534 nan 8.370 nan 0.000 0.514 161 Y N 0.007 120.332 120.300 0.042 0.000 2.662 161 Y HA 0.353 4.903 4.550 0.000 0.000 0.358 161 Y C 1.528 177.458 175.900 0.049 0.000 1.041 161 Y CA -0.893 57.253 58.100 0.076 0.000 1.184 161 Y CB 1.327 39.906 38.460 0.197 0.000 1.114 161 Y HN -0.210 nan 8.280 nan 0.000 0.650 162 G N 2.325 111.187 108.800 0.104 0.000 2.812 162 G HA2 -0.351 3.609 3.960 0.000 0.000 0.218 162 G HA3 -0.351 3.609 3.960 0.000 0.000 0.218 162 G C 1.447 176.395 174.900 0.080 0.000 1.287 162 G CA 1.708 46.851 45.100 0.070 0.000 0.796 162 G HN 0.521 nan 8.290 nan 0.000 0.649 163 K N 0.846 121.286 120.400 0.067 0.000 1.965 163 K HA 0.040 4.360 4.320 0.000 0.000 0.214 163 K C 0.734 177.366 176.600 0.053 0.000 1.042 163 K CA 0.886 57.201 56.287 0.047 0.000 0.950 163 K CB -0.431 32.086 32.500 0.028 0.000 0.733 163 K HN 0.142 nan 8.250 nan 0.000 0.441 164 K N 2.660 123.085 120.400 0.041 0.000 2.382 164 K HA -0.130 4.190 4.320 0.000 0.000 0.244 164 K C -0.308 176.303 176.600 0.018 0.000 1.068 164 K CA 0.627 56.907 56.287 -0.011 0.000 1.150 164 K CB -0.904 31.557 32.500 -0.065 0.000 0.726 164 K HN 0.338 nan 8.250 nan 0.000 0.486 165 S N 3.180 118.867 115.700 -0.021 0.000 2.585 165 S HA 0.218 4.688 4.470 0.000 0.000 0.273 165 S C 0.072 174.698 174.600 0.044 0.000 1.339 165 S CA -0.650 57.556 58.200 0.010 0.000 1.028 165 S CB 1.167 64.363 63.200 -0.006 0.000 0.906 165 S HN 0.421 nan 8.310 nan 0.000 0.528 166 K N 0.999 121.438 120.400 0.064 0.000 2.450 166 K HA 0.451 4.771 4.320 0.000 0.000 0.257 166 K C -1.667 174.956 176.600 0.038 0.000 0.953 166 K CA -0.457 55.885 56.287 0.090 0.000 0.844 166 K CB 1.246 33.806 32.500 0.099 0.000 1.103 166 K HN 0.345 nan 8.250 nan 0.000 0.429 167 L N 3.940 125.188 121.223 0.042 0.000 2.294 167 L HA 0.212 4.552 4.340 0.000 0.000 0.283 167 L C -0.128 176.754 176.870 0.020 0.000 1.015 167 L CA -0.215 54.632 54.840 0.011 0.000 0.831 167 L CB 1.135 43.224 42.059 0.051 0.000 1.217 167 L HN 0.579 nan 8.230 nan 0.000 0.420 168 E N 2.580 122.772 120.200 -0.013 0.000 2.242 168 E HA 0.382 4.732 4.350 0.000 0.000 0.275 168 E C -1.257 175.338 176.600 -0.009 0.000 1.002 168 E CA -0.554 55.880 56.400 0.056 0.000 0.841 168 E CB 1.294 31.085 29.700 0.153 0.000 1.109 168 E HN 0.297 nan 8.360 nan 0.000 0.394 169 F N 1.995 121.911 119.950 -0.055 0.000 2.363 169 F HA 0.251 4.779 4.527 0.000 0.000 0.366 169 F C -0.415 175.356 175.800 -0.048 0.000 1.083 169 F CA -0.473 57.508 58.000 -0.032 0.000 1.176 169 F CB 1.549 40.395 39.000 -0.256 0.000 1.432 169 F HN 0.351 nan 8.300 nan 0.000 0.482 170 S N 3.290 118.954 115.700 -0.060 0.000 2.586 170 S HA 0.567 5.037 4.470 0.000 0.000 0.274 170 S C -0.270 174.101 174.600 -0.382 0.000 1.281 170 S CA -0.425 57.469 58.200 -0.511 0.000 1.035 170 S CB 1.330 63.944 63.200 -0.976 0.000 0.962 170 S HN 0.313 nan 8.310 nan 0.000 0.512 171 I N 2.956 123.290 120.570 -0.393 0.000 2.371 171 I HA 0.209 4.379 4.170 0.000 0.000 0.282 171 I C -0.603 175.517 176.117 0.005 0.000 1.031 171 I CA -0.400 60.834 61.300 -0.109 0.000 1.180 171 I CB 0.358 38.350 38.000 -0.013 0.000 1.336 171 I HN 0.607 nan 8.210 nan 0.000 0.467 172 Y N 9.947 130.228 120.300 -0.031 0.000 2.465 172 Y HA 0.341 4.891 4.550 0.000 0.000 0.331 172 Y C -2.171 173.796 175.900 0.111 0.000 1.102 172 Y CA -2.071 56.147 58.100 0.196 0.000 1.358 172 Y CB 0.482 39.010 38.460 0.113 0.000 1.213 172 Y HN 0.369 nan 8.280 nan 0.000 0.525 173 P HA 0.401 nan 4.420 nan 0.000 0.282 173 P C -1.703 175.543 177.300 -0.090 0.000 1.249 173 P CA -0.413 62.644 63.100 -0.071 0.000 0.806 173 P CB 1.584 33.223 31.700 -0.101 0.000 0.984 174 A N 3.782 126.590 122.820 -0.020 0.000 2.402 174 A HA 0.563 4.883 4.320 0.000 0.000 0.291 174 A C -1.896 175.643 177.584 -0.076 0.000 1.051 174 A CA -1.635 50.385 52.037 -0.028 0.000 0.716 174 A CB 0.799 19.806 19.000 0.012 0.000 1.223 174 A HN 0.232 nan 8.150 nan 0.000 0.425 175 P HA -0.394 nan 4.420 nan 0.000 0.230 175 P C 1.524 178.754 177.300 -0.118 0.000 1.124 175 P CA 2.588 65.635 63.100 -0.089 0.000 0.985 175 P CB 0.041 31.693 31.700 -0.079 0.000 0.774 176 Q N -0.530 119.151 119.800 -0.198 0.000 1.990 176 Q HA -0.060 4.281 4.340 0.000 0.000 0.200 176 Q C 1.241 177.109 176.000 -0.220 0.000 0.980 176 Q CA 1.454 57.095 55.803 -0.270 0.000 0.832 176 Q CB -1.455 26.966 28.738 -0.529 0.000 0.897 176 Q HN 0.148 nan 8.270 nan 0.000 0.427 177 V N 3.004 122.785 119.914 -0.222 0.000 1.959 177 V HA 0.035 4.155 4.120 0.000 0.000 0.242 177 V C 0.293 176.360 176.094 -0.044 0.000 1.613 177 V CA -0.222 62.015 62.300 -0.104 0.000 1.566 177 V CB -1.257 30.552 31.823 -0.024 0.000 1.547 177 V HN 0.286 nan 8.190 nan 0.000 0.503 178 S N 2.371 118.035 115.700 -0.060 0.000 4.466 178 S HA -0.139 4.332 4.470 0.000 0.000 0.529 178 S C 1.024 175.632 174.600 0.014 0.000 1.031 178 S CA 1.095 59.279 58.200 -0.026 0.000 0.906 178 S CB 0.046 63.233 63.200 -0.022 0.000 1.279 178 S HN 1.084 nan 8.310 nan 0.000 0.417 179 T N 1.857 116.403 114.554 -0.013 0.000 2.850 179 T HA 0.891 5.241 4.350 0.000 0.000 0.269 179 T C -0.107 174.575 174.700 -0.030 0.000 1.075 179 T CA -0.306 61.785 62.100 -0.014 0.000 0.987 179 T CB 1.219 70.061 68.868 -0.043 0.000 1.889 179 T HN 1.147 nan 8.240 nan 0.000 0.584 180 A N -0.201 122.585 122.820 -0.057 0.000 2.486 180 A HA 0.662 4.982 4.320 0.000 0.000 0.300 180 A C 1.068 178.562 177.584 -0.149 0.000 1.048 180 A CA -0.698 51.285 52.037 -0.089 0.000 0.696 180 A CB 1.315 20.268 19.000 -0.079 0.000 1.278 180 A HN 0.688 nan 8.150 nan 0.000 0.405 181 V N 2.074 121.866 119.914 -0.203 0.000 2.277 181 V HA -0.296 3.824 4.120 0.000 0.000 0.255 181 V C 2.536 178.367 176.094 -0.439 0.000 1.074 181 V CA 2.894 65.006 62.300 -0.314 0.000 1.058 181 V CB -0.754 30.827 31.823 -0.404 0.000 0.656 181 V HN 1.313 nan 8.190 nan 0.000 0.449 182 V N -0.926 118.712 119.914 -0.460 0.000 3.217 182 V HA -0.112 4.009 4.120 0.000 0.000 0.264 182 V C 2.145 178.156 176.094 -0.139 0.000 1.135 182 V CA 2.025 64.096 62.300 -0.380 0.000 1.142 182 V CB -0.173 31.537 31.823 -0.189 0.000 0.754 182 V HN 0.608 nan 8.190 nan 0.000 0.484 183 E N 1.368 121.502 120.200 -0.110 0.000 2.095 183 E HA -0.224 4.126 4.350 0.000 0.000 0.212 183 E C -0.077 176.518 176.600 -0.007 0.000 1.044 183 E CA 3.164 59.544 56.400 -0.034 0.000 0.857 183 E CB -1.282 28.382 29.700 -0.060 0.000 0.764 183 E HN 0.566 nan 8.360 nan 0.000 0.462 184 P HA -0.187 nan 4.420 nan 0.000 0.217 184 P C 0.700 178.146 177.300 0.244 0.000 1.148 184 P CA 1.406 64.530 63.100 0.039 0.000 0.828 184 P CB -0.147 31.572 31.700 0.032 0.000 0.783 185 Y N -0.544 119.824 120.300 0.113 0.000 2.089 185 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 185 Y C 2.390 178.303 175.900 0.022 0.000 1.139 185 Y CA 0.333 58.513 58.100 0.132 0.000 1.123 185 Y CB -0.670 37.836 38.460 0.076 0.000 0.980 185 Y HN -0.050 nan 8.280 nan 0.000 0.493 186 N N 0.238 119.092 118.700 0.256 0.000 2.061 186 N HA -0.183 4.557 4.740 0.000 0.000 0.193 186 N C 1.840 177.378 175.510 0.047 0.000 1.030 186 N CA 1.836 54.997 53.050 0.184 0.000 0.856 186 N CB -0.638 38.005 38.487 0.260 0.000 1.023 186 N HN 0.270 nan 8.380 nan 0.000 0.424 187 S N 1.497 117.190 115.700 -0.012 0.000 2.353 187 S HA -0.081 4.390 4.470 0.000 0.000 0.222 187 S C 2.060 176.473 174.600 -0.313 0.000 1.035 187 S CA 0.784 58.845 58.200 -0.231 0.000 1.025 187 S CB -0.312 62.686 63.200 -0.337 0.000 0.902 187 S HN 0.183 nan 8.310 nan 0.000 0.440 188 I N 1.950 122.387 120.570 -0.222 0.000 2.163 188 I HA -0.134 4.036 4.170 0.000 0.000 0.243 188 I C 2.374 178.284 176.117 -0.346 0.000 1.085 188 I CA 1.093 62.203 61.300 -0.318 0.000 1.347 188 I CB -1.490 36.263 38.000 -0.413 0.000 1.044 188 I HN 0.260 nan 8.210 nan 0.000 0.408 189 L N -0.079 120.921 121.223 -0.372 0.000 1.971 189 L HA -0.305 4.035 4.340 0.000 0.000 0.215 189 L C 2.705 179.255 176.870 -0.533 0.000 1.072 189 L CA 2.266 56.739 54.840 -0.611 0.000 0.758 189 L CB -0.671 40.844 42.059 -0.907 0.000 0.889 189 L HN 0.274 nan 8.230 nan 0.000 0.433 190 T N -2.031 112.350 114.554 -0.289 0.000 2.708 190 T HA -0.241 4.109 4.350 0.000 0.000 0.266 190 T C 1.867 176.599 174.700 0.053 0.000 1.037 190 T CA 2.020 64.153 62.100 0.055 0.000 1.146 190 T CB -0.160 68.908 68.868 0.334 0.000 0.865 190 T HN 0.370 nan 8.240 nan 0.000 0.435 191 T N -0.015 114.548 114.554 0.015 0.000 2.946 191 T HA -0.201 4.149 4.350 0.000 0.000 0.271 191 T C 1.636 176.317 174.700 -0.032 0.000 1.104 191 T CA 2.071 64.193 62.100 0.037 0.000 1.114 191 T CB -0.444 68.329 68.868 -0.157 0.000 0.867 191 T HN 0.658 nan 8.240 nan 0.000 0.513 192 H N 0.984 119.936 119.070 -0.197 0.000 2.266 192 H HA 0.042 4.598 4.556 0.000 0.000 0.308 192 H C 2.386 177.635 175.328 -0.131 0.000 1.057 192 H CA 2.552 58.475 56.048 -0.208 0.000 1.330 192 H CB -0.807 28.790 29.762 -0.274 0.000 1.400 192 H HN 0.340 nan 8.280 nan 0.000 0.503 193 T N -1.417 112.821 114.554 -0.526 0.000 2.665 193 T HA -0.209 4.141 4.350 0.000 0.000 0.268 193 T C 2.123 176.709 174.700 -0.190 0.000 1.035 193 T CA 1.960 63.785 62.100 -0.458 0.000 1.151 193 T CB -1.071 67.662 68.868 -0.225 0.000 0.862 193 T HN 0.394 nan 8.240 nan 0.000 0.438 194 T N 1.372 115.898 114.554 -0.047 0.000 2.962 194 T HA 0.081 4.432 4.350 0.000 0.000 0.270 194 T C 1.810 176.545 174.700 0.058 0.000 1.088 194 T CA 0.706 62.846 62.100 0.068 0.000 1.127 194 T CB -0.520 68.428 68.868 0.134 0.000 0.883 194 T HN 0.361 nan 8.240 nan 0.000 0.493 195 L N 1.521 122.744 121.223 0.001 0.000 2.056 195 L HA -0.062 4.278 4.340 0.000 0.000 0.207 195 L C 2.242 179.068 176.870 -0.073 0.000 1.078 195 L CA 2.045 56.891 54.840 0.009 0.000 0.749 195 L CB -0.376 41.692 42.059 0.015 0.000 0.901 195 L HN 0.395 nan 8.230 nan 0.000 0.433 196 E N -2.442 117.642 120.200 -0.193 0.000 2.512 196 E HA -0.163 4.187 4.350 0.000 0.000 0.195 196 E C 0.947 177.384 176.600 -0.271 0.000 1.083 196 E CA 0.988 57.237 56.400 -0.251 0.000 0.873 196 E CB -0.300 29.211 29.700 -0.314 0.000 0.897 196 E HN 0.691 nan 8.360 nan 0.000 0.514 197 H N -1.166 117.885 119.070 -0.032 0.000 3.170 197 H HA 0.311 4.867 4.556 0.000 0.000 0.264 197 H C -0.007 175.312 175.328 -0.015 0.000 1.113 197 H CA -0.385 55.650 56.048 -0.023 0.000 1.194 197 H CB 1.195 30.939 29.762 -0.030 0.000 1.553 197 H HN -0.024 nan 8.280 nan 0.000 0.538 198 S N -0.287 115.461 115.700 0.079 0.000 2.654 198 S HA 0.078 4.548 4.470 0.000 0.000 0.283 198 S C 0.286 174.875 174.600 -0.020 0.000 1.180 198 S CA -0.493 57.724 58.200 0.029 0.000 1.021 198 S CB 1.355 64.565 63.200 0.016 0.000 1.018 198 S HN 0.257 nan 8.310 nan 0.000 0.532 199 D N 0.101 120.481 120.400 -0.034 0.000 2.394 199 D HA 0.196 4.836 4.640 0.000 0.000 0.226 199 D C 0.130 176.363 176.300 -0.111 0.000 0.990 199 D CA 0.481 54.452 54.000 -0.048 0.000 0.902 199 D CB 0.519 41.311 40.800 -0.013 0.000 1.038 199 D HN 0.468 nan 8.370 nan 0.000 0.499 200 C N 0.052 119.255 119.300 -0.162 0.000 3.113 200 C HA 0.837 5.297 4.460 0.000 0.000 0.376 200 C C -1.657 173.110 174.990 -0.372 0.000 1.077 200 C CA -0.614 58.231 59.018 -0.288 0.000 1.253 200 C CB 0.520 28.128 27.740 -0.219 0.000 1.637 200 C HN 0.188 nan 8.230 nan 0.000 0.535 201 A N 3.744 126.273 122.820 -0.486 0.000 2.414 201 A HA 0.888 5.209 4.320 0.000 0.000 0.306 201 A C -1.322 176.020 177.584 -0.404 0.000 1.054 201 A CA -0.432 51.409 52.037 -0.326 0.000 0.724 201 A CB 0.951 19.965 19.000 0.024 0.000 1.267 201 A HN 0.907 nan 8.150 nan 0.000 0.418 202 F N 1.854 121.694 119.950 -0.182 0.000 2.332 202 F HA 0.424 4.952 4.527 0.000 0.000 0.368 202 F C 0.519 176.265 175.800 -0.089 0.000 1.110 202 F CA -0.111 57.775 58.000 -0.190 0.000 1.087 202 F CB 1.517 40.191 39.000 -0.543 0.000 1.235 202 F HN 0.473 nan 8.300 nan 0.000 0.470 203 M N 3.345 123.034 119.600 0.150 0.000 2.235 203 M HA 0.439 4.920 4.480 0.000 0.000 0.351 203 M C -0.944 175.374 176.300 0.030 0.000 1.178 203 M CA -0.363 54.949 55.300 0.021 0.000 1.143 203 M CB 1.172 33.734 32.600 -0.064 0.000 1.530 203 M HN 0.205 nan 8.290 nan 0.000 0.461 204 V N 2.944 122.870 119.914 0.019 0.000 2.447 204 V HA 0.183 4.303 4.120 0.000 0.000 0.292 204 V C -0.678 175.460 176.094 0.074 0.000 1.021 204 V CA -0.950 61.384 62.300 0.056 0.000 0.850 204 V CB 1.659 33.544 31.823 0.104 0.000 1.005 204 V HN 0.694 nan 8.190 nan 0.000 0.426 205 D N 3.669 124.095 120.400 0.043 0.000 2.343 205 D HA 0.113 4.753 4.640 0.000 0.000 0.255 205 D C 1.094 177.468 176.300 0.123 0.000 1.187 205 D CA 0.375 54.438 54.000 0.105 0.000 0.875 205 D CB 0.867 41.651 40.800 -0.027 0.000 1.136 205 D HN 0.534 nan 8.370 nan 0.000 0.469 206 N N 2.708 121.503 118.700 0.158 0.000 2.364 206 N HA -0.163 4.577 4.740 0.000 0.000 0.183 206 N C 1.214 176.798 175.510 0.123 0.000 1.022 206 N CA 0.457 53.589 53.050 0.136 0.000 0.883 206 N CB 0.318 38.884 38.487 0.132 0.000 0.965 206 N HN 0.614 nan 8.380 nan 0.000 0.438 207 E N 0.744 121.002 120.200 0.095 0.000 2.107 207 E HA -0.051 4.299 4.350 0.000 0.000 0.191 207 E C 1.880 178.561 176.600 0.134 0.000 0.982 207 E CA 0.662 57.102 56.400 0.067 0.000 0.809 207 E CB 0.066 29.784 29.700 0.031 0.000 0.756 207 E HN 0.291 nan 8.360 nan 0.000 0.459 208 A N 0.995 123.872 122.820 0.095 0.000 1.930 208 A HA -0.117 4.203 4.320 0.000 0.000 0.217 208 A C 2.012 179.653 177.584 0.095 0.000 1.175 208 A CA 0.953 53.036 52.037 0.076 0.000 0.627 208 A CB -0.305 18.715 19.000 0.033 0.000 0.815 208 A HN 0.290 nan 8.150 nan 0.000 0.443 209 I N -1.527 119.109 120.570 0.110 0.000 2.406 209 I HA -0.135 4.035 4.170 0.000 0.000 0.249 209 I C 2.341 178.532 176.117 0.123 0.000 1.122 209 I CA 1.094 62.453 61.300 0.098 0.000 1.431 209 I CB -1.607 36.450 38.000 0.095 0.000 1.087 209 I HN 0.584 nan 8.210 nan 0.000 0.424 210 Y N 2.301 122.614 120.300 0.022 0.000 2.181 210 Y HA -0.271 4.279 4.550 0.000 0.000 0.288 210 Y C 2.144 178.048 175.900 0.007 0.000 1.146 210 Y CA 1.903 60.008 58.100 0.010 0.000 1.164 210 Y CB -0.462 38.002 38.460 0.007 0.000 0.982 210 Y HN 0.147 nan 8.280 nan 0.000 0.515 211 D N 0.254 120.789 120.400 0.225 0.000 2.104 211 D HA -0.198 4.442 4.640 0.000 0.000 0.194 211 D C 2.052 178.357 176.300 0.008 0.000 0.994 211 D CA 2.102 56.167 54.000 0.109 0.000 0.830 211 D CB -0.252 40.629 40.800 0.134 0.000 0.959 211 D HN 0.449 nan 8.370 nan 0.000 0.452 212 I N -0.215 120.368 120.570 0.022 0.000 2.394 212 I HA -0.233 3.937 4.170 0.000 0.000 0.251 212 I C 2.005 178.107 176.117 -0.024 0.000 1.136 212 I CA 0.579 61.884 61.300 0.008 0.000 1.425 212 I CB 0.050 38.067 38.000 0.028 0.000 1.079 212 I HN 0.159 nan 8.210 nan 0.000 0.425 213 C N 0.231 119.499 119.300 -0.054 0.000 2.437 213 C HA -0.046 4.414 4.460 0.000 0.000 0.283 213 C C 2.757 177.674 174.990 -0.122 0.000 1.424 213 C CA 0.642 59.610 59.018 -0.083 0.000 1.782 213 C CB -1.357 26.323 27.740 -0.100 0.000 1.833 213 C HN 0.414 nan 8.230 nan 0.000 0.532 214 R N 0.033 120.440 120.500 -0.154 0.000 2.051 214 R HA 0.053 4.393 4.340 0.000 0.000 0.218 214 R C 2.412 178.664 176.300 -0.080 0.000 1.188 214 R CA 0.439 56.446 56.100 -0.155 0.000 0.992 214 R CB -0.394 29.774 30.300 -0.220 0.000 0.883 214 R HN 0.321 nan 8.270 nan 0.000 0.444 215 R N 0.581 121.050 120.500 -0.052 0.000 2.159 215 R HA -0.059 4.281 4.340 0.000 0.000 0.237 215 R C 1.416 177.705 176.300 -0.018 0.000 1.131 215 R CA 1.464 57.549 56.100 -0.024 0.000 0.982 215 R CB 0.102 30.397 30.300 -0.007 0.000 0.868 215 R HN 0.299 nan 8.270 nan 0.000 0.453 216 N N -1.014 117.674 118.700 -0.020 0.000 2.591 216 N HA -0.042 4.698 4.740 0.000 0.000 0.200 216 N C 1.288 176.791 175.510 -0.013 0.000 1.040 216 N CA 0.387 53.431 53.050 -0.009 0.000 0.911 216 N CB -0.003 38.488 38.487 0.006 0.000 1.259 216 N HN 0.033 nan 8.380 nan 0.000 0.438 217 L N 1.671 122.881 121.223 -0.023 0.000 2.313 217 L HA 0.032 4.372 4.340 0.000 0.000 0.214 217 L C -0.088 176.763 176.870 -0.031 0.000 1.119 217 L CA 1.008 55.834 54.840 -0.024 0.000 0.809 217 L CB -0.799 41.243 42.059 -0.029 0.000 0.933 217 L HN 0.219 nan 8.230 nan 0.000 0.449 218 D N -0.073 120.301 120.400 -0.043 0.000 2.737 218 D HA -0.215 4.425 4.640 0.000 0.000 0.243 218 D C -0.390 175.877 176.300 -0.055 0.000 1.109 218 D CA 0.382 54.354 54.000 -0.046 0.000 0.702 218 D CB -1.111 39.671 40.800 -0.030 0.000 1.068 218 D HN 0.243 nan 8.370 nan 0.000 0.432 219 I N 0.490 121.013 120.570 -0.079 0.000 2.339 219 I HA 0.178 4.349 4.170 0.000 0.000 0.290 219 I C 1.670 177.721 176.117 -0.109 0.000 0.994 219 I CA -0.852 60.399 61.300 -0.081 0.000 1.191 219 I CB 1.568 39.521 38.000 -0.079 0.000 1.343 219 I HN -0.017 nan 8.210 nan 0.000 0.458 220 E N 4.598 124.752 120.200 -0.078 0.000 2.077 220 E HA -0.167 4.183 4.350 0.000 0.000 0.193 220 E C 1.068 177.619 176.600 -0.082 0.000 0.989 220 E CA 1.115 57.470 56.400 -0.074 0.000 0.800 220 E CB 0.226 29.902 29.700 -0.041 0.000 0.746 220 E HN 0.682 nan 8.360 nan 0.000 0.452 221 R N 2.034 122.493 120.500 -0.067 0.000 2.477 221 R HA 0.247 4.587 4.340 0.000 0.000 0.285 221 R C -2.662 173.600 176.300 -0.064 0.000 1.415 221 R CA -1.552 54.517 56.100 -0.050 0.000 1.446 221 R CB -0.343 29.942 30.300 -0.025 0.000 1.110 221 R HN 0.017 nan 8.270 nan 0.000 0.590 222 P HA 0.100 nan 4.420 nan 0.000 0.265 222 P C -0.337 176.933 177.300 -0.050 0.000 1.222 222 P CA 0.406 63.457 63.100 -0.082 0.000 0.767 222 P CB 0.931 32.549 31.700 -0.136 0.000 0.801 223 T N 2.548 117.077 114.554 -0.041 0.000 2.788 223 T HA 0.118 4.468 4.350 0.000 0.000 0.280 223 T C 1.192 175.890 174.700 -0.002 0.000 0.984 223 T CA -0.137 61.934 62.100 -0.048 0.000 0.972 223 T CB 0.484 69.352 68.868 0.001 0.000 1.039 223 T HN 0.310 nan 8.240 nan 0.000 0.530 224 Y N 0.317 120.631 120.300 0.023 0.000 2.133 224 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 224 Y C 3.275 179.179 175.900 0.007 0.000 1.134 224 Y CA 1.375 59.487 58.100 0.019 0.000 1.133 224 Y CB -0.293 38.176 38.460 0.014 0.000 0.987 224 Y HN 0.751 nan 8.280 nan 0.000 0.502 225 T N -0.485 114.184 114.554 0.191 0.000 2.869 225 T HA -0.237 4.113 4.350 0.000 0.000 0.270 225 T C 1.342 176.078 174.700 0.060 0.000 1.082 225 T CA 2.171 64.329 62.100 0.096 0.000 1.123 225 T CB -0.550 68.361 68.868 0.072 0.000 0.856 225 T HN 0.427 nan 8.240 nan 0.000 0.499 226 N N -0.909 117.824 118.700 0.056 0.000 2.290 226 N HA 0.091 4.831 4.740 0.000 0.000 0.179 226 N C 1.474 177.001 175.510 0.028 0.000 1.016 226 N CA 0.538 53.603 53.050 0.025 0.000 0.871 226 N CB 0.014 38.504 38.487 0.005 0.000 0.987 226 N HN 0.184 nan 8.380 nan 0.000 0.431 227 L N 1.379 122.641 121.223 0.065 0.000 2.068 227 L HA -0.021 4.319 4.340 0.000 0.000 0.204 227 L C 1.808 178.707 176.870 0.049 0.000 1.076 227 L CA 1.336 56.220 54.840 0.074 0.000 0.753 227 L CB -1.077 41.069 42.059 0.146 0.000 0.910 227 L HN 0.214 nan 8.230 nan 0.000 0.439 228 N N -0.104 118.631 118.700 0.059 0.000 2.094 228 N HA -0.207 4.533 4.740 0.000 0.000 0.191 228 N C 1.951 177.442 175.510 -0.032 0.000 1.023 228 N CA 1.128 54.183 53.050 0.008 0.000 0.857 228 N CB -0.232 38.255 38.487 -0.001 0.000 1.013 228 N HN 0.326 nan 8.380 nan 0.000 0.426 229 R N 0.308 120.795 120.500 -0.022 0.000 2.096 229 R HA -0.134 4.207 4.340 0.000 0.000 0.240 229 R C 2.073 178.324 176.300 -0.082 0.000 1.139 229 R CA 0.963 57.036 56.100 -0.045 0.000 0.952 229 R CB -0.424 29.862 30.300 -0.023 0.000 0.854 229 R HN 0.148 nan 8.270 nan 0.000 0.436 230 L N 1.238 122.416 121.223 -0.075 0.000 2.027 230 L HA -0.101 4.239 4.340 0.000 0.000 0.206 230 L C 1.994 178.773 176.870 -0.151 0.000 1.074 230 L CA 1.555 56.323 54.840 -0.120 0.000 0.745 230 L CB -0.613 41.404 42.059 -0.069 0.000 0.898 230 L HN 0.146 nan 8.230 nan 0.000 0.433 231 I N -0.487 120.034 120.570 -0.082 0.000 2.208 231 I HA -0.247 3.923 4.170 0.000 0.000 0.245 231 I C 2.542 178.592 176.117 -0.111 0.000 1.097 231 I CA 1.196 62.461 61.300 -0.059 0.000 1.363 231 I CB -1.286 36.714 38.000 -0.001 0.000 1.051 231 I HN 0.392 nan 8.210 nan 0.000 0.413 232 G N 0.338 109.054 108.800 -0.141 0.000 2.599 232 G HA2 -0.390 3.570 3.960 0.000 0.000 0.219 232 G HA3 -0.390 3.570 3.960 0.000 0.000 0.219 232 G C 1.543 176.326 174.900 -0.194 0.000 1.193 232 G CA 1.252 46.235 45.100 -0.195 0.000 0.778 232 G HN 0.319 nan 8.290 nan 0.000 0.589 233 Q N -0.103 119.563 119.800 -0.223 0.000 2.061 233 Q HA -0.072 4.268 4.340 0.000 0.000 0.204 233 Q C 2.532 178.358 176.000 -0.291 0.000 0.984 233 Q CA 1.471 57.097 55.803 -0.295 0.000 0.846 233 Q CB -0.333 28.098 28.738 -0.512 0.000 0.902 233 Q HN 0.567 nan 8.270 nan 0.000 0.421 234 I N -1.059 119.331 120.570 -0.300 0.000 2.163 234 I HA -0.290 3.880 4.170 0.000 0.000 0.243 234 I C 2.005 178.135 176.117 0.021 0.000 1.085 234 I CA 0.890 62.127 61.300 -0.105 0.000 1.347 234 I CB -0.317 37.658 38.000 -0.042 0.000 1.044 234 I HN 0.063 nan 8.210 nan 0.000 0.408 235 V N -0.314 119.604 119.914 0.007 0.000 2.295 235 V HA -0.313 3.807 4.120 0.000 0.000 0.246 235 V C 2.591 178.719 176.094 0.057 0.000 1.049 235 V CA 2.110 64.430 62.300 0.033 0.000 1.024 235 V CB -0.925 30.802 31.823 -0.159 0.000 0.648 235 V HN 0.587 nan 8.190 nan 0.000 0.447 236 S N 0.399 116.113 115.700 0.023 0.000 2.359 236 S HA -0.258 4.212 4.470 0.000 0.000 0.223 236 S C 2.155 176.843 174.600 0.147 0.000 1.039 236 S CA 2.402 60.679 58.200 0.128 0.000 1.042 236 S CB -0.503 62.751 63.200 0.090 0.000 0.915 236 S HN 0.614 nan 8.310 nan 0.000 0.439 237 S N 1.277 117.060 115.700 0.139 0.000 2.419 237 S HA 0.025 4.495 4.470 0.000 0.000 0.233 237 S C 1.743 176.444 174.600 0.169 0.000 1.016 237 S CA 1.390 59.691 58.200 0.167 0.000 0.974 237 S CB -0.491 62.847 63.200 0.230 0.000 0.786 237 S HN 0.552 nan 8.310 nan 0.000 0.492 238 I N 1.728 122.399 120.570 0.167 0.000 2.141 238 I HA -0.190 3.980 4.170 0.000 0.000 0.236 238 I C 2.981 179.280 176.117 0.303 0.000 1.071 238 I CA 1.615 63.050 61.300 0.225 0.000 1.345 238 I CB -1.073 37.009 38.000 0.137 0.000 1.066 238 I HN 0.417 nan 8.210 nan 0.000 0.406 239 T N -0.070 114.611 114.554 0.211 0.000 2.569 239 T HA -0.213 4.137 4.350 0.000 0.000 0.263 239 T C 1.979 176.748 174.700 0.115 0.000 1.074 239 T CA 1.321 63.488 62.100 0.111 0.000 1.176 239 T CB -0.959 67.876 68.868 -0.056 0.000 0.863 239 T HN 0.409 nan 8.240 nan 0.000 0.410 240 A N 2.501 125.381 122.820 0.100 0.000 1.779 240 A HA -0.387 3.933 4.320 0.000 0.000 0.327 240 A C 2.572 180.334 177.584 0.298 0.000 4.078 240 A CA 4.671 56.860 52.037 0.253 0.000 1.006 240 A CB -2.121 17.036 19.000 0.261 0.000 0.657 240 A HN 1.453 nan 8.150 nan 0.000 0.491 241 S N 0.026 115.878 115.700 0.254 0.000 2.429 241 S HA -0.281 4.189 4.470 0.000 0.000 0.251 241 S C 1.265 175.988 174.600 0.205 0.000 1.104 241 S CA 2.410 60.748 58.200 0.230 0.000 1.130 241 S CB -1.158 62.202 63.200 0.267 0.000 1.000 241 S HN 1.607 nan 8.310 nan 0.000 0.449 242 L N -0.328 121.000 121.223 0.175 0.000 2.728 242 L HA 0.496 4.836 4.340 0.000 0.000 0.235 242 L C 1.380 178.315 176.870 0.109 0.000 1.197 242 L CA 0.008 54.927 54.840 0.131 0.000 0.992 242 L CB -0.735 41.385 42.059 0.101 0.000 1.263 242 L HN 0.167 nan 8.230 nan 0.000 0.484 243 R N -1.994 118.533 120.500 0.044 0.000 2.469 243 R HA 0.326 4.666 4.340 0.000 0.000 0.250 243 R C 0.926 177.069 176.300 -0.262 0.000 0.909 243 R CA 0.266 56.269 56.100 -0.162 0.000 1.050 243 R CB -0.013 30.010 30.300 -0.461 0.000 1.256 243 R HN 0.323 nan 8.270 nan 0.000 0.550 244 F N 1.119 121.119 119.950 0.083 0.000 2.653 244 F HA 0.067 4.594 4.527 0.000 0.000 0.288 244 F C 1.297 177.131 175.800 0.056 0.000 1.121 244 F CA 0.610 58.660 58.000 0.083 0.000 1.384 244 F CB 0.618 39.647 39.000 0.049 0.000 1.115 244 F HN -0.015 nan 8.300 nan 0.000 0.599 245 D N -1.918 118.601 120.400 0.197 0.000 2.680 245 D HA 0.112 4.753 4.640 0.000 0.000 0.295 245 D C 1.577 177.948 176.300 0.118 0.000 1.097 245 D CA 0.336 54.426 54.000 0.151 0.000 0.952 245 D CB -1.193 39.658 40.800 0.085 0.000 1.491 245 D HN -0.055 nan 8.370 nan 0.000 0.486 246 G N 0.308 109.159 108.800 0.085 0.000 2.662 246 G HA2 0.398 4.358 3.960 0.000 0.000 0.285 246 G HA3 0.398 4.358 3.960 0.000 0.000 0.285 246 G C 0.265 175.177 174.900 0.020 0.000 0.672 246 G CA 0.499 45.631 45.100 0.053 0.000 2.098 246 G HN 0.554 nan 8.290 nan 0.000 0.538 247 A N 1.071 123.906 122.820 0.024 0.000 1.893 247 A HA 0.812 5.132 4.320 0.000 0.000 0.175 247 A C 1.777 179.369 177.584 0.012 0.000 1.480 247 A CA 0.736 52.758 52.037 -0.024 0.000 2.061 247 A CB -0.657 18.312 19.000 -0.051 0.000 2.260 247 A HN 1.345 nan 8.150 nan 0.000 1.021 248 L N -0.069 121.183 121.223 0.049 0.000 2.080 248 L HA 0.374 4.715 4.340 0.000 0.000 0.209 248 L C 0.655 177.594 176.870 0.116 0.000 1.178 248 L CA 1.484 56.370 54.840 0.077 0.000 1.430 248 L CB -1.790 40.325 42.059 0.093 0.000 1.236 248 L HN 0.543 nan 8.230 nan 0.000 0.736 249 N N 0.943 119.756 118.700 0.187 0.000 3.124 249 N HA 0.421 5.161 4.740 0.000 0.000 0.284 249 N C -0.446 175.256 175.510 0.320 0.000 1.209 249 N CA -0.108 53.111 53.050 0.280 0.000 1.149 249 N CB 0.031 38.747 38.487 0.381 0.000 1.434 249 N HN 0.465 nan 8.380 nan 0.000 0.529 250 V N 0.827 120.854 119.914 0.188 0.000 2.572 250 V HA 0.087 4.207 4.120 0.000 0.000 0.291 250 V C 0.760 176.923 176.094 0.115 0.000 1.039 250 V CA -0.661 61.720 62.300 0.135 0.000 1.055 250 V CB 0.551 32.427 31.823 0.089 0.000 0.969 250 V HN 0.792 nan 8.190 nan 0.000 0.482 251 D N 3.187 123.632 120.400 0.075 0.000 2.746 251 D HA -0.262 4.378 4.640 0.000 0.000 0.236 251 D C 0.106 176.423 176.300 0.029 0.000 1.129 251 D CA 1.112 55.132 54.000 0.033 0.000 0.691 251 D CB -1.593 39.218 40.800 0.019 0.000 1.077 251 D HN 0.679 nan 8.370 nan 0.000 0.432 252 L N -2.261 118.971 121.223 0.016 0.000 5.352 252 L HA -0.471 3.870 4.340 0.000 0.000 0.053 252 L C 2.365 179.316 176.870 0.135 0.000 2.872 252 L CA 2.445 57.291 54.840 0.009 0.000 1.575 252 L CB -2.276 39.747 42.059 -0.060 0.000 2.871 252 L HN 0.477 nan 8.230 nan 0.000 0.934 253 T N -0.779 113.824 114.554 0.082 0.000 2.733 253 T HA -0.429 3.921 4.350 0.000 0.000 0.146 253 T C 1.145 175.919 174.700 0.123 0.000 1.745 253 T CA 2.609 64.757 62.100 0.080 0.000 0.909 253 T CB -0.905 67.988 68.868 0.042 0.000 0.877 253 T HN 0.649 nan 8.240 nan 0.000 0.458 254 E N 0.248 120.520 120.200 0.121 0.000 2.455 254 E HA -0.028 4.322 4.350 0.000 0.000 0.202 254 E C 1.643 178.343 176.600 0.167 0.000 1.045 254 E CA 0.538 57.009 56.400 0.119 0.000 0.872 254 E CB -0.261 29.496 29.700 0.096 0.000 0.792 254 E HN 0.589 nan 8.360 nan 0.000 0.542 255 F N 1.631 121.615 119.950 0.056 0.000 2.104 255 F HA -0.156 4.371 4.527 0.000 0.000 0.288 255 F C 2.427 178.271 175.800 0.074 0.000 1.107 255 F CA 1.357 59.408 58.000 0.084 0.000 1.208 255 F CB 0.066 39.128 39.000 0.103 0.000 1.033 255 F HN -0.090 nan 8.300 nan 0.000 0.478 256 Q N -1.155 118.824 119.800 0.299 0.000 2.046 256 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 256 Q C 2.000 178.028 176.000 0.047 0.000 0.975 256 Q CA 1.867 57.752 55.803 0.137 0.000 0.836 256 Q CB -1.265 27.547 28.738 0.124 0.000 0.896 256 Q HN 0.268 nan 8.270 nan 0.000 0.428 257 T N 0.923 115.508 114.554 0.051 0.000 2.882 257 T HA -0.173 4.177 4.350 0.000 0.000 0.268 257 T C 1.249 175.953 174.700 0.007 0.000 1.104 257 T CA 1.574 63.684 62.100 0.017 0.000 1.118 257 T CB -0.345 68.538 68.868 0.025 0.000 0.831 257 T HN 0.383 nan 8.240 nan 0.000 0.529 258 N N -1.020 117.684 118.700 0.006 0.000 2.415 258 N HA 0.234 4.975 4.740 0.000 0.000 0.174 258 N C 1.430 176.936 175.510 -0.007 0.000 1.048 258 N CA 0.287 53.331 53.050 -0.010 0.000 0.895 258 N CB 0.312 38.776 38.487 -0.037 0.000 1.036 258 N HN 0.303 nan 8.380 nan 0.000 0.449 259 L N 0.120 121.335 121.223 -0.013 0.000 2.445 259 L HA 0.231 4.571 4.340 0.000 0.000 0.207 259 L C 0.369 177.250 176.870 0.018 0.000 1.053 259 L CA 0.003 54.847 54.840 0.006 0.000 0.841 259 L CB 0.284 42.335 42.059 -0.013 0.000 1.074 259 L HN -0.041 nan 8.230 nan 0.000 0.479 260 V N -1.525 118.386 119.914 -0.005 0.000 2.364 260 V HA 0.356 4.476 4.120 0.000 0.000 0.272 260 V C -1.722 174.327 176.094 -0.075 0.000 1.036 260 V CA -1.139 61.149 62.300 -0.019 0.000 0.880 260 V CB 0.820 32.640 31.823 -0.006 0.000 0.991 260 V HN 0.026 nan 8.190 nan 0.000 0.460 261 P HA 0.226 nan 4.420 nan 0.000 0.245 261 P C -0.425 176.510 177.300 -0.608 0.000 1.199 261 P CA 0.527 63.456 63.100 -0.285 0.000 0.807 261 P CB 0.246 31.878 31.700 -0.114 0.000 1.002 262 Y N 0.003 120.156 120.300 -0.246 0.000 2.462 262 Y HA 0.325 4.875 4.550 0.000 0.000 0.346 262 Y C -1.397 174.504 175.900 0.001 0.000 0.976 262 Y CA -2.277 55.722 58.100 -0.168 0.000 1.044 262 Y CB 1.579 39.901 38.460 -0.230 0.000 1.230 262 Y HN -0.282 nan 8.280 nan 0.000 0.455 263 P HA -0.199 nan 4.420 nan 0.000 0.218 263 P C 0.303 177.658 177.300 0.092 0.000 1.146 263 P CA 1.226 64.369 63.100 0.071 0.000 0.813 263 P CB 0.290 32.015 31.700 0.041 0.000 0.778 264 R N 0.886 121.492 120.500 0.176 0.000 4.828 264 R HA 0.061 4.401 4.340 0.000 0.000 0.167 264 R C 1.437 177.649 176.300 -0.147 0.000 2.071 264 R CA -0.329 55.787 56.100 0.027 0.000 1.630 264 R CB -1.862 28.429 30.300 -0.016 0.000 1.359 264 R HN 0.303 nan 8.270 nan 0.000 0.834 265 I N 0.701 121.201 120.570 -0.116 0.000 3.102 265 I HA -0.434 3.737 4.170 0.000 0.000 0.273 265 I C 0.093 175.862 176.117 -0.581 0.000 0.714 265 I CA 1.070 62.175 61.300 -0.326 0.000 1.525 265 I CB -0.754 37.018 38.000 -0.380 0.000 1.119 265 I HN 0.660 nan 8.210 nan 0.000 0.439 266 H N 0.390 119.237 119.070 -0.372 0.000 3.058 266 H HA -0.189 4.367 4.556 0.000 0.000 0.278 266 H C -0.146 174.980 175.328 -0.337 0.000 0.865 266 H CA 1.454 57.393 56.048 -0.180 0.000 1.371 266 H CB -0.259 29.526 29.762 0.039 0.000 1.174 266 H HN 0.136 nan 8.280 nan 0.000 0.577 267 F N 4.045 124.155 119.950 0.266 0.000 2.332 267 F HA 0.298 4.825 4.527 0.000 0.000 0.368 267 F C -1.919 173.945 175.800 0.107 0.000 1.110 267 F CA -2.692 55.386 58.000 0.129 0.000 1.087 267 F CB 0.952 40.091 39.000 0.231 0.000 1.235 267 F HN 0.238 nan 8.300 nan 0.000 0.470 268 P HA 0.116 nan 4.420 nan 0.000 0.277 268 P C -0.725 176.700 177.300 0.209 0.000 1.240 268 P CA -0.477 62.719 63.100 0.159 0.000 0.798 268 P CB 1.062 32.834 31.700 0.121 0.000 0.979 269 L N 2.358 123.681 121.223 0.166 0.000 2.264 269 L HA 0.592 4.932 4.340 0.000 0.000 0.289 269 L C -0.436 176.513 176.870 0.133 0.000 1.044 269 L CA -0.481 54.427 54.840 0.114 0.000 0.807 269 L CB 0.340 42.429 42.059 0.051 0.000 1.192 269 L HN 0.390 nan 8.230 nan 0.000 0.425 270 A N 3.825 126.719 122.820 0.124 0.000 2.301 270 A HA 0.745 5.066 4.320 0.000 0.000 0.312 270 A C -0.292 177.323 177.584 0.051 0.000 1.182 270 A CA -0.353 51.737 52.037 0.090 0.000 0.826 270 A CB 0.703 19.750 19.000 0.078 0.000 1.134 270 A HN 0.759 nan 8.150 nan 0.000 0.501 271 T N 1.865 116.434 114.554 0.025 0.000 2.906 271 T HA 0.366 4.716 4.350 0.000 0.000 0.302 271 T C -1.012 173.700 174.700 0.020 0.000 1.002 271 T CA -0.159 61.942 62.100 0.002 0.000 0.988 271 T CB 0.390 69.210 68.868 -0.081 0.000 0.972 271 T HN 0.479 nan 8.240 nan 0.000 0.447 272 Y N 3.055 123.320 120.300 -0.058 0.000 2.309 272 Y HA 0.553 5.103 4.550 0.000 0.000 0.327 272 Y C 1.147 177.003 175.900 -0.073 0.000 1.172 272 Y CA -0.278 57.785 58.100 -0.062 0.000 1.280 272 Y CB 0.610 39.049 38.460 -0.035 0.000 1.234 272 Y HN 0.860 nan 8.280 nan 0.000 0.512 273 A N 6.232 128.596 122.820 -0.761 0.000 2.728 273 A HA 0.034 4.354 4.320 0.000 0.000 0.179 273 A C -1.968 175.440 177.584 -0.294 0.000 1.066 273 A CA 0.644 52.355 52.037 -0.542 0.000 0.950 273 A CB -1.776 16.849 19.000 -0.625 0.000 0.840 273 A HN 0.642 nan 8.150 nan 0.000 0.565 274 P HA 0.485 nan 4.420 nan 0.000 0.303 274 P C -1.452 175.887 177.300 0.065 0.000 1.370 274 P CA -0.291 62.772 63.100 -0.062 0.000 0.854 274 P CB 1.382 33.049 31.700 -0.056 0.000 0.946 275 V N 5.476 125.452 119.914 0.104 0.000 2.328 275 V HA 0.500 4.620 4.120 0.000 0.000 0.278 275 V C 0.151 176.285 176.094 0.066 0.000 1.021 275 V CA -0.492 61.889 62.300 0.134 0.000 0.838 275 V CB 1.024 32.923 31.823 0.127 0.000 0.999 275 V HN 0.433 nan 8.190 nan 0.000 0.447 276 I N 4.465 125.068 120.570 0.056 0.000 2.610 276 I HA 0.501 4.671 4.170 0.000 0.000 0.289 276 I C 0.361 176.492 176.117 0.024 0.000 1.163 276 I CA 0.004 61.322 61.300 0.031 0.000 1.044 276 I CB 2.507 40.521 38.000 0.023 0.000 1.251 276 I HN 0.714 nan 8.210 nan 0.000 0.424 277 S N 6.037 121.745 115.700 0.014 0.000 2.560 277 S HA 0.693 5.163 4.470 0.000 0.000 0.284 277 S C 0.555 175.161 174.600 0.008 0.000 1.327 277 S CA -0.286 57.919 58.200 0.008 0.000 1.055 277 S CB 0.843 64.043 63.200 0.000 0.000 0.868 277 S HN 0.931 nan 8.310 nan 0.000 0.506 278 A N 2.542 125.367 122.820 0.008 0.000 2.262 278 A HA 0.636 4.956 4.320 0.000 0.000 0.273 278 A C 0.987 178.574 177.584 0.004 0.000 1.202 278 A CA 0.356 52.398 52.037 0.008 0.000 0.811 278 A CB -1.379 17.626 19.000 0.009 0.000 1.159 278 A HN 2.297 nan 8.150 nan 0.000 0.505 286 L N 2.442 123.666 121.223 0.002 0.000 2.367 286 L HA 0.530 4.870 4.340 0.000 0.000 0.275 286 L C 1.042 177.915 176.870 0.004 0.000 1.129 286 L CA -0.006 54.835 54.840 0.001 0.000 0.839 286 L CB 1.648 43.704 42.059 -0.005 0.000 1.133 286 L HN 0.818 nan 8.230 nan 0.000 0.453 287 S N 1.785 117.488 115.700 0.006 0.000 2.563 287 S HA 0.074 4.544 4.470 0.000 0.000 0.284 287 S C 1.549 176.163 174.600 0.023 0.000 1.331 287 S CA -0.823 57.383 58.200 0.011 0.000 1.047 287 S CB 0.842 64.046 63.200 0.008 0.000 0.859 287 S HN 0.403 nan 8.310 nan 0.000 0.514 288 V N 1.435 121.368 119.914 0.031 0.000 2.392 288 V HA -0.227 3.893 4.120 0.000 0.000 0.249 288 V C 2.664 178.804 176.094 0.077 0.000 1.059 288 V CA 2.049 64.388 62.300 0.065 0.000 1.051 288 V CB -1.965 29.878 31.823 0.034 0.000 0.658 288 V HN 1.012 nan 8.190 nan 0.000 0.455 289 A N -0.550 122.295 122.820 0.041 0.000 1.969 289 A HA -0.172 4.148 4.320 0.000 0.000 0.218 289 A C 2.277 179.885 177.584 0.041 0.000 1.169 289 A CA 1.612 53.672 52.037 0.038 0.000 0.635 289 A CB -0.404 18.606 19.000 0.016 0.000 0.810 289 A HN 0.597 nan 8.150 nan 0.000 0.445 290 E N -0.102 120.115 120.200 0.029 0.000 2.046 290 E HA -0.143 4.207 4.350 0.000 0.000 0.190 290 E C 2.001 178.608 176.600 0.012 0.000 0.982 290 E CA 1.430 57.843 56.400 0.020 0.000 0.800 290 E CB -0.293 29.414 29.700 0.011 0.000 0.756 290 E HN 0.852 nan 8.360 nan 0.000 0.449 291 I N -0.740 119.829 120.570 -0.001 0.000 2.394 291 I HA -0.147 4.023 4.170 0.000 0.000 0.251 291 I C 2.155 178.231 176.117 -0.068 0.000 1.136 291 I CA 1.040 62.310 61.300 -0.050 0.000 1.425 291 I CB -0.688 37.262 38.000 -0.084 0.000 1.079 291 I HN -0.109 nan 8.210 nan 0.000 0.425 292 T N 1.170 115.722 114.554 -0.003 0.000 2.777 292 T HA -0.118 4.232 4.350 0.000 0.000 0.266 292 T C 1.835 176.590 174.700 0.090 0.000 1.040 292 T CA 1.654 63.770 62.100 0.027 0.000 1.141 292 T CB -0.462 68.488 68.868 0.136 0.000 0.868 292 T HN 0.332 nan 8.240 nan 0.000 0.444 293 N N 1.309 120.065 118.700 0.095 0.000 2.289 293 N HA 0.011 4.751 4.740 0.000 0.000 0.184 293 N C 1.735 177.303 175.510 0.098 0.000 1.016 293 N CA 1.069 54.192 53.050 0.122 0.000 0.872 293 N CB -0.300 38.230 38.487 0.071 0.000 0.973 293 N HN 0.451 nan 8.380 nan 0.000 0.433 294 A N -1.111 121.724 122.820 0.025 0.000 2.208 294 A HA 0.029 4.349 4.320 0.000 0.000 0.209 294 A C 2.346 179.898 177.584 -0.054 0.000 1.161 294 A CA 0.215 52.249 52.037 -0.005 0.000 0.782 294 A CB -0.460 18.523 19.000 -0.028 0.000 0.816 294 A HN 0.393 nan 8.150 nan 0.000 0.477 295 C N -1.787 117.437 119.300 -0.126 0.000 2.495 295 C HA 0.202 4.662 4.460 0.000 0.000 0.275 295 C C 0.686 175.396 174.990 -0.465 0.000 1.392 295 C CA 0.144 58.962 59.018 -0.333 0.000 1.766 295 C CB -1.318 26.118 27.740 -0.507 0.000 1.933 295 C HN 0.574 nan 8.230 nan 0.000 0.519 296 F N 1.271 121.238 119.950 0.028 0.000 2.578 296 F HA 0.382 4.909 4.527 0.000 0.000 0.314 296 F C 0.161 175.991 175.800 0.050 0.000 1.225 296 F CA -0.048 57.986 58.000 0.056 0.000 1.215 296 F CB 0.059 39.086 39.000 0.045 0.000 1.448 296 F HN 0.041 nan 8.300 nan 0.000 0.548 297 E N 2.231 122.506 120.200 0.124 0.000 2.294 297 E HA 0.314 4.664 4.350 0.000 0.000 0.272 297 E C -2.217 174.418 176.600 0.059 0.000 0.896 297 E CA -2.310 54.144 56.400 0.089 0.000 0.802 297 E CB 1.748 31.481 29.700 0.056 0.000 1.267 297 E HN -0.072 nan 8.360 nan 0.000 0.406 298 P HA -0.194 nan 4.420 nan 0.000 0.215 298 P C 0.918 178.232 177.300 0.024 0.000 1.153 298 P CA 1.542 64.666 63.100 0.039 0.000 0.853 298 P CB 0.133 31.854 31.700 0.034 0.000 0.788 299 A N -0.642 122.193 122.820 0.026 0.000 2.234 299 A HA -0.138 4.182 4.320 0.000 0.000 0.216 299 A C 1.869 179.467 177.584 0.023 0.000 1.167 299 A CA 1.256 53.307 52.037 0.023 0.000 0.698 299 A CB -1.009 18.005 19.000 0.023 0.000 0.779 299 A HN 0.170 nan 8.150 nan 0.000 0.475 300 N N -0.753 117.960 118.700 0.021 0.000 2.238 300 N HA 0.124 4.864 4.740 0.000 0.000 0.235 300 N C 0.368 175.891 175.510 0.022 0.000 1.209 300 N CA 0.006 53.069 53.050 0.022 0.000 0.879 300 N CB 0.382 38.875 38.487 0.009 0.000 1.136 300 N HN 0.639 nan 8.380 nan 0.000 0.517 301 Q N -0.479 119.330 119.800 0.016 0.000 2.319 301 Q HA 0.268 4.608 4.340 0.000 0.000 0.173 301 Q C 1.023 177.035 176.000 0.020 0.000 1.112 301 Q CA 0.194 56.004 55.803 0.011 0.000 1.144 301 Q CB 0.659 29.395 28.738 -0.005 0.000 1.765 301 Q HN 0.059 nan 8.270 nan 0.000 0.594 302 M N -0.353 119.252 119.600 0.008 0.000 2.231 302 M HA 0.244 4.725 4.480 0.000 0.000 0.347 302 M C -1.118 175.167 176.300 -0.025 0.000 0.901 302 M CA 0.392 55.702 55.300 0.016 0.000 1.064 302 M CB 1.544 34.169 32.600 0.041 0.000 1.861 302 M HN 0.193 nan 8.290 nan 0.000 0.638 303 V N 1.132 121.003 119.914 -0.073 0.000 2.532 303 V HA 0.304 4.424 4.120 0.000 0.000 0.294 303 V C -0.321 175.679 176.094 -0.157 0.000 1.036 303 V CA -1.208 60.987 62.300 -0.174 0.000 0.876 303 V CB 2.224 33.883 31.823 -0.273 0.000 1.012 303 V HN 0.123 nan 8.190 nan 0.000 0.432 304 K N 4.150 124.467 120.400 -0.139 0.000 2.436 304 K HA 0.455 4.775 4.320 0.000 0.000 0.282 304 K C -0.058 176.459 176.600 -0.139 0.000 1.044 304 K CA 0.697 56.925 56.287 -0.099 0.000 1.028 304 K CB -0.134 32.334 32.500 -0.054 0.000 0.919 304 K HN 1.091 nan 8.250 nan 0.000 0.474 305 C N 0.543 119.779 119.300 -0.107 0.000 3.232 305 C HA 0.512 4.972 4.460 0.000 0.000 0.315 305 C C -2.139 172.808 174.990 -0.071 0.000 1.401 305 C CA -0.783 58.168 59.018 -0.113 0.000 1.142 305 C CB 0.534 28.179 27.740 -0.158 0.000 1.559 305 C HN 0.916 nan 8.230 nan 0.000 0.408 306 D N 0.129 120.493 120.400 -0.060 0.000 2.804 306 D HA 0.391 5.032 4.640 0.000 0.000 0.209 306 D C -2.858 173.449 176.300 0.011 0.000 1.314 306 D CA -0.750 53.241 54.000 -0.015 0.000 0.894 306 D CB 2.125 42.923 40.800 -0.003 0.000 1.615 306 D HN 0.332 nan 8.370 nan 0.000 0.571 307 P HA 0.149 nan 4.420 nan 0.000 0.257 307 P C 1.152 178.457 177.300 0.009 0.000 1.281 307 P CA 0.330 63.378 63.100 -0.086 0.000 0.826 307 P CB 0.168 31.721 31.700 -0.245 0.000 1.237 308 R N -0.533 120.017 120.500 0.083 0.000 2.307 308 R HA -0.097 4.243 4.340 0.000 0.000 0.199 308 R C 1.873 178.228 176.300 0.093 0.000 1.000 308 R CA 1.188 57.346 56.100 0.097 0.000 1.023 308 R CB -1.980 28.376 30.300 0.093 0.000 0.908 308 R HN 0.448 nan 8.270 nan 0.000 0.473 309 H N -0.956 118.099 119.070 -0.025 0.000 2.315 309 H HA 0.186 4.742 4.556 0.000 0.000 0.318 309 H C 1.529 176.828 175.328 -0.048 0.000 1.068 309 H CA 0.890 56.919 56.048 -0.032 0.000 1.465 309 H CB -0.019 29.720 29.762 -0.039 0.000 1.475 309 H HN 0.418 nan 8.280 nan 0.000 0.597 310 G N 1.008 109.662 108.800 -0.245 0.000 2.481 310 G HA2 0.251 4.212 3.960 0.000 0.000 0.251 310 G HA3 0.251 4.212 3.960 0.000 0.000 0.251 310 G C -0.494 174.270 174.900 -0.228 0.000 1.492 310 G CA -0.337 44.589 45.100 -0.290 0.000 1.060 310 G HN 0.343 nan 8.290 nan 0.000 0.553 311 K N -1.451 118.809 120.400 -0.234 0.000 2.433 311 K HA 0.393 4.713 4.320 0.000 0.000 0.252 311 K C -1.850 174.523 176.600 -0.379 0.000 1.015 311 K CA -0.717 55.429 56.287 -0.235 0.000 0.860 311 K CB 1.983 34.383 32.500 -0.167 0.000 1.359 311 K HN 0.446 nan 8.250 nan 0.000 0.452 312 Y N 0.815 120.858 120.300 -0.428 0.000 2.360 312 Y HA 0.275 4.825 4.550 0.000 0.000 0.337 312 Y C 0.774 176.232 175.900 -0.737 0.000 1.039 312 Y CA -0.665 57.046 58.100 -0.649 0.000 1.109 312 Y CB 1.559 39.342 38.460 -1.129 0.000 1.201 312 Y HN 0.464 nan 8.280 nan 0.000 0.458 313 M N 1.793 121.249 119.600 -0.241 0.000 2.809 313 M HA 0.797 5.277 4.480 0.000 0.000 0.388 313 M C -0.629 175.752 176.300 0.135 0.000 1.248 313 M CA -0.365 54.882 55.300 -0.088 0.000 0.885 313 M CB 0.956 33.521 32.600 -0.058 0.000 1.386 313 M HN 0.437 nan 8.290 nan 0.000 0.509 314 A N 0.037 122.960 122.820 0.172 0.000 0.909 314 A HA 0.373 4.693 4.320 0.000 0.000 0.189 314 A C -1.213 176.457 177.584 0.144 0.000 0.906 314 A CA -0.990 51.175 52.037 0.212 0.000 0.541 314 A CB -0.594 18.489 19.000 0.138 0.000 0.393 314 A HN 0.440 nan 8.150 nan 0.000 0.323 315 C N 1.574 120.948 119.300 0.123 0.000 2.391 315 C HA 0.870 5.330 4.460 0.000 0.000 0.339 315 C C 0.409 175.431 174.990 0.052 0.000 1.205 315 C CA -0.137 58.884 59.018 0.005 0.000 1.937 315 C CB 0.902 28.450 27.740 -0.320 0.000 2.341 315 C HN 1.144 nan 8.230 nan 0.000 0.516 316 C N 4.706 124.085 119.300 0.132 0.000 2.609 316 C HA 0.683 5.143 4.460 0.000 0.000 0.313 316 C C -1.011 174.077 174.990 0.163 0.000 1.175 316 C CA -0.568 58.531 59.018 0.135 0.000 1.434 316 C CB 0.354 28.122 27.740 0.046 0.000 2.005 316 C HN 0.842 nan 8.230 nan 0.000 0.471 317 L N 5.425 126.766 121.223 0.197 0.000 2.343 317 L HA 0.556 4.897 4.340 0.000 0.000 0.278 317 L C -1.112 175.834 176.870 0.127 0.000 0.996 317 L CA -0.498 54.427 54.840 0.142 0.000 0.831 317 L CB 1.496 43.728 42.059 0.288 0.000 1.232 317 L HN 0.491 nan 8.230 nan 0.000 0.413 318 L N 4.649 125.868 121.223 -0.007 0.000 2.337 318 L HA 0.407 4.747 4.340 0.000 0.000 0.269 318 L C -0.558 176.291 176.870 -0.035 0.000 1.018 318 L CA -0.062 54.803 54.840 0.041 0.000 0.876 318 L CB 0.587 42.669 42.059 0.039 0.000 1.236 318 L HN 0.290 nan 8.230 nan 0.000 0.436 319 Y N 2.197 122.488 120.300 -0.014 0.000 2.316 319 Y HA 0.639 5.190 4.550 0.000 0.000 0.324 319 Y C 0.528 176.411 175.900 -0.029 0.000 1.267 319 Y CA -0.515 57.567 58.100 -0.030 0.000 1.311 319 Y CB 0.979 39.428 38.460 -0.019 0.000 1.267 319 Y HN 0.348 nan 8.280 nan 0.000 0.516 320 R N 0.379 120.954 120.500 0.125 0.000 2.522 320 R HA 0.528 4.868 4.340 0.000 0.000 0.283 320 R C -0.330 176.005 176.300 0.058 0.000 1.074 320 R CA -0.016 56.114 56.100 0.051 0.000 0.925 320 R CB 1.931 32.240 30.300 0.015 0.000 1.205 320 R HN 0.956 nan 8.270 nan 0.000 0.436 321 G N 2.177 111.011 108.800 0.056 0.000 2.384 321 G HA2 -0.221 3.739 3.960 0.000 0.000 0.200 321 G HA3 -0.221 3.739 3.960 0.000 0.000 0.200 321 G C -1.372 173.580 174.900 0.087 0.000 1.205 321 G CA -0.615 44.518 45.100 0.055 0.000 1.116 321 G HN 0.530 nan 8.290 nan 0.000 0.547 322 D N 0.843 121.270 120.400 0.044 0.000 2.359 322 D HA 0.501 5.141 4.640 0.000 0.000 0.250 322 D C -0.091 176.224 176.300 0.025 0.000 1.264 322 D CA 0.458 54.468 54.000 0.017 0.000 0.911 322 D CB 0.559 41.353 40.800 -0.009 0.000 1.056 322 D HN 0.754 nan 8.370 nan 0.000 0.499 323 V N 3.744 123.679 119.914 0.036 0.000 2.752 323 V HA 0.246 4.366 4.120 0.000 0.000 0.302 323 V C -0.197 175.891 176.094 -0.009 0.000 1.133 323 V CA -0.980 61.321 62.300 0.002 0.000 0.919 323 V CB 2.047 33.861 31.823 -0.015 0.000 1.026 323 V HN 0.142 nan 8.190 nan 0.000 0.429 324 V N 6.154 126.036 119.914 -0.053 0.000 2.532 324 V HA 0.335 4.456 4.120 0.000 0.000 0.295 324 V C -1.468 174.575 176.094 -0.085 0.000 1.041 324 V CA -1.586 60.684 62.300 -0.049 0.000 0.926 324 V CB 2.016 33.806 31.823 -0.055 0.000 0.992 324 V HN 0.724 nan 8.190 nan 0.000 0.457 325 P HA -0.149 nan 4.420 nan 0.000 0.217 325 P C 1.759 179.003 177.300 -0.095 0.000 1.148 325 P CA 1.861 64.899 63.100 -0.103 0.000 0.828 325 P CB 0.120 31.786 31.700 -0.057 0.000 0.783 326 K N 0.383 120.743 120.400 -0.067 0.000 2.144 326 K HA -0.255 4.065 4.320 0.000 0.000 0.209 326 K C 1.645 178.206 176.600 -0.065 0.000 1.047 326 K CA 2.351 58.604 56.287 -0.057 0.000 0.927 326 K CB -1.852 30.621 32.500 -0.045 0.000 0.716 326 K HN 0.323 nan 8.250 nan 0.000 0.454 327 D N -0.169 120.185 120.400 -0.078 0.000 2.144 327 D HA -0.036 4.604 4.640 0.000 0.000 0.207 327 D C 2.080 178.324 176.300 -0.094 0.000 0.970 327 D CA 1.138 55.094 54.000 -0.073 0.000 0.853 327 D CB -0.577 40.185 40.800 -0.064 0.000 1.007 327 D HN 0.148 nan 8.370 nan 0.000 0.469 328 V N 2.098 121.913 119.914 -0.164 0.000 2.428 328 V HA -0.307 3.814 4.120 0.000 0.000 0.255 328 V C 2.117 178.133 176.094 -0.131 0.000 1.080 328 V CA 1.680 63.846 62.300 -0.223 0.000 1.083 328 V CB -0.662 30.904 31.823 -0.429 0.000 0.665 328 V HN 0.248 nan 8.190 nan 0.000 0.461 329 N N -0.170 118.464 118.700 -0.111 0.000 2.051 329 N HA -0.121 4.619 4.740 0.000 0.000 0.192 329 N C 1.920 177.382 175.510 -0.080 0.000 1.049 329 N CA 1.272 54.268 53.050 -0.091 0.000 0.845 329 N CB -0.234 38.211 38.487 -0.071 0.000 1.031 329 N HN 0.470 nan 8.380 nan 0.000 0.425 330 A N 0.949 123.731 122.820 -0.064 0.000 2.076 330 A HA -0.014 4.306 4.320 0.000 0.000 0.220 330 A C 2.151 179.706 177.584 -0.047 0.000 1.160 330 A CA 1.606 53.612 52.037 -0.051 0.000 0.653 330 A CB -0.465 18.511 19.000 -0.040 0.000 0.801 330 A HN 0.425 nan 8.150 nan 0.000 0.455 331 A N -0.374 122.420 122.820 -0.044 0.000 1.930 331 A HA 0.094 4.414 4.320 0.000 0.000 0.215 331 A C 2.046 179.602 177.584 -0.045 0.000 1.176 331 A CA 1.167 53.192 52.037 -0.021 0.000 0.632 331 A CB -0.396 18.615 19.000 0.019 0.000 0.819 331 A HN 0.450 nan 8.150 nan 0.000 0.445 332 I N -0.257 120.256 120.570 -0.096 0.000 2.202 332 I HA -0.236 3.935 4.170 0.000 0.000 0.242 332 I C 2.987 179.006 176.117 -0.164 0.000 1.091 332 I CA 0.941 62.124 61.300 -0.194 0.000 1.368 332 I CB -0.289 37.529 38.000 -0.303 0.000 1.058 332 I HN 0.348 nan 8.210 nan 0.000 0.410 333 A N 0.852 123.603 122.820 -0.116 0.000 1.869 333 A HA -0.326 3.994 4.320 0.000 0.000 0.218 333 A C 2.387 179.925 177.584 -0.077 0.000 1.203 333 A CA 3.152 55.138 52.037 -0.086 0.000 0.638 333 A CB -1.556 17.407 19.000 -0.062 0.000 0.831 333 A HN 0.528 nan 8.150 nan 0.000 0.450 334 T N -2.307 112.209 114.554 -0.062 0.000 2.962 334 T HA 0.083 4.433 4.350 0.000 0.000 0.270 334 T C 1.722 176.386 174.700 -0.060 0.000 1.088 334 T CA 1.424 63.495 62.100 -0.049 0.000 1.127 334 T CB -0.912 67.938 68.868 -0.030 0.000 0.883 334 T HN 0.908 nan 8.240 nan 0.000 0.493 335 I N 0.244 120.763 120.570 -0.086 0.000 3.291 335 I HA 0.362 4.532 4.170 0.000 0.000 0.279 335 I C 2.381 178.377 176.117 -0.202 0.000 1.294 335 I CA 1.118 62.343 61.300 -0.124 0.000 1.428 335 I CB -1.157 36.772 38.000 -0.118 0.000 1.070 335 I HN 0.341 nan 8.210 nan 0.000 0.478 336 K N -0.729 119.581 120.400 -0.151 0.000 2.365 336 K HA 0.057 4.378 4.320 0.000 0.000 0.195 336 K C 2.164 178.719 176.600 -0.074 0.000 1.079 336 K CA 1.100 57.313 56.287 -0.124 0.000 0.979 336 K CB 0.259 32.704 32.500 -0.092 0.000 0.929 336 K HN 0.528 nan 8.250 nan 0.000 0.523 337 T N 1.250 115.768 114.554 -0.060 0.000 2.635 337 T HA -0.186 4.165 4.350 0.000 0.000 0.267 337 T C 1.372 176.054 174.700 -0.030 0.000 1.040 337 T CA 2.160 64.237 62.100 -0.039 0.000 1.156 337 T CB -0.135 68.714 68.868 -0.032 0.000 0.863 337 T HN 0.252 nan 8.240 nan 0.000 0.430 338 K N 1.097 121.478 120.400 -0.031 0.000 2.800 338 K HA 0.742 5.063 4.320 0.000 0.000 0.185 338 K C -0.150 176.436 176.600 -0.023 0.000 1.082 338 K CA -0.220 56.055 56.287 -0.020 0.000 0.978 338 K CB 0.018 32.511 32.500 -0.011 0.000 1.364 338 K HN 0.686 nan 8.250 nan 0.000 0.592 339 R N -0.869 119.610 120.500 -0.035 0.000 2.747 339 R HA 0.788 5.129 4.340 0.000 0.000 0.272 339 R C -0.308 175.973 176.300 -0.032 0.000 1.032 339 R CA -0.034 56.041 56.100 -0.043 0.000 0.896 339 R CB 0.086 30.323 30.300 -0.105 0.000 1.253 339 R HN 0.248 nan 8.270 nan 0.000 0.461 340 T N 2.911 117.457 114.554 -0.014 0.000 3.364 340 T HA 0.215 4.565 4.350 0.000 0.000 0.323 340 T C 1.775 176.482 174.700 0.012 0.000 1.323 340 T CA 0.276 62.389 62.100 0.021 0.000 1.073 340 T CB -1.003 67.903 68.868 0.063 0.000 1.150 340 T HN 0.562 nan 8.240 nan 0.000 0.727 341 I N 1.338 121.901 120.570 -0.012 0.000 2.069 341 I HA -0.157 4.013 4.170 0.000 0.000 0.237 341 I C 1.363 177.529 176.117 0.080 0.000 1.053 341 I CA 1.678 62.980 61.300 0.004 0.000 1.311 341 I CB -1.615 36.408 38.000 0.038 0.000 1.030 341 I HN 0.564 nan 8.210 nan 0.000 0.398 342 Q N 0.719 120.574 119.800 0.092 0.000 2.426 342 Q HA -0.235 4.105 4.340 0.000 0.000 0.359 342 Q C -0.409 175.641 176.000 0.083 0.000 1.381 342 Q CA 1.520 57.375 55.803 0.087 0.000 1.060 342 Q CB -3.147 25.630 28.738 0.065 0.000 1.253 342 Q HN 0.648 nan 8.270 nan 0.000 0.363 343 F N -0.792 119.159 119.950 0.002 0.000 2.371 343 F HA 0.548 5.075 4.527 0.000 0.000 0.329 343 F C 1.104 176.821 175.800 -0.138 0.000 1.107 343 F CA -0.388 57.582 58.000 -0.050 0.000 1.137 343 F CB 1.898 40.837 39.000 -0.102 0.000 1.214 343 F HN 0.308 nan 8.300 nan 0.000 0.536 344 V N 5.684 125.577 119.914 -0.036 0.000 2.389 344 V HA 0.037 4.157 4.120 0.000 0.000 0.264 344 V C 0.735 176.549 176.094 -0.467 0.000 1.049 344 V CA 0.060 62.180 62.300 -0.301 0.000 0.932 344 V CB 0.312 31.841 31.823 -0.491 0.000 1.011 344 V HN 0.967 nan 8.190 nan 0.000 0.475 345 D N 4.733 124.977 120.400 -0.260 0.000 3.572 345 D HA -0.287 4.353 4.640 0.000 0.000 0.468 345 D C 0.957 177.202 176.300 -0.092 0.000 0.909 345 D CA 3.092 56.993 54.000 -0.164 0.000 1.493 345 D CB -0.359 40.386 40.800 -0.092 0.000 0.552 345 D HN 0.836 nan 8.370 nan 0.000 0.550 346 W N 0.601 121.943 121.300 0.070 0.000 3.151 346 W HA 0.485 5.145 4.660 0.000 0.000 0.424 346 W C -0.052 176.501 176.519 0.056 0.000 1.012 346 W CA -0.682 56.695 57.345 0.054 0.000 2.018 346 W CB -0.836 28.658 29.460 0.057 0.000 1.087 346 W HN 0.127 nan 8.180 nan 0.000 0.740 347 C N 3.747 123.049 119.300 0.003 0.000 2.505 347 C HA 0.378 4.838 4.460 0.000 0.000 0.342 347 C C -0.718 174.226 174.990 -0.076 0.000 1.121 347 C CA -1.764 57.297 59.018 0.072 0.000 1.306 347 C CB 0.534 28.220 27.740 -0.091 0.000 1.897 347 C HN 0.042 nan 8.230 nan 0.000 0.446 348 P HA -0.153 nan 4.420 nan 0.000 0.246 348 P C 0.208 177.200 177.300 -0.513 0.000 0.850 348 P CA 2.572 65.544 63.100 -0.212 0.000 1.109 348 P CB -0.060 31.544 31.700 -0.160 0.000 0.744 349 T N -4.764 109.346 114.554 -0.739 0.000 4.843 349 T HA 0.385 4.735 4.350 0.000 0.000 0.225 349 T C 0.768 174.962 174.700 -0.843 0.000 0.923 349 T CA -0.156 61.165 62.100 -1.299 0.000 1.212 349 T CB -0.428 68.047 68.868 -0.655 0.000 0.775 349 T HN 0.522 nan 8.240 nan 0.000 0.499 350 G N 2.201 110.601 108.800 -0.667 0.000 3.725 350 G HA2 -0.265 3.695 3.960 0.000 0.000 0.331 350 G HA3 -0.265 3.695 3.960 0.000 0.000 0.331 350 G C 0.424 175.246 174.900 -0.130 0.000 0.871 350 G CA 1.303 46.232 45.100 -0.285 0.000 0.725 350 G HN 1.058 nan 8.290 nan 0.000 1.346 351 F N -1.061 118.928 119.950 0.066 0.000 2.975 351 F HA -0.097 4.430 4.527 0.000 0.000 0.319 351 F C 1.342 177.172 175.800 0.051 0.000 0.976 351 F CA 0.448 58.491 58.000 0.071 0.000 1.072 351 F CB -1.836 37.194 39.000 0.051 0.000 1.165 351 F HN 0.726 nan 8.300 nan 0.000 0.758 352 K N 0.904 121.412 120.400 0.181 0.000 2.294 352 K HA 0.579 4.899 4.320 0.000 0.000 0.288 352 K C -0.002 176.688 176.600 0.149 0.000 1.072 352 K CA 0.062 56.420 56.287 0.119 0.000 0.960 352 K CB 0.339 32.877 32.500 0.064 0.000 1.043 352 K HN 0.250 nan 8.250 nan 0.000 0.455 353 V N 1.705 121.706 119.914 0.145 0.000 2.546 353 V HA 0.721 4.841 4.120 0.000 0.000 0.284 353 V C 0.974 177.132 176.094 0.106 0.000 1.050 353 V CA -0.449 61.943 62.300 0.154 0.000 0.981 353 V CB 1.606 33.491 31.823 0.105 0.000 0.990 353 V HN 0.934 nan 8.190 nan 0.000 0.474 354 G N 4.648 113.530 108.800 0.137 0.000 2.707 354 G HA2 0.739 4.699 3.960 0.000 0.000 0.299 354 G HA3 0.739 4.699 3.960 0.000 0.000 0.299 354 G C -1.237 173.718 174.900 0.093 0.000 1.442 354 G CA -0.531 44.618 45.100 0.082 0.000 1.009 354 G HN 0.600 nan 8.290 nan 0.000 0.515 355 I N 0.801 121.366 120.570 -0.009 0.000 2.441 355 I HA 0.402 4.572 4.170 0.000 0.000 0.295 355 I C -0.149 175.844 176.117 -0.206 0.000 0.994 355 I CA -0.775 60.501 61.300 -0.040 0.000 1.144 355 I CB 2.536 40.507 38.000 -0.049 0.000 1.314 355 I HN 0.410 nan 8.210 nan 0.000 0.445 356 N N 3.796 122.411 118.700 -0.141 0.000 2.841 356 N HA 0.323 5.063 4.740 0.000 0.000 0.257 356 N C 0.504 175.920 175.510 -0.156 0.000 1.396 356 N CA -0.414 52.503 53.050 -0.222 0.000 0.823 356 N CB 0.365 38.776 38.487 -0.127 0.000 1.162 356 N HN 0.581 nan 8.380 nan 0.000 0.503 357 Y N 0.192 120.450 120.300 -0.070 0.000 2.240 357 Y HA -0.368 4.182 4.550 0.000 0.000 0.278 357 Y C 1.201 177.028 175.900 -0.122 0.000 1.247 357 Y CA 0.634 58.688 58.100 -0.078 0.000 1.183 357 Y CB -0.187 38.238 38.460 -0.058 0.000 0.956 357 Y HN 0.537 nan 8.280 nan 0.000 0.533 358 E N 2.861 123.012 120.200 -0.082 0.000 2.498 358 E HA 0.071 4.421 4.350 0.000 0.000 0.252 358 E C -2.612 173.878 176.600 -0.184 0.000 1.025 358 E CA -1.716 54.545 56.400 -0.231 0.000 0.938 358 E CB 0.497 29.822 29.700 -0.626 0.000 0.947 358 E HN 0.035 nan 8.360 nan 0.000 0.478 359 P HA 0.083 nan 4.420 nan 0.000 0.269 359 P C -2.495 174.777 177.300 -0.047 0.000 1.215 359 P CA -1.152 61.919 63.100 -0.048 0.000 0.780 359 P CB 0.168 31.854 31.700 -0.024 0.000 0.898 360 P HA 0.087 nan 4.420 nan 0.000 0.273 360 P C -0.334 176.985 177.300 0.031 0.000 1.428 360 P CA -0.066 63.051 63.100 0.028 0.000 0.995 360 P CB -0.452 31.291 31.700 0.072 0.000 1.286 361 T N 0.534 115.102 114.554 0.023 0.000 2.897 361 T HA 0.492 4.842 4.350 0.000 0.000 0.294 361 T C 0.320 175.041 174.700 0.036 0.000 1.004 361 T CA -0.666 61.452 62.100 0.028 0.000 1.106 361 T CB 0.996 69.880 68.868 0.027 0.000 0.949 361 T HN 0.218 nan 8.240 nan 0.000 0.520 362 V N 1.336 121.270 119.914 0.033 0.000 2.960 362 V HA 0.773 4.893 4.120 0.000 0.000 0.315 362 V C 0.027 176.139 176.094 0.031 0.000 1.087 362 V CA -1.298 61.019 62.300 0.027 0.000 0.982 362 V CB 1.668 33.506 31.823 0.026 0.000 1.039 362 V HN 0.975 nan 8.190 nan 0.000 0.437 363 V N 2.405 122.335 119.914 0.027 0.000 2.901 363 V HA 0.174 4.294 4.120 0.000 0.000 0.307 363 V C -1.202 174.912 176.094 0.034 0.000 1.084 363 V CA -0.231 62.092 62.300 0.038 0.000 1.184 363 V CB -0.068 31.777 31.823 0.035 0.000 0.941 363 V HN 0.934 nan 8.190 nan 0.000 0.493 364 P HA 0.018 nan 4.420 nan 0.000 0.214 364 P C 1.360 178.674 177.300 0.022 0.000 1.162 364 P CA 1.576 64.695 63.100 0.031 0.000 0.874 364 P CB 0.047 31.767 31.700 0.034 0.000 0.784 365 G N -0.841 107.971 108.800 0.021 0.000 3.088 365 G HA2 0.239 4.199 3.960 0.000 0.000 0.212 365 G HA3 0.239 4.199 3.960 0.000 0.000 0.212 365 G C 0.835 175.743 174.900 0.013 0.000 1.173 365 G CA 0.148 45.257 45.100 0.014 0.000 0.779 365 G HN 0.418 nan 8.290 nan 0.000 0.540 366 G N 0.353 109.162 108.800 0.015 0.000 2.744 366 G HA2 0.245 4.205 3.960 0.000 0.000 0.257 366 G HA3 0.245 4.205 3.960 0.000 0.000 0.257 366 G C 0.290 175.194 174.900 0.006 0.000 1.244 366 G CA 0.205 45.312 45.100 0.011 0.000 0.916 366 G HN 0.252 nan 8.290 nan 0.000 0.564 367 D N -1.285 119.116 120.400 0.002 0.000 2.392 367 D HA 0.133 4.773 4.640 0.000 0.000 0.206 367 D C 0.427 176.729 176.300 0.003 0.000 1.046 367 D CA -0.007 53.993 54.000 -0.000 0.000 0.865 367 D CB 0.108 40.905 40.800 -0.006 0.000 0.969 367 D HN 0.228 nan 8.370 nan 0.000 0.509 368 L N 0.089 121.316 121.223 0.006 0.000 2.334 368 L HA 0.752 5.092 4.340 0.000 0.000 0.275 368 L C 0.199 177.081 176.870 0.021 0.000 1.036 368 L CA -1.451 53.399 54.840 0.016 0.000 0.807 368 L CB 1.020 43.091 42.059 0.019 0.000 1.231 368 L HN -0.172 nan 8.230 nan 0.000 0.438 369 A N 1.328 124.164 122.820 0.027 0.000 2.252 369 A HA 0.678 4.998 4.320 0.000 0.000 0.305 369 A C -0.192 177.411 177.584 0.032 0.000 1.097 369 A CA -0.761 51.290 52.037 0.025 0.000 0.849 369 A CB 0.410 19.422 19.000 0.020 0.000 1.142 369 A HN 0.825 nan 8.150 nan 0.000 0.499 370 K N -0.394 120.022 120.400 0.027 0.000 2.414 370 K HA 0.410 4.730 4.320 0.000 0.000 0.272 370 K C -0.590 176.027 176.600 0.029 0.000 0.993 370 K CA -0.186 56.118 56.287 0.028 0.000 0.964 370 K CB 0.334 32.846 32.500 0.021 0.000 0.925 370 K HN 0.541 nan 8.250 nan 0.000 0.487 371 V N 0.143 120.077 119.914 0.032 0.000 2.709 371 V HA 0.164 4.284 4.120 0.000 0.000 0.308 371 V C 0.753 176.858 176.094 0.018 0.000 1.062 371 V CA -1.140 61.175 62.300 0.026 0.000 0.901 371 V CB 1.648 33.490 31.823 0.033 0.000 1.003 371 V HN 0.796 nan 8.190 nan 0.000 0.425 372 Q N 2.066 121.873 119.800 0.012 0.000 2.135 372 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 372 Q C 0.616 176.624 176.000 0.013 0.000 0.981 372 Q CA 1.739 57.547 55.803 0.009 0.000 0.856 372 Q CB 0.072 28.814 28.738 0.006 0.000 0.902 372 Q HN 0.915 nan 8.270 nan 0.000 0.425 373 R N -1.957 118.550 120.500 0.012 0.000 2.594 373 R HA 0.755 5.095 4.340 0.000 0.000 0.265 373 R C -1.629 174.659 176.300 -0.020 0.000 1.070 373 R CA -0.457 55.654 56.100 0.020 0.000 0.909 373 R CB 1.301 31.629 30.300 0.047 0.000 1.243 373 R HN -0.059 nan 8.270 nan 0.000 0.455 374 A N 2.161 124.952 122.820 -0.048 0.000 2.475 374 A HA 0.730 5.050 4.320 0.000 0.000 0.301 374 A C -0.900 176.519 177.584 -0.275 0.000 1.059 374 A CA -0.738 51.177 52.037 -0.202 0.000 0.710 374 A CB 2.145 21.005 19.000 -0.232 0.000 1.288 374 A HN 0.441 nan 8.150 nan 0.000 0.408 375 V N -0.338 119.293 119.914 -0.470 0.000 2.994 375 V HA 0.530 4.650 4.120 0.000 0.000 0.318 375 V C 0.612 176.426 176.094 -0.466 0.000 1.085 375 V CA -0.375 61.576 62.300 -0.582 0.000 0.998 375 V CB 1.468 32.841 31.823 -0.750 0.000 1.063 375 V HN 1.168 nan 8.190 nan 0.000 0.447 376 C N 1.132 120.229 119.300 -0.340 0.000 3.054 376 C HA 0.453 4.913 4.460 0.000 0.000 0.527 376 C C 0.899 175.818 174.990 -0.118 0.000 1.347 376 C CA 0.339 59.265 59.018 -0.152 0.000 2.453 376 C CB -0.337 27.389 27.740 -0.024 0.000 3.406 376 C HN 1.032 nan 8.230 nan 0.000 0.562 377 M N 1.395 120.913 119.600 -0.137 0.000 4.032 377 M HA -0.185 4.295 4.480 0.000 0.000 0.157 377 M C -1.890 174.405 176.300 -0.009 0.000 1.530 377 M CA 0.834 56.083 55.300 -0.086 0.000 1.093 377 M CB -0.407 32.065 32.600 -0.214 0.000 1.345 377 M HN 0.353 nan 8.290 nan 0.000 0.208 378 L N 6.283 127.533 121.223 0.046 0.000 2.294 378 L HA 0.664 5.004 4.340 0.000 0.000 0.283 378 L C -0.103 176.844 176.870 0.128 0.000 1.015 378 L CA -0.638 54.267 54.840 0.107 0.000 0.831 378 L CB 1.671 43.810 42.059 0.132 0.000 1.217 378 L HN 0.804 nan 8.230 nan 0.000 0.420 379 S N 1.709 117.505 115.700 0.160 0.000 2.513 379 S HA 0.352 4.822 4.470 0.000 0.000 0.299 379 S C -0.542 174.160 174.600 0.170 0.000 1.087 379 S CA -0.897 57.425 58.200 0.202 0.000 1.012 379 S CB 2.215 65.639 63.200 0.373 0.000 1.044 379 S HN 0.633 nan 8.310 nan 0.000 0.485 380 N N 1.826 120.617 118.700 0.153 0.000 2.678 380 N HA 0.202 4.942 4.740 0.000 0.000 0.231 380 N C -0.613 174.956 175.510 0.097 0.000 1.038 380 N CA 0.007 53.150 53.050 0.155 0.000 0.932 380 N CB 0.654 39.240 38.487 0.164 0.000 1.176 380 N HN 0.676 nan 8.380 nan 0.000 0.511 381 T N 0.192 114.760 114.554 0.023 0.000 2.912 381 T HA 0.146 4.496 4.350 0.000 0.000 0.280 381 T C 1.720 176.454 174.700 0.057 0.000 0.989 381 T CA -0.327 61.686 62.100 -0.146 0.000 0.995 381 T CB 1.375 69.984 68.868 -0.431 0.000 1.077 381 T HN 0.499 nan 8.240 nan 0.000 0.531 382 T N 0.005 114.566 114.554 0.011 0.000 3.067 382 T HA 0.212 4.562 4.350 0.000 0.000 0.257 382 T C 1.979 176.698 174.700 0.032 0.000 1.105 382 T CA 0.688 62.890 62.100 0.170 0.000 1.104 382 T CB -0.399 68.539 68.868 0.117 0.000 0.925 382 T HN 0.626 nan 8.240 nan 0.000 0.498 383 A N 1.119 123.897 122.820 -0.069 0.000 2.209 383 A HA 0.324 4.644 4.320 0.000 0.000 0.212 383 A C 2.141 179.641 177.584 -0.140 0.000 1.158 383 A CA 0.209 52.212 52.037 -0.055 0.000 0.742 383 A CB -0.768 18.209 19.000 -0.039 0.000 0.790 383 A HN 0.540 nan 8.150 nan 0.000 0.472 384 I N -0.355 120.099 120.570 -0.193 0.000 2.830 384 I HA -0.119 4.051 4.170 0.000 0.000 0.263 384 I C 2.249 178.060 176.117 -0.512 0.000 1.230 384 I CA 1.191 62.303 61.300 -0.313 0.000 1.480 384 I CB -0.537 37.343 38.000 -0.200 0.000 1.095 384 I HN 0.363 nan 8.210 nan 0.000 0.455 385 A N -0.146 122.403 122.820 -0.452 0.000 2.168 385 A HA -0.147 4.173 4.320 0.000 0.000 0.215 385 A C 2.001 179.475 177.584 -0.182 0.000 1.152 385 A CA 0.677 52.508 52.037 -0.343 0.000 0.716 385 A CB -0.499 18.345 19.000 -0.261 0.000 0.794 385 A HN 0.464 nan 8.150 nan 0.000 0.465 386 E N -0.488 119.592 120.200 -0.199 0.000 2.338 386 E HA -0.057 4.293 4.350 0.000 0.000 0.197 386 E C 1.922 178.408 176.600 -0.189 0.000 1.007 386 E CA 0.693 57.006 56.400 -0.145 0.000 0.849 386 E CB -0.072 29.542 29.700 -0.144 0.000 0.774 386 E HN 0.673 nan 8.360 nan 0.000 0.506 387 A N -0.537 122.064 122.820 -0.364 0.000 2.044 387 A HA -0.031 4.289 4.320 0.000 0.000 0.213 387 A C 1.420 178.856 177.584 -0.247 0.000 1.169 387 A CA -0.065 51.697 52.037 -0.459 0.000 0.724 387 A CB -0.545 17.877 19.000 -0.963 0.000 0.840 387 A HN 0.343 nan 8.150 nan 0.000 0.463 388 W N -0.202 121.010 121.300 -0.146 0.000 2.519 388 W HA 0.108 4.768 4.660 0.000 0.000 0.266 388 W C 2.447 178.925 176.519 -0.069 0.000 1.253 388 W CA 0.494 57.764 57.345 -0.125 0.000 1.274 388 W CB 0.253 29.584 29.460 -0.215 0.000 1.114 388 W HN 0.413 nan 8.180 nan 0.000 0.596 389 A N 0.973 123.876 122.820 0.138 0.000 1.855 389 A HA -0.096 4.224 4.320 0.000 0.000 0.213 389 A C 1.955 179.608 177.584 0.115 0.000 1.195 389 A CA 0.889 52.987 52.037 0.103 0.000 0.610 389 A CB -0.670 18.360 19.000 0.051 0.000 0.837 389 A HN 0.181 nan 8.150 nan 0.000 0.444 390 R N -0.980 119.572 120.500 0.088 0.000 2.170 390 R HA -0.154 4.186 4.340 0.000 0.000 0.242 390 R C 1.752 178.141 176.300 0.147 0.000 1.145 390 R CA 1.368 57.529 56.100 0.102 0.000 0.984 390 R CB -0.504 29.856 30.300 0.100 0.000 0.869 390 R HN 0.405 nan 8.270 nan 0.000 0.455 391 L N 0.802 122.124 121.223 0.164 0.000 2.168 391 L HA -0.034 4.306 4.340 0.000 0.000 0.203 391 L C 1.551 178.504 176.870 0.138 0.000 1.078 391 L CA 1.662 56.571 54.840 0.115 0.000 0.780 391 L CB -0.349 41.771 42.059 0.103 0.000 0.939 391 L HN -0.024 nan 8.230 nan 0.000 0.451 392 D N -1.309 119.166 120.400 0.125 0.000 2.104 392 D HA -0.258 4.382 4.640 0.000 0.000 0.194 392 D C 2.054 178.470 176.300 0.192 0.000 0.994 392 D CA 1.396 55.448 54.000 0.087 0.000 0.830 392 D CB -0.282 40.541 40.800 0.037 0.000 0.959 392 D HN 0.408 nan 8.370 nan 0.000 0.452 393 H N 1.218 120.352 119.070 0.105 0.000 2.289 393 H HA -0.146 4.410 4.556 0.000 0.000 0.296 393 H C 1.999 177.407 175.328 0.133 0.000 1.091 393 H CA 2.018 58.130 56.048 0.107 0.000 1.274 393 H CB 0.222 30.026 29.762 0.070 0.000 1.364 393 H HN 0.001 nan 8.280 nan 0.000 0.490 394 K N -0.151 120.374 120.400 0.209 0.000 1.987 394 K HA -0.189 4.131 4.320 0.000 0.000 0.216 394 K C 2.283 178.968 176.600 0.141 0.000 1.051 394 K CA 1.900 58.264 56.287 0.128 0.000 0.942 394 K CB -0.650 31.908 32.500 0.096 0.000 0.722 394 K HN 0.202 nan 8.250 nan 0.000 0.444 395 F N 2.012 122.001 119.950 0.065 0.000 2.043 395 F HA -0.361 4.166 4.527 0.000 0.000 0.297 395 F C 1.837 177.764 175.800 0.212 0.000 1.121 395 F CA 1.823 59.933 58.000 0.183 0.000 1.199 395 F CB -0.238 38.849 39.000 0.145 0.000 0.968 395 F HN 0.100 nan 8.300 nan 0.000 0.478 396 D N 0.654 121.399 120.400 0.575 0.000 2.149 396 D HA -0.253 4.387 4.640 0.000 0.000 0.194 396 D C 2.178 178.581 176.300 0.172 0.000 1.001 396 D CA 1.874 56.098 54.000 0.374 0.000 0.849 396 D CB -0.642 40.265 40.800 0.178 0.000 0.939 396 D HN 0.493 nan 8.370 nan 0.000 0.449 397 L N -1.022 120.220 121.223 0.032 0.000 2.156 397 L HA -0.023 4.317 4.340 0.000 0.000 0.208 397 L C 2.178 179.064 176.870 0.026 0.000 1.095 397 L CA 0.954 55.770 54.840 -0.039 0.000 0.770 397 L CB -0.063 41.884 42.059 -0.187 0.000 0.914 397 L HN -0.031 nan 8.230 nan 0.000 0.439 398 M N -1.549 118.086 119.600 0.059 0.000 2.216 398 M HA -0.147 4.333 4.480 0.000 0.000 0.264 398 M C 2.200 178.588 176.300 0.146 0.000 1.080 398 M CA 1.422 56.769 55.300 0.078 0.000 1.153 398 M CB -0.274 32.310 32.600 -0.026 0.000 1.356 398 M HN 0.320 nan 8.290 nan 0.000 0.432 399 Y N 1.066 121.387 120.300 0.034 0.000 2.384 399 Y HA -0.188 4.362 4.550 0.000 0.000 0.289 399 Y C 2.130 178.013 175.900 -0.029 0.000 1.152 399 Y CA 1.284 59.343 58.100 -0.068 0.000 1.258 399 Y CB -0.331 37.967 38.460 -0.269 0.000 0.979 399 Y HN 0.253 nan 8.280 nan 0.000 0.549 400 A N -0.492 122.363 122.820 0.057 0.000 2.186 400 A HA -0.164 4.156 4.320 0.000 0.000 0.219 400 A C 1.744 179.278 177.584 -0.084 0.000 1.159 400 A CA 1.803 53.842 52.037 0.003 0.000 0.680 400 A CB -0.380 18.636 19.000 0.028 0.000 0.787 400 A HN 0.489 nan 8.150 nan 0.000 0.467 401 K N -2.196 118.132 120.400 -0.121 0.000 2.609 401 K HA 0.179 4.499 4.320 0.000 0.000 0.195 401 K C -0.032 176.465 176.600 -0.172 0.000 1.144 401 K CA -0.414 55.797 56.287 -0.126 0.000 1.084 401 K CB 0.783 33.245 32.500 -0.064 0.000 0.877 401 K HN 0.146 nan 8.250 nan 0.000 0.540 402 R N -0.911 119.406 120.500 -0.305 0.000 3.863 402 R HA -0.278 4.062 4.340 0.000 0.000 0.313 402 R C 0.992 177.262 176.300 -0.050 0.000 1.202 402 R CA 0.819 56.728 56.100 -0.319 0.000 0.852 402 R CB -2.899 27.214 30.300 -0.313 0.000 1.292 402 R HN 0.442 nan 8.270 nan 0.000 0.519 403 A N 0.007 122.862 122.820 0.058 0.000 1.886 403 A HA -0.272 4.048 4.320 0.000 0.000 0.240 403 A C 1.484 179.152 177.584 0.139 0.000 1.875 403 A CA 2.537 54.667 52.037 0.155 0.000 0.760 403 A CB -0.649 18.570 19.000 0.365 0.000 0.849 403 A HN 0.358 nan 8.150 nan 0.000 0.505 404 F N -3.728 116.425 119.950 0.338 0.000 2.856 404 F HA 0.245 4.772 4.527 0.000 0.000 0.338 404 F C 1.608 177.686 175.800 0.463 0.000 1.100 404 F CA -0.063 58.208 58.000 0.451 0.000 1.150 404 F CB 0.219 39.488 39.000 0.450 0.000 1.101 404 F HN 0.030 nan 8.300 nan 0.000 0.548 405 V N 2.058 122.211 119.914 0.398 0.000 2.357 405 V HA -0.387 3.734 4.120 0.000 0.000 0.257 405 V C 2.891 179.085 176.094 0.168 0.000 1.082 405 V CA 2.839 65.146 62.300 0.012 0.000 1.078 405 V CB -0.566 30.975 31.823 -0.469 0.000 0.663 405 V HN 0.613 nan 8.190 nan 0.000 0.455 406 H N -3.167 115.945 119.070 0.069 0.000 2.489 406 H HA -0.243 4.313 4.556 0.000 0.000 0.295 406 H C 2.022 177.346 175.328 -0.007 0.000 1.082 406 H CA 1.870 57.889 56.048 -0.049 0.000 1.295 406 H CB -0.723 28.912 29.762 -0.213 0.000 1.380 406 H HN 0.639 nan 8.280 nan 0.000 0.548 407 W N 0.611 121.667 121.300 -0.407 0.000 2.467 407 W HA -0.039 4.622 4.660 0.000 0.000 0.275 407 W C 1.716 178.184 176.519 -0.085 0.000 1.239 407 W CA 0.506 57.682 57.345 -0.282 0.000 1.266 407 W CB -0.182 29.106 29.460 -0.287 0.000 1.112 407 W HN 0.132 nan 8.180 nan 0.000 0.576 408 Y N -0.923 119.568 120.300 0.319 0.000 2.269 408 Y HA -0.138 4.413 4.550 0.000 0.000 0.294 408 Y C 2.299 178.346 175.900 0.245 0.000 1.120 408 Y CA 0.944 59.258 58.100 0.356 0.000 1.159 408 Y CB -1.143 37.628 38.460 0.518 0.000 1.024 408 Y HN -0.314 nan 8.280 nan 0.000 0.532 409 V N -0.231 119.874 119.914 0.318 0.000 2.568 409 V HA -0.247 3.873 4.120 0.000 0.000 0.253 409 V C 2.466 178.638 176.094 0.130 0.000 1.072 409 V CA 1.798 64.207 62.300 0.180 0.000 1.084 409 V CB -1.538 30.346 31.823 0.101 0.000 0.676 409 V HN 0.565 nan 8.190 nan 0.000 0.469 410 G N -0.061 108.815 108.800 0.127 0.000 2.418 410 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 410 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 410 G C 1.443 176.409 174.900 0.110 0.000 1.158 410 G CA 0.585 45.740 45.100 0.093 0.000 0.771 410 G HN 0.512 nan 8.290 nan 0.000 0.545 411 E N 0.158 120.448 120.200 0.150 0.000 2.358 411 E HA 0.111 4.461 4.350 0.000 0.000 0.195 411 E C 1.712 178.360 176.600 0.081 0.000 1.010 411 E CA 0.782 57.265 56.400 0.138 0.000 0.856 411 E CB 0.141 29.956 29.700 0.191 0.000 0.795 411 E HN 0.512 nan 8.360 nan 0.000 0.504 412 G N 1.043 109.878 108.800 0.059 0.000 2.148 412 G HA2 -0.173 3.787 3.960 0.000 0.000 0.120 412 G HA3 -0.173 3.787 3.960 0.000 0.000 0.120 412 G C 0.003 174.838 174.900 -0.109 0.000 1.034 412 G CA -0.053 45.026 45.100 -0.035 0.000 0.710 412 G HN 0.098 nan 8.290 nan 0.000 0.495 413 M N 0.260 119.881 119.600 0.034 0.000 2.444 413 M HA 0.640 5.120 4.480 0.000 0.000 0.319 413 M C 0.289 176.671 176.300 0.138 0.000 1.183 413 M CA -0.541 54.819 55.300 0.099 0.000 1.032 413 M CB 1.244 34.068 32.600 0.374 0.000 1.569 413 M HN 0.164 nan 8.290 nan 0.000 0.468 414 E N 0.681 120.974 120.200 0.154 0.000 2.266 414 E HA 0.078 4.428 4.350 0.000 0.000 0.277 414 E C 0.155 176.873 176.600 0.197 0.000 1.018 414 E CA 0.033 56.515 56.400 0.137 0.000 0.840 414 E CB 1.124 30.890 29.700 0.110 0.000 1.082 414 E HN 0.596 nan 8.360 nan 0.000 0.395 415 E N 2.181 122.463 120.200 0.137 0.000 2.204 415 E HA -0.157 4.194 4.350 0.000 0.000 0.195 415 E C 1.564 178.285 176.600 0.201 0.000 0.990 415 E CA 0.930 57.412 56.400 0.137 0.000 0.821 415 E CB 0.053 29.787 29.700 0.056 0.000 0.750 415 E HN 0.814 nan 8.360 nan 0.000 0.477 416 G N 0.939 109.829 108.800 0.149 0.000 2.422 416 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 416 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 416 G C 1.354 176.323 174.900 0.115 0.000 1.146 416 G CA 0.647 45.817 45.100 0.117 0.000 0.769 416 G HN 0.280 nan 8.290 nan 0.000 0.547 417 E N -0.746 119.544 120.200 0.149 0.000 2.265 417 E HA -0.091 4.259 4.350 0.000 0.000 0.196 417 E C 1.898 178.504 176.600 0.011 0.000 0.996 417 E CA 0.378 56.839 56.400 0.102 0.000 0.832 417 E CB -0.159 29.635 29.700 0.157 0.000 0.756 417 E HN 0.492 nan 8.360 nan 0.000 0.491 418 F N 0.036 119.945 119.950 -0.070 0.000 2.163 418 F HA -0.110 4.417 4.527 0.000 0.000 0.297 418 F C 2.624 178.276 175.800 -0.247 0.000 1.094 418 F CA 1.022 58.922 58.000 -0.166 0.000 1.290 418 F CB -0.214 38.688 39.000 -0.164 0.000 1.017 418 F HN -0.031 nan 8.300 nan 0.000 0.483 419 S N -0.378 115.316 115.700 -0.010 0.000 2.344 419 S HA -0.246 4.224 4.470 0.000 0.000 0.217 419 S C 2.051 176.551 174.600 -0.167 0.000 1.033 419 S CA 1.343 59.483 58.200 -0.101 0.000 1.017 419 S CB -0.581 62.615 63.200 -0.006 0.000 0.941 419 S HN 0.417 nan 8.310 nan 0.000 0.430 420 E N 1.127 121.249 120.200 -0.129 0.000 2.253 420 E HA -0.257 4.093 4.350 0.000 0.000 0.202 420 E C 1.831 178.160 176.600 -0.452 0.000 1.014 420 E CA 1.321 57.604 56.400 -0.195 0.000 0.823 420 E CB -0.172 29.481 29.700 -0.078 0.000 0.736 420 E HN 0.473 nan 8.360 nan 0.000 0.478 421 A N 0.827 123.358 122.820 -0.481 0.000 1.887 421 A HA -0.029 4.291 4.320 0.000 0.000 0.212 421 A C 2.150 179.352 177.584 -0.637 0.000 1.198 421 A CA 1.009 52.614 52.037 -0.719 0.000 0.628 421 A CB -0.312 18.418 19.000 -0.451 0.000 0.847 421 A HN 0.134 nan 8.150 nan 0.000 0.449 422 R N 0.521 120.669 120.500 -0.587 0.000 2.120 422 R HA -0.077 4.263 4.340 0.000 0.000 0.234 422 R C 1.702 177.744 176.300 -0.430 0.000 1.123 422 R CA 1.622 57.333 56.100 -0.649 0.000 0.975 422 R CB -0.503 29.392 30.300 -0.675 0.000 0.866 422 R HN 0.471 nan 8.270 nan 0.000 0.446 423 E N 0.359 120.342 120.200 -0.362 0.000 2.160 423 E HA -0.188 4.162 4.350 0.000 0.000 0.195 423 E C 1.145 177.579 176.600 -0.276 0.000 0.991 423 E CA 1.357 57.596 56.400 -0.268 0.000 0.810 423 E CB -0.184 29.382 29.700 -0.224 0.000 0.742 423 E HN 0.390 nan 8.360 nan 0.000 0.466 424 D N -0.593 119.578 120.400 -0.382 0.000 2.183 424 D HA -0.032 4.608 4.640 0.000 0.000 0.205 424 D C 1.767 177.897 176.300 -0.282 0.000 0.962 424 D CA 0.478 54.288 54.000 -0.317 0.000 0.849 424 D CB 0.132 40.708 40.800 -0.372 0.000 0.978 424 D HN 0.026 nan 8.370 nan 0.000 0.488 425 M N 0.195 119.587 119.600 -0.346 0.000 2.296 425 M HA 0.028 4.508 4.480 0.000 0.000 0.265 425 M C 2.101 178.264 176.300 -0.229 0.000 1.064 425 M CA 0.521 55.619 55.300 -0.336 0.000 1.109 425 M CB -0.787 31.575 32.600 -0.395 0.000 1.396 425 M HN 0.016 nan 8.290 nan 0.000 0.430 426 A N 0.301 123.000 122.820 -0.202 0.000 1.898 426 A HA 0.061 4.381 4.320 0.000 0.000 0.216 426 A C 2.441 179.967 177.584 -0.097 0.000 1.181 426 A CA 1.831 53.793 52.037 -0.126 0.000 0.620 426 A CB -0.782 18.148 19.000 -0.116 0.000 0.819 426 A HN 0.437 nan 8.150 nan 0.000 0.442 427 A N -0.318 122.431 122.820 -0.119 0.000 1.858 427 A HA -0.036 4.284 4.320 0.000 0.000 0.216 427 A C 2.180 179.718 177.584 -0.077 0.000 1.190 427 A CA 1.677 53.658 52.037 -0.092 0.000 0.617 427 A CB -0.789 18.148 19.000 -0.104 0.000 0.827 427 A HN 0.667 nan 8.150 nan 0.000 0.443 428 L N -0.010 121.145 121.223 -0.113 0.000 1.990 428 L HA -0.224 4.116 4.340 0.000 0.000 0.213 428 L C 2.320 179.219 176.870 0.048 0.000 1.072 428 L CA 2.536 57.326 54.840 -0.082 0.000 0.755 428 L CB -0.558 41.365 42.059 -0.227 0.000 0.889 428 L HN 0.520 nan 8.230 nan 0.000 0.432 429 E N -0.693 119.514 120.200 0.012 0.000 2.219 429 E HA -0.274 4.076 4.350 0.000 0.000 0.198 429 E C 2.092 178.755 176.600 0.105 0.000 0.998 429 E CA 1.074 57.530 56.400 0.094 0.000 0.818 429 E CB -0.036 29.690 29.700 0.044 0.000 0.741 429 E HN 0.420 nan 8.360 nan 0.000 0.477 430 K N 0.643 121.071 120.400 0.047 0.000 2.021 430 K HA -0.122 4.198 4.320 0.000 0.000 0.205 430 K C 1.617 178.239 176.600 0.036 0.000 1.047 430 K CA 1.004 57.310 56.287 0.032 0.000 0.943 430 K CB 0.054 32.551 32.500 -0.004 0.000 0.725 430 K HN 0.041 nan 8.250 nan 0.000 0.439 431 D N 0.124 120.529 120.400 0.009 0.000 2.106 431 D HA -0.205 4.435 4.640 0.000 0.000 0.191 431 D C 1.973 178.266 176.300 -0.012 0.000 0.997 431 D CA 1.354 55.327 54.000 -0.045 0.000 0.834 431 D CB -0.548 40.191 40.800 -0.101 0.000 0.956 431 D HN 0.225 nan 8.370 nan 0.000 0.448 432 Y N 1.346 121.680 120.300 0.057 0.000 2.081 432 Y HA -0.211 4.339 4.550 0.000 0.000 0.280 432 Y C 2.603 178.548 175.900 0.074 0.000 1.163 432 Y CA 1.719 59.886 58.100 0.112 0.000 1.135 432 Y CB -0.055 38.489 38.460 0.140 0.000 0.970 432 Y HN 0.004 nan 8.280 nan 0.000 0.498 433 E N 0.153 120.483 120.200 0.216 0.000 2.204 433 E HA -0.229 4.121 4.350 0.000 0.000 0.195 433 E C 1.813 178.457 176.600 0.074 0.000 0.990 433 E CA 0.983 57.457 56.400 0.123 0.000 0.821 433 E CB -0.044 29.713 29.700 0.094 0.000 0.750 433 E HN 0.582 nan 8.360 nan 0.000 0.477 434 E N -0.242 119.989 120.200 0.051 0.000 2.268 434 E HA -0.111 4.239 4.350 0.000 0.000 0.195 434 E C 1.926 178.545 176.600 0.030 0.000 0.995 434 E CA 0.479 56.890 56.400 0.018 0.000 0.836 434 E CB 0.341 30.026 29.700 -0.024 0.000 0.763 434 E HN 0.142 nan 8.360 nan 0.000 0.491 435 V N 0.832 120.776 119.914 0.049 0.000 2.809 435 V HA -0.068 4.052 4.120 0.000 0.000 0.256 435 V C 1.363 177.564 176.094 0.179 0.000 1.080 435 V CA 0.864 63.246 62.300 0.136 0.000 1.102 435 V CB -0.533 31.377 31.823 0.145 0.000 0.705 435 V HN 0.180 nan 8.190 nan 0.000 0.475 436 G N 0.605 109.460 108.800 0.091 0.000 2.265 436 G HA2 0.296 4.256 3.960 0.000 0.000 0.240 436 G HA3 0.296 4.256 3.960 0.000 0.000 0.240 436 G C 0.251 175.186 174.900 0.058 0.000 1.270 436 G CA 0.095 45.220 45.100 0.042 0.000 0.901 436 G HN 0.107 nan 8.290 nan 0.000 0.507 437 V N 0.000 119.930 119.914 0.026 0.000 2.409 437 V HA 0.000 4.120 4.120 0.000 0.000 0.244 437 V CA 0.000 62.324 62.300 0.041 0.000 1.235 437 V CB 0.000 31.827 31.823 0.007 0.000 1.184 437 V HN 0.000 nan 8.190 nan 0.000 0.556