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 2vg7_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXXX WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE L 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.359 177.300 0.099 0.000 1.155 1 P CA 0.000 63.147 63.100 0.079 0.000 0.800 1 P CB 0.000 31.740 31.700 0.066 0.000 0.726 2 I N 0.139 120.760 120.570 0.085 0.000 2.468 2 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 2 I C 0.087 176.265 176.117 0.101 0.000 1.039 2 I CA -0.626 60.733 61.300 0.099 0.000 1.074 2 I CB 1.937 39.983 38.000 0.077 0.000 1.228 2 I HN 0.290 nan 8.210 nan 0.000 0.436 3 S N 7.397 123.178 115.700 0.135 0.000 2.558 3 S HA 0.185 4.655 4.470 -0.000 0.000 0.288 3 S C -1.341 173.354 174.600 0.160 0.000 1.318 3 S CA -0.754 57.549 58.200 0.172 0.000 1.056 3 S CB 0.689 64.013 63.200 0.207 0.000 0.853 3 S HN 0.500 nan 8.310 nan 0.000 0.505 4 P HA 0.141 nan 4.420 nan 0.000 0.249 4 P C 0.421 177.869 177.300 0.246 0.000 1.229 4 P CA -0.248 62.933 63.100 0.136 0.000 0.788 4 P CB -0.232 31.476 31.700 0.014 0.000 1.072 5 I N 1.431 122.216 120.570 0.359 0.000 2.906 5 I HA -0.118 4.052 4.170 -0.000 0.000 0.302 5 I C 0.861 177.066 176.117 0.146 0.000 1.220 5 I CA -0.063 61.402 61.300 0.274 0.000 1.441 5 I CB -0.114 37.935 38.000 0.082 0.000 1.336 5 I HN -0.042 nan 8.210 nan 0.000 0.565 6 E N 5.003 125.276 120.200 0.121 0.000 2.467 6 E HA 0.026 4.376 4.350 -0.000 0.000 0.264 6 E C -0.171 176.460 176.600 0.052 0.000 1.020 6 E CA 0.170 56.616 56.400 0.077 0.000 0.945 6 E CB 0.495 30.233 29.700 0.064 0.000 0.942 6 E HN 0.727 nan 8.360 nan 0.000 0.449 7 T N 0.092 114.676 114.554 0.050 0.000 2.788 7 T HA 0.357 4.707 4.350 -0.000 0.000 0.280 7 T C -0.010 174.712 174.700 0.037 0.000 0.984 7 T CA -1.026 61.100 62.100 0.044 0.000 0.972 7 T CB 1.126 70.024 68.868 0.050 0.000 1.039 7 T HN 0.206 nan 8.240 nan 0.000 0.530 8 V N 2.889 122.825 119.914 0.037 0.000 2.370 8 V HA 0.359 4.479 4.120 -0.000 0.000 0.279 8 V C -2.257 173.875 176.094 0.062 0.000 1.029 8 V CA -2.064 60.262 62.300 0.043 0.000 0.870 8 V CB 0.975 32.818 31.823 0.033 0.000 0.984 8 V HN 0.806 nan 8.190 nan 0.000 0.451 9 P HA 0.140 nan 4.420 nan 0.000 0.265 9 P C -0.550 176.802 177.300 0.086 0.000 1.222 9 P CA 0.258 63.404 63.100 0.076 0.000 0.767 9 P CB 0.403 32.143 31.700 0.067 0.000 0.801 10 V N 5.023 124.972 119.914 0.059 0.000 2.713 10 V HA 0.490 4.610 4.120 -0.000 0.000 0.307 10 V C 0.427 176.562 176.094 0.068 0.000 1.052 10 V CA -0.417 61.864 62.300 -0.030 0.000 0.967 10 V CB 1.726 33.283 31.823 -0.443 0.000 1.019 10 V HN 0.440 nan 8.190 nan 0.000 0.459 11 K N 2.641 123.086 120.400 0.076 0.000 2.512 11 K HA 0.620 4.939 4.320 -0.000 0.000 0.263 11 K C -1.446 175.304 176.600 0.249 0.000 0.966 11 K CA -0.889 55.538 56.287 0.234 0.000 0.851 11 K CB 2.645 35.221 32.500 0.127 0.000 1.395 11 K HN 0.371 nan 8.250 nan 0.000 0.440 12 L N 1.790 123.170 121.223 0.261 0.000 2.456 12 L HA 0.285 4.625 4.340 -0.000 0.000 0.257 12 L C 0.639 177.533 176.870 0.039 0.000 1.162 12 L CA -0.416 54.492 54.840 0.114 0.000 0.808 12 L CB 0.388 42.418 42.059 -0.049 0.000 1.136 12 L HN 0.401 nan 8.230 nan 0.000 0.466 13 K N 1.474 121.876 120.400 0.003 0.000 2.285 13 K HA 0.007 4.327 4.320 -0.000 0.000 0.255 13 K C -1.517 175.083 176.600 -0.001 0.000 1.000 13 K CA -1.003 55.276 56.287 -0.014 0.000 0.887 13 K CB -0.158 32.330 32.500 -0.020 0.000 0.997 13 K HN 0.328 nan 8.250 nan 0.000 0.510 14 P HA -0.247 nan 4.420 nan 0.000 0.211 14 P C 0.526 177.834 177.300 0.014 0.000 0.948 14 P CA 1.646 64.750 63.100 0.006 0.000 1.010 14 P CB -0.060 31.641 31.700 0.003 0.000 0.737 15 G N -1.495 107.313 108.800 0.013 0.000 4.873 15 G HA2 0.547 4.507 3.960 -0.000 0.000 0.314 15 G HA3 0.547 4.507 3.960 -0.000 0.000 0.314 15 G C -0.239 174.670 174.900 0.016 0.000 1.426 15 G CA -0.169 44.942 45.100 0.018 0.000 1.136 15 G HN 0.077 nan 8.290 nan 0.000 0.589 16 M N 0.237 119.842 119.600 0.007 0.000 2.591 16 M HA 0.435 4.915 4.480 -0.000 0.000 0.306 16 M C -1.274 175.010 176.300 -0.025 0.000 1.190 16 M CA -0.881 54.416 55.300 -0.004 0.000 0.889 16 M CB 2.696 35.288 32.600 -0.013 0.000 1.728 16 M HN 0.142 nan 8.290 nan 0.000 0.458 17 D N 0.222 120.610 120.400 -0.020 0.000 2.449 17 D HA 0.583 5.223 4.640 -0.000 0.000 0.250 17 D C -0.093 176.115 176.300 -0.152 0.000 1.050 17 D CA -0.071 53.913 54.000 -0.026 0.000 1.024 17 D CB 1.588 42.456 40.800 0.114 0.000 1.218 17 D HN 0.684 nan 8.370 nan 0.000 0.566 18 G N 0.515 109.133 108.800 -0.303 0.000 2.630 18 G HA2 0.301 4.261 3.960 -0.000 0.000 0.236 18 G HA3 0.301 4.261 3.960 -0.000 0.000 0.236 18 G C -2.174 172.735 174.900 0.015 0.000 1.248 18 G CA -0.675 44.078 45.100 -0.580 0.000 0.844 18 G HN 0.443 nan 8.290 nan 0.000 0.588 19 P HA 0.307 nan 4.420 nan 0.000 0.276 19 P C -0.660 176.775 177.300 0.225 0.000 1.244 19 P CA -0.465 62.714 63.100 0.132 0.000 0.801 19 P CB 1.491 33.264 31.700 0.122 0.000 1.006 20 K N 1.489 121.985 120.400 0.159 0.000 3.218 20 K HA 0.295 4.615 4.320 -0.000 0.000 0.187 20 K C -1.809 174.844 176.600 0.087 0.000 1.186 20 K CA -0.741 55.623 56.287 0.128 0.000 0.827 20 K CB -0.351 32.212 32.500 0.105 0.000 1.083 20 K HN 0.217 nan 8.250 nan 0.000 0.583 21 V N 2.676 122.641 119.914 0.085 0.000 2.612 21 V HA 0.649 4.769 4.120 -0.000 0.000 0.301 21 V C -0.625 175.482 176.094 0.022 0.000 1.046 21 V CA -0.506 61.837 62.300 0.070 0.000 0.946 21 V CB 0.988 32.873 31.823 0.103 0.000 1.003 21 V HN 0.568 nan 8.190 nan 0.000 0.459 22 K N 4.503 124.912 120.400 0.014 0.000 2.087 22 K HA 0.484 4.804 4.320 -0.000 0.000 0.255 22 K C -0.772 175.729 176.600 -0.164 0.000 0.988 22 K CA -0.805 55.459 56.287 -0.038 0.000 0.915 22 K CB 0.919 33.421 32.500 0.004 0.000 1.043 22 K HN 0.590 nan 8.250 nan 0.000 0.457 23 Q N 1.843 121.515 119.800 -0.212 0.000 2.294 23 Q HA 0.113 4.453 4.340 -0.000 0.000 0.257 23 Q C -0.598 175.248 176.000 -0.257 0.000 0.955 23 Q CA -0.133 55.421 55.803 -0.415 0.000 0.936 23 Q CB 0.704 29.285 28.738 -0.262 0.000 1.188 23 Q HN 0.568 nan 8.270 nan 0.000 0.420 24 W N 4.475 125.795 121.300 0.034 0.000 2.666 24 W HA 0.233 4.893 4.660 -0.000 0.000 0.365 24 W C -2.269 174.266 176.519 0.027 0.000 1.224 24 W CA -2.524 54.832 57.345 0.018 0.000 1.515 24 W CB -1.051 28.407 29.460 -0.003 0.000 1.562 24 W HN 0.315 nan 8.180 nan 0.000 0.455 25 P HA -0.172 nan 4.420 nan 0.000 0.267 25 P C 0.505 177.897 177.300 0.153 0.000 1.175 25 P CA 0.624 63.787 63.100 0.105 0.000 0.763 25 P CB 0.640 32.388 31.700 0.079 0.000 0.795 26 L N 1.102 122.395 121.223 0.117 0.000 2.805 26 L HA 0.511 4.850 4.340 -0.000 0.000 0.242 26 L C 1.281 178.200 176.870 0.083 0.000 1.180 26 L CA -0.219 54.700 54.840 0.130 0.000 1.001 26 L CB -0.596 41.536 42.059 0.121 0.000 1.864 26 L HN 0.374 nan 8.230 nan 0.000 0.551 27 T N -3.588 111.009 114.554 0.072 0.000 2.943 27 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 27 T C 0.977 175.688 174.700 0.017 0.000 1.015 27 T CA -0.614 61.517 62.100 0.052 0.000 1.042 27 T CB 1.680 70.592 68.868 0.072 0.000 1.055 27 T HN 0.424 nan 8.240 nan 0.000 0.500 28 E N 1.132 121.342 120.200 0.017 0.000 2.082 28 E HA -0.279 4.070 4.350 -0.000 0.000 0.215 28 E C 2.124 178.702 176.600 -0.038 0.000 1.048 28 E CA 2.346 58.745 56.400 -0.002 0.000 0.869 28 E CB -0.227 29.481 29.700 0.013 0.000 0.773 28 E HN 0.955 nan 8.360 nan 0.000 0.466 29 E N 1.365 121.547 120.200 -0.030 0.000 2.031 29 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 29 E C 1.931 178.333 176.600 -0.329 0.000 0.994 29 E CA 1.187 57.526 56.400 -0.102 0.000 0.800 29 E CB -0.470 29.259 29.700 0.048 0.000 0.752 29 E HN 0.184 nan 8.360 nan 0.000 0.447 30 K N 0.443 120.658 120.400 -0.309 0.000 2.089 30 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 30 K C 2.380 178.816 176.600 -0.274 0.000 1.048 30 K CA 1.707 57.753 56.287 -0.402 0.000 0.926 30 K CB -0.248 32.192 32.500 -0.100 0.000 0.714 30 K HN 0.227 nan 8.250 nan 0.000 0.448 31 I N 1.556 122.038 120.570 -0.147 0.000 2.163 31 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 31 I C 2.505 178.539 176.117 -0.137 0.000 1.085 31 I CA 1.548 62.789 61.300 -0.099 0.000 1.347 31 I CB -0.709 37.260 38.000 -0.053 0.000 1.044 31 I HN 0.270 nan 8.210 nan 0.000 0.408 32 K N 1.071 121.366 120.400 -0.174 0.000 2.057 32 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 32 K C 2.249 178.711 176.600 -0.230 0.000 1.050 32 K CA 1.374 57.563 56.287 -0.163 0.000 0.935 32 K CB 0.008 32.428 32.500 -0.133 0.000 0.715 32 K HN 0.237 nan 8.250 nan 0.000 0.439 33 A N 1.313 123.873 122.820 -0.434 0.000 1.865 33 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 33 A C 1.983 179.422 177.584 -0.241 0.000 1.191 33 A CA 1.241 52.980 52.037 -0.498 0.000 0.623 33 A CB -0.679 17.665 19.000 -1.092 0.000 0.826 33 A HN 0.282 nan 8.150 nan 0.000 0.444 34 L N -0.226 120.873 121.223 -0.206 0.000 2.081 34 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 34 L C 2.628 179.453 176.870 -0.076 0.000 1.080 34 L CA 1.527 56.309 54.840 -0.097 0.000 0.754 34 L CB -1.073 40.955 42.059 -0.052 0.000 0.893 34 L HN 0.238 nan 8.230 nan 0.000 0.433 35 V N -0.695 119.172 119.914 -0.077 0.000 2.307 35 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 35 V C 2.366 178.430 176.094 -0.051 0.000 1.045 35 V CA 1.439 63.710 62.300 -0.048 0.000 1.024 35 V CB -0.514 31.289 31.823 -0.034 0.000 0.651 35 V HN 0.460 nan 8.190 nan 0.000 0.449 36 E N 0.233 120.400 120.200 -0.055 0.000 2.033 36 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 36 E C 2.155 178.738 176.600 -0.029 0.000 1.011 36 E CA 1.988 58.368 56.400 -0.033 0.000 0.815 36 E CB -0.358 29.326 29.700 -0.025 0.000 0.755 36 E HN 0.534 nan 8.360 nan 0.000 0.451 37 I N 1.005 121.555 120.570 -0.034 0.000 2.099 37 I HA -0.346 3.824 4.170 -0.000 0.000 0.239 37 I C 2.690 178.768 176.117 -0.065 0.000 1.066 37 I CA 1.082 62.371 61.300 -0.019 0.000 1.324 37 I CB -0.373 37.627 38.000 0.001 0.000 1.037 37 I HN 0.248 nan 8.210 nan 0.000 0.401 38 C N 0.142 119.363 119.300 -0.132 0.000 2.398 38 C HA -0.201 4.259 4.460 -0.000 0.000 0.276 38 C C 3.002 177.849 174.990 -0.239 0.000 1.222 38 C CA 1.660 60.498 59.018 -0.299 0.000 1.746 38 C CB -1.358 26.066 27.740 -0.528 0.000 2.039 38 C HN 0.537 nan 8.230 nan 0.000 0.470 39 T N 0.482 114.964 114.554 -0.120 0.000 2.653 39 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 39 T C 1.686 176.364 174.700 -0.038 0.000 1.035 39 T CA 2.174 64.247 62.100 -0.044 0.000 1.154 39 T CB -0.368 68.493 68.868 -0.013 0.000 0.862 39 T HN 0.598 nan 8.240 nan 0.000 0.441 40 E N 1.037 121.218 120.200 -0.032 0.000 2.017 40 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 40 E C 2.212 178.800 176.600 -0.020 0.000 0.997 40 E CA 1.453 57.847 56.400 -0.010 0.000 0.804 40 E CB -0.492 29.215 29.700 0.011 0.000 0.757 40 E HN 0.480 nan 8.360 nan 0.000 0.448 41 M N 0.274 119.847 119.600 -0.045 0.000 2.089 41 M HA -0.235 4.245 4.480 -0.000 0.000 0.257 41 M C 2.413 178.655 176.300 -0.097 0.000 1.071 41 M CA 2.152 57.405 55.300 -0.078 0.000 1.096 41 M CB -0.415 32.094 32.600 -0.152 0.000 1.330 41 M HN 0.224 nan 8.290 nan 0.000 0.403 42 E N 0.472 120.607 120.200 -0.109 0.000 2.118 42 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 42 E C 1.985 178.576 176.600 -0.015 0.000 0.992 42 E CA 1.408 57.780 56.400 -0.046 0.000 0.804 42 E CB -0.006 29.705 29.700 0.019 0.000 0.741 42 E HN 0.400 nan 8.360 nan 0.000 0.458 43 K N 0.265 120.657 120.400 -0.012 0.000 2.097 43 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 43 K C 1.820 178.420 176.600 0.001 0.000 1.050 43 K CA 1.333 57.620 56.287 -0.001 0.000 0.938 43 K CB 0.106 32.608 32.500 0.003 0.000 0.718 43 K HN -0.045 nan 8.250 nan 0.000 0.442 44 E N -0.838 119.361 120.200 -0.002 0.000 2.338 44 E HA -0.033 4.317 4.350 -0.000 0.000 0.197 44 E C 0.942 177.543 176.600 0.002 0.000 1.007 44 E CA 0.975 57.381 56.400 0.010 0.000 0.849 44 E CB 0.204 29.919 29.700 0.025 0.000 0.774 44 E HN 0.584 nan 8.360 nan 0.000 0.506 45 G N -0.035 108.755 108.800 -0.016 0.000 2.175 45 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.244 45 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.244 45 G C 1.120 175.997 174.900 -0.039 0.000 0.982 45 G CA 0.609 45.699 45.100 -0.016 0.000 0.641 45 G HN 0.225 nan 8.290 nan 0.000 0.527 46 K N 0.229 120.579 120.400 -0.083 0.000 2.280 46 K HA 0.248 4.567 4.320 -0.000 0.000 0.202 46 K C 1.471 177.949 176.600 -0.204 0.000 1.047 46 K CA 1.621 57.809 56.287 -0.166 0.000 0.942 46 K CB -0.112 32.194 32.500 -0.323 0.000 0.739 46 K HN 0.913 nan 8.250 nan 0.000 0.457 47 I N -5.454 115.014 120.570 -0.170 0.000 3.279 47 I HA 0.495 4.665 4.170 -0.000 0.000 0.315 47 I C -1.055 175.064 176.117 0.003 0.000 1.187 47 I CA -1.096 60.120 61.300 -0.141 0.000 0.953 47 I CB 2.647 40.485 38.000 -0.269 0.000 1.279 47 I HN -0.394 nan 8.210 nan 0.000 0.465 48 S N 0.853 116.598 115.700 0.075 0.000 2.546 48 S HA 0.390 4.860 4.470 -0.000 0.000 0.272 48 S C -0.990 173.587 174.600 -0.040 0.000 1.140 48 S CA -0.906 57.320 58.200 0.044 0.000 0.920 48 S CB 1.920 65.115 63.200 -0.009 0.000 1.083 48 S HN 0.482 nan 8.310 nan 0.000 0.476 49 K N 1.840 122.133 120.400 -0.178 0.000 2.402 49 K HA 0.156 4.476 4.320 -0.000 0.000 0.285 49 K C -0.438 175.994 176.600 -0.279 0.000 1.054 49 K CA -0.123 55.899 56.287 -0.441 0.000 1.001 49 K CB 0.163 32.442 32.500 -0.368 0.000 0.946 49 K HN 0.371 nan 8.250 nan 0.000 0.473 50 I N 3.439 123.830 120.570 -0.298 0.000 2.365 50 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 50 I C 0.863 176.877 176.117 -0.172 0.000 1.004 50 I CA 0.192 61.383 61.300 -0.183 0.000 1.311 50 I CB 1.139 39.057 38.000 -0.137 0.000 1.401 50 I HN 0.694 nan 8.210 nan 0.000 0.491 51 G N 7.071 115.796 108.800 -0.125 0.000 3.197 51 G HA2 0.217 4.177 3.960 -0.000 0.000 0.167 51 G HA3 0.217 4.177 3.960 -0.000 0.000 0.167 51 G C -1.387 173.455 174.900 -0.096 0.000 1.914 51 G CA 0.174 45.209 45.100 -0.109 0.000 0.956 51 G HN 0.555 nan 8.290 nan 0.000 0.480 52 P HA -0.165 nan 4.420 nan 0.000 0.238 52 P C 0.155 177.408 177.300 -0.079 0.000 0.911 52 P CA 1.420 64.478 63.100 -0.071 0.000 1.085 52 P CB 0.109 31.772 31.700 -0.062 0.000 0.698 53 E N -0.895 119.257 120.200 -0.080 0.000 3.074 53 E HA 0.181 4.531 4.350 -0.000 0.000 0.287 53 E C -1.192 175.341 176.600 -0.112 0.000 1.194 53 E CA -0.356 55.990 56.400 -0.090 0.000 0.836 53 E CB -1.152 28.497 29.700 -0.084 0.000 1.468 53 E HN 0.081 nan 8.360 nan 0.000 0.383 54 N N 4.540 123.180 118.700 -0.099 0.000 2.394 54 N HA -0.021 4.719 4.740 -0.000 0.000 0.277 54 N C -1.686 173.704 175.510 -0.199 0.000 1.346 54 N CA -0.612 52.365 53.050 -0.122 0.000 0.910 54 N CB 0.876 39.371 38.487 0.013 0.000 1.201 54 N HN 0.397 nan 8.380 nan 0.000 0.488 55 P HA -0.109 nan 4.420 nan 0.000 0.231 55 P C -0.366 176.776 177.300 -0.263 0.000 1.158 55 P CA 0.915 63.810 63.100 -0.341 0.000 0.763 55 P CB 0.107 31.553 31.700 -0.423 0.000 0.805 56 Y N 0.661 120.986 120.300 0.043 0.000 2.307 56 Y HA 0.501 5.051 4.550 -0.000 0.000 0.324 56 Y C 1.241 177.176 175.900 0.059 0.000 1.238 56 Y CA -0.695 57.446 58.100 0.068 0.000 1.280 56 Y CB 0.427 38.960 38.460 0.122 0.000 1.248 56 Y HN -0.084 nan 8.280 nan 0.000 0.508 57 N N 0.118 118.959 118.700 0.234 0.000 2.827 57 N HA 0.132 4.872 4.740 -0.000 0.000 0.248 57 N C -1.927 173.661 175.510 0.131 0.000 1.074 57 N CA -0.370 52.773 53.050 0.156 0.000 1.042 57 N CB 1.764 40.296 38.487 0.075 0.000 1.684 57 N HN 0.755 nan 8.380 nan 0.000 0.542 58 T N 0.716 115.345 114.554 0.125 0.000 2.824 58 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 58 T C -2.882 171.795 174.700 -0.040 0.000 0.993 58 T CA -1.642 60.486 62.100 0.047 0.000 0.967 58 T CB 1.813 70.687 68.868 0.011 0.000 0.960 58 T HN 0.200 nan 8.240 nan 0.000 0.441 59 P HA 0.193 nan 4.420 nan 0.000 0.268 59 P C -0.718 176.461 177.300 -0.202 0.000 1.189 59 P CA -0.338 62.563 63.100 -0.331 0.000 0.771 59 P CB 0.462 31.985 31.700 -0.295 0.000 0.822 60 V N 3.845 123.617 119.914 -0.236 0.000 2.971 60 V HA 0.830 4.950 4.120 -0.000 0.000 0.309 60 V C -1.328 174.869 176.094 0.171 0.000 1.130 60 V CA -0.499 61.786 62.300 -0.025 0.000 0.964 60 V CB 1.300 33.168 31.823 0.074 0.000 1.029 60 V HN 0.547 nan 8.190 nan 0.000 0.427 61 F N 3.557 123.543 119.950 0.060 0.000 2.741 61 F HA 0.978 5.505 4.527 -0.000 0.000 0.313 61 F C -0.703 175.181 175.800 0.139 0.000 1.153 61 F CA -0.655 57.447 58.000 0.171 0.000 0.931 61 F CB 1.123 40.375 39.000 0.420 0.000 1.335 61 F HN 0.754 nan 8.300 nan 0.000 0.460 62 A N 1.981 124.956 122.820 0.259 0.000 2.350 62 A HA 0.836 5.156 4.320 -0.000 0.000 0.324 62 A C -1.585 176.240 177.584 0.402 0.000 1.118 62 A CA -0.849 51.294 52.037 0.177 0.000 0.783 62 A CB 1.366 20.394 19.000 0.047 0.000 1.236 62 A HN 1.071 nan 8.150 nan 0.000 0.457 63 I N 1.349 122.142 120.570 0.371 0.000 2.545 63 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 63 I C -0.434 175.844 176.117 0.268 0.000 1.040 63 I CA -0.588 60.921 61.300 0.349 0.000 1.068 63 I CB 1.693 39.825 38.000 0.219 0.000 1.251 63 I HN 0.795 nan 8.210 nan 0.000 0.424 72 R N 1.951 122.646 120.500 0.326 0.000 2.808 72 R HA 0.704 5.044 4.340 -0.000 0.000 0.272 72 R C -1.230 175.130 176.300 0.099 0.000 0.995 72 R CA -1.293 54.901 56.100 0.157 0.000 0.917 72 R CB 2.484 32.831 30.300 0.078 0.000 1.217 72 R HN 0.113 nan 8.270 nan 0.000 0.471 73 K N 2.917 123.331 120.400 0.024 0.000 2.235 73 K HA 0.349 4.669 4.320 -0.000 0.000 0.266 73 K C -1.320 175.174 176.600 -0.176 0.000 0.980 73 K CA -0.544 55.701 56.287 -0.071 0.000 0.849 73 K CB 1.088 33.566 32.500 -0.037 0.000 1.098 73 K HN 0.666 nan 8.250 nan 0.000 0.445 74 L N 4.688 125.640 121.223 -0.452 0.000 2.319 74 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 74 L C -0.416 176.043 176.870 -0.684 0.000 1.005 74 L CA -1.155 53.331 54.840 -0.590 0.000 0.828 74 L CB 1.890 43.463 42.059 -0.809 0.000 1.227 74 L HN 0.250 nan 8.230 nan 0.000 0.415 75 V N 2.062 121.751 119.914 -0.376 0.000 2.498 75 V HA 0.099 4.218 4.120 -0.000 0.000 0.279 75 V C 0.251 176.188 176.094 -0.262 0.000 1.048 75 V CA -0.519 61.525 62.300 -0.426 0.000 0.967 75 V CB 1.569 32.919 31.823 -0.788 0.000 0.988 75 V HN 0.699 nan 8.190 nan 0.000 0.473 76 D N 3.512 123.902 120.400 -0.017 0.000 2.325 76 D HA 0.148 4.788 4.640 -0.000 0.000 0.251 76 D C -0.023 176.260 176.300 -0.028 0.000 1.196 76 D CA 0.085 54.181 54.000 0.160 0.000 0.866 76 D CB 0.745 41.781 40.800 0.393 0.000 1.101 76 D HN 0.524 nan 8.370 nan 0.000 0.476 77 F N 2.702 122.766 119.950 0.190 0.000 2.706 77 F HA 0.172 4.699 4.527 -0.000 0.000 0.313 77 F C 2.255 178.161 175.800 0.177 0.000 1.096 77 F CA -0.666 57.441 58.000 0.178 0.000 1.219 77 F CB 0.468 39.584 39.000 0.193 0.000 1.051 77 F HN 0.238 nan 8.300 nan 0.000 0.568 78 R N 0.768 121.458 120.500 0.317 0.000 2.179 78 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 78 R C 1.859 178.286 176.300 0.213 0.000 1.119 78 R CA 2.058 58.292 56.100 0.224 0.000 0.915 78 R CB -0.799 29.603 30.300 0.170 0.000 0.870 78 R HN 0.221 nan 8.270 nan 0.000 0.432 79 E N 0.804 121.124 120.200 0.200 0.000 2.048 79 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 79 E C 2.061 178.769 176.600 0.180 0.000 1.021 79 E CA 1.361 57.860 56.400 0.166 0.000 0.825 79 E CB -0.527 29.264 29.700 0.152 0.000 0.756 79 E HN 0.175 nan 8.360 nan 0.000 0.454 80 L N 2.038 123.415 121.223 0.256 0.000 2.042 80 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 80 L C 1.707 178.755 176.870 0.297 0.000 1.076 80 L CA 1.755 56.757 54.840 0.269 0.000 0.749 80 L CB -0.797 41.501 42.059 0.399 0.000 0.893 80 L HN 0.014 nan 8.230 nan 0.000 0.432 81 N N 0.488 119.373 118.700 0.308 0.000 2.007 81 N HA -0.223 4.517 4.740 -0.000 0.000 0.197 81 N C 1.706 177.288 175.510 0.120 0.000 1.050 81 N CA 2.038 55.210 53.050 0.203 0.000 0.856 81 N CB -0.364 38.219 38.487 0.160 0.000 1.050 81 N HN 0.444 nan 8.380 nan 0.000 0.423 82 K N 0.671 121.134 120.400 0.104 0.000 2.127 82 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 82 K C 1.866 178.494 176.600 0.047 0.000 1.047 82 K CA 1.176 57.499 56.287 0.061 0.000 0.927 82 K CB -0.215 32.322 32.500 0.062 0.000 0.716 82 K HN 0.266 nan 8.250 nan 0.000 0.450 83 R N 0.650 121.189 120.500 0.065 0.000 2.299 83 R HA 0.047 4.387 4.340 -0.000 0.000 0.197 83 R C 0.487 176.817 176.300 0.052 0.000 0.971 83 R CA 0.310 56.429 56.100 0.031 0.000 1.030 83 R CB 0.138 30.434 30.300 -0.006 0.000 0.932 83 R HN 0.081 nan 8.270 nan 0.000 0.477 84 T N 1.590 116.211 114.554 0.112 0.000 2.913 84 T HA 0.068 4.418 4.350 -0.000 0.000 0.287 84 T C 0.403 175.071 174.700 -0.054 0.000 1.008 84 T CA -0.631 61.561 62.100 0.154 0.000 1.067 84 T CB 1.475 70.523 68.868 0.300 0.000 0.996 84 T HN 0.219 nan 8.240 nan 0.000 0.513 85 Q N 1.605 121.298 119.800 -0.178 0.000 2.870 85 Q HA 0.162 4.502 4.340 -0.000 0.000 0.193 85 Q C -0.840 174.829 176.000 -0.552 0.000 1.148 85 Q CA -0.304 55.291 55.803 -0.347 0.000 1.212 85 Q CB 0.389 28.885 28.738 -0.403 0.000 1.290 85 Q HN 0.410 nan 8.270 nan 0.000 0.686 86 D N -0.559 119.532 120.400 -0.516 0.000 2.217 86 D HA 0.433 5.073 4.640 -0.000 0.000 0.248 86 D C -1.114 174.813 176.300 -0.621 0.000 1.008 86 D CA -0.204 53.527 54.000 -0.448 0.000 0.914 86 D CB 0.881 41.566 40.800 -0.193 0.000 1.182 86 D HN 0.327 nan 8.370 nan 0.000 0.451 87 F N -0.021 119.883 119.950 -0.076 0.000 2.579 87 F HA 0.273 4.800 4.527 -0.000 0.000 0.324 87 F C 0.313 176.142 175.800 0.048 0.000 1.058 87 F CA -1.275 56.704 58.000 -0.034 0.000 0.944 87 F CB 1.046 39.977 39.000 -0.116 0.000 1.245 87 F HN 0.261 nan 8.300 nan 0.000 0.477 88 W N 3.694 125.079 121.300 0.141 0.000 2.347 88 W HA 0.010 4.670 4.660 -0.000 0.000 0.333 88 W C -0.047 176.505 176.519 0.053 0.000 1.383 88 W CA -0.231 57.153 57.345 0.064 0.000 1.283 88 W CB 0.589 30.075 29.460 0.045 0.000 1.253 88 W HN 0.470 nan 8.180 nan 0.000 0.563 89 E N 3.535 123.289 120.200 -0.743 0.000 2.502 89 E HA -0.057 4.293 4.350 -0.000 0.000 0.261 89 E C 0.701 176.832 176.600 -0.781 0.000 0.974 89 E CA 0.268 56.248 56.400 -0.699 0.000 0.936 89 E CB 1.415 30.721 29.700 -0.657 0.000 0.926 89 E HN 0.453 nan 8.360 nan 0.000 0.459 90 V N 2.961 122.656 119.914 -0.364 0.000 3.647 90 V HA -0.041 4.079 4.120 -0.000 0.000 0.279 90 V C 0.445 176.461 176.094 -0.130 0.000 1.314 90 V CA 0.486 62.663 62.300 -0.206 0.000 1.125 90 V CB -0.305 31.461 31.823 -0.096 0.000 0.907 90 V HN 0.462 nan 8.190 nan 0.000 0.434 91 Q N 0.299 119.996 119.800 -0.171 0.000 2.644 91 Q HA 0.507 4.847 4.340 -0.000 0.000 0.245 91 Q C 0.246 176.189 176.000 -0.096 0.000 1.064 91 Q CA -0.059 55.696 55.803 -0.080 0.000 0.860 91 Q CB 1.133 29.834 28.738 -0.062 0.000 1.145 91 Q HN 0.412 nan 8.270 nan 0.000 0.515 92 L N -0.486 120.704 121.223 -0.056 0.000 2.609 92 L HA 0.534 4.874 4.340 -0.000 0.000 0.230 92 L C 0.870 177.756 176.870 0.026 0.000 1.064 92 L CA -0.054 54.764 54.840 -0.036 0.000 0.873 92 L CB 0.748 42.798 42.059 -0.015 0.000 1.139 92 L HN 0.567 nan 8.230 nan 0.000 0.490 93 G N 1.032 109.869 108.800 0.062 0.000 2.358 93 G HA2 0.401 4.361 3.960 -0.000 0.000 0.301 93 G HA3 0.401 4.361 3.960 -0.000 0.000 0.301 93 G C -1.814 173.167 174.900 0.135 0.000 1.539 93 G CA -0.654 44.495 45.100 0.081 0.000 0.893 93 G HN 0.061 nan 8.290 nan 0.000 0.636 94 I N -0.741 119.912 120.570 0.140 0.000 2.498 94 I HA 0.707 4.877 4.170 -0.000 0.000 0.290 94 I C -2.084 174.128 176.117 0.159 0.000 1.032 94 I CA -2.465 58.969 61.300 0.223 0.000 1.073 94 I CB 2.191 40.332 38.000 0.235 0.000 1.251 94 I HN 0.351 nan 8.210 nan 0.000 0.426 95 P HA -0.007 nan 4.420 nan 0.000 0.265 95 P C -0.948 176.311 177.300 -0.068 0.000 1.187 95 P CA 0.451 63.506 63.100 -0.076 0.000 0.766 95 P CB 0.356 31.873 31.700 -0.305 0.000 0.820 96 H N 3.342 122.251 119.070 -0.270 0.000 2.548 96 H HA 0.178 4.734 4.556 -0.000 0.000 0.331 96 H C -1.413 173.570 175.328 -0.576 0.000 1.093 96 H CA -1.510 54.284 56.048 -0.424 0.000 1.367 96 H CB 1.001 30.505 29.762 -0.431 0.000 1.455 96 H HN 0.227 nan 8.280 nan 0.000 0.519 97 P HA -0.184 nan 4.420 nan 0.000 0.217 97 P C 0.782 177.786 177.300 -0.492 0.000 1.148 97 P CA 1.833 64.432 63.100 -0.835 0.000 0.828 97 P CB 0.082 30.954 31.700 -1.380 0.000 0.783 98 A N -0.468 122.116 122.820 -0.395 0.000 2.172 98 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 98 A C 2.214 179.948 177.584 0.249 0.000 1.154 98 A CA 1.554 53.669 52.037 0.129 0.000 0.701 98 A CB -1.494 17.719 19.000 0.354 0.000 0.789 98 A HN 0.308 nan 8.150 nan 0.000 0.465 99 G N -0.908 107.826 108.800 -0.109 0.000 2.880 99 G HA2 0.342 4.302 3.960 -0.000 0.000 0.209 99 G HA3 0.342 4.302 3.960 -0.000 0.000 0.209 99 G C 0.455 175.359 174.900 0.007 0.000 1.157 99 G CA -0.274 44.697 45.100 -0.215 0.000 0.779 99 G HN 0.394 nan 8.290 nan 0.000 0.539 100 L N 0.902 122.133 121.223 0.013 0.000 2.349 100 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 100 L C 0.117 176.976 176.870 -0.019 0.000 1.115 100 L CA -0.911 53.859 54.840 -0.116 0.000 0.820 100 L CB 1.181 43.002 42.059 -0.398 0.000 1.135 100 L HN -0.124 nan 8.230 nan 0.000 0.445 101 K N 2.184 122.567 120.400 -0.028 0.000 2.219 101 K HA 0.179 4.499 4.320 -0.000 0.000 0.258 101 K C -0.225 176.282 176.600 -0.156 0.000 1.008 101 K CA -0.301 55.990 56.287 0.005 0.000 0.928 101 K CB 0.441 32.953 32.500 0.021 0.000 0.983 101 K HN 0.311 nan 8.250 nan 0.000 0.484 102 K N 1.879 122.263 120.400 -0.026 0.000 2.249 102 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 102 K C -0.623 175.960 176.600 -0.028 0.000 1.033 102 K CA -0.241 56.044 56.287 -0.003 0.000 0.946 102 K CB 0.490 33.081 32.500 0.151 0.000 1.005 102 K HN 0.198 nan 8.250 nan 0.000 0.469 103 K N 3.109 123.486 120.400 -0.038 0.000 2.318 103 K HA 0.144 4.464 4.320 -0.000 0.000 0.249 103 K C 0.149 176.753 176.600 0.007 0.000 0.942 103 K CA -0.739 55.535 56.287 -0.022 0.000 0.808 103 K CB 1.751 34.222 32.500 -0.048 0.000 1.189 103 K HN 0.430 nan 8.250 nan 0.000 0.428 104 K N 0.253 120.649 120.400 -0.006 0.000 2.137 104 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 104 K C -0.062 176.505 176.600 -0.055 0.000 1.052 104 K CA 1.114 57.395 56.287 -0.009 0.000 0.961 104 K CB 0.376 32.874 32.500 -0.003 0.000 0.741 104 K HN 0.372 nan 8.250 nan 0.000 0.452 105 S N -0.140 115.469 115.700 -0.151 0.000 2.571 105 S HA 0.575 5.045 4.470 -0.000 0.000 0.284 105 S C -1.563 172.820 174.600 -0.361 0.000 1.128 105 S CA -0.902 57.088 58.200 -0.349 0.000 0.970 105 S CB 2.161 64.925 63.200 -0.728 0.000 1.039 105 S HN -0.047 nan 8.310 nan 0.000 0.485 106 V N 2.166 121.999 119.914 -0.135 0.000 2.680 106 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 106 V C 0.020 176.199 176.094 0.141 0.000 1.052 106 V CA -0.486 61.837 62.300 0.039 0.000 0.908 106 V CB 2.170 34.099 31.823 0.176 0.000 1.001 106 V HN 0.825 nan 8.190 nan 0.000 0.431 107 T N 2.219 116.843 114.554 0.116 0.000 2.900 107 T HA 0.590 4.940 4.350 -0.000 0.000 0.303 107 T C -1.711 172.906 174.700 -0.137 0.000 1.142 107 T CA -0.358 61.785 62.100 0.071 0.000 1.007 107 T CB 1.834 70.770 68.868 0.114 0.000 1.156 107 T HN 0.790 nan 8.240 nan 0.000 0.490 108 V N 6.357 126.149 119.914 -0.203 0.000 2.380 108 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 108 V C -1.316 174.619 176.094 -0.264 0.000 1.015 108 V CA -0.643 61.433 62.300 -0.374 0.000 0.834 108 V CB 0.540 31.996 31.823 -0.612 0.000 1.009 108 V HN 0.778 nan 8.190 nan 0.000 0.428 109 L N 7.238 128.299 121.223 -0.270 0.000 2.276 109 L HA 0.609 4.949 4.340 -0.000 0.000 0.286 109 L C -0.084 176.707 176.870 -0.132 0.000 1.061 109 L CA -0.477 54.256 54.840 -0.177 0.000 0.807 109 L CB 1.292 43.238 42.059 -0.188 0.000 1.177 109 L HN 0.692 nan 8.230 nan 0.000 0.429 110 D N 2.854 123.217 120.400 -0.062 0.000 2.217 110 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 110 D C -0.400 175.895 176.300 -0.008 0.000 1.054 110 D CA -0.532 53.440 54.000 -0.046 0.000 0.838 110 D CB 2.373 43.152 40.800 -0.036 0.000 1.162 110 D HN 0.088 nan 8.370 nan 0.000 0.472 111 V N 1.483 121.401 119.914 0.006 0.000 2.488 111 V HA 0.467 4.587 4.120 -0.000 0.000 0.277 111 V C 1.123 177.222 176.094 0.008 0.000 1.046 111 V CA -0.500 61.825 62.300 0.042 0.000 0.986 111 V CB 1.141 33.042 31.823 0.129 0.000 0.989 111 V HN 0.731 nan 8.190 nan 0.000 0.475 112 G N 2.433 111.244 108.800 0.018 0.000 2.332 112 G HA2 0.497 4.457 3.960 -0.000 0.000 0.310 112 G HA3 0.497 4.457 3.960 -0.000 0.000 0.310 112 G C -0.214 174.690 174.900 0.007 0.000 1.123 112 G CA -0.271 44.824 45.100 -0.007 0.000 0.873 112 G HN 0.848 nan 8.290 nan 0.000 0.460 113 D N 0.574 120.942 120.400 -0.052 0.000 2.718 113 D HA -0.215 4.425 4.640 -0.000 0.000 0.242 113 D C 1.472 177.809 176.300 0.061 0.000 1.123 113 D CA 0.894 54.877 54.000 -0.027 0.000 0.690 113 D CB -1.151 39.699 40.800 0.082 0.000 1.059 113 D HN 0.640 nan 8.370 nan 0.000 0.429 114 A N -0.089 122.715 122.820 -0.026 0.000 1.824 114 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 114 A C 1.934 179.677 177.584 0.266 0.000 1.209 114 A CA 1.647 53.747 52.037 0.104 0.000 0.614 114 A CB -0.975 17.820 19.000 -0.340 0.000 0.852 114 A HN 0.515 nan 8.150 nan 0.000 0.447 115 Y N -1.828 118.383 120.300 -0.148 0.000 2.096 115 Y HA -0.310 4.240 4.550 -0.000 0.000 0.278 115 Y C 2.306 178.407 175.900 0.335 0.000 1.192 115 Y CA 1.088 59.220 58.100 0.054 0.000 1.143 115 Y CB -0.387 38.061 38.460 -0.019 0.000 0.963 115 Y HN 0.340 nan 8.280 nan 0.000 0.505 116 F N -0.709 119.371 119.950 0.216 0.000 2.604 116 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 116 F C 2.097 177.990 175.800 0.155 0.000 1.131 116 F CA 0.601 58.706 58.000 0.176 0.000 1.457 116 F CB -0.593 38.488 39.000 0.135 0.000 1.095 116 F HN -0.144 nan 8.300 nan 0.000 0.574 117 S N -0.891 115.021 115.700 0.352 0.000 2.556 117 S HA 0.181 4.651 4.470 -0.000 0.000 0.216 117 S C 0.394 175.132 174.600 0.230 0.000 0.970 117 S CA 0.009 58.362 58.200 0.254 0.000 0.912 117 S CB 0.231 63.569 63.200 0.231 0.000 0.790 117 S HN -0.120 nan 8.310 nan 0.000 0.504 118 V N 3.459 123.524 119.914 0.253 0.000 2.448 118 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 118 V C -2.801 173.381 176.094 0.146 0.000 1.025 118 V CA -2.570 59.848 62.300 0.197 0.000 0.859 118 V CB 1.476 33.440 31.823 0.234 0.000 0.988 118 V HN -0.035 nan 8.190 nan 0.000 0.431 119 P HA 0.187 nan 4.420 nan 0.000 0.271 119 P C -0.494 176.845 177.300 0.065 0.000 1.220 119 P CA -0.203 62.947 63.100 0.083 0.000 0.768 119 P CB 0.676 32.423 31.700 0.077 0.000 0.848 120 L N 3.190 124.443 121.223 0.050 0.000 2.439 120 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 120 L C 0.252 177.146 176.870 0.041 0.000 1.153 120 L CA -0.238 54.613 54.840 0.018 0.000 0.808 120 L CB 0.182 42.227 42.059 -0.024 0.000 1.126 120 L HN 0.239 nan 8.230 nan 0.000 0.460 121 D N 2.184 122.612 120.400 0.048 0.000 2.382 121 D HA -0.041 4.599 4.640 -0.000 0.000 0.259 121 D C 0.909 177.267 176.300 0.096 0.000 1.224 121 D CA 0.247 54.294 54.000 0.078 0.000 0.894 121 D CB 0.825 41.679 40.800 0.090 0.000 1.127 121 D HN 0.607 nan 8.370 nan 0.000 0.487 122 E N 2.947 123.185 120.200 0.063 0.000 2.130 122 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 122 E C 0.576 177.188 176.600 0.020 0.000 0.998 122 E CA 1.328 57.750 56.400 0.037 0.000 0.806 122 E CB 0.151 29.866 29.700 0.025 0.000 0.738 122 E HN 0.628 nan 8.360 nan 0.000 0.459 123 D N -1.322 119.106 120.400 0.045 0.000 2.371 123 D HA -0.095 4.545 4.640 -0.000 0.000 0.221 123 D C 1.234 177.517 176.300 -0.029 0.000 0.986 123 D CA 0.389 54.397 54.000 0.012 0.000 0.899 123 D CB -0.142 40.694 40.800 0.061 0.000 0.902 123 D HN 0.165 nan 8.370 nan 0.000 0.530 124 F N 0.460 120.335 119.950 -0.124 0.000 2.712 124 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 124 F C 1.763 177.449 175.800 -0.190 0.000 1.114 124 F CA -0.228 57.694 58.000 -0.130 0.000 1.305 124 F CB 0.367 39.388 39.000 0.035 0.000 1.086 124 F HN -0.292 nan 8.300 nan 0.000 0.599 125 R N 1.295 121.777 120.500 -0.029 0.000 2.113 125 R HA -0.224 4.116 4.340 -0.000 0.000 0.244 125 R C 2.056 178.286 176.300 -0.118 0.000 1.142 125 R CA 2.132 58.210 56.100 -0.036 0.000 0.953 125 R CB -0.775 29.527 30.300 0.003 0.000 0.860 125 R HN 0.361 nan 8.270 nan 0.000 0.438 126 K N -0.145 120.116 120.400 -0.232 0.000 2.293 126 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 126 K C 1.320 177.811 176.600 -0.181 0.000 1.045 126 K CA 1.640 57.806 56.287 -0.202 0.000 0.933 126 K CB -0.352 32.000 32.500 -0.247 0.000 0.736 126 K HN 0.266 nan 8.250 nan 0.000 0.463 127 Y N 2.289 122.381 120.300 -0.346 0.000 2.544 127 Y HA -0.014 4.536 4.550 -0.000 0.000 0.286 127 Y C 1.745 177.535 175.900 -0.183 0.000 1.141 127 Y CA 0.764 58.556 58.100 -0.513 0.000 1.299 127 Y CB -0.219 37.647 38.460 -0.990 0.000 1.030 127 Y HN 0.206 nan 8.280 nan 0.000 0.543 128 T N -2.014 112.600 114.554 0.101 0.000 3.260 128 T HA 0.636 4.985 4.350 -0.000 0.000 0.254 128 T C 0.466 175.440 174.700 0.457 0.000 0.951 128 T CA -0.247 62.037 62.100 0.306 0.000 0.918 128 T CB -0.593 68.449 68.868 0.290 0.000 1.098 128 T HN 0.157 nan 8.240 nan 0.000 0.563 129 A N 1.985 125.010 122.820 0.341 0.000 2.363 129 A HA 0.702 5.022 4.320 -0.000 0.000 0.270 129 A C -0.238 177.564 177.584 0.365 0.000 1.121 129 A CA -0.790 51.428 52.037 0.303 0.000 0.800 129 A CB -0.051 19.052 19.000 0.172 0.000 1.052 129 A HN 0.719 nan 8.150 nan 0.000 0.493 130 F N -0.119 119.882 119.950 0.085 0.000 2.643 130 F HA 0.830 5.357 4.527 -0.000 0.000 0.314 130 F C -0.187 175.631 175.800 0.030 0.000 1.096 130 F CA -0.766 57.253 58.000 0.032 0.000 0.953 130 F CB 1.428 40.435 39.000 0.013 0.000 1.345 130 F HN 0.535 nan 8.300 nan 0.000 0.468 131 T N -0.066 114.506 114.554 0.029 0.000 2.848 131 T HA 0.719 5.069 4.350 -0.000 0.000 0.285 131 T C -0.765 173.940 174.700 0.008 0.000 0.995 131 T CA -0.558 61.504 62.100 -0.064 0.000 0.970 131 T CB 1.031 69.857 68.868 -0.069 0.000 0.976 131 T HN 0.731 nan 8.240 nan 0.000 0.441 132 I N 4.863 125.438 120.570 0.008 0.000 2.379 132 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 132 I C -2.039 174.073 176.117 -0.008 0.000 1.063 132 I CA -2.233 59.084 61.300 0.027 0.000 1.351 132 I CB 0.665 38.693 38.000 0.046 0.000 1.410 132 I HN 0.430 nan 8.210 nan 0.000 0.505 133 P HA 0.079 nan 4.420 nan 0.000 0.271 133 P C -0.520 176.771 177.300 -0.015 0.000 1.244 133 P CA -0.442 62.647 63.100 -0.018 0.000 0.793 133 P CB 0.492 32.187 31.700 -0.007 0.000 0.984 134 S N -0.258 115.432 115.700 -0.016 0.000 2.646 134 S HA 0.309 4.779 4.470 -0.000 0.000 0.276 134 S C 1.178 175.774 174.600 -0.006 0.000 1.222 134 S CA -0.717 57.474 58.200 -0.015 0.000 1.014 134 S CB 0.010 63.199 63.200 -0.019 0.000 0.991 134 S HN 0.320 nan 8.310 nan 0.000 0.533 135 I N 1.311 121.877 120.570 -0.006 0.000 3.229 135 I HA -0.151 4.019 4.170 -0.000 0.000 0.296 135 I C 1.085 177.205 176.117 0.006 0.000 1.297 135 I CA 1.013 62.313 61.300 -0.000 0.000 1.367 135 I CB -1.487 36.512 38.000 -0.002 0.000 1.068 135 I HN 0.813 nan 8.210 nan 0.000 0.550 136 N N 1.564 120.268 118.700 0.006 0.000 4.474 136 N HA -0.117 4.623 4.740 -0.000 0.000 0.116 136 N C -0.834 174.680 175.510 0.008 0.000 1.143 136 N CA -0.223 52.835 53.050 0.012 0.000 1.918 136 N CB -0.368 38.127 38.487 0.014 0.000 1.572 136 N HN 0.118 nan 8.380 nan 0.000 0.821 137 N N 1.601 120.304 118.700 0.006 0.000 2.702 137 N HA -0.207 4.533 4.740 -0.000 0.000 0.261 137 N C 0.329 175.837 175.510 -0.003 0.000 0.965 137 N CA 1.494 54.544 53.050 0.001 0.000 0.795 137 N CB -0.202 38.291 38.487 0.009 0.000 0.909 137 N HN 0.733 nan 8.380 nan 0.000 0.546 138 E N -1.218 118.978 120.200 -0.007 0.000 2.629 138 E HA 0.132 4.482 4.350 -0.000 0.000 0.197 138 E C 0.242 176.832 176.600 -0.016 0.000 0.955 138 E CA 0.784 57.178 56.400 -0.009 0.000 1.191 138 E CB 0.157 29.852 29.700 -0.007 0.000 1.175 138 E HN 0.280 nan 8.360 nan 0.000 0.501 139 T N 3.082 117.624 114.554 -0.019 0.000 2.867 139 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 139 T C -1.880 172.800 174.700 -0.034 0.000 1.000 139 T CA -1.464 60.620 62.100 -0.027 0.000 1.042 139 T CB 1.807 70.659 68.868 -0.028 0.000 0.973 139 T HN -0.185 nan 8.240 nan 0.000 0.465 140 P HA -0.105 nan 4.420 nan 0.000 0.211 140 P C 0.675 177.940 177.300 -0.058 0.000 1.038 140 P CA 1.959 65.028 63.100 -0.052 0.000 0.988 140 P CB -0.372 31.290 31.700 -0.062 0.000 0.758 141 G N -2.969 105.790 108.800 -0.067 0.000 2.375 141 G HA2 0.095 4.055 3.960 -0.000 0.000 0.663 141 G HA3 0.095 4.055 3.960 -0.000 0.000 0.663 141 G C -1.187 173.647 174.900 -0.110 0.000 1.391 141 G CA -0.840 44.217 45.100 -0.071 0.000 0.949 141 G HN 0.162 nan 8.290 nan 0.000 0.646 142 I N 1.584 122.089 120.570 -0.108 0.000 2.436 142 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 142 I C 1.172 177.099 176.117 -0.316 0.000 1.083 142 I CA -0.121 61.059 61.300 -0.200 0.000 1.372 142 I CB 0.498 38.449 38.000 -0.082 0.000 1.408 142 I HN 0.382 nan 8.210 nan 0.000 0.516 143 R N 6.063 126.284 120.500 -0.464 0.000 2.410 143 R HA 0.516 4.856 4.340 -0.000 0.000 0.288 143 R C -1.378 174.449 176.300 -0.787 0.000 1.051 143 R CA -0.536 55.283 56.100 -0.468 0.000 1.021 143 R CB 1.314 31.426 30.300 -0.314 0.000 1.032 143 R HN 0.401 nan 8.270 nan 0.000 0.481 144 Y N 0.594 120.539 120.300 -0.592 0.000 2.441 144 Y HA 0.136 4.686 4.550 -0.000 0.000 0.334 144 Y C 0.001 175.657 175.900 -0.406 0.000 1.061 144 Y CA -0.855 56.854 58.100 -0.652 0.000 1.032 144 Y CB 2.100 39.896 38.460 -1.106 0.000 1.266 144 Y HN 0.501 nan 8.280 nan 0.000 0.441 145 Q N 1.312 121.127 119.800 0.026 0.000 2.297 145 Q HA 0.573 4.913 4.340 -0.000 0.000 0.269 145 Q C -1.719 174.380 176.000 0.165 0.000 1.051 145 Q CA -1.044 54.864 55.803 0.175 0.000 0.869 145 Q CB 2.103 30.895 28.738 0.091 0.000 1.346 145 Q HN 0.655 nan 8.270 nan 0.000 0.457 146 Y N 0.891 121.300 120.300 0.182 0.000 2.299 146 Y HA 0.187 4.737 4.550 -0.000 0.000 0.326 146 Y C 0.573 176.482 175.900 0.015 0.000 1.164 146 Y CA 0.201 58.351 58.100 0.084 0.000 1.234 146 Y CB 1.373 39.860 38.460 0.044 0.000 1.219 146 Y HN 0.787 nan 8.280 nan 0.000 0.497 147 N N 0.430 119.197 118.700 0.112 0.000 2.220 147 N HA 0.157 4.897 4.740 -0.000 0.000 0.195 147 N C -1.099 174.457 175.510 0.077 0.000 1.123 147 N CA 0.033 53.123 53.050 0.066 0.000 0.874 147 N CB 0.888 39.388 38.487 0.022 0.000 0.995 147 N HN 0.316 nan 8.380 nan 0.000 0.498 148 V N -2.290 117.696 119.914 0.119 0.000 3.159 148 V HA 0.446 4.566 4.120 -0.000 0.000 0.308 148 V C -0.303 175.851 176.094 0.100 0.000 1.190 148 V CA -1.343 61.022 62.300 0.108 0.000 1.037 148 V CB 1.519 33.406 31.823 0.108 0.000 1.060 148 V HN -0.099 nan 8.190 nan 0.000 0.437 149 L N 2.639 123.919 121.223 0.095 0.000 2.660 149 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 149 L C -2.125 174.788 176.870 0.072 0.000 1.194 149 L CA -0.684 54.177 54.840 0.035 0.000 0.945 149 L CB -0.217 41.844 42.059 0.003 0.000 1.212 149 L HN 0.502 nan 8.230 nan 0.000 0.490 150 P HA 0.087 nan 4.420 nan 0.000 0.274 150 P C 0.089 177.453 177.300 0.107 0.000 1.231 150 P CA -0.504 62.407 63.100 -0.315 0.000 0.790 150 P CB 0.873 32.082 31.700 -0.819 0.000 0.951 151 Q N 1.900 121.875 119.800 0.291 0.000 2.050 151 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 151 Q C 1.892 178.061 176.000 0.282 0.000 0.980 151 Q CA 2.435 58.431 55.803 0.321 0.000 0.840 151 Q CB -1.183 27.665 28.738 0.183 0.000 0.898 151 Q HN 0.673 nan 8.270 nan 0.000 0.424 152 G N -1.644 107.353 108.800 0.328 0.000 3.141 152 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.218 152 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.218 152 G C -0.426 174.598 174.900 0.207 0.000 1.170 152 G CA -0.521 44.782 45.100 0.338 0.000 0.769 152 G HN 0.242 nan 8.290 nan 0.000 0.546 153 W N 1.978 123.103 121.300 -0.293 0.000 2.161 153 W HA 0.390 5.050 4.660 -0.000 0.000 0.344 153 W C 1.674 178.060 176.519 -0.221 0.000 1.262 153 W CA -1.065 56.000 57.345 -0.467 0.000 1.270 153 W CB 1.160 30.216 29.460 -0.674 0.000 1.126 153 W HN 0.084 nan 8.180 nan 0.000 0.598 154 K N 1.512 121.411 120.400 -0.836 0.000 2.314 154 K HA 0.191 4.511 4.320 -0.000 0.000 0.198 154 K C 1.441 177.544 176.600 -0.828 0.000 1.045 154 K CA 1.101 57.022 56.287 -0.611 0.000 0.988 154 K CB -0.155 32.127 32.500 -0.364 0.000 0.783 154 K HN 0.543 nan 8.250 nan 0.000 0.484 155 G N 0.390 108.169 108.800 -1.701 0.000 2.880 155 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.209 155 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.209 155 G C 1.033 175.285 174.900 -1.080 0.000 1.157 155 G CA -0.088 43.832 45.100 -1.967 0.000 0.779 155 G HN 0.245 nan 8.290 nan 0.000 0.539 156 S N 1.739 117.040 115.700 -0.664 0.000 2.348 156 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 156 S C 0.012 174.255 174.600 -0.596 0.000 1.033 156 S CA 1.287 59.160 58.200 -0.545 0.000 1.010 156 S CB -0.692 62.066 63.200 -0.735 0.000 0.891 156 S HN 0.266 nan 8.310 nan 0.000 0.442 157 P HA -0.035 nan 4.420 nan 0.000 0.216 157 P C 1.287 178.515 177.300 -0.121 0.000 1.150 157 P CA 1.432 64.430 63.100 -0.170 0.000 0.837 157 P CB -0.074 31.561 31.700 -0.108 0.000 0.786 158 A N -0.681 121.972 122.820 -0.280 0.000 1.843 158 A HA -0.099 4.221 4.320 -0.000 0.000 0.213 158 A C 2.165 179.637 177.584 -0.187 0.000 1.202 158 A CA 1.179 53.075 52.037 -0.235 0.000 0.607 158 A CB -1.545 17.227 19.000 -0.381 0.000 0.847 158 A HN 0.057 nan 8.150 nan 0.000 0.445 159 I N -1.298 119.092 120.570 -0.301 0.000 2.248 159 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 159 I C 2.320 178.397 176.117 -0.068 0.000 1.107 159 I CA 1.641 62.838 61.300 -0.172 0.000 1.373 159 I CB -0.326 37.577 38.000 -0.163 0.000 1.055 159 I HN 0.473 nan 8.210 nan 0.000 0.418 160 F N 1.576 121.419 119.950 -0.179 0.000 2.075 160 F HA -0.271 4.256 4.527 -0.000 0.000 0.297 160 F C 2.574 178.335 175.800 -0.066 0.000 1.113 160 F CA 1.736 59.678 58.000 -0.096 0.000 1.218 160 F CB -0.292 38.672 39.000 -0.061 0.000 0.984 160 F HN -0.051 nan 8.300 nan 0.000 0.472 161 Q N -0.028 119.766 119.800 -0.011 0.000 2.124 161 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 161 Q C 2.595 178.501 176.000 -0.156 0.000 0.977 161 Q CA 1.793 57.538 55.803 -0.097 0.000 0.850 161 Q CB -0.708 28.045 28.738 0.026 0.000 0.901 161 Q HN 0.445 nan 8.270 nan 0.000 0.429 162 S N -1.041 114.591 115.700 -0.113 0.000 2.368 162 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 162 S C 1.938 176.436 174.600 -0.170 0.000 1.029 162 S CA 1.305 59.445 58.200 -0.101 0.000 0.988 162 S CB -0.177 62.989 63.200 -0.056 0.000 0.838 162 S HN 0.388 nan 8.310 nan 0.000 0.462 163 S N 1.572 117.140 115.700 -0.220 0.000 2.343 163 S HA -0.125 4.344 4.470 -0.000 0.000 0.219 163 S C 1.865 176.256 174.600 -0.348 0.000 1.033 163 S CA 1.763 59.807 58.200 -0.260 0.000 1.014 163 S CB -0.558 62.502 63.200 -0.233 0.000 0.915 163 S HN 0.606 nan 8.310 nan 0.000 0.435 164 M N 1.780 121.090 119.600 -0.484 0.000 2.195 164 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 164 M C 1.869 177.992 176.300 -0.296 0.000 1.066 164 M CA 1.519 56.547 55.300 -0.454 0.000 1.089 164 M CB -0.964 31.271 32.600 -0.608 0.000 1.377 164 M HN 0.194 nan 8.290 nan 0.000 0.411 165 T N 0.435 114.843 114.554 -0.244 0.000 2.809 165 T HA -0.070 4.280 4.350 -0.000 0.000 0.260 165 T C 1.690 176.286 174.700 -0.173 0.000 1.039 165 T CA 1.494 63.494 62.100 -0.167 0.000 1.141 165 T CB -0.079 68.721 68.868 -0.113 0.000 0.869 165 T HN 0.439 nan 8.240 nan 0.000 0.437 166 K N 1.229 121.507 120.400 -0.202 0.000 2.063 166 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 166 K C 2.338 178.741 176.600 -0.328 0.000 1.048 166 K CA 1.458 57.613 56.287 -0.220 0.000 0.928 166 K CB -0.474 31.896 32.500 -0.217 0.000 0.713 166 K HN 0.452 nan 8.250 nan 0.000 0.442 167 I N -0.371 119.913 120.570 -0.477 0.000 2.676 167 I HA -0.137 4.033 4.170 -0.000 0.000 0.259 167 I C 1.618 177.570 176.117 -0.275 0.000 1.194 167 I CA 0.983 61.842 61.300 -0.736 0.000 1.473 167 I CB 0.137 37.567 38.000 -0.950 0.000 1.096 167 I HN 0.011 nan 8.210 nan 0.000 0.443 168 L N 1.308 122.434 121.223 -0.162 0.000 2.529 168 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 168 L C 2.143 179.002 176.870 -0.017 0.000 1.113 168 L CA 1.155 55.965 54.840 -0.050 0.000 0.861 168 L CB -0.402 41.602 42.059 -0.093 0.000 1.012 168 L HN 0.349 nan 8.230 nan 0.000 0.461 169 E N 0.398 120.572 120.200 -0.044 0.000 2.051 169 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 169 E C -0.695 175.915 176.600 0.015 0.000 0.991 169 E CA 1.571 57.960 56.400 -0.019 0.000 0.799 169 E CB -1.060 28.614 29.700 -0.042 0.000 0.748 169 E HN 0.288 nan 8.360 nan 0.000 0.449 170 P HA -0.083 nan 4.420 nan 0.000 0.216 170 P C 1.204 178.512 177.300 0.013 0.000 1.153 170 P CA 1.143 64.289 63.100 0.077 0.000 0.848 170 P CB -0.237 31.596 31.700 0.221 0.000 0.787 171 F N 0.997 120.803 119.950 -0.240 0.000 2.146 171 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 171 F C 2.029 177.729 175.800 -0.165 0.000 1.096 171 F CA 1.500 59.308 58.000 -0.320 0.000 1.275 171 F CB -0.267 38.361 39.000 -0.620 0.000 1.008 171 F HN -0.279 nan 8.300 nan 0.000 0.480 172 K N 0.488 120.979 120.400 0.151 0.000 2.044 172 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 172 K C 2.192 178.757 176.600 -0.059 0.000 1.049 172 K CA 1.961 58.292 56.287 0.073 0.000 0.927 172 K CB -0.297 32.243 32.500 0.067 0.000 0.713 172 K HN 0.250 nan 8.250 nan 0.000 0.443 173 K N 0.689 121.054 120.400 -0.058 0.000 2.211 173 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 173 K C 1.855 178.390 176.600 -0.108 0.000 1.050 173 K CA 1.120 57.370 56.287 -0.063 0.000 0.945 173 K CB 0.200 32.681 32.500 -0.033 0.000 0.732 173 K HN 0.025 nan 8.250 nan 0.000 0.451 174 Q N 0.401 120.087 119.800 -0.191 0.000 2.280 174 Q HA 0.054 4.394 4.340 -0.000 0.000 0.201 174 Q C -0.708 175.099 176.000 -0.322 0.000 0.890 174 Q CA 0.277 55.943 55.803 -0.228 0.000 0.947 174 Q CB 0.602 29.200 28.738 -0.234 0.000 1.081 174 Q HN 0.282 nan 8.270 nan 0.000 0.502 175 N N 0.100 118.602 118.700 -0.331 0.000 2.679 175 N HA 0.147 4.887 4.740 -0.000 0.000 0.240 175 N C -2.471 172.960 175.510 -0.132 0.000 1.537 175 N CA -0.702 52.172 53.050 -0.293 0.000 0.793 175 N CB 1.545 39.700 38.487 -0.554 0.000 1.391 175 N HN 0.021 nan 8.380 nan 0.000 0.524 176 P HA -0.077 nan 4.420 nan 0.000 0.219 176 P C 0.977 178.270 177.300 -0.011 0.000 1.150 176 P CA 1.108 64.187 63.100 -0.035 0.000 0.814 176 P CB 0.215 31.896 31.700 -0.032 0.000 0.787 177 D N -0.737 119.654 120.400 -0.015 0.000 2.351 177 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 177 D C 0.771 177.086 176.300 0.025 0.000 0.968 177 D CA 0.545 54.548 54.000 0.004 0.000 0.899 177 D CB -0.736 40.065 40.800 0.001 0.000 0.907 177 D HN 0.216 nan 8.370 nan 0.000 0.514 178 I N 0.337 120.929 120.570 0.037 0.000 2.577 178 I HA 0.186 4.356 4.170 -0.000 0.000 0.300 178 I C -0.244 175.920 176.117 0.079 0.000 0.990 178 I CA -0.931 60.419 61.300 0.083 0.000 1.283 178 I CB 2.272 40.361 38.000 0.149 0.000 1.411 178 I HN -0.266 nan 8.210 nan 0.000 0.515 179 V N 7.004 126.964 119.914 0.077 0.000 2.495 179 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 179 V C -0.287 175.845 176.094 0.063 0.000 1.031 179 V CA -0.402 61.931 62.300 0.054 0.000 0.871 179 V CB 1.849 33.683 31.823 0.017 0.000 0.988 179 V HN 0.416 nan 8.190 nan 0.000 0.432 180 I N 5.410 126.019 120.570 0.064 0.000 2.534 180 I HA 0.422 4.591 4.170 -0.000 0.000 0.288 180 I C -1.578 174.600 176.117 0.103 0.000 1.077 180 I CA -0.739 60.597 61.300 0.059 0.000 1.051 180 I CB 2.088 40.096 38.000 0.014 0.000 1.234 180 I HN 0.618 nan 8.210 nan 0.000 0.425 181 Y N 6.311 126.603 120.300 -0.012 0.000 2.350 181 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 181 Y C -0.774 175.174 175.900 0.081 0.000 0.961 181 Y CA -0.653 57.441 58.100 -0.011 0.000 1.100 181 Y CB 1.527 39.908 38.460 -0.132 0.000 1.179 181 Y HN 0.535 nan 8.280 nan 0.000 0.454 182 Q N 5.623 125.083 119.800 -0.568 0.000 2.303 182 Q HA 0.308 4.648 4.340 -0.000 0.000 0.257 182 Q C -1.898 173.801 176.000 -0.502 0.000 0.941 182 Q CA -0.860 54.720 55.803 -0.371 0.000 0.931 182 Q CB 1.956 30.567 28.738 -0.211 0.000 1.215 182 Q HN 0.745 nan 8.270 nan 0.000 0.437 183 Y N 5.567 125.752 120.300 -0.193 0.000 2.426 183 Y HA 0.338 4.888 4.550 -0.000 0.000 0.325 183 Y C 0.168 176.160 175.900 0.154 0.000 0.989 183 Y CA -0.650 57.490 58.100 0.066 0.000 1.284 183 Y CB 0.546 39.287 38.460 0.469 0.000 1.104 183 Y HN 1.007 nan 8.280 nan 0.000 0.481 184 M N 1.401 120.789 119.600 -0.354 0.000 7.319 184 M HA -0.404 4.076 4.480 -0.000 0.000 0.292 184 M C -0.107 176.132 176.300 -0.102 0.000 0.480 184 M CA 2.240 57.350 55.300 -0.318 0.000 1.311 184 M CB -0.992 31.249 32.600 -0.598 0.000 0.421 184 M HN 0.561 nan 8.290 nan 0.000 0.545 185 D N 1.242 121.547 120.400 -0.158 0.000 2.395 185 D HA 0.264 4.904 4.640 -0.000 0.000 0.226 185 D C -0.888 175.396 176.300 -0.025 0.000 1.146 185 D CA 0.412 54.348 54.000 -0.106 0.000 0.830 185 D CB 0.074 40.758 40.800 -0.193 0.000 0.958 185 D HN 0.246 nan 8.370 nan 0.000 0.501 186 D N -0.293 120.111 120.400 0.006 0.000 2.547 186 D HA 0.441 5.081 4.640 -0.000 0.000 0.231 186 D C -0.363 175.901 176.300 -0.060 0.000 1.099 186 D CA -0.468 53.501 54.000 -0.052 0.000 0.901 186 D CB 2.077 42.826 40.800 -0.084 0.000 1.478 186 D HN -0.121 nan 8.370 nan 0.000 0.471 187 L N 1.650 122.769 121.223 -0.175 0.000 2.406 187 L HA 0.376 4.716 4.340 -0.000 0.000 0.272 187 L C -1.169 175.554 176.870 -0.245 0.000 0.980 187 L CA -0.895 53.867 54.840 -0.130 0.000 0.831 187 L CB 1.235 43.227 42.059 -0.113 0.000 1.253 187 L HN 0.239 nan 8.230 nan 0.000 0.406 188 Y N 2.709 122.962 120.300 -0.077 0.000 2.341 188 Y HA 0.434 4.984 4.550 -0.000 0.000 0.340 188 Y C 0.150 175.990 175.900 -0.099 0.000 0.997 188 Y CA -0.698 57.316 58.100 -0.143 0.000 1.149 188 Y CB 1.482 39.826 38.460 -0.193 0.000 1.171 188 Y HN 0.164 nan 8.280 nan 0.000 0.494 189 V N 3.504 123.426 119.914 0.014 0.000 2.384 189 V HA 0.798 4.918 4.120 -0.000 0.000 0.287 189 V C 0.344 176.499 176.094 0.101 0.000 1.020 189 V CA -0.730 61.595 62.300 0.041 0.000 0.850 189 V CB 1.317 33.135 31.823 -0.008 0.000 0.987 189 V HN 0.925 nan 8.190 nan 0.000 0.436 190 G N 2.220 111.076 108.800 0.093 0.000 2.537 190 G HA2 0.773 4.733 3.960 -0.000 0.000 0.308 190 G HA3 0.773 4.733 3.960 -0.000 0.000 0.308 190 G C -0.888 174.080 174.900 0.114 0.000 1.237 190 G CA -0.487 44.657 45.100 0.074 0.000 0.968 190 G HN 0.854 nan 8.290 nan 0.000 0.481 191 S N -1.307 114.433 115.700 0.068 0.000 2.636 191 S HA 0.408 4.878 4.470 -0.000 0.000 0.266 191 S C -1.359 173.261 174.600 0.033 0.000 1.147 191 S CA -0.549 57.708 58.200 0.095 0.000 0.815 191 S CB 1.700 65.050 63.200 0.250 0.000 1.119 191 S HN 0.348 nan 8.310 nan 0.000 0.470 192 D N 1.389 121.817 120.400 0.047 0.000 2.424 192 D HA 0.323 4.963 4.640 -0.000 0.000 0.220 192 D C -0.052 176.273 176.300 0.042 0.000 1.150 192 D CA 0.148 54.165 54.000 0.028 0.000 0.831 192 D CB 0.067 40.881 40.800 0.022 0.000 0.981 192 D HN 0.382 nan 8.370 nan 0.000 0.500 193 L N 1.838 123.108 121.223 0.078 0.000 2.395 193 L HA 0.144 4.483 4.340 -0.000 0.000 0.269 193 L C 0.957 177.876 176.870 0.081 0.000 1.133 193 L CA -0.730 54.169 54.840 0.097 0.000 0.812 193 L CB 0.702 42.856 42.059 0.159 0.000 1.125 193 L HN -0.063 nan 8.230 nan 0.000 0.452 194 E N 2.938 123.182 120.200 0.073 0.000 2.316 194 E HA 0.029 4.379 4.350 -0.000 0.000 0.275 194 E C 0.985 177.640 176.600 0.092 0.000 1.029 194 E CA -0.281 56.155 56.400 0.061 0.000 0.871 194 E CB 1.369 31.098 29.700 0.047 0.000 1.022 194 E HN 0.605 nan 8.360 nan 0.000 0.418 195 I N 3.019 123.634 120.570 0.076 0.000 2.322 195 I HA -0.448 3.722 4.170 -0.000 0.000 0.235 195 I C 2.016 178.217 176.117 0.140 0.000 0.967 195 I CA 2.897 64.263 61.300 0.110 0.000 1.260 195 I CB -0.609 37.437 38.000 0.078 0.000 0.968 195 I HN 0.797 nan 8.210 nan 0.000 0.398 196 G N -0.857 108.001 108.800 0.097 0.000 2.681 196 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.220 196 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.220 196 G C 1.360 176.315 174.900 0.092 0.000 1.210 196 G CA 1.387 46.537 45.100 0.084 0.000 0.783 196 G HN 0.555 nan 8.290 nan 0.000 0.609 197 Q N -0.234 119.621 119.800 0.092 0.000 2.291 197 Q HA -0.082 4.258 4.340 -0.000 0.000 0.205 197 Q C 2.079 178.143 176.000 0.105 0.000 0.970 197 Q CA 1.959 57.812 55.803 0.083 0.000 0.876 197 Q CB -0.554 28.227 28.738 0.071 0.000 0.935 197 Q HN 0.778 nan 8.270 nan 0.000 0.455 198 H N -0.310 118.792 119.070 0.052 0.000 2.389 198 H HA 0.087 4.643 4.556 -0.000 0.000 0.299 198 H C 1.586 176.953 175.328 0.065 0.000 1.081 198 H CA 1.698 57.781 56.048 0.058 0.000 1.345 198 H CB 0.246 30.043 29.762 0.057 0.000 1.393 198 H HN 0.225 nan 8.280 nan 0.000 0.520 199 R N -0.754 119.784 120.500 0.064 0.000 2.090 199 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 199 R C 2.185 178.487 176.300 0.003 0.000 1.110 199 R CA 1.531 57.651 56.100 0.034 0.000 0.973 199 R CB -0.216 30.148 30.300 0.106 0.000 0.869 199 R HN 0.301 nan 8.270 nan 0.000 0.440 200 T N 1.271 115.836 114.554 0.019 0.000 2.652 200 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 200 T C 1.710 176.417 174.700 0.012 0.000 1.039 200 T CA 1.522 63.637 62.100 0.025 0.000 1.153 200 T CB -0.143 68.746 68.868 0.034 0.000 0.863 200 T HN 0.056 nan 8.240 nan 0.000 0.428 201 K N 0.804 121.192 120.400 -0.019 0.000 2.211 201 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 201 K C 1.917 178.509 176.600 -0.012 0.000 1.047 201 K CA 1.026 57.317 56.287 0.008 0.000 0.935 201 K CB -0.507 31.979 32.500 -0.024 0.000 0.728 201 K HN 0.418 nan 8.250 nan 0.000 0.452 202 I N 0.126 120.618 120.570 -0.129 0.000 2.277 202 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 202 I C 1.845 177.934 176.117 -0.046 0.000 1.094 202 I CA 0.709 61.922 61.300 -0.145 0.000 1.393 202 I CB -0.186 37.696 38.000 -0.197 0.000 1.078 202 I HN 0.112 nan 8.210 nan 0.000 0.417 203 E N 0.798 121.009 120.200 0.018 0.000 2.160 203 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 203 E C 1.873 178.511 176.600 0.063 0.000 0.991 203 E CA 1.166 57.599 56.400 0.054 0.000 0.810 203 E CB -0.271 29.466 29.700 0.061 0.000 0.742 203 E HN 0.535 nan 8.360 nan 0.000 0.466 204 E N 0.347 120.596 120.200 0.083 0.000 2.110 204 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 204 E C 2.118 178.822 176.600 0.173 0.000 0.988 204 E CA 0.651 57.144 56.400 0.156 0.000 0.804 204 E CB -0.026 29.799 29.700 0.209 0.000 0.745 204 E HN 0.111 nan 8.360 nan 0.000 0.458 205 L N 1.157 122.382 121.223 0.003 0.000 2.007 205 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 205 L C 2.287 179.112 176.870 -0.074 0.000 1.073 205 L CA 1.663 56.325 54.840 -0.297 0.000 0.744 205 L CB -0.350 41.371 42.059 -0.563 0.000 0.898 205 L HN -0.009 nan 8.230 nan 0.000 0.435 206 R N -0.863 119.614 120.500 -0.039 0.000 2.119 206 R HA -0.245 4.094 4.340 -0.000 0.000 0.246 206 R C 2.290 178.626 176.300 0.060 0.000 1.146 206 R CA 1.653 57.764 56.100 0.019 0.000 0.962 206 R CB -0.650 29.681 30.300 0.052 0.000 0.863 206 R HN 0.398 nan 8.270 nan 0.000 0.442 207 Q N -0.000 119.848 119.800 0.080 0.000 2.123 207 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 207 Q C 1.982 178.053 176.000 0.119 0.000 0.966 207 Q CA 1.497 57.352 55.803 0.088 0.000 0.845 207 Q CB -0.347 28.444 28.738 0.089 0.000 0.907 207 Q HN 0.490 nan 8.270 nan 0.000 0.439 208 H N -0.729 118.392 119.070 0.084 0.000 2.423 208 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 208 H C 1.411 176.851 175.328 0.187 0.000 1.075 208 H CA 1.212 57.351 56.048 0.151 0.000 1.342 208 H CB 0.198 30.084 29.762 0.206 0.000 1.395 208 H HN 0.243 nan 8.280 nan 0.000 0.530 209 L N 0.579 121.886 121.223 0.140 0.000 2.217 209 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 209 L C 2.460 179.377 176.870 0.078 0.000 1.107 209 L CA 0.695 55.596 54.840 0.102 0.000 0.783 209 L CB -0.731 41.370 42.059 0.070 0.000 0.919 209 L HN 0.237 nan 8.230 nan 0.000 0.442 210 L N -0.797 120.456 121.223 0.050 0.000 2.131 210 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 210 L C 2.536 179.398 176.870 -0.014 0.000 1.087 210 L CA 1.384 56.243 54.840 0.031 0.000 0.767 210 L CB -0.482 41.593 42.059 0.026 0.000 0.917 210 L HN 0.125 nan 8.230 nan 0.000 0.441 211 R N -2.050 118.408 120.500 -0.071 0.000 2.249 211 R HA -0.203 4.137 4.340 -0.000 0.000 0.230 211 R C 0.901 176.991 176.300 -0.349 0.000 1.121 211 R CA 1.719 57.688 56.100 -0.218 0.000 0.997 211 R CB -0.264 29.869 30.300 -0.278 0.000 0.867 211 R HN 0.443 nan 8.270 nan 0.000 0.465 212 W N -1.407 119.810 121.300 -0.139 0.000 2.846 212 W HA 0.281 4.941 4.660 -0.000 0.000 0.391 212 W C 0.936 177.424 176.519 -0.052 0.000 1.011 212 W CA 0.297 57.574 57.345 -0.114 0.000 1.832 212 W CB 1.229 30.587 29.460 -0.171 0.000 1.151 212 W HN 0.175 nan 8.180 nan 0.000 0.582 213 G N 0.246 109.125 108.800 0.131 0.000 2.175 213 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 213 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 213 G C -0.319 174.651 174.900 0.118 0.000 0.982 213 G CA -0.380 44.787 45.100 0.111 0.000 0.641 213 G HN 0.003 nan 8.290 nan 0.000 0.527 214 L N 2.699 123.993 121.223 0.119 0.000 2.276 214 L HA 0.524 4.864 4.340 -0.000 0.000 0.286 214 L C 1.111 178.029 176.870 0.080 0.000 1.024 214 L CA 0.260 55.164 54.840 0.107 0.000 0.826 214 L CB 0.441 42.559 42.059 0.099 0.000 1.211 214 L HN 0.424 nan 8.230 nan 0.000 0.422 215 T N 0.157 114.756 114.554 0.075 0.000 2.922 215 T HA 0.737 5.087 4.350 -0.000 0.000 0.285 215 T C 0.345 175.079 174.700 0.056 0.000 1.005 215 T CA -0.489 61.647 62.100 0.060 0.000 1.061 215 T CB 1.953 70.853 68.868 0.054 0.000 1.007 215 T HN 0.649 nan 8.240 nan 0.000 0.502 216 T N -1.105 113.483 114.554 0.057 0.000 2.865 216 T HA 0.681 5.031 4.350 -0.000 0.000 0.294 216 T C -3.163 171.589 174.700 0.087 0.000 1.119 216 T CA -1.979 60.160 62.100 0.066 0.000 1.007 216 T CB 0.731 69.636 68.868 0.061 0.000 1.225 216 T HN 0.453 nan 8.240 nan 0.000 0.515 217 P HA 0.200 nan 4.420 nan 0.000 0.267 217 P C 0.362 177.689 177.300 0.045 0.000 1.205 217 P CA -0.066 63.098 63.100 0.105 0.000 0.765 217 P CB 0.488 32.294 31.700 0.176 0.000 0.828 218 D N 2.989 123.349 120.400 -0.068 0.000 2.074 218 D HA -0.149 4.491 4.640 -0.000 0.000 0.221 218 D C 0.952 176.977 176.300 -0.460 0.000 0.972 218 D CA 1.350 55.262 54.000 -0.147 0.000 0.901 218 D CB 0.275 41.027 40.800 -0.081 0.000 1.047 218 D HN 0.107 nan 8.370 nan 0.000 0.453 219 K N -0.123 120.079 120.400 -0.330 0.000 2.455 219 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 219 K C 0.802 177.265 176.600 -0.230 0.000 1.027 219 K CA 0.028 56.102 56.287 -0.356 0.000 1.113 219 K CB 0.238 32.643 32.500 -0.158 0.000 0.850 219 K HN -0.052 nan 8.250 nan 0.000 0.503 220 K N 0.052 120.339 120.400 -0.189 0.000 2.444 220 K HA 0.050 4.370 4.320 -0.000 0.000 0.193 220 K C -0.475 176.150 176.600 0.042 0.000 1.024 220 K CA 0.060 56.319 56.287 -0.046 0.000 1.077 220 K CB -0.265 32.227 32.500 -0.012 0.000 0.833 220 K HN 0.427 nan 8.250 nan 0.000 0.517 221 H N 2.257 121.347 119.070 0.033 0.000 3.156 221 H HA -0.141 4.415 4.556 -0.000 0.000 0.213 221 H C 1.479 176.845 175.328 0.063 0.000 0.718 221 H CA -0.197 55.874 56.048 0.039 0.000 1.408 221 H CB -0.045 29.747 29.762 0.050 0.000 1.459 221 H HN 0.249 nan 8.280 nan 0.000 0.464 222 Q N 3.434 123.337 119.800 0.173 0.000 2.404 222 Q HA -0.248 4.092 4.340 -0.000 0.000 0.214 222 Q C 1.370 177.512 176.000 0.237 0.000 0.992 222 Q CA 0.993 56.890 55.803 0.157 0.000 0.899 222 Q CB 0.099 28.908 28.738 0.117 0.000 0.921 222 Q HN 0.529 nan 8.270 nan 0.000 0.453 223 K N 1.493 122.037 120.400 0.239 0.000 2.296 223 K HA -0.209 4.111 4.320 -0.000 0.000 0.259 223 K C -0.763 176.058 176.600 0.370 0.000 1.000 223 K CA 1.277 57.762 56.287 0.330 0.000 0.844 223 K CB 0.159 32.788 32.500 0.215 0.000 1.008 223 K HN 0.375 nan 8.250 nan 0.000 0.532 224 E N -0.027 120.416 120.200 0.404 0.000 6.912 224 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 224 E C -2.215 174.252 176.600 -0.221 0.000 1.039 224 E CA -0.138 56.347 56.400 0.142 0.000 1.563 224 E CB -1.111 28.645 29.700 0.093 0.000 0.928 224 E HN 0.629 nan 8.360 nan 0.000 0.296 225 P HA -0.204 nan 4.420 nan 0.000 0.288 225 P C -2.213 174.368 177.300 -1.197 0.000 1.836 225 P CA 0.309 62.489 63.100 -1.533 0.000 1.644 225 P CB -0.712 30.660 31.700 -0.548 0.000 0.363 226 P HA -0.182 nan 4.420 nan 0.000 0.094 226 P C -0.662 176.382 177.300 -0.427 0.000 0.730 226 P CA 1.294 64.008 63.100 -0.644 0.000 1.053 226 P CB -1.485 30.016 31.700 -0.332 0.000 1.671 227 F N 2.335 122.312 119.950 0.045 0.000 2.385 227 F HA 0.353 4.880 4.527 -0.000 0.000 0.336 227 F C 1.020 176.960 175.800 0.232 0.000 1.100 227 F CA -1.163 56.941 58.000 0.173 0.000 1.116 227 F CB 0.744 39.895 39.000 0.251 0.000 1.166 227 F HN -0.092 nan 8.300 nan 0.000 0.511 228 L N 3.179 124.669 121.223 0.445 0.000 2.283 228 L HA 0.244 4.583 4.340 -0.000 0.000 0.281 228 L C -1.298 175.835 176.870 0.438 0.000 1.033 228 L CA -0.481 54.579 54.840 0.366 0.000 0.848 228 L CB 0.550 42.755 42.059 0.243 0.000 1.226 228 L HN 0.625 nan 8.230 nan 0.000 0.429 229 W N 6.519 127.955 121.300 0.226 0.000 2.543 229 W HA 0.527 5.188 4.660 0.000 0.000 0.318 229 W C -0.146 176.456 176.519 0.139 0.000 1.002 229 W CA -0.867 56.560 57.345 0.137 0.000 1.302 229 W CB 1.062 30.529 29.460 0.011 0.000 1.299 229 W HN 0.391 nan 8.180 nan 0.000 0.424 230 M N 5.382 124.695 119.600 -0.477 0.000 2.653 230 M HA -0.205 4.275 4.480 -0.000 0.000 0.203 230 M C 1.089 177.155 176.300 -0.390 0.000 0.502 230 M CA 1.820 56.748 55.300 -0.620 0.000 0.601 230 M CB -2.165 29.699 32.600 -1.227 0.000 2.228 230 M HN 1.417 nan 8.290 nan 0.000 0.711 231 G N -1.652 107.019 108.800 -0.215 0.000 2.157 231 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 231 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 231 G C -0.323 174.603 174.900 0.044 0.000 0.982 231 G CA 0.335 45.325 45.100 -0.184 0.000 0.650 231 G HN 0.539 nan 8.290 nan 0.000 0.527 232 Y N 0.094 120.564 120.300 0.284 0.000 2.534 232 Y HA 0.700 5.249 4.550 -0.000 0.000 0.329 232 Y C 0.526 176.634 175.900 0.346 0.000 1.154 232 Y CA -1.036 57.280 58.100 0.360 0.000 1.192 232 Y CB 1.346 40.007 38.460 0.336 0.000 1.275 232 Y HN 0.139 nan 8.280 nan 0.000 0.491 233 E N 2.234 122.772 120.200 0.563 0.000 2.165 233 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 233 E C -1.938 174.965 176.600 0.505 0.000 0.889 233 E CA -0.481 56.184 56.400 0.441 0.000 0.756 233 E CB 0.762 30.684 29.700 0.369 0.000 1.131 233 E HN 0.602 nan 8.360 nan 0.000 0.411 234 L N 5.571 127.044 121.223 0.417 0.000 2.316 234 L HA 0.449 4.789 4.340 -0.000 0.000 0.280 234 L C -0.034 177.022 176.870 0.309 0.000 1.006 234 L CA -0.772 54.351 54.840 0.472 0.000 0.836 234 L CB 1.097 43.431 42.059 0.459 0.000 1.221 234 L HN 0.501 nan 8.230 nan 0.000 0.418 235 H N 3.583 122.850 119.070 0.328 0.000 2.525 235 H HA 0.233 4.789 4.556 -0.000 0.000 0.340 235 H C -1.608 173.932 175.328 0.352 0.000 1.168 235 H CA -1.852 54.332 56.048 0.226 0.000 1.247 235 H CB 2.009 31.836 29.762 0.107 0.000 1.568 235 H HN 0.371 nan 8.280 nan 0.000 0.536 236 P HA -0.148 nan 4.420 nan 0.000 0.222 236 P C 0.641 178.171 177.300 0.383 0.000 1.147 236 P CA 1.305 64.585 63.100 0.300 0.000 0.790 236 P CB 0.401 32.211 31.700 0.183 0.000 0.780 237 D N -0.503 120.130 120.400 0.390 0.000 2.431 237 D HA 0.013 4.653 4.640 -0.000 0.000 0.227 237 D C 0.865 177.302 176.300 0.228 0.000 1.030 237 D CA 0.530 54.719 54.000 0.314 0.000 0.897 237 D CB 0.207 41.082 40.800 0.125 0.000 1.058 237 D HN 0.318 nan 8.370 nan 0.000 0.500 238 K N -0.846 119.609 120.400 0.093 0.000 2.439 238 K HA 0.531 4.851 4.320 -0.000 0.000 0.260 238 K C -0.944 175.633 176.600 -0.038 0.000 1.032 238 K CA -1.122 55.015 56.287 -0.248 0.000 0.882 238 K CB 2.217 34.550 32.500 -0.279 0.000 1.420 238 K HN 0.193 nan 8.250 nan 0.000 0.455 239 W N -0.005 121.154 121.300 -0.235 0.000 3.029 239 W HA 0.705 5.364 4.660 -0.000 0.000 0.339 239 W C -1.675 174.935 176.519 0.152 0.000 1.198 239 W CA -0.891 56.496 57.345 0.070 0.000 1.148 239 W CB 1.449 30.923 29.460 0.024 0.000 1.451 239 W HN 0.811 nan 8.180 nan 0.000 0.564 240 T N 0.098 114.838 114.554 0.311 0.000 2.718 240 T HA 0.445 4.795 4.350 -0.000 0.000 0.306 240 T C -0.837 174.113 174.700 0.416 0.000 1.485 240 T CA -0.229 61.815 62.100 -0.093 0.000 0.997 240 T CB 0.912 69.550 68.868 -0.385 0.000 1.504 240 T HN 0.878 nan 8.240 nan 0.000 0.497 241 V N 1.022 121.107 119.914 0.286 0.000 3.003 241 V HA 0.551 4.671 4.120 -0.000 0.000 0.305 241 V C 0.617 176.892 176.094 0.302 0.000 1.078 241 V CA -0.723 61.795 62.300 0.363 0.000 1.083 241 V CB 0.439 32.409 31.823 0.245 0.000 1.039 241 V HN 0.994 nan 8.190 nan 0.000 0.481 242 Q N 2.848 122.831 119.800 0.305 0.000 2.330 242 Q HA 0.241 4.581 4.340 -0.000 0.000 0.279 242 Q C -2.151 173.943 176.000 0.158 0.000 1.024 242 Q CA -1.286 54.646 55.803 0.215 0.000 0.900 242 Q CB 0.579 29.411 28.738 0.156 0.000 1.221 242 Q HN 0.713 nan 8.270 nan 0.000 0.396 243 P HA -0.066 nan 4.420 nan 0.000 0.263 243 P C -1.051 176.280 177.300 0.052 0.000 1.175 243 P CA 0.400 63.550 63.100 0.084 0.000 0.761 243 P CB 0.423 32.171 31.700 0.080 0.000 0.794 244 I N 3.943 124.526 120.570 0.022 0.000 2.534 244 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 244 I C -0.986 175.124 176.117 -0.010 0.000 1.077 244 I CA -1.032 60.269 61.300 0.002 0.000 1.051 244 I CB 2.172 40.168 38.000 -0.006 0.000 1.234 244 I HN 0.126 nan 8.210 nan 0.000 0.425 245 V N 7.999 127.913 119.914 0.000 0.000 2.732 245 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 245 V C -0.923 175.181 176.094 0.017 0.000 1.053 245 V CA -0.549 61.754 62.300 0.004 0.000 0.957 245 V CB 1.930 33.756 31.823 0.006 0.000 1.018 245 V HN 0.614 nan 8.190 nan 0.000 0.452 246 L N 5.917 127.158 121.223 0.031 0.000 2.488 246 L HA 0.486 4.826 4.340 -0.000 0.000 0.250 246 L C -2.405 174.508 176.870 0.072 0.000 1.280 246 L CA -1.440 53.446 54.840 0.077 0.000 0.929 246 L CB 0.841 42.965 42.059 0.108 0.000 1.200 246 L HN 0.476 nan 8.230 nan 0.000 0.495 247 P HA 0.005 nan 4.420 nan 0.000 0.270 247 P C -0.080 177.226 177.300 0.009 0.000 1.227 247 P CA -0.220 62.882 63.100 0.003 0.000 0.788 247 P CB 0.692 32.371 31.700 -0.034 0.000 0.926 248 E N 1.215 121.416 120.200 0.003 0.000 2.392 248 E HA 0.092 4.442 4.350 -0.000 0.000 0.264 248 E C -0.666 175.898 176.600 -0.060 0.000 1.024 248 E CA 0.111 56.521 56.400 0.017 0.000 0.903 248 E CB 0.245 29.954 29.700 0.014 0.000 0.963 248 E HN 0.232 nan 8.360 nan 0.000 0.432 249 K N 3.024 123.397 120.400 -0.045 0.000 2.542 249 K HA 0.203 4.522 4.320 -0.000 0.000 0.259 249 K C -0.936 175.642 176.600 -0.037 0.000 0.932 249 K CA -0.728 55.437 56.287 -0.203 0.000 0.820 249 K CB 1.634 33.715 32.500 -0.698 0.000 1.345 249 K HN 0.381 nan 8.250 nan 0.000 0.432 250 D N 0.373 120.739 120.400 -0.057 0.000 2.379 250 D HA 0.066 4.706 4.640 -0.000 0.000 0.208 250 D C -0.467 175.867 176.300 0.056 0.000 1.065 250 D CA 0.536 54.561 54.000 0.041 0.000 0.848 250 D CB 0.840 41.651 40.800 0.018 0.000 0.949 250 D HN 0.233 nan 8.370 nan 0.000 0.509 251 S N 0.279 115.935 115.700 -0.074 0.000 2.594 251 S HA 0.375 4.845 4.470 -0.000 0.000 0.296 251 S C -1.379 173.109 174.600 -0.187 0.000 1.124 251 S CA -0.703 57.476 58.200 -0.034 0.000 1.011 251 S CB 1.476 64.647 63.200 -0.048 0.000 1.016 251 S HN 0.079 nan 8.310 nan 0.000 0.485 252 W N 2.439 123.732 121.300 -0.012 0.000 2.475 252 W HA 0.424 5.084 4.660 -0.000 0.000 0.320 252 W C 0.552 177.063 176.519 -0.013 0.000 1.022 252 W CA -0.607 56.730 57.345 -0.013 0.000 1.240 252 W CB 1.236 30.687 29.460 -0.013 0.000 1.328 252 W HN 0.620 nan 8.180 nan 0.000 0.439 253 T N -1.281 113.357 114.554 0.140 0.000 2.913 253 T HA 0.219 4.569 4.350 -0.000 0.000 0.287 253 T C 1.035 175.808 174.700 0.121 0.000 1.008 253 T CA -0.741 61.415 62.100 0.094 0.000 1.067 253 T CB 1.433 70.318 68.868 0.029 0.000 0.996 253 T HN 0.216 nan 8.240 nan 0.000 0.513 254 V N 2.084 122.046 119.914 0.080 0.000 2.277 254 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 254 V C 2.858 178.991 176.094 0.066 0.000 1.067 254 V CA 2.493 64.831 62.300 0.064 0.000 1.047 254 V CB -1.264 30.580 31.823 0.036 0.000 0.649 254 V HN 1.061 nan 8.190 nan 0.000 0.447 255 N N -0.188 118.542 118.700 0.049 0.000 2.061 255 N HA -0.253 4.487 4.740 -0.000 0.000 0.193 255 N C 1.579 177.128 175.510 0.065 0.000 1.030 255 N CA 1.945 55.018 53.050 0.038 0.000 0.856 255 N CB -0.113 38.382 38.487 0.014 0.000 1.023 255 N HN 0.523 nan 8.380 nan 0.000 0.424 256 D N 0.862 121.320 120.400 0.097 0.000 2.092 256 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 256 D C 1.944 178.430 176.300 0.310 0.000 0.994 256 D CA 0.917 55.015 54.000 0.163 0.000 0.828 256 D CB -0.382 40.494 40.800 0.126 0.000 0.963 256 D HN 0.472 nan 8.370 nan 0.000 0.450 257 I N 0.145 120.905 120.570 0.317 0.000 2.676 257 I HA -0.181 3.989 4.170 -0.000 0.000 0.259 257 I C 2.071 178.238 176.117 0.083 0.000 1.194 257 I CA 1.093 62.504 61.300 0.184 0.000 1.473 257 I CB -0.039 38.004 38.000 0.072 0.000 1.096 257 I HN -0.163 nan 8.210 nan 0.000 0.443 258 Q N 1.264 121.109 119.800 0.076 0.000 1.985 258 Q HA -0.267 4.073 4.340 -0.000 0.000 0.207 258 Q C 2.229 178.253 176.000 0.040 0.000 0.996 258 Q CA 2.588 58.416 55.803 0.041 0.000 0.851 258 Q CB -0.174 28.583 28.738 0.032 0.000 0.921 258 Q HN 0.482 nan 8.270 nan 0.000 0.418 259 K N -0.122 120.310 120.400 0.052 0.000 2.103 259 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 259 K C 1.945 178.578 176.600 0.055 0.000 1.048 259 K CA 1.060 57.371 56.287 0.039 0.000 0.930 259 K CB -0.289 32.232 32.500 0.035 0.000 0.716 259 K HN 0.241 nan 8.250 nan 0.000 0.444 260 L N 0.941 122.223 121.223 0.099 0.000 1.994 260 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 260 L C 2.071 178.956 176.870 0.025 0.000 1.071 260 L CA 1.608 56.498 54.840 0.084 0.000 0.745 260 L CB -0.544 41.581 42.059 0.109 0.000 0.892 260 L HN 0.016 nan 8.230 nan 0.000 0.431 261 V N 0.754 120.675 119.914 0.010 0.000 2.282 261 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 261 V C 2.809 178.918 176.094 0.024 0.000 1.057 261 V CA 1.978 64.279 62.300 0.002 0.000 1.032 261 V CB -1.509 30.313 31.823 -0.002 0.000 0.645 261 V HN 0.669 nan 8.190 nan 0.000 0.447 262 G N -0.540 108.276 108.800 0.026 0.000 2.459 262 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 262 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 262 G C 1.671 176.610 174.900 0.064 0.000 1.183 262 G CA 0.825 45.945 45.100 0.034 0.000 0.776 262 G HN 0.343 nan 8.290 nan 0.000 0.552 263 K N -0.237 120.189 120.400 0.043 0.000 2.097 263 K HA 0.048 4.367 4.320 -0.000 0.000 0.206 263 K C 2.537 179.185 176.600 0.079 0.000 1.049 263 K CA 0.442 56.766 56.287 0.062 0.000 0.933 263 K CB -0.649 31.867 32.500 0.028 0.000 0.717 263 K HN 0.215 nan 8.250 nan 0.000 0.442 264 L N 2.023 123.268 121.223 0.038 0.000 1.994 264 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 264 L C 1.901 178.801 176.870 0.050 0.000 1.071 264 L CA 1.634 56.481 54.840 0.012 0.000 0.745 264 L CB -1.255 40.796 42.059 -0.013 0.000 0.892 264 L HN 0.201 nan 8.230 nan 0.000 0.431 265 N N -1.269 117.479 118.700 0.080 0.000 2.094 265 N HA -0.282 4.458 4.740 -0.000 0.000 0.191 265 N C 1.737 177.346 175.510 0.166 0.000 1.023 265 N CA 1.341 54.456 53.050 0.108 0.000 0.857 265 N CB -0.423 38.131 38.487 0.112 0.000 1.013 265 N HN 0.517 nan 8.380 nan 0.000 0.426 266 W N 1.781 123.080 121.300 -0.002 0.000 2.358 266 W HA -0.116 4.544 4.660 -0.000 0.000 0.303 266 W C 2.065 178.613 176.519 0.048 0.000 1.208 266 W CA 1.598 58.944 57.345 0.002 0.000 1.274 266 W CB -0.120 29.310 29.460 -0.050 0.000 1.138 266 W HN 0.056 nan 8.180 nan 0.000 0.515 267 A N 0.682 123.567 122.820 0.108 0.000 1.933 267 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 267 A C 1.859 179.496 177.584 0.089 0.000 1.175 267 A CA 2.138 54.198 52.037 0.037 0.000 0.628 267 A CB -1.392 17.522 19.000 -0.142 0.000 0.814 267 A HN 0.343 nan 8.150 nan 0.000 0.444 268 S N -0.598 115.130 115.700 0.047 0.000 2.693 268 S HA -0.160 4.310 4.470 -0.000 0.000 0.243 268 S C 1.472 176.086 174.600 0.023 0.000 0.973 268 S CA 1.180 59.408 58.200 0.046 0.000 0.969 268 S CB -0.405 62.811 63.200 0.026 0.000 0.771 268 S HN 0.716 nan 8.310 nan 0.000 0.542 269 Q N -0.497 119.319 119.800 0.026 0.000 2.402 269 Q HA 0.294 4.634 4.340 -0.000 0.000 0.206 269 Q C 1.291 177.390 176.000 0.164 0.000 0.919 269 Q CA 0.670 56.512 55.803 0.064 0.000 0.923 269 Q CB 0.157 28.872 28.738 -0.037 0.000 1.048 269 Q HN 0.662 nan 8.270 nan 0.000 0.515 270 I N -1.500 119.115 120.570 0.075 0.000 4.887 270 I HA 0.143 4.313 4.170 -0.000 0.000 0.349 270 I C -1.162 174.826 176.117 -0.215 0.000 1.266 270 I CA -0.188 61.042 61.300 -0.117 0.000 1.376 270 I CB 0.986 38.721 38.000 -0.443 0.000 1.556 270 I HN -0.073 nan 8.210 nan 0.000 0.530 271 Y N 5.086 125.319 120.300 -0.110 0.000 2.477 271 Y HA 0.452 5.002 4.550 -0.000 0.000 0.349 271 Y C -2.064 173.787 175.900 -0.082 0.000 0.977 271 Y CA -2.480 55.561 58.100 -0.098 0.000 1.214 271 Y CB 0.297 38.708 38.460 -0.081 0.000 1.124 271 Y HN 0.061 nan 8.280 nan 0.000 0.521 272 P HA 0.100 nan 4.420 nan 0.000 0.271 272 P C 0.425 177.728 177.300 0.005 0.000 1.220 272 P CA 0.349 63.439 63.100 -0.018 0.000 0.768 272 P CB 1.174 32.846 31.700 -0.048 0.000 0.848 273 G N 3.463 112.261 108.800 -0.004 0.000 2.341 273 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.278 273 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.278 273 G C -0.181 174.720 174.900 0.003 0.000 1.111 273 G CA -0.634 44.463 45.100 -0.005 0.000 0.982 273 G HN 0.472 nan 8.290 nan 0.000 0.502 274 I N 0.143 120.717 120.570 0.007 0.000 2.331 274 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 274 I C 0.337 176.448 176.117 -0.010 0.000 0.998 274 I CA -0.494 60.804 61.300 -0.003 0.000 1.267 274 I CB 1.564 39.566 38.000 0.004 0.000 1.386 274 I HN 0.071 nan 8.210 nan 0.000 0.476 275 K N 4.802 125.188 120.400 -0.024 0.000 2.292 275 K HA 0.465 4.785 4.320 -0.000 0.000 0.257 275 K C 0.344 176.920 176.600 -0.039 0.000 0.940 275 K CA -0.422 55.847 56.287 -0.029 0.000 0.811 275 K CB 2.105 34.582 32.500 -0.038 0.000 1.120 275 K HN 0.437 nan 8.250 nan 0.000 0.428 276 V N -0.166 119.728 119.914 -0.034 0.000 3.372 276 V HA 0.278 4.398 4.120 -0.000 0.000 0.304 276 V C 1.457 177.525 176.094 -0.042 0.000 1.530 276 V CA -0.177 62.098 62.300 -0.042 0.000 1.080 276 V CB 0.327 32.134 31.823 -0.027 0.000 0.929 276 V HN 0.693 nan 8.190 nan 0.000 0.455 277 R N 0.401 120.879 120.500 -0.037 0.000 2.073 277 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 277 R C 2.270 178.543 176.300 -0.045 0.000 1.134 277 R CA 2.283 58.361 56.100 -0.036 0.000 0.952 277 R CB -0.071 30.209 30.300 -0.033 0.000 0.850 277 R HN 0.560 nan 8.270 nan 0.000 0.433 278 Q N 0.241 120.007 119.800 -0.056 0.000 2.224 278 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 278 Q C 2.151 178.104 176.000 -0.079 0.000 0.970 278 Q CA 1.020 56.784 55.803 -0.064 0.000 0.865 278 Q CB 0.021 28.717 28.738 -0.070 0.000 0.922 278 Q HN 0.420 nan 8.270 nan 0.000 0.445 279 L N -0.726 120.443 121.223 -0.091 0.000 2.313 279 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 279 L C 2.326 179.150 176.870 -0.076 0.000 1.119 279 L CA 0.242 55.015 54.840 -0.112 0.000 0.809 279 L CB -0.125 41.852 42.059 -0.137 0.000 0.933 279 L HN 0.207 nan 8.230 nan 0.000 0.449 280 C N -0.160 119.107 119.300 -0.055 0.000 2.457 280 C HA -0.090 4.370 4.460 -0.000 0.000 0.278 280 C C 2.700 177.670 174.990 -0.033 0.000 1.309 280 C CA 0.369 59.364 59.018 -0.037 0.000 1.735 280 C CB -0.454 27.268 27.740 -0.029 0.000 1.992 280 C HN 0.447 nan 8.230 nan 0.000 0.493 281 K N 1.174 121.552 120.400 -0.037 0.000 2.001 281 K HA -0.167 4.152 4.320 -0.000 0.000 0.214 281 K C 1.679 178.262 176.600 -0.029 0.000 1.050 281 K CA 1.317 57.586 56.287 -0.031 0.000 0.934 281 K CB -0.593 31.887 32.500 -0.034 0.000 0.718 281 K HN 0.449 nan 8.250 nan 0.000 0.443 282 L N 1.156 122.356 121.223 -0.038 0.000 2.386 282 L HA -0.232 4.108 4.340 -0.000 0.000 0.220 282 L C 2.105 178.966 176.870 -0.016 0.000 1.115 282 L CA 0.955 55.776 54.840 -0.031 0.000 0.780 282 L CB -0.620 41.409 42.059 -0.050 0.000 0.902 282 L HN 0.243 nan 8.230 nan 0.000 0.442 283 L N -1.511 119.702 121.223 -0.016 0.000 2.477 283 L HA 0.073 4.413 4.340 -0.000 0.000 0.220 283 L C 1.448 178.315 176.870 -0.005 0.000 1.106 283 L CA -0.302 54.534 54.840 -0.006 0.000 0.851 283 L CB -0.129 41.926 42.059 -0.007 0.000 0.994 283 L HN 0.123 nan 8.230 nan 0.000 0.462 284 R N 2.133 122.627 120.500 -0.009 0.000 2.494 284 R HA 0.203 4.543 4.340 -0.000 0.000 0.291 284 R C 0.035 176.333 176.300 -0.004 0.000 0.953 284 R CA 1.330 57.425 56.100 -0.008 0.000 1.098 284 R CB -0.470 29.824 30.300 -0.010 0.000 0.911 284 R HN 0.321 nan 8.270 nan 0.000 0.407 285 G N 2.334 111.132 108.800 -0.003 0.000 2.587 285 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 285 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 285 G C -0.804 174.096 174.900 0.001 0.000 1.236 285 G CA -0.472 44.627 45.100 -0.001 0.000 0.820 285 G HN 0.539 nan 8.290 nan 0.000 0.645 286 T N 3.201 117.756 114.554 0.001 0.000 2.759 286 T HA 0.327 4.677 4.350 -0.000 0.000 0.273 286 T C 0.336 175.038 174.700 0.003 0.000 0.938 286 T CA 0.358 62.459 62.100 0.002 0.000 1.197 286 T CB 0.104 68.973 68.868 0.002 0.000 0.887 286 T HN 0.473 nan 8.240 nan 0.000 0.540 287 K N 2.644 123.047 120.400 0.004 0.000 2.307 287 K HA 0.573 4.893 4.320 -0.000 0.000 0.263 287 K C -0.065 176.539 176.600 0.007 0.000 0.973 287 K CA -0.655 55.636 56.287 0.006 0.000 0.846 287 K CB 1.936 34.442 32.500 0.009 0.000 1.100 287 K HN 0.578 nan 8.250 nan 0.000 0.438 288 A N 3.438 126.262 122.820 0.007 0.000 2.450 288 A HA 0.086 4.406 4.320 -0.000 0.000 0.255 288 A C 1.217 178.806 177.584 0.009 0.000 1.096 288 A CA -0.323 51.718 52.037 0.006 0.000 0.778 288 A CB 0.115 19.117 19.000 0.004 0.000 1.031 288 A HN 0.722 nan 8.150 nan 0.000 0.494 289 L N 2.834 124.061 121.223 0.006 0.000 2.349 289 L HA -0.108 4.232 4.340 -0.000 0.000 0.220 289 L C 2.350 179.226 176.870 0.010 0.000 1.130 289 L CA 2.642 57.487 54.840 0.009 0.000 0.791 289 L CB -0.277 41.784 42.059 0.003 0.000 0.918 289 L HN 0.900 nan 8.230 nan 0.000 0.444 290 T N -5.264 109.294 114.554 0.007 0.000 3.085 290 T HA 0.200 4.550 4.350 -0.000 0.000 0.264 290 T C 0.511 175.216 174.700 0.008 0.000 1.019 290 T CA -0.476 61.627 62.100 0.004 0.000 0.910 290 T CB -0.286 68.580 68.868 -0.003 0.000 1.059 290 T HN 0.247 nan 8.240 nan 0.000 0.542 291 E N 2.310 122.518 120.200 0.014 0.000 2.316 291 E HA 0.379 4.729 4.350 -0.000 0.000 0.275 291 E C 0.201 176.820 176.600 0.031 0.000 1.029 291 E CA -0.732 55.678 56.400 0.018 0.000 0.871 291 E CB 1.569 31.279 29.700 0.017 0.000 1.022 291 E HN 0.396 nan 8.360 nan 0.000 0.418 292 V N 1.862 121.795 119.914 0.031 0.000 2.572 292 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 292 V C 0.024 176.152 176.094 0.057 0.000 1.039 292 V CA -0.209 62.121 62.300 0.050 0.000 1.055 292 V CB 0.108 31.955 31.823 0.039 0.000 0.969 292 V HN 0.513 nan 8.190 nan 0.000 0.482 293 I N 6.995 127.615 120.570 0.083 0.000 2.382 293 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 293 I C -2.027 174.134 176.117 0.073 0.000 1.002 293 I CA -2.039 59.299 61.300 0.064 0.000 1.135 293 I CB 2.186 40.217 38.000 0.051 0.000 1.288 293 I HN 0.557 nan 8.210 nan 0.000 0.448 294 P HA 0.020 nan 4.420 nan 0.000 0.264 294 P C -0.560 176.748 177.300 0.014 0.000 1.193 294 P CA -0.094 63.032 63.100 0.043 0.000 0.763 294 P CB 1.001 32.716 31.700 0.026 0.000 0.810 295 L N 3.868 125.094 121.223 0.005 0.000 2.342 295 L HA 0.114 4.454 4.340 -0.000 0.000 0.285 295 L C 1.390 178.229 176.870 -0.051 0.000 1.095 295 L CA -0.240 54.562 54.840 -0.062 0.000 0.843 295 L CB 0.328 42.312 42.059 -0.124 0.000 1.201 295 L HN 0.538 nan 8.230 nan 0.000 0.445 296 T N -0.364 114.157 114.554 -0.054 0.000 2.680 296 T HA -0.052 4.298 4.350 -0.000 0.000 0.314 296 T C 0.983 175.655 174.700 -0.048 0.000 1.045 296 T CA -0.032 62.043 62.100 -0.042 0.000 1.025 296 T CB 0.817 69.661 68.868 -0.040 0.000 1.000 296 T HN 0.726 nan 8.240 nan 0.000 0.535 297 E N 0.329 120.507 120.200 -0.037 0.000 2.028 297 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 297 E C 1.943 178.516 176.600 -0.044 0.000 0.984 297 E CA 1.306 57.684 56.400 -0.036 0.000 0.800 297 E CB -0.219 29.465 29.700 -0.026 0.000 0.758 297 E HN 0.797 nan 8.360 nan 0.000 0.448 298 E N 0.556 120.730 120.200 -0.044 0.000 2.233 298 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 298 E C 1.570 178.134 176.600 -0.061 0.000 1.004 298 E CA 1.433 57.804 56.400 -0.048 0.000 0.819 298 E CB -0.250 29.423 29.700 -0.044 0.000 0.738 298 E HN 0.370 nan 8.360 nan 0.000 0.478 299 A N 0.461 123.236 122.820 -0.075 0.000 1.973 299 A HA -0.012 4.308 4.320 -0.000 0.000 0.210 299 A C 1.854 179.368 177.584 -0.117 0.000 1.200 299 A CA 0.526 52.500 52.037 -0.104 0.000 0.707 299 A CB -0.124 18.800 19.000 -0.126 0.000 0.862 299 A HN 0.140 nan 8.150 nan 0.000 0.461 300 E N 0.236 120.379 120.200 -0.096 0.000 2.086 300 E HA -0.244 4.106 4.350 -0.000 0.000 0.205 300 E C 1.715 178.271 176.600 -0.073 0.000 1.027 300 E CA 1.559 57.909 56.400 -0.083 0.000 0.830 300 E CB -0.283 29.387 29.700 -0.050 0.000 0.751 300 E HN 0.401 nan 8.360 nan 0.000 0.456 301 L N 0.616 121.803 121.223 -0.060 0.000 2.072 301 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 301 L C 2.449 179.283 176.870 -0.060 0.000 1.079 301 L CA 1.504 56.314 54.840 -0.050 0.000 0.752 301 L CB -1.203 40.831 42.059 -0.040 0.000 0.906 301 L HN 0.209 nan 8.230 nan 0.000 0.436 302 E N 0.228 120.384 120.200 -0.072 0.000 2.171 302 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 302 E C 2.252 178.799 176.600 -0.089 0.000 0.997 302 E CA 1.119 57.473 56.400 -0.077 0.000 0.810 302 E CB 0.009 29.659 29.700 -0.084 0.000 0.738 302 E HN 0.244 nan 8.360 nan 0.000 0.467 303 L N 0.419 121.573 121.223 -0.115 0.000 2.056 303 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 303 L C 2.175 179.002 176.870 -0.072 0.000 1.078 303 L CA 2.219 56.983 54.840 -0.127 0.000 0.749 303 L CB -0.629 41.315 42.059 -0.193 0.000 0.901 303 L HN 0.172 nan 8.230 nan 0.000 0.433 304 A N -0.410 122.379 122.820 -0.052 0.000 1.970 304 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 304 A C 2.109 179.676 177.584 -0.029 0.000 1.170 304 A CA 1.068 53.088 52.037 -0.028 0.000 0.645 304 A CB -0.626 18.363 19.000 -0.018 0.000 0.816 304 A HN 0.700 nan 8.150 nan 0.000 0.447 305 E N -0.261 119.918 120.200 -0.036 0.000 2.274 305 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 305 E C 1.284 177.864 176.600 -0.033 0.000 0.996 305 E CA 0.996 57.377 56.400 -0.032 0.000 0.840 305 E CB -0.350 29.329 29.700 -0.034 0.000 0.772 305 E HN 0.448 nan 8.360 nan 0.000 0.491 306 N N 1.598 120.271 118.700 -0.045 0.000 2.062 306 N HA -0.076 4.664 4.740 -0.000 0.000 0.191 306 N C 1.834 177.314 175.510 -0.051 0.000 1.042 306 N CA 1.008 54.027 53.050 -0.051 0.000 0.845 306 N CB -0.332 38.115 38.487 -0.067 0.000 1.024 306 N HN 0.181 nan 8.380 nan 0.000 0.424 307 R N 0.726 121.201 120.500 -0.042 0.000 2.154 307 R HA -0.176 4.164 4.340 -0.000 0.000 0.248 307 R C 1.880 178.168 176.300 -0.021 0.000 1.155 307 R CA 1.272 57.353 56.100 -0.031 0.000 0.979 307 R CB -0.095 30.199 30.300 -0.011 0.000 0.869 307 R HN 0.228 nan 8.270 nan 0.000 0.452 308 E N 1.078 121.269 120.200 -0.016 0.000 2.028 308 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 308 E C 1.759 178.363 176.600 0.006 0.000 0.988 308 E CA 1.533 57.929 56.400 -0.006 0.000 0.799 308 E CB -0.172 29.522 29.700 -0.010 0.000 0.755 308 E HN 0.462 nan 8.360 nan 0.000 0.447 309 I N -1.258 119.318 120.570 0.010 0.000 2.756 309 I HA -0.101 4.069 4.170 -0.000 0.000 0.262 309 I C 1.117 177.302 176.117 0.113 0.000 1.225 309 I CA 0.626 61.957 61.300 0.051 0.000 1.472 309 I CB -0.277 37.754 38.000 0.053 0.000 1.094 309 I HN 0.004 nan 8.210 nan 0.000 0.454 310 L N 1.149 122.382 121.223 0.016 0.000 2.611 310 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 310 L C 2.208 179.097 176.870 0.033 0.000 1.137 310 L CA 0.868 55.687 54.840 -0.035 0.000 0.901 310 L CB -0.888 41.042 42.059 -0.215 0.000 1.098 310 L HN 0.235 nan 8.230 nan 0.000 0.456 311 K N 0.873 121.297 120.400 0.040 0.000 1.978 311 K HA -0.128 4.192 4.320 -0.000 0.000 0.214 311 K C 0.078 176.705 176.600 0.046 0.000 1.049 311 K CA 1.313 57.618 56.287 0.030 0.000 0.939 311 K CB 0.133 32.645 32.500 0.020 0.000 0.721 311 K HN 0.334 nan 8.250 nan 0.000 0.441 312 E N 2.014 122.247 120.200 0.056 0.000 2.191 312 E HA 0.244 4.594 4.350 -0.000 0.000 0.278 312 E C -2.324 174.320 176.600 0.074 0.000 0.972 312 E CA -2.467 53.961 56.400 0.047 0.000 0.804 312 E CB 1.367 31.078 29.700 0.018 0.000 1.110 312 E HN 0.290 nan 8.360 nan 0.000 0.394 313 P HA -0.009 nan 4.420 nan 0.000 0.270 313 P C -0.648 176.557 177.300 -0.159 0.000 1.227 313 P CA -0.080 63.033 63.100 0.021 0.000 0.788 313 P CB 0.587 32.296 31.700 0.015 0.000 0.926 314 V N 1.258 120.884 119.914 -0.480 0.000 2.808 314 V HA 0.313 4.433 4.120 -0.000 0.000 0.308 314 V C -0.670 174.946 176.094 -0.795 0.000 1.099 314 V CA -0.596 61.328 62.300 -0.628 0.000 0.920 314 V CB 1.746 33.025 31.823 -0.907 0.000 1.014 314 V HN 0.601 nan 8.190 nan 0.000 0.425 315 H N 1.237 120.034 119.070 -0.455 0.000 2.572 315 H HA 0.730 5.286 4.556 -0.000 0.000 0.359 315 H C 0.457 175.399 175.328 -0.644 0.000 1.134 315 H CA 0.106 55.830 56.048 -0.540 0.000 1.187 315 H CB 1.991 31.512 29.762 -0.402 0.000 1.597 315 H HN 0.929 nan 8.280 nan 0.000 0.524 316 G N 1.010 109.226 108.800 -0.975 0.000 2.504 316 G HA2 0.442 4.401 3.960 -0.000 0.000 0.288 316 G HA3 0.442 4.401 3.960 -0.000 0.000 0.288 316 G C -0.426 174.184 174.900 -0.482 0.000 1.182 316 G CA -0.381 44.233 45.100 -0.810 0.000 0.894 316 G HN 0.450 nan 8.290 nan 0.000 0.521 317 V N -0.087 119.769 119.914 -0.095 0.000 3.234 317 V HA 0.439 4.559 4.120 -0.000 0.000 0.317 317 V C -0.453 175.727 176.094 0.143 0.000 1.081 317 V CA -0.545 61.731 62.300 -0.040 0.000 1.037 317 V CB 1.384 33.224 31.823 0.029 0.000 1.148 317 V HN 0.584 nan 8.190 nan 0.000 0.453 318 Y N -0.378 120.106 120.300 0.308 0.000 2.565 318 Y HA 0.455 5.005 4.550 -0.000 0.000 0.325 318 Y C -0.249 175.829 175.900 0.298 0.000 1.221 318 Y CA -0.943 57.347 58.100 0.318 0.000 1.316 318 Y CB 0.534 39.130 38.460 0.227 0.000 1.404 318 Y HN 0.542 nan 8.280 nan 0.000 0.527 319 Y N 1.334 121.863 120.300 0.382 0.000 2.323 319 Y HA 0.327 4.876 4.550 -0.000 0.000 0.331 319 Y C -0.657 175.324 175.900 0.135 0.000 1.092 319 Y CA -1.220 57.022 58.100 0.236 0.000 1.150 319 Y CB 0.916 39.598 38.460 0.371 0.000 1.200 319 Y HN 0.520 nan 8.280 nan 0.000 0.472 320 D N 8.293 128.352 120.400 -0.568 0.000 2.472 320 D HA 0.307 4.947 4.640 -0.000 0.000 0.234 320 D C -2.208 173.573 176.300 -0.865 0.000 1.088 320 D CA -2.513 51.167 54.000 -0.533 0.000 0.882 320 D CB 1.789 42.445 40.800 -0.240 0.000 1.037 320 D HN 0.357 nan 8.370 nan 0.000 0.520 321 P HA -0.120 nan 4.420 nan 0.000 0.222 321 P C 0.752 177.910 177.300 -0.236 0.000 1.142 321 P CA 0.939 63.719 63.100 -0.533 0.000 0.788 321 P CB 0.142 31.752 31.700 -0.149 0.000 0.767 322 S N -2.198 113.372 115.700 -0.217 0.000 2.552 322 S HA 0.290 4.760 4.470 -0.000 0.000 0.246 322 S C 0.239 174.772 174.600 -0.112 0.000 1.019 322 S CA -0.403 57.727 58.200 -0.116 0.000 1.045 322 S CB -0.653 62.494 63.200 -0.088 0.000 0.784 322 S HN -0.021 nan 8.310 nan 0.000 0.453 323 K N 1.143 121.460 120.400 -0.138 0.000 2.550 323 K HA 0.300 4.620 4.320 -0.000 0.000 0.252 323 K C -1.591 174.959 176.600 -0.084 0.000 0.943 323 K CA -0.716 55.507 56.287 -0.106 0.000 0.806 323 K CB 1.393 33.821 32.500 -0.120 0.000 1.289 323 K HN 0.137 nan 8.250 nan 0.000 0.435 324 D N 1.987 122.344 120.400 -0.072 0.000 2.443 324 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 324 D C 0.027 176.245 176.300 -0.137 0.000 1.172 324 D CA 0.500 54.450 54.000 -0.084 0.000 0.878 324 D CB 0.637 41.385 40.800 -0.085 0.000 1.204 324 D HN 0.255 nan 8.370 nan 0.000 0.453 325 L N 1.604 122.708 121.223 -0.198 0.000 2.325 325 L HA 0.354 4.694 4.340 -0.000 0.000 0.279 325 L C 0.017 176.656 176.870 -0.385 0.000 1.054 325 L CA -0.736 53.900 54.840 -0.340 0.000 0.804 325 L CB 1.058 42.831 42.059 -0.477 0.000 1.200 325 L HN 0.116 nan 8.230 nan 0.000 0.436 326 I N 2.649 122.912 120.570 -0.512 0.000 2.389 326 I HA 0.489 4.659 4.170 -0.000 0.000 0.288 326 I C 0.033 175.730 176.117 -0.700 0.000 0.999 326 I CA -0.427 60.500 61.300 -0.622 0.000 1.129 326 I CB 1.498 39.022 38.000 -0.794 0.000 1.288 326 I HN 0.574 nan 8.210 nan 0.000 0.444 327 A N 6.829 129.281 122.820 -0.613 0.000 2.303 327 A HA 0.683 5.003 4.320 -0.000 0.000 0.320 327 A C -0.156 177.292 177.584 -0.228 0.000 1.192 327 A CA -0.536 51.215 52.037 -0.477 0.000 0.821 327 A CB 0.955 19.502 19.000 -0.756 0.000 1.188 327 A HN 0.800 nan 8.150 nan 0.000 0.492 328 E N 2.748 122.932 120.200 -0.027 0.000 2.256 328 E HA 0.766 5.116 4.350 -0.000 0.000 0.267 328 E C -1.435 175.288 176.600 0.204 0.000 0.892 328 E CA -0.701 55.764 56.400 0.108 0.000 0.775 328 E CB 1.690 31.465 29.700 0.125 0.000 1.207 328 E HN 0.506 nan 8.360 nan 0.000 0.420 329 I N 1.287 121.981 120.570 0.208 0.000 2.689 329 I HA 0.288 4.458 4.170 -0.000 0.000 0.299 329 I C -0.903 175.359 176.117 0.241 0.000 1.059 329 I CA -1.114 60.343 61.300 0.261 0.000 1.055 329 I CB 2.166 40.297 38.000 0.218 0.000 1.243 329 I HN 0.494 nan 8.210 nan 0.000 0.425 330 Q N 3.515 123.473 119.800 0.263 0.000 2.310 330 Q HA 0.328 4.668 4.340 -0.000 0.000 0.270 330 Q C -0.794 175.273 176.000 0.111 0.000 1.025 330 Q CA -0.897 55.004 55.803 0.164 0.000 0.772 330 Q CB 2.163 30.950 28.738 0.083 0.000 1.253 330 Q HN 0.293 nan 8.270 nan 0.000 0.450 331 K N 2.163 122.539 120.400 -0.039 0.000 2.436 331 K HA 0.020 4.340 4.320 -0.000 0.000 0.282 331 K C -0.941 175.460 176.600 -0.331 0.000 1.044 331 K CA 0.403 56.387 56.287 -0.505 0.000 1.028 331 K CB 0.440 32.667 32.500 -0.455 0.000 0.919 331 K HN 0.583 nan 8.250 nan 0.000 0.474 332 Q N 4.336 123.893 119.800 -0.406 0.000 2.414 332 Q HA 0.393 4.733 4.340 -0.000 0.000 0.256 332 Q C -0.217 175.644 176.000 -0.232 0.000 0.974 332 Q CA -0.000 55.670 55.803 -0.222 0.000 0.723 332 Q CB 0.790 29.458 28.738 -0.117 0.000 1.281 332 Q HN 0.971 nan 8.270 nan 0.000 0.470 333 G N 2.678 111.367 108.800 -0.185 0.000 2.692 333 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 333 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 333 G C -0.760 174.026 174.900 -0.190 0.000 1.340 333 G CA -0.529 44.483 45.100 -0.148 0.000 0.896 333 G HN 0.604 nan 8.290 nan 0.000 0.570 334 Q N 0.983 120.708 119.800 -0.124 0.000 2.296 334 Q HA 0.473 4.813 4.340 -0.000 0.000 0.257 334 Q C 1.322 177.288 176.000 -0.057 0.000 0.942 334 Q CA 0.791 56.535 55.803 -0.098 0.000 0.939 334 Q CB 0.808 29.506 28.738 -0.067 0.000 1.198 334 Q HN 2.343 nan 8.270 nan 0.000 0.429 335 G N 2.774 111.568 108.800 -0.010 0.000 2.304 335 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.252 335 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.252 335 G C 0.174 175.179 174.900 0.175 0.000 1.014 335 G CA -0.001 45.183 45.100 0.139 0.000 0.619 335 G HN 0.492 nan 8.290 nan 0.000 0.525 336 Q N -0.363 119.403 119.800 -0.057 0.000 2.261 336 Q HA 0.623 4.963 4.340 -0.000 0.000 0.252 336 Q C -0.503 175.352 176.000 -0.242 0.000 0.915 336 Q CA -0.067 55.724 55.803 -0.019 0.000 0.915 336 Q CB 1.076 29.782 28.738 -0.054 0.000 1.204 336 Q HN 0.518 nan 8.270 nan 0.000 0.421 337 W N 0.025 121.432 121.300 0.179 0.000 3.031 337 W HA 0.580 5.239 4.660 -0.000 0.000 0.337 337 W C -0.085 176.550 176.519 0.194 0.000 1.187 337 W CA -0.541 56.908 57.345 0.174 0.000 1.166 337 W CB 1.967 31.535 29.460 0.180 0.000 1.437 337 W HN 0.352 nan 8.180 nan 0.000 0.551 338 T N 1.196 115.995 114.554 0.410 0.000 2.883 338 T HA 0.697 5.047 4.350 -0.000 0.000 0.301 338 T C -1.887 173.021 174.700 0.348 0.000 1.158 338 T CA -0.526 61.739 62.100 0.274 0.000 1.007 338 T CB 1.018 69.951 68.868 0.109 0.000 1.186 338 T HN 0.382 nan 8.240 nan 0.000 0.499 339 Y N 0.449 120.839 120.300 0.150 0.000 2.624 339 Y HA 0.826 5.376 4.550 -0.000 0.000 0.334 339 Y C -1.482 174.485 175.900 0.111 0.000 1.155 339 Y CA -1.243 56.936 58.100 0.131 0.000 1.046 339 Y CB 1.066 39.608 38.460 0.137 0.000 1.316 339 Y HN 0.477 nan 8.280 nan 0.000 0.457 340 Q N 2.007 121.940 119.800 0.221 0.000 2.451 340 Q HA 0.766 5.106 4.340 -0.000 0.000 0.281 340 Q C -1.521 174.580 176.000 0.169 0.000 1.099 340 Q CA -0.706 55.191 55.803 0.157 0.000 0.806 340 Q CB 3.369 32.215 28.738 0.181 0.000 1.419 340 Q HN 0.744 nan 8.270 nan 0.000 0.427 341 I N 2.402 123.056 120.570 0.141 0.000 2.478 341 I HA 0.521 4.691 4.170 -0.000 0.000 0.287 341 I C -1.377 174.742 176.117 0.003 0.000 1.042 341 I CA -0.987 60.296 61.300 -0.028 0.000 1.067 341 I CB 0.960 38.984 38.000 0.040 0.000 1.233 341 I HN 0.656 nan 8.210 nan 0.000 0.431 342 Y N 3.439 123.697 120.300 -0.071 0.000 2.689 342 Y HA 0.549 5.099 4.550 -0.000 0.000 0.333 342 Y C -0.162 175.662 175.900 -0.128 0.000 1.190 342 Y CA -0.906 57.154 58.100 -0.067 0.000 1.063 342 Y CB 1.129 39.578 38.460 -0.018 0.000 1.294 342 Y HN 0.447 nan 8.280 nan 0.000 0.466 343 Q N -0.091 119.840 119.800 0.219 0.000 2.532 343 Q HA 0.151 4.491 4.340 -0.000 0.000 0.247 343 Q C -0.540 175.538 176.000 0.131 0.000 0.872 343 Q CA 0.132 55.986 55.803 0.085 0.000 0.963 343 Q CB 1.320 30.049 28.738 -0.016 0.000 1.159 343 Q HN 0.756 nan 8.270 nan 0.000 0.598 344 E N 2.274 122.521 120.200 0.078 0.000 2.133 344 E HA 0.246 4.596 4.350 -0.000 0.000 0.274 344 E C -2.527 173.880 176.600 -0.321 0.000 0.930 344 E CA -2.575 53.778 56.400 -0.077 0.000 0.770 344 E CB 1.276 30.923 29.700 -0.088 0.000 1.104 344 E HN -0.205 nan 8.360 nan 0.000 0.403 345 P HA -0.148 nan 4.420 nan 0.000 0.248 345 P C -0.729 175.882 177.300 -1.147 0.000 1.127 345 P CA 1.221 63.539 63.100 -1.303 0.000 0.801 345 P CB -0.395 30.649 31.700 -1.095 0.000 0.732 346 F N -0.130 119.188 119.950 -1.054 0.000 2.544 346 F HA -0.240 4.287 4.527 -0.000 0.000 0.389 346 F C 0.837 176.472 175.800 -0.275 0.000 0.588 346 F CA 0.096 57.789 58.000 -0.511 0.000 1.461 346 F CB -1.197 37.611 39.000 -0.321 0.000 1.995 346 F HN 0.272 nan 8.300 nan 0.000 0.282 347 K N 2.351 122.681 120.400 -0.116 0.000 2.184 347 K HA 0.199 4.519 4.320 -0.000 0.000 0.259 347 K C 0.013 176.645 176.600 0.053 0.000 1.119 347 K CA -0.398 55.869 56.287 -0.033 0.000 0.991 347 K CB 0.227 32.698 32.500 -0.048 0.000 1.522 347 K HN 0.035 nan 8.250 nan 0.000 0.405 348 N N 2.164 120.904 118.700 0.067 0.000 2.492 348 N HA -0.002 4.738 4.740 -0.000 0.000 0.260 348 N C 0.894 176.490 175.510 0.142 0.000 1.215 348 N CA 0.018 53.151 53.050 0.138 0.000 0.923 348 N CB 0.783 39.319 38.487 0.082 0.000 1.092 348 N HN 0.275 nan 8.380 nan 0.000 0.448 349 L N 1.188 122.551 121.223 0.234 0.000 2.145 349 L HA 0.138 4.478 4.340 -0.000 0.000 0.201 349 L C 0.888 178.093 176.870 0.558 0.000 1.075 349 L CA 1.277 56.352 54.840 0.391 0.000 0.773 349 L CB -0.217 42.075 42.059 0.389 0.000 0.936 349 L HN 0.656 nan 8.230 nan 0.000 0.451 350 K N -2.383 118.279 120.400 0.437 0.000 2.551 350 K HA 0.515 4.835 4.320 -0.000 0.000 0.269 350 K C -1.144 175.584 176.600 0.214 0.000 0.949 350 K CA -0.628 55.920 56.287 0.435 0.000 0.849 350 K CB 1.872 34.629 32.500 0.429 0.000 1.411 350 K HN -0.293 nan 8.250 nan 0.000 0.432 351 T N -0.017 114.602 114.554 0.108 0.000 2.942 351 T HA 0.852 5.202 4.350 -0.000 0.000 0.289 351 T C -0.752 173.787 174.700 -0.269 0.000 1.044 351 T CA -0.090 61.953 62.100 -0.096 0.000 1.023 351 T CB 1.651 70.474 68.868 -0.075 0.000 1.123 351 T HN 0.862 nan 8.240 nan 0.000 0.512 352 G N 1.004 109.392 108.800 -0.687 0.000 2.506 352 G HA2 0.644 4.604 3.960 -0.000 0.000 0.292 352 G HA3 0.644 4.604 3.960 -0.000 0.000 0.292 352 G C -2.114 172.426 174.900 -0.600 0.000 1.425 352 G CA -0.938 43.744 45.100 -0.697 0.000 0.788 352 G HN 0.800 nan 8.290 nan 0.000 0.490 353 K N -1.363 119.029 120.400 -0.014 0.000 2.533 353 K HA 0.736 5.056 4.320 -0.000 0.000 0.272 353 K C -2.106 174.754 176.600 0.434 0.000 0.985 353 K CA -1.207 55.223 56.287 0.239 0.000 0.876 353 K CB 2.761 35.340 32.500 0.131 0.000 1.452 353 K HN 0.801 nan 8.250 nan 0.000 0.439 354 Y N 0.210 120.698 120.300 0.313 0.000 2.361 354 Y HA 0.595 5.144 4.550 -0.000 0.000 0.328 354 Y C -1.992 174.069 175.900 0.268 0.000 1.044 354 Y CA -0.499 57.752 58.100 0.252 0.000 1.085 354 Y CB 2.166 40.745 38.460 0.199 0.000 1.194 354 Y HN 0.901 nan 8.280 nan 0.000 0.438 355 A N 7.445 130.167 122.820 -0.163 0.000 2.679 355 A HA 0.792 5.112 4.320 -0.000 0.000 0.288 355 A C -1.235 176.210 177.584 -0.232 0.000 1.160 355 A CA -0.683 51.323 52.037 -0.052 0.000 0.763 355 A CB 0.650 19.676 19.000 0.044 0.000 1.270 355 A HN 0.707 nan 8.150 nan 0.000 0.417 356 R N 0.883 121.210 120.500 -0.289 0.000 3.132 356 R HA 0.749 5.089 4.340 -0.000 0.000 0.257 356 R C -0.284 176.000 176.300 -0.026 0.000 1.203 356 R CA -0.461 55.523 56.100 -0.194 0.000 1.008 356 R CB 0.496 30.605 30.300 -0.318 0.000 1.378 356 R HN 0.658 nan 8.270 nan 0.000 0.448 357 M N -1.176 118.419 119.600 -0.009 0.000 1.836 357 M HA 0.321 4.801 4.480 -0.000 0.000 0.176 357 M C 0.640 176.962 176.300 0.037 0.000 1.652 357 M CA -0.074 55.246 55.300 0.034 0.000 0.869 357 M CB 0.072 32.680 32.600 0.014 0.000 1.562 357 M HN 0.452 nan 8.290 nan 0.000 0.606 358 R N 0.498 121.008 120.500 0.016 0.000 4.070 358 R HA -0.130 4.210 4.340 -0.000 0.000 0.439 358 R C 0.074 176.389 176.300 0.025 0.000 0.831 358 R CA 1.638 57.752 56.100 0.023 0.000 1.684 358 R CB -1.801 28.522 30.300 0.038 0.000 2.331 358 R HN 0.742 nan 8.270 nan 0.000 0.477 359 G N -2.629 106.186 108.800 0.025 0.000 2.453 359 G HA2 0.633 4.593 3.960 -0.000 0.000 0.323 359 G HA3 0.633 4.593 3.960 -0.000 0.000 0.323 359 G C 0.634 175.499 174.900 -0.058 0.000 1.198 359 G CA -0.169 44.939 45.100 0.014 0.000 0.959 359 G HN 0.265 nan 8.290 nan 0.000 0.482 360 A N 0.668 123.390 122.820 -0.162 0.000 1.897 360 A HA 0.217 4.537 4.320 -0.000 0.000 0.215 360 A C 0.815 178.057 177.584 -0.570 0.000 1.181 360 A CA 1.004 52.772 52.037 -0.449 0.000 0.620 360 A CB -0.371 18.203 19.000 -0.710 0.000 0.821 360 A HN 0.742 nan 8.150 nan 0.000 0.443 361 H N -2.386 116.731 119.070 0.078 0.000 2.667 361 H HA 0.663 5.219 4.556 -0.000 0.000 0.353 361 H C -0.611 174.765 175.328 0.080 0.000 1.072 361 H CA -0.057 56.034 56.048 0.071 0.000 1.214 361 H CB 1.890 31.695 29.762 0.070 0.000 1.600 361 H HN 0.131 nan 8.280 nan 0.000 0.527 362 T N 1.860 116.511 114.554 0.162 0.000 2.802 362 T HA 0.406 4.756 4.350 -0.000 0.000 0.311 362 T C -1.687 173.040 174.700 0.045 0.000 1.405 362 T CA -1.027 61.128 62.100 0.092 0.000 1.016 362 T CB 1.117 70.029 68.868 0.074 0.000 1.352 362 T HN 0.886 nan 8.240 nan 0.000 0.498 363 N N 1.099 119.774 118.700 -0.042 0.000 2.235 363 N HA 0.389 5.129 4.740 -0.000 0.000 0.293 363 N C 0.232 175.671 175.510 -0.119 0.000 1.083 363 N CA -0.687 52.312 53.050 -0.086 0.000 0.801 363 N CB 1.109 39.487 38.487 -0.181 0.000 1.559 363 N HN 0.377 nan 8.380 nan 0.000 0.472 364 D N 0.696 121.117 120.400 0.036 0.000 2.242 364 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 364 D C 1.570 177.823 176.300 -0.079 0.000 1.012 364 D CA 1.585 55.680 54.000 0.158 0.000 0.875 364 D CB -0.208 40.762 40.800 0.284 0.000 0.922 364 D HN 0.433 nan 8.370 nan 0.000 0.448 365 V N 0.475 120.200 119.914 -0.315 0.000 2.392 365 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 365 V C 2.333 178.100 176.094 -0.545 0.000 1.059 365 V CA 1.725 63.720 62.300 -0.509 0.000 1.051 365 V CB -0.362 30.886 31.823 -0.958 0.000 0.658 365 V HN 0.211 nan 8.190 nan 0.000 0.455 366 K N -0.463 119.593 120.400 -0.574 0.000 2.031 366 K HA -0.151 4.168 4.320 -0.000 0.000 0.205 366 K C 2.359 178.786 176.600 -0.290 0.000 1.049 366 K CA 1.350 57.426 56.287 -0.352 0.000 0.939 366 K CB -0.220 32.134 32.500 -0.243 0.000 0.717 366 K HN 0.494 nan 8.250 nan 0.000 0.438 367 Q N 0.592 120.224 119.800 -0.279 0.000 2.061 367 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 367 Q C 2.114 177.593 176.000 -0.868 0.000 0.984 367 Q CA 1.074 56.637 55.803 -0.400 0.000 0.846 367 Q CB -0.204 28.469 28.738 -0.109 0.000 0.902 367 Q HN 0.257 nan 8.270 nan 0.000 0.421 368 L N 0.890 121.540 121.223 -0.955 0.000 2.051 368 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 368 L C 1.978 178.399 176.870 -0.749 0.000 1.076 368 L CA 2.151 56.351 54.840 -1.067 0.000 0.758 368 L CB -1.185 40.489 42.059 -0.641 0.000 0.890 368 L HN 0.329 nan 8.230 nan 0.000 0.433 369 T N -0.443 113.825 114.554 -0.476 0.000 2.821 369 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 369 T C 1.686 176.151 174.700 -0.391 0.000 1.046 369 T CA 1.423 63.326 62.100 -0.329 0.000 1.139 369 T CB -0.123 68.732 68.868 -0.021 0.000 0.871 369 T HN 0.460 nan 8.240 nan 0.000 0.454 370 E N 1.281 121.226 120.200 -0.426 0.000 2.077 370 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 370 E C 2.621 178.857 176.600 -0.607 0.000 0.989 370 E CA 0.982 57.138 56.400 -0.406 0.000 0.800 370 E CB -0.262 29.240 29.700 -0.330 0.000 0.746 370 E HN 0.494 nan 8.360 nan 0.000 0.452 371 A N 1.118 123.371 122.820 -0.945 0.000 1.865 371 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 371 A C 2.546 179.786 177.584 -0.573 0.000 1.191 371 A CA 1.366 52.858 52.037 -0.908 0.000 0.623 371 A CB -0.932 17.497 19.000 -0.951 0.000 0.826 371 A HN 0.135 nan 8.150 nan 0.000 0.444 372 V N -0.126 119.413 119.914 -0.626 0.000 2.380 372 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 372 V C 2.805 178.624 176.094 -0.459 0.000 1.063 372 V CA 2.578 64.447 62.300 -0.719 0.000 1.055 372 V CB -0.695 30.511 31.823 -1.027 0.000 0.657 372 V HN 0.700 nan 8.190 nan 0.000 0.455 373 Q N 0.508 120.094 119.800 -0.356 0.000 2.020 373 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 373 Q C 2.297 178.227 176.000 -0.116 0.000 0.982 373 Q CA 2.266 57.954 55.803 -0.191 0.000 0.838 373 Q CB -0.508 28.144 28.738 -0.143 0.000 0.899 373 Q HN 0.652 nan 8.270 nan 0.000 0.423 374 K N -0.052 120.269 120.400 -0.132 0.000 2.032 374 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 374 K C 2.028 178.586 176.600 -0.069 0.000 1.048 374 K CA 1.725 57.981 56.287 -0.052 0.000 0.927 374 K CB -0.415 32.098 32.500 0.022 0.000 0.712 374 K HN 0.327 nan 8.250 nan 0.000 0.441 375 I N 1.281 121.759 120.570 -0.155 0.000 2.208 375 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 375 I C 2.271 178.415 176.117 0.045 0.000 1.097 375 I CA 1.607 62.828 61.300 -0.131 0.000 1.363 375 I CB -0.590 37.310 38.000 -0.167 0.000 1.051 375 I HN 0.298 nan 8.210 nan 0.000 0.413 376 T N -0.498 114.109 114.554 0.089 0.000 2.720 376 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 376 T C 1.986 176.730 174.700 0.074 0.000 1.037 376 T CA 2.242 64.418 62.100 0.125 0.000 1.144 376 T CB -0.366 68.551 68.868 0.081 0.000 0.864 376 T HN 0.493 nan 8.240 nan 0.000 0.444 377 T N 0.575 115.151 114.554 0.037 0.000 3.014 377 T HA 0.012 4.362 4.350 -0.000 0.000 0.263 377 T C 1.838 176.544 174.700 0.010 0.000 1.078 377 T CA 1.363 63.480 62.100 0.029 0.000 1.135 377 T CB -0.143 68.740 68.868 0.025 0.000 0.895 377 T HN 0.561 nan 8.240 nan 0.000 0.480 378 E N 0.169 120.371 120.200 0.002 0.000 2.106 378 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 378 E C 2.265 178.825 176.600 -0.067 0.000 0.984 378 E CA 1.152 57.531 56.400 -0.036 0.000 0.806 378 E CB -0.390 29.300 29.700 -0.016 0.000 0.750 378 E HN 0.522 nan 8.360 nan 0.000 0.458 379 S N -0.090 115.641 115.700 0.051 0.000 2.402 379 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 379 S C 1.932 176.603 174.600 0.120 0.000 1.021 379 S CA 0.654 58.978 58.200 0.206 0.000 0.974 379 S CB -0.128 63.225 63.200 0.255 0.000 0.800 379 S HN 0.295 nan 8.310 nan 0.000 0.484 380 I N 1.460 122.063 120.570 0.057 0.000 2.113 380 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 380 I C 2.572 178.674 176.117 -0.025 0.000 1.070 380 I CA 1.326 62.648 61.300 0.038 0.000 1.332 380 I CB -1.578 36.447 38.000 0.042 0.000 1.044 380 I HN 0.324 nan 8.210 nan 0.000 0.402 381 V N 1.174 121.052 119.914 -0.060 0.000 2.568 381 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 381 V C 2.117 178.099 176.094 -0.187 0.000 1.072 381 V CA 1.760 64.006 62.300 -0.090 0.000 1.084 381 V CB -0.203 31.575 31.823 -0.074 0.000 0.676 381 V HN 0.312 nan 8.190 nan 0.000 0.469 382 I N -1.904 118.461 120.570 -0.340 0.000 2.556 382 I HA 0.040 4.210 4.170 -0.000 0.000 0.251 382 I C 2.043 177.738 176.117 -0.704 0.000 1.105 382 I CA 0.974 61.876 61.300 -0.664 0.000 1.436 382 I CB -0.173 37.101 38.000 -1.211 0.000 1.139 382 I HN 0.347 nan 8.210 nan 0.000 0.438 383 W N 0.333 121.487 121.300 -0.243 0.000 2.975 383 W HA 0.356 5.016 4.660 -0.000 0.000 0.316 383 W C 1.535 177.931 176.519 -0.206 0.000 1.131 383 W CA 0.684 57.790 57.345 -0.398 0.000 1.624 383 W CB -0.138 28.972 29.460 -0.584 0.000 1.038 383 W HN 0.318 nan 8.180 nan 0.000 0.571 384 G N 2.149 110.980 108.800 0.052 0.000 2.168 384 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 384 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 384 G C 0.295 175.249 174.900 0.091 0.000 0.977 384 G CA 1.256 46.393 45.100 0.061 0.000 0.659 384 G HN 0.377 nan 8.290 nan 0.000 0.533 385 K N -1.492 118.978 120.400 0.116 0.000 2.469 385 K HA 0.747 5.067 4.320 -0.000 0.000 0.268 385 K C -1.021 175.637 176.600 0.097 0.000 1.027 385 K CA -0.498 55.851 56.287 0.103 0.000 0.893 385 K CB 1.402 33.966 32.500 0.106 0.000 1.460 385 K HN 0.081 nan 8.250 nan 0.000 0.449 386 T N 2.001 116.599 114.554 0.073 0.000 2.867 386 T HA 0.493 4.843 4.350 -0.000 0.000 0.282 386 T C -2.449 172.236 174.700 -0.024 0.000 1.000 386 T CA -1.875 60.261 62.100 0.060 0.000 1.042 386 T CB 1.155 70.083 68.868 0.099 0.000 0.973 386 T HN 0.523 nan 8.240 nan 0.000 0.465 387 P HA 0.401 nan 4.420 nan 0.000 0.278 387 P C -1.061 176.039 177.300 -0.335 0.000 1.266 387 P CA -0.743 62.161 63.100 -0.327 0.000 0.807 387 P CB 0.675 32.033 31.700 -0.569 0.000 1.094 388 K N 1.113 121.302 120.400 -0.352 0.000 2.183 388 K HA 0.418 4.738 4.320 -0.000 0.000 0.274 388 K C -0.288 176.112 176.600 -0.333 0.000 1.009 388 K CA -0.343 55.813 56.287 -0.218 0.000 0.888 388 K CB 0.499 32.913 32.500 -0.144 0.000 1.078 388 K HN 0.384 nan 8.250 nan 0.000 0.459 389 F N 1.337 121.253 119.950 -0.056 0.000 2.399 389 F HA 0.332 4.858 4.527 -0.000 0.000 0.328 389 F C 0.725 176.529 175.800 0.006 0.000 1.084 389 F CA -0.395 57.576 58.000 -0.049 0.000 1.053 389 F CB 1.304 40.257 39.000 -0.078 0.000 1.209 389 F HN 0.126 nan 8.300 nan 0.000 0.502 390 K N 4.013 124.528 120.400 0.192 0.000 2.604 390 K HA 0.520 4.840 4.320 -0.000 0.000 0.247 390 K C -1.451 175.244 176.600 0.157 0.000 0.956 390 K CA -0.365 56.009 56.287 0.146 0.000 0.896 390 K CB 1.451 33.987 32.500 0.061 0.000 1.131 390 K HN 0.460 nan 8.250 nan 0.000 0.440 391 L N 3.218 124.561 121.223 0.200 0.000 2.334 391 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 391 L C -2.090 174.873 176.870 0.155 0.000 1.013 391 L CA -2.467 52.444 54.840 0.119 0.000 0.816 391 L CB 1.595 43.603 42.059 -0.085 0.000 1.278 391 L HN 0.333 nan 8.230 nan 0.000 0.431 392 P HA 0.251 nan 4.420 nan 0.000 0.220 392 P C -0.630 176.845 177.300 0.291 0.000 1.778 392 P CA 0.456 63.666 63.100 0.184 0.000 0.912 392 P CB -0.066 31.729 31.700 0.159 0.000 1.861 393 I N -0.421 120.392 120.570 0.404 0.000 2.656 393 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 393 I C -0.584 175.816 176.117 0.473 0.000 1.144 393 I CA -1.028 60.478 61.300 0.343 0.000 1.038 393 I CB 2.311 40.395 38.000 0.141 0.000 1.244 393 I HN -0.221 nan 8.210 nan 0.000 0.420 394 Q N 5.928 125.806 119.800 0.129 0.000 2.330 394 Q HA -0.010 4.330 4.340 -0.000 0.000 0.279 394 Q C 0.789 176.913 176.000 0.206 0.000 1.024 394 Q CA 0.144 55.866 55.803 -0.135 0.000 0.900 394 Q CB 1.019 29.613 28.738 -0.239 0.000 1.221 394 Q HN 0.677 nan 8.270 nan 0.000 0.396 395 K N 1.825 122.306 120.400 0.134 0.000 2.209 395 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 395 K C 0.719 177.474 176.600 0.258 0.000 1.048 395 K CA 1.661 58.101 56.287 0.255 0.000 0.940 395 K CB 0.182 32.546 32.500 -0.226 0.000 0.729 395 K HN 0.352 nan 8.250 nan 0.000 0.451 396 E N 0.917 121.173 120.200 0.094 0.000 2.028 396 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 396 E C 2.120 178.795 176.600 0.125 0.000 0.988 396 E CA 1.888 58.332 56.400 0.073 0.000 0.799 396 E CB -0.606 29.093 29.700 -0.002 0.000 0.755 396 E HN 0.457 nan 8.360 nan 0.000 0.447 397 T N -0.164 114.458 114.554 0.114 0.000 3.025 397 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 397 T C 1.182 176.008 174.700 0.209 0.000 1.126 397 T CA 1.015 63.184 62.100 0.115 0.000 1.105 397 T CB -0.262 68.637 68.868 0.052 0.000 0.884 397 T HN 0.464 nan 8.240 nan 0.000 0.522 398 W N 0.738 122.104 121.300 0.110 0.000 2.574 398 W HA 0.101 4.761 4.660 -0.000 0.000 0.282 398 W C 1.578 178.232 176.519 0.225 0.000 1.197 398 W CA 0.445 57.872 57.345 0.136 0.000 1.376 398 W CB 0.092 29.628 29.460 0.127 0.000 1.091 398 W HN 0.223 nan 8.180 nan 0.000 0.569 399 E N 0.605 120.915 120.200 0.184 0.000 2.072 399 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 399 E C 2.008 178.674 176.600 0.111 0.000 0.985 399 E CA 1.857 58.254 56.400 -0.005 0.000 0.801 399 E CB -0.870 28.808 29.700 -0.037 0.000 0.750 399 E HN 0.157 nan 8.360 nan 0.000 0.452 400 T N 1.716 116.338 114.554 0.113 0.000 2.555 400 T HA -0.206 4.144 4.350 -0.000 0.000 0.264 400 T C 1.341 176.110 174.700 0.116 0.000 1.083 400 T CA 1.635 63.803 62.100 0.112 0.000 1.179 400 T CB -0.517 68.411 68.868 0.099 0.000 0.863 400 T HN 0.429 nan 8.240 nan 0.000 0.412 401 W N 1.371 122.616 121.300 -0.092 0.000 2.317 401 W HA -0.203 4.457 4.660 -0.000 0.000 0.318 401 W C 2.323 178.731 176.519 -0.185 0.000 1.227 401 W CA 1.735 58.970 57.345 -0.183 0.000 1.269 401 W CB -0.861 28.421 29.460 -0.297 0.000 1.155 401 W HN 0.489 nan 8.180 nan 0.000 0.484 402 W N 2.180 123.266 121.300 -0.357 0.000 2.277 402 W HA -0.322 4.338 4.660 -0.000 0.000 0.327 402 W C 1.823 178.172 176.519 -0.284 0.000 1.284 402 W CA 3.310 60.386 57.345 -0.448 0.000 1.277 402 W CB -1.266 27.888 29.460 -0.509 0.000 1.141 402 W HN -0.127 nan 8.180 nan 0.000 0.482 403 T N 1.085 115.781 114.554 0.237 0.000 2.812 403 T HA -0.178 4.172 4.350 -0.000 0.000 0.264 403 T C 1.521 176.158 174.700 -0.105 0.000 1.042 403 T CA 2.039 64.208 62.100 0.114 0.000 1.140 403 T CB -0.296 68.747 68.868 0.291 0.000 0.870 403 T HN 0.080 nan 8.240 nan 0.000 0.445 404 E N -0.212 119.911 120.200 -0.128 0.000 2.208 404 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 404 E C 0.369 176.828 176.600 -0.236 0.000 0.988 404 E CA 0.133 56.443 56.400 -0.150 0.000 0.828 404 E CB -0.067 29.566 29.700 -0.113 0.000 0.763 404 E HN 0.593 nan 8.360 nan 0.000 0.478 405 Y N 0.211 120.117 120.300 -0.657 0.000 2.550 405 Y HA -0.122 4.428 4.550 -0.000 0.000 0.343 405 Y C 0.932 176.516 175.900 -0.528 0.000 1.245 405 Y CA -0.348 57.235 58.100 -0.861 0.000 1.462 405 Y CB 0.443 38.088 38.460 -1.358 0.000 1.340 405 Y HN 0.205 nan 8.280 nan 0.000 0.604 406 W N 3.292 124.052 121.300 -0.900 0.000 3.197 406 W HA 0.149 4.809 4.660 -0.000 0.000 0.274 406 W C -0.327 175.794 176.519 -0.662 0.000 1.297 406 W CA -0.094 56.859 57.345 -0.653 0.000 1.662 406 W CB -0.178 28.979 29.460 -0.505 0.000 1.106 406 W HN 0.488 nan 8.180 nan 0.000 0.663 407 Q N 1.701 120.764 119.800 -1.229 0.000 2.235 407 Q HA 0.556 4.896 4.340 -0.000 0.000 0.256 407 Q C -0.347 175.419 176.000 -0.390 0.000 0.951 407 Q CA -0.383 55.018 55.803 -0.670 0.000 0.890 407 Q CB 2.212 30.465 28.738 -0.808 0.000 1.279 407 Q HN 0.007 nan 8.270 nan 0.000 0.444 408 A N 2.211 124.895 122.820 -0.226 0.000 2.351 408 A HA 0.625 4.945 4.320 -0.000 0.000 0.257 408 A C -0.561 176.953 177.584 -0.117 0.000 1.087 408 A CA 0.091 52.010 52.037 -0.196 0.000 0.798 408 A CB 0.727 19.652 19.000 -0.126 0.000 1.033 408 A HN 0.809 nan 8.150 nan 0.000 0.488 409 T N 0.487 114.974 114.554 -0.111 0.000 2.792 409 T HA 0.638 4.987 4.350 -0.000 0.000 0.303 409 T C -1.275 173.605 174.700 0.300 0.000 1.310 409 T CA -0.402 61.743 62.100 0.075 0.000 1.007 409 T CB 1.442 70.368 68.868 0.098 0.000 1.335 409 T HN 1.022 nan 8.240 nan 0.000 0.504 410 W N 2.521 123.927 121.300 0.177 0.000 2.861 410 W HA 0.369 5.029 4.660 -0.000 0.000 0.302 410 W C -2.249 174.392 176.519 0.204 0.000 1.068 410 W CA -0.758 56.757 57.345 0.284 0.000 1.161 410 W CB 0.280 29.857 29.460 0.194 0.000 0.981 410 W HN 0.607 nan 8.180 nan 0.000 0.322 411 I N 6.999 127.336 120.570 -0.388 0.000 2.575 411 I HA 0.120 4.290 4.170 -0.000 0.000 0.285 411 I C -1.305 174.251 176.117 -0.935 0.000 1.085 411 I CA -1.388 59.526 61.300 -0.643 0.000 1.403 411 I CB 0.687 38.209 38.000 -0.797 0.000 1.409 411 I HN 0.123 nan 8.210 nan 0.000 0.557 412 P HA -0.053 nan 4.420 nan 0.000 0.273 412 P C -0.468 176.775 177.300 -0.094 0.000 1.258 412 P CA -0.429 62.546 63.100 -0.208 0.000 0.802 412 P CB 0.313 32.062 31.700 0.081 0.000 1.040 413 E N 0.917 121.141 120.200 0.040 0.000 2.585 413 E HA -0.017 4.333 4.350 -0.000 0.000 0.252 413 E C -0.683 176.023 176.600 0.176 0.000 0.981 413 E CA 0.027 56.467 56.400 0.067 0.000 0.943 413 E CB 0.091 29.818 29.700 0.045 0.000 0.923 413 E HN 0.348 nan 8.360 nan 0.000 0.486 414 W N 3.624 124.844 121.300 -0.133 0.000 3.165 414 W HA 0.609 5.269 4.660 0.000 0.000 0.351 414 W C -1.241 175.219 176.519 -0.098 0.000 1.164 414 W CA -1.058 56.225 57.345 -0.105 0.000 1.074 414 W CB 0.305 29.634 29.460 -0.220 0.000 1.499 414 W HN 0.594 nan 8.180 nan 0.000 0.600 415 E N 0.462 120.609 120.200 -0.089 0.000 2.388 415 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 415 E C -2.195 174.401 176.600 -0.006 0.000 1.046 415 E CA -0.760 55.450 56.400 -0.317 0.000 0.825 415 E CB 2.222 31.811 29.700 -0.185 0.000 1.243 415 E HN 0.238 nan 8.360 nan 0.000 0.438 416 F N 2.458 122.294 119.950 -0.190 0.000 2.506 416 F HA 0.480 5.007 4.527 -0.000 0.000 0.351 416 F C -0.999 174.823 175.800 0.036 0.000 1.136 416 F CA 0.220 58.226 58.000 0.009 0.000 1.298 416 F CB 1.139 40.120 39.000 -0.031 0.000 1.145 416 F HN 0.288 nan 8.300 nan 0.000 0.593 417 V N 5.664 124.974 119.914 -1.007 0.000 2.711 417 V HA 0.149 4.269 4.120 -0.000 0.000 0.304 417 V C -0.613 174.861 176.094 -1.035 0.000 1.097 417 V CA -1.122 60.658 62.300 -0.866 0.000 0.906 417 V CB 1.896 33.548 31.823 -0.285 0.000 1.015 417 V HN 0.772 nan 8.190 nan 0.000 0.427 418 N N 2.690 120.915 118.700 -0.793 0.000 3.245 418 N HA 0.132 4.872 4.740 -0.000 0.000 0.296 418 N C 0.156 175.597 175.510 -0.114 0.000 1.254 418 N CA -0.111 52.736 53.050 -0.338 0.000 1.190 418 N CB 0.319 38.787 38.487 -0.031 0.000 1.460 418 N HN 0.791 nan 8.380 nan 0.000 0.538 419 T N -0.061 114.436 114.554 -0.096 0.000 3.145 419 T HA 0.381 4.731 4.350 -0.000 0.000 0.362 419 T C -2.470 172.233 174.700 0.005 0.000 1.340 419 T CA -2.131 59.950 62.100 -0.032 0.000 1.069 419 T CB 0.843 69.696 68.868 -0.025 0.000 1.129 419 T HN 0.082 nan 8.240 nan 0.000 0.585 420 P HA 0.175 nan 4.420 nan 0.000 0.267 420 P C -2.068 175.236 177.300 0.006 0.000 1.201 420 P CA -0.832 62.284 63.100 0.025 0.000 0.775 420 P CB -0.181 31.532 31.700 0.022 0.000 0.854 421 P HA 0.211 nan 4.420 nan 0.000 0.278 421 P C -0.732 176.594 177.300 0.043 0.000 1.238 421 P CA -0.041 63.071 63.100 0.019 0.000 0.794 421 P CB 0.738 32.446 31.700 0.014 0.000 0.955 422 L N 1.511 122.767 121.223 0.056 0.000 2.357 422 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 422 L C 0.462 177.372 176.870 0.067 0.000 1.080 422 L CA -1.260 53.636 54.840 0.093 0.000 0.803 422 L CB 1.227 43.352 42.059 0.111 0.000 1.174 422 L HN 0.111 nan 8.230 nan 0.000 0.443 423 V N 3.458 123.440 119.914 0.113 0.000 2.530 423 V HA 0.320 4.440 4.120 -0.000 0.000 0.282 423 V C 0.197 176.287 176.094 -0.007 0.000 1.048 423 V CA -0.152 62.208 62.300 0.100 0.000 0.997 423 V CB 1.002 32.920 31.823 0.159 0.000 0.987 423 V HN 0.791 nan 8.190 nan 0.000 0.477 424 K N 4.749 125.089 120.400 -0.100 0.000 2.575 424 K HA 0.396 4.716 4.320 -0.000 0.000 0.279 424 K C -1.876 174.573 176.600 -0.251 0.000 0.969 424 K CA -0.902 55.265 56.287 -0.199 0.000 0.868 424 K CB 1.510 33.837 32.500 -0.288 0.000 1.457 424 K HN 0.269 nan 8.250 nan 0.000 0.426 425 L N 1.621 122.725 121.223 -0.198 0.000 2.416 425 L HA 0.173 4.512 4.340 -0.000 0.000 0.272 425 L C 0.677 177.439 176.870 -0.179 0.000 1.161 425 L CA 0.320 55.070 54.840 -0.151 0.000 0.845 425 L CB -0.380 41.611 42.059 -0.114 0.000 1.119 425 L HN 0.753 nan 8.230 nan 0.000 0.464 426 W N 3.634 124.855 121.300 -0.133 0.000 3.278 426 W HA 0.163 4.823 4.660 0.000 0.000 0.308 426 W C -0.147 176.473 176.519 0.170 0.000 1.253 426 W CA -0.170 57.193 57.345 0.029 0.000 1.759 426 W CB -0.139 29.386 29.460 0.108 0.000 1.093 426 W HN 0.551 nan 8.180 nan 0.000 0.648 427 Y N -2.871 117.545 120.300 0.193 0.000 2.717 427 Y HA 0.458 5.008 4.550 -0.000 0.000 0.345 427 Y C -1.240 174.729 175.900 0.114 0.000 1.187 427 Y CA -1.864 56.316 58.100 0.133 0.000 1.128 427 Y CB 0.363 38.903 38.460 0.133 0.000 1.360 427 Y HN -0.314 nan 8.280 nan 0.000 0.467 428 Q N 3.043 123.005 119.800 0.270 0.000 2.303 428 Q HA 0.448 4.788 4.340 -0.000 0.000 0.267 428 Q C -1.106 175.027 176.000 0.222 0.000 1.011 428 Q CA -0.618 55.295 55.803 0.182 0.000 0.740 428 Q CB 2.541 31.344 28.738 0.109 0.000 1.250 428 Q HN 0.887 nan 8.270 nan 0.000 0.458 429 L N 2.447 123.810 121.223 0.233 0.000 2.490 429 L HA 0.063 4.403 4.340 -0.000 0.000 0.274 429 L C 1.001 177.962 176.870 0.152 0.000 1.201 429 L CA -0.040 54.906 54.840 0.177 0.000 0.869 429 L CB 0.314 42.455 42.059 0.135 0.000 1.123 429 L HN 0.332 nan 8.230 nan 0.000 0.484 430 E N 2.941 123.248 120.200 0.180 0.000 2.437 430 E HA -0.044 4.306 4.350 -0.000 0.000 0.263 430 E C 0.401 177.171 176.600 0.284 0.000 1.030 430 E CA 0.318 56.854 56.400 0.226 0.000 0.934 430 E CB 0.640 30.503 29.700 0.272 0.000 0.943 430 E HN 0.417 nan 8.360 nan 0.000 0.444 431 K N 1.001 121.538 120.400 0.229 0.000 2.352 431 K HA 0.060 4.380 4.320 -0.000 0.000 0.194 431 K C 0.019 176.798 176.600 0.299 0.000 1.038 431 K CA 0.345 56.770 56.287 0.230 0.000 1.023 431 K CB 0.588 33.165 32.500 0.128 0.000 0.840 431 K HN 0.338 nan 8.250 nan 0.000 0.519 432 E N 0.566 120.870 120.200 0.173 0.000 2.317 432 E HA 0.305 4.655 4.350 -0.000 0.000 0.270 432 E C -2.779 173.498 176.600 -0.537 0.000 0.885 432 E CA -2.705 53.644 56.400 -0.086 0.000 0.760 432 E CB 1.523 31.190 29.700 -0.056 0.000 1.227 432 E HN -0.202 nan 8.360 nan 0.000 0.434 433 P HA 0.034 nan 4.420 nan 0.000 0.262 433 P C -0.034 177.024 177.300 -0.403 0.000 1.182 433 P CA 0.436 62.944 63.100 -0.988 0.000 0.761 433 P CB 0.282 31.638 31.700 -0.572 0.000 0.795 434 I N 2.655 123.072 120.570 -0.255 0.000 2.634 434 I HA 0.026 4.195 4.170 -0.000 0.000 0.284 434 I C 0.457 176.528 176.117 -0.077 0.000 1.124 434 I CA -0.289 60.952 61.300 -0.098 0.000 1.417 434 I CB 0.491 38.478 38.000 -0.022 0.000 1.396 434 I HN 0.034 nan 8.210 nan 0.000 0.571 435 V N 4.693 124.577 119.914 -0.049 0.000 2.509 435 V HA 0.360 4.480 4.120 -0.000 0.000 0.284 435 V C 0.898 176.983 176.094 -0.014 0.000 1.047 435 V CA -0.327 61.953 62.300 -0.034 0.000 0.952 435 V CB 0.954 32.761 31.823 -0.028 0.000 0.988 435 V HN 1.102 nan 8.190 nan 0.000 0.469 436 G N 3.488 112.283 108.800 -0.008 0.000 2.370 436 G HA2 0.163 4.123 3.960 -0.000 0.000 0.293 436 G HA3 0.163 4.123 3.960 -0.000 0.000 0.293 436 G C 0.016 174.922 174.900 0.011 0.000 0.992 436 G CA 0.384 45.485 45.100 0.002 0.000 1.247 436 G HN 1.759 nan 8.290 nan 0.000 0.505 437 A N 0.486 123.317 122.820 0.017 0.000 2.517 437 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 437 A C 0.059 177.680 177.584 0.061 0.000 1.050 437 A CA -0.550 51.509 52.037 0.037 0.000 0.694 437 A CB 0.993 20.012 19.000 0.031 0.000 1.277 437 A HN 0.477 nan 8.150 nan 0.000 0.400 438 E N 1.439 121.699 120.200 0.101 0.000 2.765 438 E HA 0.042 4.392 4.350 -0.000 0.000 0.256 438 E C -0.297 176.413 176.600 0.183 0.000 0.935 438 E CA 0.906 57.388 56.400 0.137 0.000 0.954 438 E CB 0.291 30.165 29.700 0.291 0.000 0.908 438 E HN 0.527 nan 8.360 nan 0.000 0.500 439 T N 4.088 118.681 114.554 0.066 0.000 2.771 439 T HA 0.295 4.645 4.350 -0.000 0.000 0.291 439 T C -0.428 174.259 174.700 -0.022 0.000 0.954 439 T CA -0.287 61.837 62.100 0.041 0.000 1.045 439 T CB 0.115 68.974 68.868 -0.016 0.000 0.917 439 T HN 0.185 nan 8.240 nan 0.000 0.484 440 F N 3.013 122.872 119.950 -0.152 0.000 2.325 440 F HA 0.360 4.887 4.527 -0.000 0.000 0.369 440 F C -0.325 175.393 175.800 -0.138 0.000 1.095 440 F CA -1.273 56.660 58.000 -0.111 0.000 1.082 440 F CB 0.593 39.488 39.000 -0.175 0.000 1.289 440 F HN 0.553 nan 8.300 nan 0.000 0.462 441 Y N 3.537 123.895 120.300 0.096 0.000 2.539 441 Y HA 0.408 4.958 4.550 -0.000 0.000 0.352 441 Y C 0.421 176.402 175.900 0.136 0.000 1.004 441 Y CA -0.661 57.488 58.100 0.082 0.000 1.278 441 Y CB 0.413 38.888 38.460 0.025 0.000 1.136 441 Y HN 0.351 nan 8.280 nan 0.000 0.528 442 V N 0.213 120.262 119.914 0.226 0.000 2.881 442 V HA 0.858 4.978 4.120 -0.000 0.000 0.316 442 V C -0.839 175.340 176.094 0.141 0.000 1.070 442 V CA -0.511 61.923 62.300 0.223 0.000 0.976 442 V CB 2.246 34.191 31.823 0.203 0.000 1.038 442 V HN 0.600 nan 8.190 nan 0.000 0.446 443 D N 0.283 120.758 120.400 0.125 0.000 2.671 443 D HA 0.731 5.371 4.640 -0.000 0.000 0.273 443 D C -0.435 175.910 176.300 0.075 0.000 1.264 443 D CA 0.510 54.555 54.000 0.075 0.000 0.788 443 D CB 1.955 42.776 40.800 0.036 0.000 1.324 443 D HN 1.140 nan 8.370 nan 0.000 0.424 444 G N -0.837 107.999 108.800 0.061 0.000 2.658 444 G HA2 0.911 4.871 3.960 -0.000 0.000 0.292 444 G HA3 0.911 4.871 3.960 -0.000 0.000 0.292 444 G C -1.391 173.540 174.900 0.052 0.000 1.320 444 G CA -0.098 45.039 45.100 0.063 0.000 0.933 444 G HN 0.681 nan 8.290 nan 0.000 0.476 445 A N -1.333 121.518 122.820 0.051 0.000 2.529 445 A HA 1.099 5.419 4.320 -0.000 0.000 0.296 445 A C -0.785 176.825 177.584 0.042 0.000 1.205 445 A CA -0.144 51.923 52.037 0.050 0.000 0.671 445 A CB 1.358 20.388 19.000 0.049 0.000 1.301 445 A HN 2.615 nan 8.150 nan 0.000 0.450 446 A N 0.062 122.905 122.820 0.038 0.000 2.581 446 A HA 0.514 4.834 4.320 -0.000 0.000 0.309 446 A C -1.009 176.589 177.584 0.024 0.000 1.022 446 A CA -0.044 52.010 52.037 0.029 0.000 0.833 446 A CB -0.054 18.962 19.000 0.027 0.000 1.208 446 A HN 1.149 nan 8.150 nan 0.000 0.388 447 N N 1.194 119.905 118.700 0.018 0.000 2.442 447 N HA 0.197 4.937 4.740 -0.000 0.000 0.265 447 N C 1.092 176.608 175.510 0.011 0.000 1.138 447 N CA -0.479 52.579 53.050 0.013 0.000 0.956 447 N CB 0.543 39.036 38.487 0.010 0.000 1.067 447 N HN 0.642 nan 8.380 nan 0.000 0.474 448 R N 1.780 122.285 120.500 0.009 0.000 2.237 448 R HA -0.120 4.220 4.340 -0.000 0.000 0.219 448 R C 0.791 177.093 176.300 0.004 0.000 1.080 448 R CA 1.130 57.233 56.100 0.006 0.000 0.995 448 R CB 0.209 30.512 30.300 0.004 0.000 0.875 448 R HN 0.648 nan 8.270 nan 0.000 0.462 449 E N -1.362 118.841 120.200 0.005 0.000 2.110 449 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 449 E C 1.601 178.203 176.600 0.005 0.000 0.950 449 E CA 1.027 57.429 56.400 0.004 0.000 0.840 449 E CB 0.132 29.834 29.700 0.003 0.000 0.809 449 E HN 0.014 nan 8.360 nan 0.000 0.465 450 T N 1.484 116.041 114.554 0.006 0.000 3.072 450 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 450 T C 0.073 174.778 174.700 0.008 0.000 1.127 450 T CA 0.451 62.555 62.100 0.007 0.000 1.107 450 T CB -0.035 68.837 68.868 0.007 0.000 0.910 450 T HN 0.006 nan 8.240 nan 0.000 0.513 451 K N 0.863 121.269 120.400 0.009 0.000 3.035 451 K HA -0.171 4.149 4.320 -0.000 0.000 0.262 451 K C -0.088 176.520 176.600 0.013 0.000 1.024 451 K CA 0.521 56.814 56.287 0.010 0.000 0.748 451 K CB -2.682 29.823 32.500 0.009 0.000 1.247 451 K HN 0.678 nan 8.250 nan 0.000 0.482 452 L N -4.823 116.409 121.223 0.014 0.000 2.409 452 L HA 0.955 5.295 4.340 -0.000 0.000 0.255 452 L C 0.004 176.885 176.870 0.019 0.000 1.027 452 L CA -0.562 54.288 54.840 0.017 0.000 0.834 452 L CB 2.697 44.765 42.059 0.015 0.000 1.426 452 L HN 0.061 nan 8.230 nan 0.000 0.411 453 G N 0.737 109.550 108.800 0.023 0.000 2.608 453 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 453 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 453 G C -2.091 172.825 174.900 0.027 0.000 1.425 453 G CA -0.902 44.214 45.100 0.026 0.000 0.787 453 G HN 0.613 nan 8.290 nan 0.000 0.484 454 K N -0.089 120.327 120.400 0.027 0.000 2.323 454 K HA 0.681 5.001 4.320 -0.000 0.000 0.259 454 K C -0.543 176.076 176.600 0.032 0.000 0.947 454 K CA -0.544 55.756 56.287 0.022 0.000 0.819 454 K CB 2.335 34.841 32.500 0.010 0.000 1.109 454 K HN 0.642 nan 8.250 nan 0.000 0.429 455 A N 2.295 125.137 122.820 0.036 0.000 2.273 455 A HA 0.771 5.091 4.320 -0.000 0.000 0.315 455 A C -0.169 177.437 177.584 0.037 0.000 1.256 455 A CA -0.390 51.681 52.037 0.056 0.000 0.851 455 A CB 1.078 20.128 19.000 0.084 0.000 1.172 455 A HN 0.821 nan 8.150 nan 0.000 0.508 456 G N 0.393 109.216 108.800 0.039 0.000 3.021 456 G HA2 0.792 4.752 3.960 -0.000 0.000 0.290 456 G HA3 0.792 4.752 3.960 -0.000 0.000 0.290 456 G C -1.055 173.902 174.900 0.095 0.000 1.291 456 G CA -0.198 44.878 45.100 -0.040 0.000 0.834 456 G HN 1.698 nan 8.290 nan 0.000 0.564 457 Y N -2.432 117.919 120.300 0.085 0.000 2.638 457 Y HA 0.613 5.164 4.550 0.000 0.000 0.334 457 Y C -0.986 174.950 175.900 0.060 0.000 1.182 457 Y CA -1.354 56.816 58.100 0.117 0.000 1.102 457 Y CB 0.964 39.561 38.460 0.229 0.000 1.343 457 Y HN 1.140 nan 8.280 nan 0.000 0.463 458 V N -1.049 119.074 119.914 0.347 0.000 3.141 458 V HA 0.995 5.115 4.120 -0.000 0.000 0.312 458 V C -0.900 175.243 176.094 0.082 0.000 1.157 458 V CA -0.555 61.855 62.300 0.185 0.000 1.041 458 V CB 1.752 33.612 31.823 0.062 0.000 1.071 458 V HN 1.057 nan 8.190 nan 0.000 0.441 459 T N 1.544 116.074 114.554 -0.040 0.000 2.887 459 T HA 0.415 4.765 4.350 -0.000 0.000 0.292 459 T C 0.600 175.269 174.700 -0.052 0.000 1.087 459 T CA 0.019 62.010 62.100 -0.182 0.000 1.009 459 T CB 1.517 70.119 68.868 -0.443 0.000 1.203 459 T HN 1.024 nan 8.240 nan 0.000 0.518 460 N N 0.440 119.118 118.700 -0.036 0.000 2.449 460 N HA 0.019 4.758 4.740 -0.000 0.000 0.191 460 N C 0.400 175.894 175.510 -0.026 0.000 1.161 460 N CA 0.188 53.242 53.050 0.007 0.000 0.863 460 N CB 0.164 38.680 38.487 0.047 0.000 0.980 460 N HN 0.488 nan 8.380 nan 0.000 0.458 461 K N -0.952 119.413 120.400 -0.058 0.000 2.501 461 K HA 0.256 4.575 4.320 -0.000 0.000 0.204 461 K C 0.429 177.006 176.600 -0.038 0.000 1.067 461 K CA 0.275 56.536 56.287 -0.044 0.000 1.060 461 K CB 1.030 33.502 32.500 -0.047 0.000 0.873 461 K HN 0.204 nan 8.250 nan 0.000 0.540 462 G N 1.944 110.719 108.800 -0.041 0.000 2.284 462 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.230 462 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.230 462 G C 0.208 175.097 174.900 -0.019 0.000 1.021 462 G CA -0.290 44.793 45.100 -0.027 0.000 0.619 462 G HN 0.236 nan 8.290 nan 0.000 0.510 463 R N 0.513 121.002 120.500 -0.018 0.000 2.905 463 R HA 0.506 4.846 4.340 -0.000 0.000 0.273 463 R C 0.406 176.740 176.300 0.058 0.000 1.033 463 R CA 1.017 57.138 56.100 0.034 0.000 1.182 463 R CB 0.207 30.549 30.300 0.069 0.000 1.097 463 R HN 0.575 nan 8.270 nan 0.000 0.504 464 Q N 0.143 119.977 119.800 0.057 0.000 2.574 464 Q HA 0.288 4.628 4.340 -0.000 0.000 0.265 464 Q C -1.816 174.028 176.000 -0.260 0.000 0.975 464 Q CA -0.556 55.191 55.803 -0.092 0.000 0.923 464 Q CB 1.610 30.307 28.738 -0.068 0.000 1.518 464 Q HN 0.572 nan 8.270 nan 0.000 0.401 465 K N 0.834 120.895 120.400 -0.565 0.000 2.152 465 K HA 0.827 5.147 4.320 -0.000 0.000 0.257 465 K C -1.637 174.744 176.600 -0.365 0.000 0.961 465 K CA -0.433 55.551 56.287 -0.505 0.000 0.816 465 K CB 2.173 34.226 32.500 -0.746 0.000 1.501 465 K HN 0.347 nan 8.250 nan 0.000 0.417 466 V N 1.604 121.371 119.914 -0.246 0.000 5.620 466 V HA -0.003 4.117 4.120 -0.000 0.000 0.274 466 V C -0.921 175.136 176.094 -0.063 0.000 1.040 466 V CA -0.777 61.445 62.300 -0.129 0.000 1.641 466 V CB 0.147 31.912 31.823 -0.097 0.000 0.135 466 V HN 0.552 nan 8.190 nan 0.000 0.439 467 V N 1.766 121.658 119.914 -0.037 0.000 2.458 467 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 467 V C -1.458 174.642 176.094 0.011 0.000 1.009 467 V CA -0.812 61.487 62.300 -0.002 0.000 1.091 467 V CB 0.584 32.420 31.823 0.022 0.000 0.960 467 V HN 0.538 nan 8.190 nan 0.000 0.476 468 P HA 0.475 nan 4.420 nan 0.000 0.280 468 P C -0.971 176.344 177.300 0.024 0.000 1.244 468 P CA -0.344 62.764 63.100 0.014 0.000 0.784 468 P CB 1.470 33.174 31.700 0.008 0.000 0.913 469 L N 2.681 123.922 121.223 0.029 0.000 2.334 469 L HA 0.523 4.863 4.340 -0.000 0.000 0.276 469 L C 0.711 177.597 176.870 0.028 0.000 1.014 469 L CA -0.049 54.812 54.840 0.034 0.000 0.815 469 L CB 1.707 43.793 42.059 0.046 0.000 1.268 469 L HN 0.247 nan 8.230 nan 0.000 0.428 470 T N 2.478 117.048 114.554 0.026 0.000 2.770 470 T HA 0.382 4.732 4.350 -0.000 0.000 0.283 470 T C -0.383 174.329 174.700 0.021 0.000 0.988 470 T CA -0.411 61.702 62.100 0.021 0.000 0.957 470 T CB 0.361 69.240 68.868 0.018 0.000 0.930 470 T HN 0.617 nan 8.240 nan 0.000 0.443 471 N N 1.862 120.573 118.700 0.019 0.000 2.791 471 N HA -0.123 4.617 4.740 -0.000 0.000 0.250 471 N C -0.393 175.130 175.510 0.021 0.000 1.082 471 N CA 0.976 54.037 53.050 0.017 0.000 0.680 471 N CB -1.179 37.317 38.487 0.015 0.000 0.918 471 N HN 0.873 nan 8.380 nan 0.000 0.555 472 T N -3.269 111.299 114.554 0.022 0.000 2.912 472 T HA 0.618 4.968 4.350 -0.000 0.000 0.299 472 T C 0.765 175.477 174.700 0.020 0.000 1.052 472 T CA -0.275 61.840 62.100 0.026 0.000 0.996 472 T CB 2.511 71.401 68.868 0.037 0.000 1.070 472 T HN 0.236 nan 8.240 nan 0.000 0.465 473 T N 0.700 115.263 114.554 0.014 0.000 2.667 473 T HA 0.169 4.519 4.350 -0.000 0.000 0.305 473 T C 1.135 175.836 174.700 0.003 0.000 1.022 473 T CA -0.081 62.019 62.100 0.000 0.000 0.995 473 T CB 0.051 68.908 68.868 -0.018 0.000 1.026 473 T HN 0.588 nan 8.240 nan 0.000 0.527 474 N N -0.242 118.452 118.700 -0.011 0.000 2.512 474 N HA -0.029 4.711 4.740 -0.000 0.000 0.183 474 N C 1.854 177.360 175.510 -0.006 0.000 1.073 474 N CA 0.802 53.852 53.050 -0.000 0.000 0.911 474 N CB -0.230 38.256 38.487 -0.002 0.000 0.964 474 N HN 0.632 nan 8.380 nan 0.000 0.447 475 Q N -0.210 119.561 119.800 -0.049 0.000 2.178 475 Q HA 0.053 4.392 4.340 -0.000 0.000 0.195 475 Q C 1.611 177.674 176.000 0.104 0.000 0.960 475 Q CA 0.612 56.372 55.803 -0.072 0.000 0.843 475 Q CB 0.103 28.579 28.738 -0.436 0.000 0.927 475 Q HN 0.264 nan 8.270 nan 0.000 0.487 476 K N 0.685 121.139 120.400 0.089 0.000 2.059 476 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 476 K C 1.968 178.637 176.600 0.116 0.000 1.050 476 K CA 1.868 58.227 56.287 0.119 0.000 0.927 476 K CB -0.583 31.964 32.500 0.079 0.000 0.714 476 K HN 0.266 nan 8.250 nan 0.000 0.447 477 T N -0.531 114.077 114.554 0.091 0.000 3.570 477 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 477 T C 1.020 175.784 174.700 0.105 0.000 1.178 477 T CA 0.674 62.828 62.100 0.090 0.000 1.002 477 T CB -0.061 68.848 68.868 0.067 0.000 0.993 477 T HN 0.095 nan 8.240 nan 0.000 0.567 478 E N -0.144 120.136 120.200 0.133 0.000 2.399 478 E HA 0.294 4.644 4.350 -0.000 0.000 0.206 478 E C 1.885 178.569 176.600 0.140 0.000 0.812 478 E CA 0.149 56.635 56.400 0.145 0.000 1.138 478 E CB -0.027 29.784 29.700 0.185 0.000 1.140 478 E HN 0.469 nan 8.360 nan 0.000 0.536 479 L N 0.987 122.299 121.223 0.149 0.000 2.270 479 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 479 L C 2.496 179.441 176.870 0.125 0.000 1.104 479 L CA 0.699 55.597 54.840 0.097 0.000 0.804 479 L CB 0.006 42.104 42.059 0.065 0.000 0.937 479 L HN 0.047 nan 8.230 nan 0.000 0.450 480 Q N 0.251 120.139 119.800 0.146 0.000 2.046 480 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 480 Q C 2.294 178.422 176.000 0.214 0.000 0.975 480 Q CA 2.023 57.946 55.803 0.200 0.000 0.836 480 Q CB -0.221 28.611 28.738 0.156 0.000 0.896 480 Q HN 0.449 nan 8.270 nan 0.000 0.428 481 A N 0.882 123.800 122.820 0.163 0.000 1.851 481 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 481 A C 2.044 179.718 177.584 0.149 0.000 1.195 481 A CA 1.568 53.705 52.037 0.167 0.000 0.622 481 A CB -1.134 17.957 19.000 0.151 0.000 0.831 481 A HN 0.563 nan 8.150 nan 0.000 0.444 482 I N -1.287 119.353 120.570 0.116 0.000 2.248 482 I HA -0.258 3.911 4.170 -0.000 0.000 0.248 482 I C 2.187 178.345 176.117 0.069 0.000 1.107 482 I CA 2.359 63.697 61.300 0.062 0.000 1.373 482 I CB -0.875 37.150 38.000 0.041 0.000 1.055 482 I HN 0.544 nan 8.210 nan 0.000 0.418 483 Y N 1.354 121.642 120.300 -0.020 0.000 2.114 483 Y HA -0.247 4.302 4.550 -0.000 0.000 0.284 483 Y C 2.449 178.331 175.900 -0.030 0.000 1.143 483 Y CA 1.886 59.965 58.100 -0.034 0.000 1.135 483 Y CB -1.006 37.449 38.460 -0.009 0.000 0.980 483 Y HN 0.185 nan 8.280 nan 0.000 0.499 484 L N 0.743 121.903 121.223 -0.106 0.000 2.051 484 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 484 L C 2.510 179.284 176.870 -0.160 0.000 1.076 484 L CA 2.318 57.079 54.840 -0.131 0.000 0.758 484 L CB -1.308 40.840 42.059 0.148 0.000 0.890 484 L HN 0.335 nan 8.230 nan 0.000 0.433 485 A N -1.114 121.591 122.820 -0.191 0.000 1.930 485 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 485 A C 2.106 179.293 177.584 -0.661 0.000 1.175 485 A CA 1.583 53.270 52.037 -0.583 0.000 0.627 485 A CB -0.792 17.929 19.000 -0.464 0.000 0.815 485 A HN 0.460 nan 8.150 nan 0.000 0.443 486 L N -0.961 120.033 121.223 -0.382 0.000 2.610 486 L HA -0.023 4.317 4.340 -0.000 0.000 0.232 486 L C 2.353 179.057 176.870 -0.277 0.000 1.149 486 L CA 0.687 55.346 54.840 -0.301 0.000 0.872 486 L CB -0.147 41.826 42.059 -0.143 0.000 0.992 486 L HN 0.569 nan 8.230 nan 0.000 0.447 487 Q N -0.645 118.956 119.800 -0.331 0.000 2.481 487 Q HA -0.044 4.296 4.340 -0.000 0.000 0.219 487 Q C 0.921 176.810 176.000 -0.184 0.000 0.920 487 Q CA 0.376 56.023 55.803 -0.260 0.000 0.915 487 Q CB 0.678 29.209 28.738 -0.346 0.000 1.057 487 Q HN 0.286 nan 8.270 nan 0.000 0.581 488 D N 0.615 120.900 120.400 -0.193 0.000 2.340 488 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 488 D C 0.106 176.358 176.300 -0.081 0.000 1.039 488 D CA 0.272 54.230 54.000 -0.070 0.000 0.866 488 D CB 0.356 41.202 40.800 0.077 0.000 0.913 488 D HN 0.180 nan 8.370 nan 0.000 0.523 489 S N -1.019 114.528 115.700 -0.255 0.000 2.722 489 S HA 0.720 5.190 4.470 -0.000 0.000 0.292 489 S C 0.687 175.222 174.600 -0.109 0.000 1.135 489 S CA -0.836 57.230 58.200 -0.223 0.000 1.003 489 S CB 1.987 64.846 63.200 -0.568 0.000 1.067 489 S HN 0.040 nan 8.310 nan 0.000 0.546 490 G N -0.595 108.176 108.800 -0.049 0.000 2.557 490 G HA2 0.460 4.420 3.960 -0.000 0.000 0.292 490 G HA3 0.460 4.420 3.960 -0.000 0.000 0.292 490 G C 0.563 175.440 174.900 -0.038 0.000 1.237 490 G CA -1.125 43.959 45.100 -0.026 0.000 0.978 490 G HN 0.741 nan 8.290 nan 0.000 0.498 491 L N -0.992 120.220 121.223 -0.019 0.000 2.556 491 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 491 L C 1.120 177.984 176.870 -0.011 0.000 1.163 491 L CA 1.098 55.929 54.840 -0.014 0.000 0.819 491 L CB -0.169 41.890 42.059 0.000 0.000 0.939 491 L HN 0.549 nan 8.230 nan 0.000 0.452 492 E N -0.360 119.834 120.200 -0.010 0.000 2.287 492 E HA 0.559 4.908 4.350 -0.000 0.000 0.274 492 E C -1.441 175.162 176.600 0.004 0.000 0.896 492 E CA -0.375 56.026 56.400 0.003 0.000 0.788 492 E CB 1.915 31.623 29.700 0.013 0.000 1.244 492 E HN -0.190 nan 8.360 nan 0.000 0.408 493 V N 2.922 122.839 119.914 0.005 0.000 3.253 493 V HA 0.573 4.693 4.120 -0.000 0.000 0.300 493 V C -1.524 174.600 176.094 0.049 0.000 1.398 493 V CA -1.062 61.243 62.300 0.009 0.000 1.067 493 V CB 2.614 34.382 31.823 -0.093 0.000 1.102 493 V HN 0.836 nan 8.190 nan 0.000 0.455 494 N N 0.822 119.566 118.700 0.073 0.000 2.371 494 N HA 0.623 5.363 4.740 -0.000 0.000 0.280 494 N C -1.622 173.937 175.510 0.082 0.000 1.084 494 N CA -0.441 52.684 53.050 0.125 0.000 0.892 494 N CB 2.171 40.767 38.487 0.182 0.000 1.653 494 N HN 0.604 nan 8.380 nan 0.000 0.480 495 I N 0.557 121.154 120.570 0.045 0.000 2.569 495 I HA 0.504 4.673 4.170 -0.000 0.000 0.296 495 I C -0.591 175.496 176.117 -0.051 0.000 1.028 495 I CA -1.315 59.980 61.300 -0.008 0.000 1.082 495 I CB 2.377 40.355 38.000 -0.038 0.000 1.264 495 I HN 0.156 nan 8.210 nan 0.000 0.429 496 V N 4.263 124.109 119.914 -0.114 0.000 2.409 496 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 496 V C -0.042 176.023 176.094 -0.049 0.000 1.020 496 V CA -0.250 61.967 62.300 -0.138 0.000 0.848 496 V CB 1.870 33.471 31.823 -0.369 0.000 0.990 496 V HN 0.852 nan 8.190 nan 0.000 0.430 497 T N 2.332 116.864 114.554 -0.037 0.000 2.942 497 T HA 0.453 4.803 4.350 -0.000 0.000 0.289 497 T C 0.124 174.728 174.700 -0.160 0.000 1.044 497 T CA -0.433 61.655 62.100 -0.020 0.000 1.023 497 T CB 1.801 70.705 68.868 0.061 0.000 1.123 497 T HN 0.870 nan 8.240 nan 0.000 0.512 498 D N -1.419 118.898 120.400 -0.139 0.000 2.479 498 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 498 D C 0.202 176.530 176.300 0.047 0.000 1.177 498 D CA -0.370 53.460 54.000 -0.284 0.000 0.830 498 D CB 0.390 41.034 40.800 -0.260 0.000 1.014 498 D HN 0.313 nan 8.370 nan 0.000 0.503 499 S N 0.848 116.659 115.700 0.185 0.000 2.474 499 S HA 0.091 4.561 4.470 -0.000 0.000 0.320 499 S C 1.087 175.898 174.600 0.352 0.000 1.067 499 S CA -0.656 57.711 58.200 0.277 0.000 1.127 499 S CB 0.974 64.303 63.200 0.215 0.000 0.971 499 S HN 0.320 nan 8.310 nan 0.000 0.472 500 Q N 4.538 124.557 119.800 0.365 0.000 2.291 500 Q HA -0.187 4.153 4.340 -0.000 0.000 0.205 500 Q C 1.359 177.414 176.000 0.093 0.000 0.970 500 Q CA 1.319 57.189 55.803 0.112 0.000 0.876 500 Q CB -0.540 28.136 28.738 -0.104 0.000 0.935 500 Q HN 0.894 nan 8.270 nan 0.000 0.455 501 Y N 1.320 121.649 120.300 0.048 0.000 2.128 501 Y HA -0.200 4.351 4.550 0.000 0.000 0.284 501 Y C 2.337 178.254 175.900 0.029 0.000 1.154 501 Y CA 1.957 60.078 58.100 0.034 0.000 1.149 501 Y CB -0.621 37.868 38.460 0.048 0.000 0.976 501 Y HN 0.224 nan 8.280 nan 0.000 0.505 502 A N 0.009 122.756 122.820 -0.122 0.000 1.929 502 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 502 A C 2.185 179.688 177.584 -0.135 0.000 1.176 502 A CA 1.355 53.256 52.037 -0.227 0.000 0.628 502 A CB -1.145 17.836 19.000 -0.031 0.000 0.816 502 A HN 0.556 nan 8.150 nan 0.000 0.444 503 L N 0.227 121.432 121.223 -0.030 0.000 1.994 503 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 503 L C 2.457 179.294 176.870 -0.055 0.000 1.071 503 L CA 2.447 57.276 54.840 -0.018 0.000 0.745 503 L CB -1.102 40.974 42.059 0.028 0.000 0.892 503 L HN 0.310 nan 8.230 nan 0.000 0.431 504 G N -0.109 108.641 108.800 -0.083 0.000 2.491 504 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 504 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 504 G C 1.620 176.514 174.900 -0.010 0.000 1.180 504 G CA 1.356 46.418 45.100 -0.063 0.000 0.774 504 G HN 0.482 nan 8.290 nan 0.000 0.562 505 I N 0.702 121.199 120.570 -0.122 0.000 2.069 505 I HA -0.220 3.950 4.170 -0.000 0.000 0.237 505 I C 2.733 178.817 176.117 -0.055 0.000 1.053 505 I CA 1.424 62.623 61.300 -0.169 0.000 1.311 505 I CB -0.350 37.374 38.000 -0.460 0.000 1.030 505 I HN 0.157 nan 8.210 nan 0.000 0.398 506 I N 0.018 120.550 120.570 -0.062 0.000 2.493 506 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 506 I C 2.419 178.607 176.117 0.118 0.000 1.160 506 I CA 0.957 62.273 61.300 0.028 0.000 1.445 506 I CB -0.380 37.609 38.000 -0.018 0.000 1.086 506 I HN 0.360 nan 8.210 nan 0.000 0.433 507 Q N 1.293 121.146 119.800 0.088 0.000 2.482 507 Q HA 0.023 4.363 4.340 -0.000 0.000 0.209 507 Q C 1.531 177.650 176.000 0.198 0.000 0.961 507 Q CA 0.705 56.576 55.803 0.114 0.000 0.945 507 Q CB 0.196 28.966 28.738 0.054 0.000 1.012 507 Q HN 0.507 nan 8.270 nan 0.000 0.515 508 A N -0.121 122.848 122.820 0.248 0.000 2.500 508 A HA 0.126 4.446 4.320 -0.000 0.000 0.267 508 A C -0.199 177.568 177.584 0.305 0.000 1.290 508 A CA -0.222 52.010 52.037 0.325 0.000 0.928 508 A CB 0.104 19.366 19.000 0.437 0.000 1.066 508 A HN 0.486 nan 8.150 nan 0.000 0.516 509 Q N -1.091 118.852 119.800 0.238 0.000 2.439 509 Q HA -0.150 4.190 4.340 -0.000 0.000 0.325 509 Q C -2.229 173.807 176.000 0.059 0.000 1.372 509 Q CA 0.273 56.111 55.803 0.059 0.000 0.909 509 Q CB -1.918 26.774 28.738 -0.077 0.000 1.167 509 Q HN 0.445 nan 8.270 nan 0.000 0.418 510 P HA -0.095 nan 4.420 nan 0.000 0.267 510 P C 0.288 177.687 177.300 0.165 0.000 1.201 510 P CA 0.683 63.877 63.100 0.157 0.000 0.775 510 P CB 0.418 32.213 31.700 0.159 0.000 0.854 511 D N -0.077 120.371 120.400 0.079 0.000 2.556 511 D HA 0.149 4.789 4.640 -0.000 0.000 0.237 511 D C -0.414 175.840 176.300 -0.076 0.000 1.296 511 D CA -0.063 53.944 54.000 0.012 0.000 0.807 511 D CB 0.128 40.915 40.800 -0.022 0.000 1.084 511 D HN 0.265 nan 8.370 nan 0.000 0.510 512 K N -0.542 119.859 120.400 0.001 0.000 2.636 512 K HA 0.480 4.800 4.320 -0.000 0.000 0.268 512 K C -1.824 174.813 176.600 0.061 0.000 0.958 512 K CA -0.528 55.755 56.287 -0.006 0.000 0.875 512 K CB 1.983 34.467 32.500 -0.027 0.000 1.382 512 K HN -0.024 nan 8.250 nan 0.000 0.405 513 S N 0.927 116.664 115.700 0.062 0.000 2.550 513 S HA 0.255 4.724 4.470 -0.000 0.000 0.270 513 S C -1.155 173.484 174.600 0.064 0.000 1.145 513 S CA -0.732 57.543 58.200 0.125 0.000 0.852 513 S CB 1.508 64.879 63.200 0.286 0.000 1.119 513 S HN 0.580 nan 8.310 nan 0.000 0.465 514 E N 1.841 122.064 120.200 0.038 0.000 2.422 514 E HA 0.258 4.608 4.350 -0.000 0.000 0.267 514 E C -0.629 175.993 176.600 0.036 0.000 1.466 514 E CA -0.150 56.259 56.400 0.014 0.000 1.767 514 E CB 0.432 30.123 29.700 -0.015 0.000 1.471 514 E HN 0.323 nan 8.360 nan 0.000 0.446 515 S N 0.587 116.323 115.700 0.060 0.000 2.689 515 S HA 0.089 4.559 4.470 -0.000 0.000 0.274 515 S C 0.452 175.061 174.600 0.015 0.000 1.176 515 S CA -0.648 57.589 58.200 0.063 0.000 1.014 515 S CB 1.307 64.591 63.200 0.140 0.000 1.071 515 S HN 0.146 nan 8.310 nan 0.000 0.478 516 E N 3.761 123.956 120.200 -0.008 0.000 2.160 516 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 516 E C 1.563 178.105 176.600 -0.097 0.000 0.991 516 E CA 1.191 57.564 56.400 -0.044 0.000 0.810 516 E CB -0.077 29.601 29.700 -0.036 0.000 0.742 516 E HN 0.632 nan 8.360 nan 0.000 0.466 517 L N -0.061 121.107 121.223 -0.092 0.000 2.005 517 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 517 L C 2.256 179.002 176.870 -0.207 0.000 1.072 517 L CA 1.383 56.118 54.840 -0.176 0.000 0.744 517 L CB -1.088 40.918 42.059 -0.089 0.000 0.895 517 L HN 0.113 nan 8.230 nan 0.000 0.433 518 V N 0.685 120.536 119.914 -0.105 0.000 2.407 518 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 518 V C 2.337 178.368 176.094 -0.105 0.000 1.055 518 V CA 1.644 63.881 62.300 -0.105 0.000 1.049 518 V CB -0.773 31.014 31.823 -0.059 0.000 0.662 518 V HN 0.473 nan 8.190 nan 0.000 0.455 519 N N -0.168 118.480 118.700 -0.088 0.000 2.223 519 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 519 N C 1.908 177.344 175.510 -0.124 0.000 1.016 519 N CA 1.210 54.207 53.050 -0.088 0.000 0.863 519 N CB -0.214 38.231 38.487 -0.070 0.000 0.983 519 N HN 0.603 nan 8.380 nan 0.000 0.429 520 Q N 0.190 119.871 119.800 -0.199 0.000 1.994 520 Q HA 0.064 4.404 4.340 -0.000 0.000 0.198 520 Q C 2.061 177.955 176.000 -0.177 0.000 0.976 520 Q CA 0.859 56.517 55.803 -0.243 0.000 0.828 520 Q CB -0.089 28.328 28.738 -0.534 0.000 0.894 520 Q HN 0.350 nan 8.270 nan 0.000 0.432 521 I N 0.982 121.407 120.570 -0.242 0.000 2.300 521 I HA -0.318 3.852 4.170 -0.000 0.000 0.252 521 I C 2.032 178.082 176.117 -0.112 0.000 1.119 521 I CA 0.823 62.070 61.300 -0.088 0.000 1.384 521 I CB -0.432 37.508 38.000 -0.100 0.000 1.062 521 I HN 0.282 nan 8.210 nan 0.000 0.426 522 I N 0.554 121.053 120.570 -0.117 0.000 2.072 522 I HA -0.277 3.893 4.170 -0.000 0.000 0.235 522 I C 2.570 178.621 176.117 -0.110 0.000 1.058 522 I CA 1.631 62.863 61.300 -0.113 0.000 1.320 522 I CB -1.285 36.682 38.000 -0.055 0.000 1.047 522 I HN 0.192 nan 8.210 nan 0.000 0.397 523 E N 0.701 120.857 120.200 -0.074 0.000 2.147 523 E HA -0.301 4.049 4.350 -0.000 0.000 0.199 523 E C 2.096 178.679 176.600 -0.028 0.000 1.005 523 E CA 1.657 58.030 56.400 -0.045 0.000 0.810 523 E CB -0.169 29.509 29.700 -0.036 0.000 0.736 523 E HN 0.313 nan 8.360 nan 0.000 0.460 524 Q N -0.166 119.619 119.800 -0.025 0.000 2.084 524 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 524 Q C 2.032 177.984 176.000 -0.080 0.000 0.978 524 Q CA 1.350 57.142 55.803 -0.019 0.000 0.844 524 Q CB -0.217 28.546 28.738 0.041 0.000 0.898 524 Q HN 0.382 nan 8.270 nan 0.000 0.426 525 L N -0.356 120.763 121.223 -0.174 0.000 2.265 525 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 525 L C 1.936 178.696 176.870 -0.183 0.000 1.117 525 L CA 0.700 55.358 54.840 -0.303 0.000 0.782 525 L CB -0.259 41.361 42.059 -0.731 0.000 0.914 525 L HN 0.294 nan 8.230 nan 0.000 0.441 526 I N -0.802 119.732 120.570 -0.060 0.000 2.876 526 I HA -0.171 3.999 4.170 -0.000 0.000 0.264 526 I C 2.171 178.337 176.117 0.082 0.000 1.204 526 I CA 0.829 62.190 61.300 0.101 0.000 1.485 526 I CB 0.020 38.127 38.000 0.179 0.000 1.103 526 I HN 0.165 nan 8.210 nan 0.000 0.446 527 K N 0.492 120.911 120.400 0.032 0.000 2.186 527 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 527 K C 0.779 177.389 176.600 0.018 0.000 1.052 527 K CA 0.365 56.669 56.287 0.029 0.000 0.965 527 K CB 0.215 32.723 32.500 0.013 0.000 0.746 527 K HN 0.049 nan 8.250 nan 0.000 0.457 528 K N 1.148 121.546 120.400 -0.002 0.000 2.229 528 K HA -0.049 4.271 4.320 -0.000 0.000 0.250 528 K C 0.496 177.110 176.600 0.023 0.000 1.016 528 K CA 0.767 57.051 56.287 -0.005 0.000 0.866 528 K CB 0.349 32.831 32.500 -0.030 0.000 1.028 528 K HN 0.129 nan 8.250 nan 0.000 0.514 529 E N 0.002 120.215 120.200 0.023 0.000 2.601 529 E HA 0.116 4.466 4.350 -0.000 0.000 0.219 529 E C -0.711 175.916 176.600 0.044 0.000 0.964 529 E CA 0.090 56.512 56.400 0.037 0.000 1.050 529 E CB 0.770 30.488 29.700 0.028 0.000 1.068 529 E HN 0.260 nan 8.360 nan 0.000 0.496 530 K N 0.912 121.336 120.400 0.040 0.000 2.575 530 K HA 0.259 4.579 4.320 -0.000 0.000 0.271 530 K C -1.792 174.838 176.600 0.051 0.000 1.013 530 K CA -0.235 56.085 56.287 0.055 0.000 0.939 530 K CB 2.273 34.802 32.500 0.047 0.000 1.328 530 K HN -0.178 nan 8.250 nan 0.000 0.450 531 V N 3.155 123.114 119.914 0.074 0.000 2.638 531 V HA 0.446 4.566 4.120 -0.000 0.000 0.306 531 V C -1.375 174.802 176.094 0.139 0.000 1.052 531 V CA -0.931 61.407 62.300 0.064 0.000 0.885 531 V CB 1.826 33.650 31.823 0.002 0.000 0.999 531 V HN 0.710 nan 8.190 nan 0.000 0.424 532 Y N 4.970 125.270 120.300 -0.001 0.000 2.338 532 Y HA 0.764 5.314 4.550 -0.000 0.000 0.333 532 Y C -1.218 174.683 175.900 0.002 0.000 0.968 532 Y CA -0.912 57.195 58.100 0.011 0.000 1.123 532 Y CB 1.834 40.300 38.460 0.010 0.000 1.165 532 Y HN 0.608 nan 8.280 nan 0.000 0.452 533 L N 6.362 127.307 121.223 -0.463 0.000 2.318 533 L HA 0.869 5.209 4.340 -0.000 0.000 0.277 533 L C -0.819 175.800 176.870 -0.419 0.000 1.008 533 L CA -0.234 54.426 54.840 -0.299 0.000 0.846 533 L CB 0.795 42.764 42.059 -0.150 0.000 1.220 533 L HN 0.754 nan 8.230 nan 0.000 0.423 534 A N 3.987 126.669 122.820 -0.229 0.000 2.299 534 A HA 0.739 5.059 4.320 -0.000 0.000 0.332 534 A C -1.815 175.823 177.584 0.090 0.000 1.131 534 A CA -0.569 51.429 52.037 -0.066 0.000 0.844 534 A CB 0.829 19.901 19.000 0.121 0.000 1.251 534 A HN 0.783 nan 8.150 nan 0.000 0.486 535 W N 0.951 122.227 121.300 -0.041 0.000 2.702 535 W HA 0.575 5.235 4.660 -0.000 0.000 0.331 535 W C -1.210 175.317 176.519 0.013 0.000 1.049 535 W CA -0.564 56.770 57.345 -0.019 0.000 1.230 535 W CB 1.915 31.355 29.460 -0.033 0.000 1.408 535 W HN 0.799 nan 8.180 nan 0.000 0.492 536 V N 3.520 122.845 119.914 -0.982 0.000 2.841 536 V HA 0.662 4.782 4.120 -0.000 0.000 0.310 536 V C -2.659 172.529 176.094 -1.509 0.000 1.090 536 V CA -3.042 58.667 62.300 -0.984 0.000 0.930 536 V CB 1.453 33.057 31.823 -0.365 0.000 1.014 536 V HN 0.487 nan 8.190 nan 0.000 0.425 537 P HA 0.241 nan 4.420 nan 0.000 0.266 537 P C 0.063 177.138 177.300 -0.375 0.000 1.193 537 P CA 0.713 63.440 63.100 -0.621 0.000 0.770 537 P CB 0.406 31.997 31.700 -0.183 0.000 0.836 538 A N 3.063 125.755 122.820 -0.214 0.000 2.296 538 A HA 0.186 4.506 4.320 -0.000 0.000 0.264 538 A C 0.412 177.914 177.584 -0.136 0.000 1.097 538 A CA -0.301 51.596 52.037 -0.233 0.000 0.811 538 A CB -0.620 18.252 19.000 -0.213 0.000 1.072 538 A HN 0.753 nan 8.150 nan 0.000 0.495 539 H N -1.066 117.987 119.070 -0.029 0.000 2.379 539 H HA -0.142 4.414 4.556 0.000 0.000 0.326 539 H C -0.029 175.286 175.328 -0.022 0.000 1.005 539 H CA 1.497 57.533 56.048 -0.019 0.000 1.114 539 H CB -0.799 28.961 29.762 -0.004 0.000 1.505 539 H HN 0.532 nan 8.280 nan 0.000 0.391 540 K N -0.086 120.325 120.400 0.017 0.000 2.514 540 K HA 0.246 4.566 4.320 -0.000 0.000 0.207 540 K C 0.952 177.545 176.600 -0.012 0.000 1.035 540 K CA 0.493 56.782 56.287 0.005 0.000 1.113 540 K CB 0.439 32.926 32.500 -0.022 0.000 0.846 540 K HN 0.505 nan 8.250 nan 0.000 0.491 541 G N 2.068 110.862 108.800 -0.010 0.000 2.357 541 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.282 541 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.282 541 G C -0.151 174.722 174.900 -0.044 0.000 0.910 541 G CA 0.094 45.180 45.100 -0.024 0.000 1.267 541 G HN 0.181 nan 8.290 nan 0.000 0.476 542 I N 0.961 121.493 120.570 -0.064 0.000 2.331 542 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 542 I C 1.451 177.501 176.117 -0.112 0.000 0.998 542 I CA -0.519 60.741 61.300 -0.067 0.000 1.267 542 I CB 0.673 38.639 38.000 -0.058 0.000 1.386 542 I HN 0.354 nan 8.210 nan 0.000 0.476 543 G N 4.172 112.899 108.800 -0.121 0.000 2.134 543 G HA2 0.218 4.178 3.960 -0.000 0.000 0.253 543 G HA3 0.218 4.178 3.960 -0.000 0.000 0.253 543 G C 1.020 175.635 174.900 -0.476 0.000 0.960 543 G CA 0.684 45.656 45.100 -0.213 0.000 0.922 543 G HN 1.233 nan 8.290 nan 0.000 0.394 544 G N 2.897 111.343 108.800 -0.590 0.000 3.400 544 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.209 544 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.209 544 G C 1.461 176.072 174.900 -0.482 0.000 1.411 544 G CA 0.952 45.397 45.100 -1.092 0.000 0.917 544 G HN 0.977 nan 8.290 nan 0.000 0.570 545 N N 1.326 119.895 118.700 -0.219 0.000 2.104 545 N HA -0.062 4.678 4.740 -0.000 0.000 0.190 545 N C 1.921 177.394 175.510 -0.062 0.000 1.024 545 N CA 2.464 55.509 53.050 -0.009 0.000 0.853 545 N CB -0.262 38.220 38.487 -0.008 0.000 1.008 545 N HN 0.731 nan 8.380 nan 0.000 0.424 546 E N -0.159 119.983 120.200 -0.097 0.000 2.038 546 E HA -0.334 4.016 4.350 -0.000 0.000 0.195 546 E C 1.905 178.471 176.600 -0.057 0.000 1.000 546 E CA 1.414 57.775 56.400 -0.066 0.000 0.803 546 E CB -0.263 29.396 29.700 -0.067 0.000 0.750 546 E HN 0.390 nan 8.360 nan 0.000 0.448 547 Q N 0.429 120.176 119.800 -0.090 0.000 2.133 547 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 547 Q C 1.952 177.929 176.000 -0.038 0.000 0.991 547 Q CA 2.484 58.244 55.803 -0.071 0.000 0.867 547 Q CB -0.373 28.303 28.738 -0.103 0.000 0.911 547 Q HN 0.298 nan 8.270 nan 0.000 0.417 548 V N 0.515 120.415 119.914 -0.022 0.000 2.871 548 V HA -0.108 4.012 4.120 -0.000 0.000 0.256 548 V C 1.799 177.898 176.094 0.009 0.000 1.082 548 V CA 1.537 63.844 62.300 0.013 0.000 1.105 548 V CB -0.674 31.190 31.823 0.068 0.000 0.713 548 V HN 0.387 nan 8.190 nan 0.000 0.473 549 D N 0.678 121.078 120.400 0.000 0.000 2.117 549 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 549 D C 1.100 177.414 176.300 0.024 0.000 0.982 549 D CA 0.683 54.690 54.000 0.013 0.000 0.828 549 D CB -0.123 40.685 40.800 0.012 0.000 0.967 549 D HN 0.394 nan 8.370 nan 0.000 0.464 550 K N -0.308 120.098 120.400 0.009 0.000 2.569 550 K HA 0.279 4.599 4.320 -0.000 0.000 0.280 550 K C 0.215 176.818 176.600 0.004 0.000 0.984 550 K CA 0.579 56.870 56.287 0.005 0.000 1.064 550 K CB 0.077 32.572 32.500 -0.009 0.000 0.866 550 K HN 0.187 nan 8.250 nan 0.000 0.492 551 L N 0.000 121.227 121.223 0.006 0.000 2.949 551 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 551 L CA 0.000 nan 54.840 nan 0.000 0.813 551 L CB 0.000 nan 42.059 nan 0.000 0.961 551 L HN 0.000 nan 8.230 nan 0.000 0.502