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 1ikx_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD 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 NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.363 177.300 0.106 0.000 1.155 1 P CA 0.000 63.147 63.100 0.078 0.000 0.800 1 P CB 0.000 31.740 31.700 0.066 0.000 0.726 2 I N 0.083 120.714 120.570 0.101 0.000 2.540 2 I HA 0.273 4.443 4.170 -0.000 0.000 0.280 2 I C -0.015 176.178 176.117 0.127 0.000 1.083 2 I CA -0.582 60.791 61.300 0.122 0.000 1.080 2 I CB 1.768 39.828 38.000 0.101 0.000 1.205 2 I HN 0.377 nan 8.210 nan 0.000 0.459 3 S N 7.501 123.299 115.700 0.162 0.000 2.715 3 S HA 0.020 4.490 4.470 -0.000 0.000 0.318 3 S C -1.050 173.672 174.600 0.204 0.000 1.242 3 S CA -0.406 57.920 58.200 0.210 0.000 1.044 3 S CB 0.543 63.883 63.200 0.233 0.000 0.760 3 S HN 0.521 nan 8.310 nan 0.000 0.501 4 P HA 0.086 nan 4.420 nan 0.000 0.245 4 P C 0.708 178.179 177.300 0.285 0.000 1.212 4 P CA 0.004 63.204 63.100 0.166 0.000 0.774 4 P CB -0.156 31.555 31.700 0.018 0.000 0.999 5 I N 0.830 121.634 120.570 0.391 0.000 2.872 5 I HA -0.043 4.127 4.170 -0.000 0.000 0.291 5 I C 0.919 177.130 176.117 0.156 0.000 1.216 5 I CA -0.190 61.284 61.300 0.289 0.000 1.424 5 I CB 0.573 38.623 38.000 0.083 0.000 1.351 5 I HN -0.140 nan 8.210 nan 0.000 0.592 6 E N 4.728 124.997 120.200 0.115 0.000 2.438 6 E HA 0.049 4.399 4.350 -0.000 0.000 0.261 6 E C -0.575 176.065 176.600 0.066 0.000 1.103 6 E CA -0.036 56.414 56.400 0.083 0.000 0.959 6 E CB 0.590 30.328 29.700 0.064 0.000 0.958 6 E HN 0.595 nan 8.360 nan 0.000 0.447 7 T N -0.408 114.187 114.554 0.068 0.000 2.934 7 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 7 T C -0.270 174.467 174.700 0.062 0.000 1.005 7 T CA -1.015 61.127 62.100 0.069 0.000 1.041 7 T CB 1.183 70.101 68.868 0.084 0.000 1.042 7 T HN 0.199 nan 8.240 nan 0.000 0.505 8 V N 4.670 124.623 119.914 0.066 0.000 2.385 8 V HA 0.342 4.462 4.120 -0.000 0.000 0.269 8 V C -1.754 174.391 176.094 0.085 0.000 1.043 8 V CA -1.761 60.581 62.300 0.070 0.000 0.906 8 V CB 0.613 32.482 31.823 0.076 0.000 0.995 8 V HN 0.843 nan 8.190 nan 0.000 0.467 9 P HA 0.227 nan 4.420 nan 0.000 0.271 9 P C -0.700 176.638 177.300 0.063 0.000 1.216 9 P CA 0.277 63.420 63.100 0.072 0.000 0.771 9 P CB 1.528 33.261 31.700 0.055 0.000 0.864 10 V N 0.768 120.714 119.914 0.054 0.000 3.007 10 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 10 V C -0.872 175.238 176.094 0.026 0.000 1.120 10 V CA -0.897 61.397 62.300 -0.010 0.000 0.980 10 V CB 2.703 34.503 31.823 -0.038 0.000 1.033 10 V HN 0.454 nan 8.190 nan 0.000 0.429 11 K N 2.539 122.937 120.400 -0.004 0.000 2.372 11 K HA 0.722 5.042 4.320 -0.000 0.000 0.251 11 K C -1.424 175.221 176.600 0.075 0.000 1.055 11 K CA -0.983 55.350 56.287 0.077 0.000 0.879 11 K CB 2.487 35.002 32.500 0.025 0.000 1.384 11 K HN 0.696 nan 8.250 nan 0.000 0.465 12 L N 1.587 122.831 121.223 0.035 0.000 2.360 12 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 12 L C 0.187 177.050 176.870 -0.012 0.000 1.057 12 L CA -0.838 54.003 54.840 0.003 0.000 0.803 12 L CB 1.013 42.995 42.059 -0.129 0.000 1.207 12 L HN 0.416 nan 8.230 nan 0.000 0.445 13 K N 2.259 122.655 120.400 -0.007 0.000 2.559 13 K HA 0.022 4.342 4.320 -0.000 0.000 0.279 13 K C -2.150 174.447 176.600 -0.005 0.000 0.967 13 K CA -1.059 55.220 56.287 -0.014 0.000 1.000 13 K CB -0.099 32.400 32.500 -0.002 0.000 0.890 13 K HN 0.353 nan 8.250 nan 0.000 0.501 14 P HA -0.095 nan 4.420 nan 0.000 0.260 14 P C 0.205 177.513 177.300 0.013 0.000 1.185 14 P CA 0.592 63.694 63.100 0.003 0.000 0.763 14 P CB 0.249 31.948 31.700 -0.001 0.000 0.776 15 G N 2.780 111.593 108.800 0.021 0.000 2.256 15 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.272 15 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.272 15 G C -0.175 174.746 174.900 0.035 0.000 1.076 15 G CA -0.153 44.964 45.100 0.029 0.000 0.882 15 G HN 0.532 nan 8.290 nan 0.000 0.497 16 M N -0.641 118.981 119.600 0.036 0.000 2.531 16 M HA 0.474 4.954 4.480 -0.000 0.000 0.286 16 M C -0.972 175.359 176.300 0.051 0.000 1.232 16 M CA -0.856 54.469 55.300 0.042 0.000 0.877 16 M CB 2.271 34.889 32.600 0.029 0.000 1.726 16 M HN 0.162 nan 8.290 nan 0.000 0.463 17 D N 0.365 120.816 120.400 0.085 0.000 2.299 17 D HA 0.616 5.256 4.640 -0.000 0.000 0.243 17 D C 0.267 176.643 176.300 0.126 0.000 0.982 17 D CA 0.114 54.204 54.000 0.150 0.000 0.924 17 D CB 1.714 42.647 40.800 0.221 0.000 1.238 17 D HN 0.687 nan 8.370 nan 0.000 0.484 18 G N 1.083 109.956 108.800 0.122 0.000 2.855 18 G HA2 0.177 4.137 3.960 -0.000 0.000 0.248 18 G HA3 0.177 4.137 3.960 -0.000 0.000 0.248 18 G C -2.143 172.863 174.900 0.177 0.000 1.243 18 G CA -0.692 44.356 45.100 -0.086 0.000 0.881 18 G HN 0.512 nan 8.290 nan 0.000 0.598 19 P HA 0.340 nan 4.420 nan 0.000 0.281 19 P C -1.068 176.410 177.300 0.297 0.000 1.249 19 P CA -0.375 62.856 63.100 0.218 0.000 0.810 19 P CB 1.353 33.168 31.700 0.191 0.000 1.008 20 K N 1.254 121.780 120.400 0.210 0.000 3.200 20 K HA 0.308 4.628 4.320 -0.000 0.000 0.179 20 K C -1.011 175.659 176.600 0.117 0.000 1.153 20 K CA -0.407 55.979 56.287 0.164 0.000 0.836 20 K CB 1.153 33.735 32.500 0.135 0.000 1.051 20 K HN 0.163 nan 8.250 nan 0.000 0.594 21 V N 1.606 121.589 119.914 0.114 0.000 2.481 21 V HA 0.244 4.364 4.120 -0.000 0.000 0.286 21 V C 0.305 176.450 176.094 0.085 0.000 1.042 21 V CA -0.790 61.569 62.300 0.097 0.000 0.928 21 V CB 1.417 33.296 31.823 0.093 0.000 0.986 21 V HN 0.332 nan 8.190 nan 0.000 0.462 22 K N 3.183 123.638 120.400 0.092 0.000 2.382 22 K HA 0.124 4.444 4.320 -0.000 0.000 0.275 22 K C -0.098 176.565 176.600 0.104 0.000 1.009 22 K CA 0.146 56.485 56.287 0.086 0.000 0.970 22 K CB 0.476 33.033 32.500 0.095 0.000 0.934 22 K HN 0.694 nan 8.250 nan 0.000 0.479 23 Q N 4.445 124.287 119.800 0.071 0.000 2.337 23 Q HA 0.108 4.448 4.340 -0.000 0.000 0.255 23 Q C -1.251 174.824 176.000 0.124 0.000 0.997 23 Q CA -0.177 55.669 55.803 0.071 0.000 0.925 23 Q CB 0.340 29.093 28.738 0.025 0.000 1.212 23 Q HN 0.607 nan 8.270 nan 0.000 0.436 24 W N 6.555 127.863 121.300 0.014 0.000 2.190 24 W HA 0.263 4.923 4.660 -0.000 0.000 0.330 24 W C -2.274 174.282 176.519 0.061 0.000 1.299 24 W CA -1.993 55.391 57.345 0.064 0.000 1.215 24 W CB 0.632 30.177 29.460 0.141 0.000 1.147 24 W HN 0.559 nan 8.180 nan 0.000 0.563 25 P HA -0.051 nan 4.420 nan 0.000 0.262 25 P C -0.679 176.677 177.300 0.093 0.000 1.182 25 P CA 0.327 63.310 63.100 -0.196 0.000 0.761 25 P CB 0.382 31.846 31.700 -0.394 0.000 0.795 26 L N 3.047 124.319 121.223 0.082 0.000 2.330 26 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 26 L C 0.814 177.719 176.870 0.058 0.000 1.013 26 L CA -0.255 54.658 54.840 0.123 0.000 0.816 26 L CB 1.393 43.511 42.059 0.098 0.000 1.287 26 L HN 0.363 nan 8.230 nan 0.000 0.435 27 T N -2.005 112.587 114.554 0.063 0.000 2.813 27 T HA 0.189 4.539 4.350 -0.000 0.000 0.297 27 T C 0.983 175.678 174.700 -0.010 0.000 1.036 27 T CA -0.435 61.686 62.100 0.034 0.000 1.044 27 T CB 0.600 69.502 68.868 0.057 0.000 0.993 27 T HN 0.626 nan 8.240 nan 0.000 0.535 28 E N 0.962 121.156 120.200 -0.009 0.000 2.058 28 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 28 E C 2.141 178.702 176.600 -0.064 0.000 0.997 28 E CA 1.947 58.330 56.400 -0.028 0.000 0.801 28 E CB -0.110 29.584 29.700 -0.010 0.000 0.746 28 E HN 0.917 nan 8.360 nan 0.000 0.450 29 E N 1.406 121.575 120.200 -0.053 0.000 2.058 29 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 29 E C 1.941 178.316 176.600 -0.374 0.000 0.997 29 E CA 1.189 57.530 56.400 -0.099 0.000 0.801 29 E CB -0.265 29.469 29.700 0.056 0.000 0.746 29 E HN 0.118 nan 8.360 nan 0.000 0.450 30 K N 0.644 120.803 120.400 -0.402 0.000 2.097 30 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 30 K C 2.250 178.623 176.600 -0.379 0.000 1.049 30 K CA 1.414 57.341 56.287 -0.600 0.000 0.933 30 K CB -0.214 32.130 32.500 -0.261 0.000 0.717 30 K HN 0.184 nan 8.250 nan 0.000 0.442 31 I N 1.322 121.771 120.570 -0.201 0.000 2.142 31 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 31 I C 2.615 178.656 176.117 -0.126 0.000 1.078 31 I CA 1.253 62.483 61.300 -0.118 0.000 1.343 31 I CB -0.288 37.672 38.000 -0.067 0.000 1.046 31 I HN 0.156 nan 8.210 nan 0.000 0.405 32 K N 1.455 121.772 120.400 -0.138 0.000 2.063 32 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 32 K C 2.192 178.712 176.600 -0.134 0.000 1.048 32 K CA 1.646 57.871 56.287 -0.103 0.000 0.928 32 K CB -0.133 32.321 32.500 -0.077 0.000 0.713 32 K HN 0.307 nan 8.250 nan 0.000 0.442 33 A N 1.525 124.174 122.820 -0.286 0.000 1.883 33 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 33 A C 2.156 179.652 177.584 -0.146 0.000 1.186 33 A CA 1.511 53.356 52.037 -0.320 0.000 0.624 33 A CB -0.713 17.730 19.000 -0.929 0.000 0.822 33 A HN 0.339 nan 8.150 nan 0.000 0.444 34 L N -0.476 120.663 121.223 -0.142 0.000 2.042 34 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 34 L C 2.559 179.446 176.870 0.028 0.000 1.076 34 L CA 1.281 56.109 54.840 -0.019 0.000 0.749 34 L CB -0.752 41.315 42.059 0.013 0.000 0.893 34 L HN 0.265 nan 8.230 nan 0.000 0.432 35 V N -0.125 119.797 119.914 0.013 0.000 2.261 35 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 35 V C 2.383 178.495 176.094 0.032 0.000 1.047 35 V CA 1.842 64.168 62.300 0.044 0.000 1.015 35 V CB -0.493 31.341 31.823 0.018 0.000 0.642 35 V HN 0.450 nan 8.190 nan 0.000 0.446 36 E N -0.284 119.923 120.200 0.011 0.000 2.160 36 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 36 E C 2.127 178.741 176.600 0.024 0.000 0.991 36 E CA 1.499 57.911 56.400 0.020 0.000 0.810 36 E CB -0.163 29.552 29.700 0.025 0.000 0.742 36 E HN 0.595 nan 8.360 nan 0.000 0.466 37 I N 0.203 120.788 120.570 0.025 0.000 2.277 37 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 37 I C 2.437 178.540 176.117 -0.024 0.000 1.094 37 I CA 0.502 61.819 61.300 0.027 0.000 1.393 37 I CB -0.223 37.810 38.000 0.055 0.000 1.078 37 I HN 0.214 nan 8.210 nan 0.000 0.417 38 C N 0.477 119.748 119.300 -0.048 0.000 2.429 38 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 38 C C 3.028 177.885 174.990 -0.223 0.000 1.262 38 C CA 1.423 60.314 59.018 -0.211 0.000 1.733 38 C CB -1.152 26.451 27.740 -0.228 0.000 2.010 38 C HN 0.507 nan 8.230 nan 0.000 0.483 39 T N 0.722 115.240 114.554 -0.060 0.000 2.665 39 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 39 T C 1.716 176.390 174.700 -0.044 0.000 1.035 39 T CA 2.137 64.228 62.100 -0.014 0.000 1.151 39 T CB -0.369 68.514 68.868 0.024 0.000 0.862 39 T HN 0.601 nan 8.240 nan 0.000 0.438 40 E N 1.124 121.302 120.200 -0.037 0.000 2.077 40 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 40 E C 2.106 178.672 176.600 -0.057 0.000 0.989 40 E CA 1.387 57.771 56.400 -0.026 0.000 0.800 40 E CB -0.417 29.283 29.700 0.001 0.000 0.746 40 E HN 0.508 nan 8.360 nan 0.000 0.452 41 M N 0.008 119.543 119.600 -0.110 0.000 2.229 41 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 41 M C 2.283 178.467 176.300 -0.194 0.000 1.063 41 M CA 1.470 56.668 55.300 -0.169 0.000 1.114 41 M CB -0.202 32.237 32.600 -0.268 0.000 1.387 41 M HN 0.175 nan 8.290 nan 0.000 0.420 42 E N 0.959 121.036 120.200 -0.205 0.000 2.268 42 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 42 E C 1.457 178.016 176.600 -0.068 0.000 0.995 42 E CA 0.915 57.224 56.400 -0.152 0.000 0.836 42 E CB 0.199 29.843 29.700 -0.093 0.000 0.763 42 E HN 0.480 nan 8.360 nan 0.000 0.491 43 K N -0.027 120.342 120.400 -0.052 0.000 2.365 43 K HA -0.020 4.300 4.320 -0.000 0.000 0.197 43 K C 1.110 177.698 176.600 -0.020 0.000 1.042 43 K CA 0.615 56.888 56.287 -0.024 0.000 0.987 43 K CB 0.247 32.740 32.500 -0.012 0.000 0.779 43 K HN 0.136 nan 8.250 nan 0.000 0.484 44 E N -0.416 119.765 120.200 -0.032 0.000 2.501 44 E HA 0.087 4.437 4.350 -0.000 0.000 0.201 44 E C 0.692 177.279 176.600 -0.020 0.000 1.016 44 E CA 0.147 56.538 56.400 -0.015 0.000 0.920 44 E CB 0.942 30.641 29.700 -0.003 0.000 1.023 44 E HN 0.409 nan 8.360 nan 0.000 0.474 45 G N 1.969 110.745 108.800 -0.041 0.000 2.241 45 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 45 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 45 G C 1.214 176.073 174.900 -0.067 0.000 0.998 45 G CA 0.526 45.605 45.100 -0.034 0.000 0.621 45 G HN 0.073 nan 8.290 nan 0.000 0.519 46 K N 0.587 120.913 120.400 -0.123 0.000 2.059 46 K HA -0.037 4.283 4.320 -0.000 0.000 0.212 46 K C 1.709 178.144 176.600 -0.274 0.000 1.050 46 K CA 2.026 58.178 56.287 -0.224 0.000 0.927 46 K CB -0.565 31.690 32.500 -0.409 0.000 0.714 46 K HN 0.998 nan 8.250 nan 0.000 0.447 47 I N -3.593 116.790 120.570 -0.312 0.000 3.042 47 I HA 0.450 4.620 4.170 -0.000 0.000 0.310 47 I C -0.800 175.230 176.117 -0.145 0.000 1.117 47 I CA -0.938 60.168 61.300 -0.323 0.000 1.003 47 I CB 2.619 40.280 38.000 -0.565 0.000 1.228 47 I HN -0.291 nan 8.210 nan 0.000 0.443 48 S N 1.496 117.191 115.700 -0.008 0.000 2.549 48 S HA 0.440 4.910 4.470 -0.000 0.000 0.280 48 S C -0.898 173.818 174.600 0.193 0.000 1.109 48 S CA -0.937 57.318 58.200 0.091 0.000 0.905 48 S CB 2.063 65.279 63.200 0.027 0.000 1.081 48 S HN 0.498 nan 8.310 nan 0.000 0.477 49 K N 2.116 122.587 120.400 0.119 0.000 2.350 49 K HA 0.335 4.655 4.320 -0.000 0.000 0.279 49 K C 0.415 176.945 176.600 -0.117 0.000 1.027 49 K CA 0.035 56.253 56.287 -0.114 0.000 0.969 49 K CB 0.303 32.704 32.500 -0.164 0.000 0.954 49 K HN 0.596 nan 8.250 nan 0.000 0.474 50 I N -2.023 118.439 120.570 -0.181 0.000 4.449 50 I HA 0.536 4.706 4.170 -0.000 0.000 0.240 50 I C 1.083 177.111 176.117 -0.147 0.000 0.615 50 I CA -0.167 61.054 61.300 -0.132 0.000 2.872 50 I CB 0.237 38.171 38.000 -0.110 0.000 1.471 50 I HN 0.687 nan 8.210 nan 0.000 0.526 51 G N 0.290 109.001 108.800 -0.148 0.000 3.405 51 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.246 51 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.246 51 G C -2.141 172.692 174.900 -0.111 0.000 1.852 51 G CA -0.182 44.835 45.100 -0.138 0.000 1.510 51 G HN 0.513 nan 8.290 nan 0.000 0.570 52 P HA 0.232 nan 4.420 nan 0.000 0.113 52 P C 0.173 177.420 177.300 -0.089 0.000 0.708 52 P CA 1.654 64.705 63.100 -0.083 0.000 1.193 52 P CB -0.689 30.968 31.700 -0.071 0.000 1.567 53 E N 1.741 121.883 120.200 -0.096 0.000 2.202 53 E HA -0.322 4.028 4.350 -0.000 0.000 0.169 53 E C -0.497 176.018 176.600 -0.142 0.000 1.536 53 E CA 0.203 56.536 56.400 -0.112 0.000 0.664 53 E CB -1.303 28.337 29.700 -0.101 0.000 1.064 53 E HN 0.481 nan 8.360 nan 0.000 0.327 54 N N 3.182 121.796 118.700 -0.144 0.000 3.105 54 N HA 0.196 4.936 4.740 -0.000 0.000 0.256 54 N C -1.242 174.125 175.510 -0.238 0.000 1.174 54 N CA -1.523 51.429 53.050 -0.164 0.000 1.030 54 N CB 0.740 39.176 38.487 -0.085 0.000 1.305 54 N HN 0.116 nan 8.380 nan 0.000 0.509 55 P HA -0.241 nan 4.420 nan 0.000 0.220 55 P C -0.540 176.552 177.300 -0.346 0.000 1.144 55 P CA 1.303 64.159 63.100 -0.407 0.000 0.808 55 P CB -0.114 31.264 31.700 -0.536 0.000 0.763 56 Y N 0.462 120.747 120.300 -0.026 0.000 2.309 56 Y HA 0.465 5.015 4.550 -0.000 0.000 0.327 56 Y C 1.102 177.015 175.900 0.023 0.000 1.172 56 Y CA -0.663 57.443 58.100 0.010 0.000 1.280 56 Y CB 0.154 38.610 38.460 -0.008 0.000 1.234 56 Y HN -0.076 nan 8.280 nan 0.000 0.512 57 N N -0.251 118.585 118.700 0.226 0.000 2.446 57 N HA 0.486 5.226 4.740 -0.000 0.000 0.272 57 N C -1.916 173.692 175.510 0.164 0.000 1.127 57 N CA -0.487 52.659 53.050 0.161 0.000 0.896 57 N CB 1.593 40.133 38.487 0.089 0.000 1.658 57 N HN 0.524 nan 8.380 nan 0.000 0.483 58 T N 3.205 117.857 114.554 0.164 0.000 2.841 58 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 58 T C -2.806 171.890 174.700 -0.006 0.000 0.991 58 T CA -0.979 61.169 62.100 0.081 0.000 0.966 58 T CB 1.953 70.852 68.868 0.051 0.000 0.962 58 T HN 0.376 nan 8.240 nan 0.000 0.438 59 P HA 0.209 nan 4.420 nan 0.000 0.266 59 P C -0.512 176.526 177.300 -0.437 0.000 1.195 59 P CA -0.229 62.730 63.100 -0.235 0.000 0.768 59 P CB 0.642 32.200 31.700 -0.237 0.000 0.838 60 V N 0.239 119.849 119.914 -0.508 0.000 3.001 60 V HA 0.764 4.884 4.120 -0.000 0.000 0.314 60 V C -0.692 174.990 176.094 -0.687 0.000 1.099 60 V CA -0.713 61.296 62.300 -0.485 0.000 0.989 60 V CB 1.673 33.398 31.823 -0.163 0.000 1.040 60 V HN 0.338 nan 8.190 nan 0.000 0.434 61 F N 0.056 120.014 119.950 0.014 0.000 2.894 61 F HA 1.000 5.527 4.527 -0.000 0.000 0.332 61 F C 0.191 176.026 175.800 0.057 0.000 1.192 61 F CA -0.395 57.631 58.000 0.044 0.000 0.980 61 F CB 1.663 40.691 39.000 0.046 0.000 1.448 61 F HN 0.993 nan 8.300 nan 0.000 0.514 62 A N 1.054 124.087 122.820 0.355 0.000 2.513 62 A HA 0.749 5.069 4.320 -0.000 0.000 0.296 62 A C -1.929 175.981 177.584 0.544 0.000 1.052 62 A CA -0.362 51.879 52.037 0.339 0.000 0.714 62 A CB 1.379 20.447 19.000 0.114 0.000 1.279 62 A HN 0.756 nan 8.150 nan 0.000 0.397 63 I N 1.127 122.004 120.570 0.510 0.000 2.934 63 I HA 0.437 4.607 4.170 -0.000 0.000 0.306 63 I C -0.606 175.536 176.117 0.042 0.000 1.110 63 I CA -0.981 60.501 61.300 0.303 0.000 1.019 63 I CB 1.993 40.068 38.000 0.125 0.000 1.227 63 I HN 0.588 nan 8.210 nan 0.000 0.434 64 K N 4.748 124.954 120.400 -0.325 0.000 2.378 64 K HA 0.084 4.404 4.320 -0.000 0.000 0.288 64 K C -0.257 176.205 176.600 -0.231 0.000 1.057 64 K CA -0.216 55.768 56.287 -0.506 0.000 0.971 64 K CB 0.762 32.936 32.500 -0.543 0.000 0.975 64 K HN 0.366 nan 8.250 nan 0.000 0.475 65 K N 2.354 122.646 120.400 -0.179 0.000 2.229 65 K HA -0.054 4.266 4.320 -0.000 0.000 0.250 65 K C 0.183 176.723 176.600 -0.100 0.000 1.016 65 K CA 0.154 56.386 56.287 -0.092 0.000 0.866 65 K CB 0.457 32.922 32.500 -0.057 0.000 1.028 65 K HN 0.159 nan 8.250 nan 0.000 0.514 66 K N 2.027 122.387 120.400 -0.067 0.000 2.550 66 K HA -0.144 4.176 4.320 -0.000 0.000 0.280 66 K C -0.061 176.498 176.600 -0.068 0.000 0.987 66 K CA 1.434 57.684 56.287 -0.062 0.000 1.048 66 K CB -0.062 32.411 32.500 -0.044 0.000 0.879 66 K HN 0.818 nan 8.250 nan 0.000 0.491 67 D N 1.096 121.455 120.400 -0.068 0.000 2.880 67 D HA -0.249 4.391 4.640 -0.000 0.000 0.198 67 D C -0.448 175.799 176.300 -0.089 0.000 1.059 67 D CA 1.978 55.938 54.000 -0.066 0.000 1.019 67 D CB -0.929 39.841 40.800 -0.050 0.000 1.112 67 D HN 0.683 nan 8.370 nan 0.000 0.424 68 S N -2.312 113.314 115.700 -0.122 0.000 3.968 68 S HA -0.208 4.262 4.470 -0.000 0.000 0.373 68 S C 0.977 175.480 174.600 -0.162 0.000 0.974 68 S CA 1.655 59.745 58.200 -0.183 0.000 1.124 68 S CB -1.644 61.446 63.200 -0.183 0.000 0.862 68 S HN 0.499 nan 8.310 nan 0.000 0.492 69 T N 1.400 115.879 114.554 -0.125 0.000 2.925 69 T HA 0.207 4.557 4.350 -0.000 0.000 0.245 69 T C 0.690 175.344 174.700 -0.077 0.000 1.025 69 T CA 0.787 62.839 62.100 -0.080 0.000 1.149 69 T CB 0.057 68.898 68.868 -0.045 0.000 0.866 69 T HN 0.610 nan 8.240 nan 0.000 0.437 70 K N -0.449 119.903 120.400 -0.080 0.000 2.482 70 K HA 0.422 4.742 4.320 -0.000 0.000 0.257 70 K C -1.652 174.931 176.600 -0.028 0.000 0.969 70 K CA -0.841 55.438 56.287 -0.012 0.000 0.842 70 K CB 1.818 34.349 32.500 0.052 0.000 1.359 70 K HN 0.078 nan 8.250 nan 0.000 0.441 71 W N 1.339 122.657 121.300 0.030 0.000 2.161 71 W HA 0.356 5.016 4.660 -0.000 0.000 0.344 71 W C 0.479 177.022 176.519 0.040 0.000 1.262 71 W CA -0.053 57.313 57.345 0.036 0.000 1.270 71 W CB 0.664 30.151 29.460 0.045 0.000 1.126 71 W HN 0.299 nan 8.180 nan 0.000 0.598 72 R N 2.188 122.885 120.500 0.328 0.000 2.621 72 R HA 0.277 4.617 4.340 -0.000 0.000 0.292 72 R C -0.845 175.585 176.300 0.216 0.000 0.969 72 R CA -0.957 55.267 56.100 0.208 0.000 0.887 72 R CB 1.266 31.643 30.300 0.128 0.000 1.180 72 R HN 0.448 nan 8.270 nan 0.000 0.450 73 K N 4.753 125.251 120.400 0.164 0.000 2.285 73 K HA 0.171 4.491 4.320 -0.000 0.000 0.286 73 K C -1.162 175.499 176.600 0.100 0.000 1.072 73 K CA -0.423 55.937 56.287 0.122 0.000 0.913 73 K CB 0.671 33.220 32.500 0.082 0.000 1.067 73 K HN 0.382 nan 8.250 nan 0.000 0.479 74 L N 5.849 127.135 121.223 0.106 0.000 2.272 74 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 74 L C -1.214 175.642 176.870 -0.023 0.000 1.032 74 L CA -0.493 54.403 54.840 0.093 0.000 0.810 74 L CB 1.625 43.796 42.059 0.188 0.000 1.205 74 L HN 0.346 nan 8.230 nan 0.000 0.422 75 V N 3.926 123.760 119.914 -0.133 0.000 2.328 75 V HA 0.232 4.352 4.120 -0.000 0.000 0.278 75 V C -0.426 175.418 176.094 -0.417 0.000 1.021 75 V CA -0.728 61.314 62.300 -0.430 0.000 0.838 75 V CB 1.365 32.742 31.823 -0.742 0.000 0.999 75 V HN 0.702 nan 8.190 nan 0.000 0.447 76 D N 3.760 123.979 120.400 -0.302 0.000 2.374 76 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 76 D C 0.389 176.604 176.300 -0.142 0.000 1.229 76 D CA 0.108 54.047 54.000 -0.101 0.000 0.895 76 D CB 0.249 41.079 40.800 0.049 0.000 1.046 76 D HN 0.459 nan 8.370 nan 0.000 0.498 77 F N 2.187 122.190 119.950 0.089 0.000 2.732 77 F HA 0.216 4.743 4.527 -0.000 0.000 0.303 77 F C 2.177 178.052 175.800 0.125 0.000 1.110 77 F CA -0.511 57.559 58.000 0.115 0.000 1.355 77 F CB 0.182 39.279 39.000 0.161 0.000 1.081 77 F HN 0.290 nan 8.300 nan 0.000 0.565 78 R N 0.419 121.066 120.500 0.245 0.000 2.134 78 R HA -0.235 4.105 4.340 -0.000 0.000 0.248 78 R C 2.007 178.414 176.300 0.177 0.000 1.143 78 R CA 1.740 57.948 56.100 0.181 0.000 0.957 78 R CB -0.305 30.071 30.300 0.127 0.000 0.867 78 R HN 0.200 nan 8.270 nan 0.000 0.441 79 E N 0.486 120.793 120.200 0.178 0.000 2.106 79 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 79 E C 1.885 178.599 176.600 0.191 0.000 0.984 79 E CA 0.795 57.292 56.400 0.162 0.000 0.806 79 E CB -0.148 29.640 29.700 0.147 0.000 0.750 79 E HN 0.135 nan 8.360 nan 0.000 0.458 80 L N 1.541 122.924 121.223 0.268 0.000 2.044 80 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 80 L C 1.555 178.599 176.870 0.290 0.000 1.075 80 L CA 1.528 56.535 54.840 0.279 0.000 0.747 80 L CB -0.746 41.531 42.059 0.364 0.000 0.903 80 L HN -0.009 nan 8.230 nan 0.000 0.435 81 N N 0.264 119.144 118.700 0.300 0.000 2.192 81 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 81 N C 1.737 177.331 175.510 0.141 0.000 1.013 81 N CA 1.499 54.675 53.050 0.210 0.000 0.863 81 N CB -0.218 38.358 38.487 0.149 0.000 0.990 81 N HN 0.458 nan 8.380 nan 0.000 0.430 82 K N 0.423 120.902 120.400 0.132 0.000 2.057 82 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 82 K C 1.717 178.368 176.600 0.086 0.000 1.050 82 K CA 0.911 57.253 56.287 0.092 0.000 0.935 82 K CB -0.007 32.545 32.500 0.086 0.000 0.715 82 K HN 0.114 nan 8.250 nan 0.000 0.439 83 R N 0.516 121.079 120.500 0.104 0.000 2.313 83 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 83 R C -0.001 176.355 176.300 0.093 0.000 0.958 83 R CA 0.360 56.506 56.100 0.076 0.000 1.047 83 R CB 0.259 30.591 30.300 0.053 0.000 0.955 83 R HN 0.014 nan 8.270 nan 0.000 0.481 84 T N 1.807 116.453 114.554 0.154 0.000 2.845 84 T HA 0.098 4.448 4.350 -0.000 0.000 0.288 84 T C 0.047 174.783 174.700 0.061 0.000 0.980 84 T CA -0.757 61.464 62.100 0.202 0.000 1.071 84 T CB 1.421 70.501 68.868 0.354 0.000 0.941 84 T HN 0.245 nan 8.240 nan 0.000 0.487 85 Q N 2.388 122.169 119.800 -0.032 0.000 2.539 85 Q HA 0.085 4.425 4.340 -0.000 0.000 0.268 85 Q C -0.794 175.034 176.000 -0.286 0.000 1.109 85 Q CA -0.208 55.476 55.803 -0.198 0.000 0.968 85 Q CB 0.408 28.936 28.738 -0.350 0.000 1.309 85 Q HN 0.430 nan 8.270 nan 0.000 0.497 86 D N 0.439 120.674 120.400 -0.274 0.000 2.329 86 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 86 D C -0.791 175.267 176.300 -0.403 0.000 1.111 86 D CA 0.041 53.932 54.000 -0.181 0.000 0.941 86 D CB 0.530 41.283 40.800 -0.079 0.000 1.169 86 D HN 0.383 nan 8.370 nan 0.000 0.441 87 F N -0.532 119.373 119.950 -0.075 0.000 2.654 87 F HA 0.316 4.843 4.527 -0.000 0.000 0.334 87 F C 0.235 176.075 175.800 0.067 0.000 1.078 87 F CA -1.182 56.797 58.000 -0.035 0.000 0.986 87 F CB 1.265 40.186 39.000 -0.131 0.000 1.362 87 F HN 0.240 nan 8.300 nan 0.000 0.498 88 W N 2.255 123.626 121.300 0.118 0.000 2.202 88 W HA 0.188 4.848 4.660 -0.000 0.000 0.332 88 W C -0.292 176.251 176.519 0.039 0.000 1.263 88 W CA -0.590 56.782 57.345 0.046 0.000 1.223 88 W CB 0.861 30.337 29.460 0.028 0.000 1.128 88 W HN 0.406 nan 8.180 nan 0.000 0.573 89 E N 2.460 122.135 120.200 -0.876 0.000 2.392 89 E HA -0.039 4.311 4.350 -0.000 0.000 0.264 89 E C 1.041 177.346 176.600 -0.490 0.000 1.024 89 E CA 0.059 56.065 56.400 -0.656 0.000 0.903 89 E CB 1.610 30.866 29.700 -0.740 0.000 0.963 89 E HN 0.384 nan 8.360 nan 0.000 0.432 90 V N 2.481 122.251 119.914 -0.241 0.000 2.427 90 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 90 V C 0.771 176.818 176.094 -0.079 0.000 1.051 90 V CA 1.578 63.807 62.300 -0.119 0.000 1.048 90 V CB -0.369 31.403 31.823 -0.084 0.000 0.666 90 V HN 0.538 nan 8.190 nan 0.000 0.456 91 Q N -0.990 118.748 119.800 -0.103 0.000 2.263 91 Q HA 0.421 4.761 4.340 -0.000 0.000 0.262 91 Q C -0.958 174.998 176.000 -0.073 0.000 0.984 91 Q CA -0.452 55.336 55.803 -0.024 0.000 0.813 91 Q CB 2.147 30.933 28.738 0.080 0.000 1.299 91 Q HN 0.118 nan 8.270 nan 0.000 0.428 92 L N 1.097 122.286 121.223 -0.056 0.000 2.700 92 L HA 0.464 4.804 4.340 -0.000 0.000 0.234 92 L C 0.570 177.442 176.870 0.004 0.000 1.156 92 L CA 0.276 55.077 54.840 -0.064 0.000 0.946 92 L CB 0.801 42.828 42.059 -0.053 0.000 1.216 92 L HN 0.696 nan 8.230 nan 0.000 0.493 93 G N -1.238 107.586 108.800 0.040 0.000 2.441 93 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 93 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 93 G C -2.022 172.946 174.900 0.112 0.000 1.393 93 G CA -0.392 44.745 45.100 0.061 0.000 0.796 93 G HN -0.241 nan 8.290 nan 0.000 0.494 94 I N 1.074 121.709 120.570 0.109 0.000 2.619 94 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 94 I C -2.184 173.977 176.117 0.072 0.000 1.100 94 I CA -2.097 59.306 61.300 0.172 0.000 1.043 94 I CB 1.717 39.836 38.000 0.199 0.000 1.239 94 I HN 0.260 nan 8.210 nan 0.000 0.420 95 P HA 0.164 nan 4.420 nan 0.000 0.268 95 P C -0.549 176.630 177.300 -0.202 0.000 1.205 95 P CA 0.120 63.088 63.100 -0.220 0.000 0.771 95 P CB 0.375 31.744 31.700 -0.552 0.000 0.858 96 H N 3.688 122.554 119.070 -0.339 0.000 2.489 96 H HA 0.192 4.748 4.556 -0.000 0.000 0.322 96 H C -1.774 173.190 175.328 -0.607 0.000 1.091 96 H CA -2.168 53.607 56.048 -0.455 0.000 1.291 96 H CB 1.424 30.918 29.762 -0.447 0.000 1.436 96 H HN 0.206 nan 8.280 nan 0.000 0.480 97 P HA -0.181 nan 4.420 nan 0.000 0.216 97 P C 1.094 178.134 177.300 -0.433 0.000 1.154 97 P CA 2.300 64.905 63.100 -0.826 0.000 0.865 97 P CB 0.031 30.829 31.700 -1.504 0.000 0.789 98 A N -0.620 121.996 122.820 -0.340 0.000 2.131 98 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 98 A C 2.233 180.010 177.584 0.321 0.000 1.158 98 A CA 1.788 53.917 52.037 0.153 0.000 0.665 98 A CB -1.577 17.617 19.000 0.324 0.000 0.795 98 A HN 0.331 nan 8.150 nan 0.000 0.460 99 G N -1.477 107.291 108.800 -0.053 0.000 3.042 99 G HA2 0.365 4.325 3.960 -0.000 0.000 0.212 99 G HA3 0.365 4.325 3.960 -0.000 0.000 0.212 99 G C 0.223 175.173 174.900 0.084 0.000 1.166 99 G CA -0.212 44.796 45.100 -0.155 0.000 0.767 99 G HN 0.284 nan 8.290 nan 0.000 0.546 100 L N 1.117 122.401 121.223 0.102 0.000 2.331 100 L HA 0.382 4.722 4.340 -0.000 0.000 0.278 100 L C 0.461 177.383 176.870 0.086 0.000 1.106 100 L CA -0.445 54.395 54.840 0.000 0.000 0.824 100 L CB 1.201 43.150 42.059 -0.182 0.000 1.142 100 L HN -0.045 nan 8.230 nan 0.000 0.443 101 K N 2.395 122.807 120.400 0.020 0.000 2.180 101 K HA 0.173 4.493 4.320 -0.000 0.000 0.251 101 K C 0.093 176.609 176.600 -0.139 0.000 1.014 101 K CA -0.402 55.901 56.287 0.027 0.000 0.913 101 K CB 0.411 32.914 32.500 0.006 0.000 1.008 101 K HN 0.239 nan 8.250 nan 0.000 0.490 102 K N 2.365 122.741 120.400 -0.041 0.000 2.349 102 K HA 0.108 4.428 4.320 -0.000 0.000 0.288 102 K C -0.805 175.745 176.600 -0.083 0.000 1.058 102 K CA 0.223 56.476 56.287 -0.057 0.000 0.953 102 K CB 0.155 32.710 32.500 0.091 0.000 0.997 102 K HN 0.578 nan 8.250 nan 0.000 0.477 103 N N 2.663 121.287 118.700 -0.126 0.000 2.319 103 N HA 0.151 4.891 4.740 -0.000 0.000 0.305 103 N C 0.586 176.063 175.510 -0.056 0.000 1.103 103 N CA -0.537 52.464 53.050 -0.083 0.000 0.815 103 N CB 2.028 40.457 38.487 -0.097 0.000 1.288 103 N HN 0.396 nan 8.380 nan 0.000 0.493 104 K N 0.159 120.525 120.400 -0.056 0.000 2.067 104 K HA 0.157 4.477 4.320 -0.000 0.000 0.203 104 K C -0.255 176.282 176.600 -0.106 0.000 1.048 104 K CA 0.853 57.107 56.287 -0.056 0.000 0.954 104 K CB 0.246 32.721 32.500 -0.043 0.000 0.737 104 K HN 0.385 nan 8.250 nan 0.000 0.444 105 S N -0.055 115.517 115.700 -0.213 0.000 2.526 105 S HA 0.478 4.948 4.470 -0.000 0.000 0.293 105 S C -1.591 172.754 174.600 -0.425 0.000 1.092 105 S CA -0.838 57.119 58.200 -0.405 0.000 0.980 105 S CB 2.513 65.258 63.200 -0.758 0.000 1.048 105 S HN 0.051 nan 8.310 nan 0.000 0.483 106 V N 3.170 122.991 119.914 -0.154 0.000 2.711 106 V HA 0.830 4.950 4.120 -0.000 0.000 0.304 106 V C -0.954 175.426 176.094 0.476 0.000 1.097 106 V CA -0.123 62.290 62.300 0.188 0.000 0.906 106 V CB 1.861 33.843 31.823 0.266 0.000 1.015 106 V HN 1.087 nan 8.190 nan 0.000 0.427 107 T N 3.235 118.089 114.554 0.499 0.000 2.903 107 T HA 0.761 5.111 4.350 -0.000 0.000 0.299 107 T C -1.067 173.628 174.700 -0.008 0.000 1.093 107 T CA -0.421 61.900 62.100 0.367 0.000 1.002 107 T CB 1.630 70.702 68.868 0.339 0.000 1.127 107 T HN 1.486 nan 8.240 nan 0.000 0.488 108 V N 4.075 123.829 119.914 -0.267 0.000 2.555 108 V HA 0.794 4.914 4.120 -0.000 0.000 0.302 108 V C -1.424 174.415 176.094 -0.424 0.000 1.038 108 V CA -1.110 60.848 62.300 -0.570 0.000 0.887 108 V CB 1.076 32.223 31.823 -1.126 0.000 0.991 108 V HN 0.973 nan 8.190 nan 0.000 0.434 109 L N 6.189 127.175 121.223 -0.396 0.000 2.365 109 L HA 0.674 5.014 4.340 -0.000 0.000 0.273 109 L C -1.109 175.624 176.870 -0.227 0.000 1.000 109 L CA -0.827 53.820 54.840 -0.322 0.000 0.819 109 L CB 2.067 43.931 42.059 -0.325 0.000 1.284 109 L HN 0.743 nan 8.230 nan 0.000 0.418 110 D N 2.207 122.510 120.400 -0.162 0.000 2.217 110 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 110 D C -0.338 175.919 176.300 -0.072 0.000 1.054 110 D CA -0.525 53.408 54.000 -0.112 0.000 0.838 110 D CB 2.617 43.356 40.800 -0.101 0.000 1.162 110 D HN 0.104 nan 8.370 nan 0.000 0.472 111 V N 2.013 121.903 119.914 -0.040 0.000 2.446 111 V HA 0.357 4.477 4.120 -0.000 0.000 0.276 111 V C 1.396 177.464 176.094 -0.043 0.000 1.030 111 V CA -0.268 62.034 62.300 0.003 0.000 1.033 111 V CB 0.728 32.623 31.823 0.119 0.000 0.993 111 V HN 0.711 nan 8.190 nan 0.000 0.477 112 G N 2.995 111.781 108.800 -0.024 0.000 2.432 112 G HA2 0.329 4.289 3.960 -0.000 0.000 0.257 112 G HA3 0.329 4.289 3.960 -0.000 0.000 0.257 112 G C 0.135 175.010 174.900 -0.042 0.000 1.238 112 G CA -0.319 44.756 45.100 -0.041 0.000 0.838 112 G HN 0.885 nan 8.290 nan 0.000 0.547 113 D N 0.579 120.919 120.400 -0.101 0.000 2.702 113 D HA -0.278 4.362 4.640 -0.000 0.000 0.233 113 D C 1.734 177.976 176.300 -0.096 0.000 1.164 113 D CA 0.949 54.876 54.000 -0.121 0.000 0.638 113 D CB -1.133 39.691 40.800 0.040 0.000 1.041 113 D HN 0.687 nan 8.370 nan 0.000 0.422 114 A N 0.027 122.719 122.820 -0.213 0.000 1.870 114 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 114 A C 1.946 179.549 177.584 0.031 0.000 1.286 114 A CA 2.135 54.046 52.037 -0.210 0.000 0.682 114 A CB -1.238 17.260 19.000 -0.836 0.000 0.844 114 A HN 0.601 nan 8.150 nan 0.000 0.460 115 Y N -1.579 118.530 120.300 -0.318 0.000 2.151 115 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 115 Y C 2.380 178.429 175.900 0.248 0.000 1.166 115 Y CA 1.058 59.112 58.100 -0.076 0.000 1.163 115 Y CB -0.463 37.882 38.460 -0.191 0.000 0.974 115 Y HN 0.375 nan 8.280 nan 0.000 0.511 116 F N -0.920 119.155 119.950 0.209 0.000 2.604 116 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 116 F C 1.783 177.676 175.800 0.156 0.000 1.131 116 F CA -0.012 58.095 58.000 0.177 0.000 1.457 116 F CB -0.015 39.068 39.000 0.139 0.000 1.095 116 F HN -0.050 nan 8.300 nan 0.000 0.574 117 S N -0.165 115.743 115.700 0.346 0.000 2.605 117 S HA 0.139 4.609 4.470 -0.000 0.000 0.217 117 S C 0.212 174.964 174.600 0.254 0.000 0.958 117 S CA 0.047 58.404 58.200 0.261 0.000 0.919 117 S CB 0.175 63.513 63.200 0.230 0.000 0.780 117 S HN -0.088 nan 8.310 nan 0.000 0.507 118 V N 4.347 124.429 119.914 0.280 0.000 2.483 118 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 118 V C -2.381 173.830 176.094 0.195 0.000 1.027 118 V CA -2.342 60.096 62.300 0.229 0.000 0.855 118 V CB 1.958 33.935 31.823 0.257 0.000 0.995 118 V HN 0.061 nan 8.190 nan 0.000 0.424 119 P HA 0.114 nan 4.420 nan 0.000 0.269 119 P C -0.889 176.487 177.300 0.128 0.000 1.217 119 P CA -0.189 62.991 63.100 0.133 0.000 0.783 119 P CB 1.392 33.161 31.700 0.115 0.000 0.898 120 L N 1.821 123.117 121.223 0.122 0.000 2.329 120 L HA 0.413 4.753 4.340 -0.000 0.000 0.279 120 L C -0.231 176.711 176.870 0.120 0.000 1.014 120 L CA -0.762 54.146 54.840 0.114 0.000 0.814 120 L CB 0.899 43.019 42.059 0.102 0.000 1.257 120 L HN 0.249 nan 8.230 nan 0.000 0.424 121 D N 3.008 123.483 120.400 0.124 0.000 2.554 121 D HA -0.097 4.543 4.640 -0.000 0.000 0.251 121 D C 1.004 177.403 176.300 0.165 0.000 1.213 121 D CA 0.875 54.957 54.000 0.137 0.000 0.900 121 D CB 0.695 41.580 40.800 0.141 0.000 1.135 121 D HN 0.737 nan 8.370 nan 0.000 0.522 122 E N 2.447 122.722 120.200 0.125 0.000 2.136 122 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 122 E C 0.780 177.452 176.600 0.120 0.000 1.019 122 E CA 1.595 58.059 56.400 0.107 0.000 0.819 122 E CB 0.055 29.802 29.700 0.078 0.000 0.739 122 E HN 0.629 nan 8.360 nan 0.000 0.458 123 D N -1.143 119.348 120.400 0.151 0.000 2.378 123 D HA -0.071 4.569 4.640 -0.000 0.000 0.227 123 D C 0.903 177.368 176.300 0.275 0.000 1.012 123 D CA 0.478 54.580 54.000 0.170 0.000 0.905 123 D CB -0.031 40.872 40.800 0.171 0.000 0.895 123 D HN 0.164 nan 8.370 nan 0.000 0.532 124 F N 0.047 120.070 119.950 0.122 0.000 2.712 124 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 124 F C 1.821 177.692 175.800 0.119 0.000 1.114 124 F CA -0.214 57.912 58.000 0.211 0.000 1.305 124 F CB 0.409 39.472 39.000 0.106 0.000 1.086 124 F HN -0.290 nan 8.300 nan 0.000 0.599 125 R N 1.334 121.902 120.500 0.113 0.000 2.133 125 R HA -0.242 4.098 4.340 -0.000 0.000 0.247 125 R C 2.164 178.407 176.300 -0.095 0.000 1.151 125 R CA 2.038 58.156 56.100 0.030 0.000 0.971 125 R CB -0.676 29.662 30.300 0.064 0.000 0.866 125 R HN 0.364 nan 8.270 nan 0.000 0.447 126 K N 0.060 120.327 120.400 -0.222 0.000 2.360 126 K HA -0.189 4.131 4.320 -0.000 0.000 0.201 126 K C 0.870 177.208 176.600 -0.437 0.000 1.046 126 K CA 1.588 57.690 56.287 -0.308 0.000 0.940 126 K CB -0.143 32.121 32.500 -0.394 0.000 0.748 126 K HN 0.294 nan 8.250 nan 0.000 0.465 127 Y N 1.761 121.796 120.300 -0.442 0.000 2.500 127 Y HA 0.019 4.569 4.550 -0.000 0.000 0.270 127 Y C 1.975 177.720 175.900 -0.258 0.000 1.134 127 Y CA 0.941 58.686 58.100 -0.593 0.000 1.293 127 Y CB 0.349 38.177 38.460 -1.053 0.000 1.063 127 Y HN 0.256 nan 8.280 nan 0.000 0.534 128 T N -2.020 112.530 114.554 -0.007 0.000 3.278 128 T HA 0.498 4.848 4.350 -0.000 0.000 0.251 128 T C 0.665 175.616 174.700 0.418 0.000 1.039 128 T CA -0.178 62.068 62.100 0.244 0.000 0.935 128 T CB -0.630 68.383 68.868 0.241 0.000 1.034 128 T HN 0.172 nan 8.240 nan 0.000 0.575 129 A N 1.911 124.892 122.820 0.268 0.000 2.454 129 A HA 0.595 4.915 4.320 -0.000 0.000 0.260 129 A C -0.124 177.641 177.584 0.302 0.000 1.106 129 A CA -0.671 51.502 52.037 0.226 0.000 0.780 129 A CB -0.425 18.641 19.000 0.110 0.000 1.044 129 A HN 0.741 nan 8.150 nan 0.000 0.498 130 F N 0.329 120.335 119.950 0.094 0.000 2.650 130 F HA 0.865 5.392 4.527 -0.000 0.000 0.320 130 F C -0.118 175.699 175.800 0.029 0.000 1.091 130 F CA -0.576 57.453 58.000 0.049 0.000 0.962 130 F CB 1.418 40.440 39.000 0.036 0.000 1.363 130 F HN 0.562 nan 8.300 nan 0.000 0.482 131 T N -0.472 114.081 114.554 -0.001 0.000 2.900 131 T HA 0.735 5.085 4.350 -0.000 0.000 0.295 131 T C -0.923 173.778 174.700 0.002 0.000 1.044 131 T CA -0.672 61.355 62.100 -0.122 0.000 0.995 131 T CB 1.536 70.346 68.868 -0.096 0.000 1.072 131 T HN 0.756 nan 8.240 nan 0.000 0.473 132 I N 3.484 124.027 120.570 -0.044 0.000 2.304 132 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 132 I C -2.286 173.814 176.117 -0.029 0.000 1.018 132 I CA -2.527 58.783 61.300 0.017 0.000 1.260 132 I CB 1.306 39.331 38.000 0.040 0.000 1.390 132 I HN 0.421 nan 8.210 nan 0.000 0.475 133 P HA 0.068 nan 4.420 nan 0.000 0.272 133 P C -0.458 176.818 177.300 -0.039 0.000 1.223 133 P CA -0.332 62.748 63.100 -0.032 0.000 0.784 133 P CB 0.627 32.316 31.700 -0.019 0.000 0.923 134 S N 1.308 116.979 115.700 -0.048 0.000 2.617 134 S HA 0.441 4.911 4.470 -0.000 0.000 0.283 134 S C 0.291 174.865 174.600 -0.043 0.000 1.189 134 S CA -0.884 57.288 58.200 -0.047 0.000 1.036 134 S CB 0.077 63.246 63.200 -0.052 0.000 1.014 134 S HN 0.266 nan 8.310 nan 0.000 0.522 135 I N 2.517 123.065 120.570 -0.038 0.000 2.919 135 I HA -0.106 4.064 4.170 -0.000 0.000 0.299 135 I C 0.719 176.812 176.117 -0.040 0.000 1.221 135 I CA 0.604 61.884 61.300 -0.034 0.000 1.424 135 I CB -0.996 36.988 38.000 -0.027 0.000 1.358 135 I HN 0.854 nan 8.210 nan 0.000 0.551 136 N N 5.284 123.957 118.700 -0.045 0.000 2.714 136 N HA -0.226 4.514 4.740 -0.000 0.000 0.252 136 N C -0.483 174.985 175.510 -0.070 0.000 1.014 136 N CA 0.121 53.135 53.050 -0.059 0.000 0.735 136 N CB -1.091 37.368 38.487 -0.046 0.000 0.924 136 N HN 0.739 nan 8.380 nan 0.000 0.540 137 N N -0.310 118.345 118.700 -0.075 0.000 2.678 137 N HA -0.207 4.533 4.740 -0.000 0.000 0.268 137 N C 0.421 175.892 175.510 -0.065 0.000 1.010 137 N CA 1.417 54.421 53.050 -0.077 0.000 0.784 137 N CB -0.173 38.254 38.487 -0.100 0.000 0.905 137 N HN 0.691 nan 8.380 nan 0.000 0.552 138 E N -0.638 119.528 120.200 -0.056 0.000 2.134 138 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 138 E C 1.060 177.631 176.600 -0.049 0.000 0.937 138 E CA 0.942 57.312 56.400 -0.049 0.000 0.874 138 E CB 0.125 29.800 29.700 -0.042 0.000 0.853 138 E HN 0.596 nan 8.360 nan 0.000 0.471 139 T N -0.281 114.243 114.554 -0.050 0.000 2.849 139 T HA 0.170 4.520 4.350 -0.000 0.000 0.276 139 T C -1.637 173.026 174.700 -0.061 0.000 0.971 139 T CA -1.419 60.649 62.100 -0.053 0.000 0.949 139 T CB 0.789 69.626 68.868 -0.052 0.000 1.093 139 T HN -0.176 nan 8.240 nan 0.000 0.545 140 P HA 0.168 nan 4.420 nan 0.000 0.208 140 P C 0.885 178.133 177.300 -0.088 0.000 1.189 140 P CA 1.476 64.529 63.100 -0.078 0.000 0.931 140 P CB -0.861 30.787 31.700 -0.086 0.000 0.783 141 G N -0.872 107.867 108.800 -0.101 0.000 2.428 141 G HA2 0.103 4.063 3.960 -0.000 0.000 0.681 141 G HA3 0.103 4.063 3.960 -0.000 0.000 0.681 141 G C -1.032 173.768 174.900 -0.167 0.000 1.340 141 G CA -0.770 44.263 45.100 -0.112 0.000 0.915 141 G HN 0.172 nan 8.290 nan 0.000 0.645 142 I N 0.522 120.973 120.570 -0.198 0.000 2.519 142 I HA 0.454 4.624 4.170 -0.000 0.000 0.287 142 I C 0.984 176.827 176.117 -0.455 0.000 1.047 142 I CA -0.026 61.067 61.300 -0.345 0.000 1.381 142 I CB 1.190 38.978 38.000 -0.352 0.000 1.417 142 I HN 0.497 nan 8.210 nan 0.000 0.540 143 R N 5.224 125.368 120.500 -0.593 0.000 2.480 143 R HA 0.597 4.937 4.340 -0.000 0.000 0.306 143 R C -1.514 174.366 176.300 -0.701 0.000 0.958 143 R CA -0.615 55.152 56.100 -0.554 0.000 0.861 143 R CB 2.083 32.184 30.300 -0.333 0.000 1.171 143 R HN 0.408 nan 8.270 nan 0.000 0.445 144 Y N 0.413 120.347 120.300 -0.610 0.000 2.634 144 Y HA 0.333 4.883 4.550 -0.000 0.000 0.340 144 Y C -0.153 175.529 175.900 -0.363 0.000 1.058 144 Y CA -0.882 56.911 58.100 -0.512 0.000 1.081 144 Y CB 2.177 40.277 38.460 -0.601 0.000 1.295 144 Y HN 0.471 nan 8.280 nan 0.000 0.487 145 Q N -0.281 119.556 119.800 0.063 0.000 2.456 145 Q HA 0.524 4.864 4.340 -0.000 0.000 0.284 145 Q C -2.177 173.887 176.000 0.107 0.000 1.061 145 Q CA -1.066 54.827 55.803 0.150 0.000 0.799 145 Q CB 2.134 30.919 28.738 0.078 0.000 1.445 145 Q HN 0.659 nan 8.270 nan 0.000 0.411 146 Y N 1.329 121.719 120.300 0.150 0.000 2.299 146 Y HA 0.244 4.794 4.550 -0.000 0.000 0.326 146 Y C 0.798 176.719 175.900 0.034 0.000 1.164 146 Y CA 0.126 58.272 58.100 0.076 0.000 1.234 146 Y CB 1.138 39.644 38.460 0.076 0.000 1.219 146 Y HN 0.730 nan 8.280 nan 0.000 0.497 147 N N 0.952 119.738 118.700 0.143 0.000 2.197 147 N HA 0.085 4.825 4.740 -0.000 0.000 0.201 147 N C -0.400 175.191 175.510 0.135 0.000 1.148 147 N CA 0.427 53.540 53.050 0.104 0.000 0.883 147 N CB 0.857 39.371 38.487 0.045 0.000 1.012 147 N HN 0.398 nan 8.380 nan 0.000 0.507 148 V N -2.356 117.675 119.914 0.195 0.000 3.139 148 V HA 0.552 4.672 4.120 -0.000 0.000 0.310 148 V C 0.002 176.243 176.094 0.244 0.000 1.260 148 V CA -1.138 61.294 62.300 0.221 0.000 1.064 148 V CB 1.126 33.097 31.823 0.246 0.000 1.160 148 V HN -0.178 nan 8.190 nan 0.000 0.470 149 L N 2.187 123.572 121.223 0.271 0.000 2.433 149 L HA 0.381 4.721 4.340 -0.000 0.000 0.275 149 L C -2.279 174.745 176.870 0.256 0.000 1.128 149 L CA -1.208 53.744 54.840 0.186 0.000 0.875 149 L CB 0.204 42.304 42.059 0.069 0.000 1.171 149 L HN 0.462 nan 8.230 nan 0.000 0.463 150 P HA 0.084 nan 4.420 nan 0.000 0.272 150 P C -0.054 177.356 177.300 0.183 0.000 1.223 150 P CA -0.353 62.624 63.100 -0.205 0.000 0.784 150 P CB 0.763 32.088 31.700 -0.625 0.000 0.923 151 Q N 1.877 121.857 119.800 0.301 0.000 1.956 151 Q HA -0.111 4.229 4.340 -0.000 0.000 0.208 151 Q C 1.846 178.010 176.000 0.273 0.000 0.998 151 Q CA 2.321 58.279 55.803 0.260 0.000 0.855 151 Q CB -1.193 27.647 28.738 0.170 0.000 0.928 151 Q HN 0.652 nan 8.270 nan 0.000 0.418 152 G N -0.989 108.019 108.800 0.347 0.000 3.562 152 G HA2 0.146 4.106 3.960 -0.000 0.000 0.279 152 G HA3 0.146 4.106 3.960 -0.000 0.000 0.279 152 G C -1.172 173.890 174.900 0.270 0.000 1.314 152 G CA -0.567 44.728 45.100 0.324 0.000 1.189 152 G HN 0.128 nan 8.290 nan 0.000 0.562 153 W N 0.563 121.736 121.300 -0.211 0.000 2.449 153 W HA 0.444 5.104 4.660 -0.000 0.000 0.331 153 W C 1.212 177.559 176.519 -0.285 0.000 1.119 153 W CA -1.641 55.439 57.345 -0.441 0.000 1.240 153 W CB 1.303 30.355 29.460 -0.680 0.000 1.251 153 W HN 0.036 nan 8.180 nan 0.000 0.576 154 K N 1.932 121.826 120.400 -0.843 0.000 2.211 154 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 154 K C 1.583 177.464 176.600 -1.200 0.000 1.047 154 K CA 1.711 57.511 56.287 -0.813 0.000 0.935 154 K CB -0.370 31.809 32.500 -0.534 0.000 0.728 154 K HN 0.701 nan 8.250 nan 0.000 0.452 155 G N -1.202 106.313 108.800 -2.143 0.000 3.126 155 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.224 155 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.224 155 G C 1.005 175.170 174.900 -1.224 0.000 1.142 155 G CA -0.215 43.606 45.100 -2.131 0.000 0.759 155 G HN 0.126 nan 8.290 nan 0.000 0.550 156 S N 1.785 116.980 115.700 -0.842 0.000 2.356 156 S HA -0.062 4.408 4.470 -0.000 0.000 0.223 156 S C -0.067 174.079 174.600 -0.756 0.000 1.032 156 S CA 1.232 58.966 58.200 -0.776 0.000 1.005 156 S CB -0.587 61.985 63.200 -1.047 0.000 0.867 156 S HN 0.268 nan 8.310 nan 0.000 0.449 157 P HA -0.013 nan 4.420 nan 0.000 0.215 157 P C 1.520 178.719 177.300 -0.168 0.000 1.157 157 P CA 1.427 64.403 63.100 -0.207 0.000 0.863 157 P CB -0.108 31.496 31.700 -0.159 0.000 0.787 158 A N -0.401 122.227 122.820 -0.319 0.000 1.845 158 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 158 A C 2.212 179.690 177.584 -0.176 0.000 1.195 158 A CA 1.643 53.534 52.037 -0.243 0.000 0.616 158 A CB -1.702 17.084 19.000 -0.357 0.000 0.832 158 A HN 0.082 nan 8.150 nan 0.000 0.443 159 I N -1.702 118.707 120.570 -0.269 0.000 2.361 159 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 159 I C 2.367 178.440 176.117 -0.073 0.000 1.133 159 I CA 1.532 62.747 61.300 -0.141 0.000 1.413 159 I CB -0.341 37.575 38.000 -0.139 0.000 1.073 159 I HN 0.466 nan 8.210 nan 0.000 0.424 160 F N 1.835 121.674 119.950 -0.184 0.000 2.113 160 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 160 F C 2.614 178.376 175.800 -0.063 0.000 1.103 160 F CA 1.511 59.454 58.000 -0.094 0.000 1.248 160 F CB -0.218 38.756 39.000 -0.044 0.000 0.999 160 F HN -0.012 nan 8.300 nan 0.000 0.475 161 Q N -0.360 119.388 119.800 -0.086 0.000 2.224 161 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 161 Q C 2.478 178.358 176.000 -0.199 0.000 0.970 161 Q CA 1.361 57.065 55.803 -0.165 0.000 0.865 161 Q CB -0.794 27.939 28.738 -0.010 0.000 0.922 161 Q HN 0.436 nan 8.270 nan 0.000 0.445 162 S N -0.039 115.574 115.700 -0.145 0.000 2.414 162 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 162 S C 1.997 176.495 174.600 -0.169 0.000 1.022 162 S CA 0.811 58.944 58.200 -0.110 0.000 0.958 162 S CB 0.161 63.334 63.200 -0.046 0.000 0.797 162 S HN 0.284 nan 8.310 nan 0.000 0.493 163 S N 1.339 116.901 115.700 -0.229 0.000 2.387 163 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 163 S C 1.780 176.172 174.600 -0.346 0.000 1.026 163 S CA 1.403 59.452 58.200 -0.251 0.000 0.972 163 S CB -0.349 62.721 63.200 -0.217 0.000 0.814 163 S HN 0.564 nan 8.310 nan 0.000 0.477 164 M N 1.906 121.221 119.600 -0.475 0.000 2.175 164 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 164 M C 1.904 178.030 176.300 -0.290 0.000 1.063 164 M CA 1.540 56.568 55.300 -0.453 0.000 1.119 164 M CB -1.152 31.079 32.600 -0.615 0.000 1.377 164 M HN 0.117 nan 8.290 nan 0.000 0.415 165 T N 0.659 115.074 114.554 -0.231 0.000 2.746 165 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 165 T C 1.764 176.374 174.700 -0.151 0.000 1.039 165 T CA 1.654 63.665 62.100 -0.149 0.000 1.142 165 T CB -0.119 68.690 68.868 -0.097 0.000 0.866 165 T HN 0.457 nan 8.240 nan 0.000 0.444 166 K N 0.563 120.849 120.400 -0.189 0.000 2.057 166 K HA 0.080 4.400 4.320 -0.000 0.000 0.206 166 K C 2.217 178.635 176.600 -0.304 0.000 1.050 166 K CA 1.037 57.201 56.287 -0.206 0.000 0.935 166 K CB -0.289 32.085 32.500 -0.209 0.000 0.715 166 K HN 0.312 nan 8.250 nan 0.000 0.439 167 I N 1.236 121.547 120.570 -0.432 0.000 2.286 167 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 167 I C 2.054 178.050 176.117 -0.203 0.000 1.115 167 I CA 1.218 62.149 61.300 -0.615 0.000 1.392 167 I CB -0.130 37.501 38.000 -0.615 0.000 1.065 167 I HN 0.136 nan 8.210 nan 0.000 0.418 168 L N -0.009 121.135 121.223 -0.133 0.000 2.341 168 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 168 L C 2.417 179.297 176.870 0.016 0.000 1.115 168 L CA 0.568 55.389 54.840 -0.030 0.000 0.820 168 L CB -0.419 41.600 42.059 -0.067 0.000 0.944 168 L HN 0.259 nan 8.230 nan 0.000 0.452 169 E N 1.014 121.201 120.200 -0.022 0.000 2.048 169 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 169 E C -0.547 176.063 176.600 0.016 0.000 1.021 169 E CA 2.048 58.447 56.400 -0.002 0.000 0.825 169 E CB -0.671 29.015 29.700 -0.023 0.000 0.756 169 E HN 0.254 nan 8.360 nan 0.000 0.454 170 P HA -0.185 nan 4.420 nan 0.000 0.216 170 P C 1.177 178.442 177.300 -0.058 0.000 1.157 170 P CA 1.370 64.484 63.100 0.024 0.000 0.880 170 P CB -0.230 31.556 31.700 0.144 0.000 0.791 171 F N 0.793 120.537 119.950 -0.343 0.000 2.134 171 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 171 F C 1.965 177.671 175.800 -0.158 0.000 1.097 171 F CA 1.622 59.408 58.000 -0.357 0.000 1.264 171 F CB -0.493 38.210 39.000 -0.494 0.000 1.001 171 F HN -0.257 nan 8.300 nan 0.000 0.479 172 K N 0.490 120.974 120.400 0.141 0.000 2.009 172 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 172 K C 2.254 178.813 176.600 -0.068 0.000 1.049 172 K CA 1.967 58.296 56.287 0.070 0.000 0.929 172 K CB -0.393 32.161 32.500 0.090 0.000 0.714 172 K HN 0.234 nan 8.250 nan 0.000 0.440 173 K N 1.068 121.434 120.400 -0.055 0.000 2.089 173 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 173 K C 1.835 178.371 176.600 -0.107 0.000 1.048 173 K CA 1.809 58.059 56.287 -0.062 0.000 0.926 173 K CB 0.013 32.491 32.500 -0.037 0.000 0.714 173 K HN -0.006 nan 8.250 nan 0.000 0.448 174 Q N 0.386 120.081 119.800 -0.174 0.000 2.444 174 Q HA 0.112 4.452 4.340 -0.000 0.000 0.206 174 Q C -0.708 175.125 176.000 -0.279 0.000 0.948 174 Q CA 0.429 56.108 55.803 -0.206 0.000 0.946 174 Q CB 0.488 29.094 28.738 -0.220 0.000 1.027 174 Q HN 0.287 nan 8.270 nan 0.000 0.513 175 N N -0.421 118.100 118.700 -0.299 0.000 2.700 175 N HA 0.090 4.830 4.740 -0.000 0.000 0.242 175 N C -2.412 173.020 175.510 -0.129 0.000 1.541 175 N CA -0.684 52.201 53.050 -0.274 0.000 0.764 175 N CB 1.447 39.616 38.487 -0.530 0.000 1.319 175 N HN 0.049 nan 8.380 nan 0.000 0.518 176 P HA -0.176 nan 4.420 nan 0.000 0.216 176 P C 0.923 178.218 177.300 -0.009 0.000 1.150 176 P CA 1.170 64.250 63.100 -0.033 0.000 0.837 176 P CB 0.544 32.226 31.700 -0.029 0.000 0.786 177 D N -0.590 119.803 120.400 -0.011 0.000 2.310 177 D HA -0.064 4.576 4.640 -0.000 0.000 0.212 177 D C 0.458 176.785 176.300 0.044 0.000 0.965 177 D CA 0.350 54.358 54.000 0.013 0.000 0.879 177 D CB -0.008 40.798 40.800 0.010 0.000 0.921 177 D HN 0.041 nan 8.370 nan 0.000 0.510 178 I N 2.336 122.940 120.570 0.058 0.000 2.352 178 I HA 0.102 4.272 4.170 -0.000 0.000 0.290 178 I C 0.195 176.390 176.117 0.131 0.000 1.036 178 I CA -0.532 60.846 61.300 0.129 0.000 1.336 178 I CB 1.241 39.369 38.000 0.214 0.000 1.407 178 I HN -0.284 nan 8.210 nan 0.000 0.497 179 V N 7.992 127.980 119.914 0.123 0.000 2.439 179 V HA 0.492 4.612 4.120 -0.000 0.000 0.282 179 V C 0.205 176.376 176.094 0.128 0.000 1.039 179 V CA -0.528 61.834 62.300 0.102 0.000 0.913 179 V CB 1.766 33.627 31.823 0.063 0.000 0.983 179 V HN 0.444 nan 8.190 nan 0.000 0.460 180 I N 4.775 125.418 120.570 0.122 0.000 2.499 180 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 180 I C -1.437 174.772 176.117 0.154 0.000 1.048 180 I CA -0.706 60.666 61.300 0.120 0.000 1.062 180 I CB 2.063 40.105 38.000 0.071 0.000 1.238 180 I HN 0.620 nan 8.210 nan 0.000 0.426 181 Y N 5.756 126.077 120.300 0.034 0.000 2.331 181 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 181 Y C -0.823 175.130 175.900 0.088 0.000 0.960 181 Y CA -0.785 57.318 58.100 0.006 0.000 1.130 181 Y CB 1.442 39.825 38.460 -0.128 0.000 1.164 181 Y HN 0.502 nan 8.280 nan 0.000 0.458 182 Q N 5.982 125.447 119.800 -0.558 0.000 2.296 182 Q HA 0.264 4.604 4.340 -0.000 0.000 0.257 182 Q C -1.765 173.911 176.000 -0.540 0.000 0.942 182 Q CA -0.598 54.971 55.803 -0.390 0.000 0.939 182 Q CB 1.771 30.388 28.738 -0.201 0.000 1.198 182 Q HN 0.688 nan 8.270 nan 0.000 0.429 183 Y N 4.915 125.016 120.300 -0.331 0.000 2.445 183 Y HA 0.267 4.817 4.550 -0.000 0.000 0.332 183 Y C -0.019 175.916 175.900 0.058 0.000 1.037 183 Y CA -0.514 57.520 58.100 -0.111 0.000 1.296 183 Y CB 0.235 38.768 38.460 0.122 0.000 1.099 183 Y HN 0.901 nan 8.280 nan 0.000 0.496 184 M N 1.039 120.466 119.600 -0.287 0.000 7.319 184 M HA -0.438 4.042 4.480 -0.000 0.000 0.321 184 M C 0.801 177.058 176.300 -0.072 0.000 0.480 184 M CA 2.059 57.222 55.300 -0.230 0.000 1.311 184 M CB -0.912 31.427 32.600 -0.436 0.000 0.421 184 M HN 0.503 nan 8.290 nan 0.000 0.817 185 D N 0.795 121.094 120.400 -0.168 0.000 2.221 185 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 185 D C 0.078 176.353 176.300 -0.041 0.000 0.982 185 D CA 1.357 55.266 54.000 -0.152 0.000 0.857 185 D CB -0.277 40.406 40.800 -0.195 0.000 0.934 185 D HN 0.328 nan 8.370 nan 0.000 0.475 186 D N -0.136 120.267 120.400 0.006 0.000 2.283 186 D HA 0.355 4.995 4.640 -0.000 0.000 0.248 186 D C -0.293 176.003 176.300 -0.006 0.000 1.072 186 D CA -0.388 53.602 54.000 -0.016 0.000 0.929 186 D CB 1.668 42.483 40.800 0.025 0.000 1.182 186 D HN -0.143 nan 8.370 nan 0.000 0.433 187 L N 2.214 123.357 121.223 -0.133 0.000 2.372 187 L HA 0.287 4.627 4.340 -0.000 0.000 0.274 187 L C -1.455 175.302 176.870 -0.188 0.000 0.988 187 L CA -0.614 54.168 54.840 -0.097 0.000 0.833 187 L CB 0.969 42.958 42.059 -0.116 0.000 1.236 187 L HN 0.259 nan 8.230 nan 0.000 0.410 188 Y N 3.603 123.850 120.300 -0.089 0.000 2.326 188 Y HA 0.600 5.150 4.550 -0.000 0.000 0.337 188 Y C -0.056 175.841 175.900 -0.004 0.000 1.023 188 Y CA -0.600 57.457 58.100 -0.071 0.000 1.143 188 Y CB 1.545 39.984 38.460 -0.036 0.000 1.183 188 Y HN 0.200 nan 8.280 nan 0.000 0.485 189 V N 3.218 123.202 119.914 0.117 0.000 2.444 189 V HA 0.859 4.979 4.120 -0.000 0.000 0.294 189 V C 0.138 176.391 176.094 0.266 0.000 1.022 189 V CA -0.741 61.652 62.300 0.154 0.000 0.850 189 V CB 1.461 33.328 31.823 0.073 0.000 0.992 189 V HN 0.908 nan 8.190 nan 0.000 0.426 190 G N 2.543 111.483 108.800 0.233 0.000 2.619 190 G HA2 0.878 4.838 3.960 -0.000 0.000 0.296 190 G HA3 0.878 4.838 3.960 -0.000 0.000 0.296 190 G C -0.818 174.178 174.900 0.160 0.000 1.334 190 G CA -0.130 45.084 45.100 0.191 0.000 0.934 190 G HN 1.135 nan 8.290 nan 0.000 0.476 191 S N -1.128 114.614 115.700 0.069 0.000 2.615 191 S HA 0.427 4.897 4.470 -0.000 0.000 0.268 191 S C -0.798 173.797 174.600 -0.008 0.000 1.146 191 S CA -0.302 57.940 58.200 0.070 0.000 0.818 191 S CB 1.809 65.121 63.200 0.186 0.000 1.111 191 S HN 0.675 nan 8.310 nan 0.000 0.465 192 D N 0.431 120.837 120.400 0.010 0.000 2.388 192 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 192 D C 0.623 176.927 176.300 0.006 0.000 1.133 192 D CA -0.235 53.760 54.000 -0.008 0.000 0.831 192 D CB -0.005 40.792 40.800 -0.005 0.000 0.962 192 D HN 0.397 nan 8.370 nan 0.000 0.502 193 L N 0.546 121.787 121.223 0.031 0.000 2.543 193 L HA 0.158 4.498 4.340 -0.000 0.000 0.231 193 L C 1.014 177.911 176.870 0.044 0.000 1.194 193 L CA -0.540 54.333 54.840 0.056 0.000 0.823 193 L CB 0.530 42.657 42.059 0.113 0.000 1.374 193 L HN -0.156 nan 8.230 nan 0.000 0.507 194 E N 0.473 120.711 120.200 0.063 0.000 2.301 194 E HA 0.092 4.442 4.350 -0.000 0.000 0.275 194 E C 0.915 177.576 176.600 0.102 0.000 1.030 194 E CA -0.124 56.311 56.400 0.058 0.000 0.852 194 E CB 1.576 31.304 29.700 0.047 0.000 1.060 194 E HN 0.469 nan 8.360 nan 0.000 0.401 195 I N 2.105 122.725 120.570 0.082 0.000 2.367 195 I HA -0.328 3.842 4.170 -0.000 0.000 0.256 195 I C 1.701 177.903 176.117 0.143 0.000 1.132 195 I CA 1.783 63.158 61.300 0.126 0.000 1.397 195 I CB 0.084 38.133 38.000 0.080 0.000 1.074 195 I HN 0.629 nan 8.210 nan 0.000 0.435 196 G N -0.748 108.112 108.800 0.100 0.000 2.404 196 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.213 196 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.213 196 G C 1.360 176.312 174.900 0.088 0.000 1.189 196 G CA 0.311 45.459 45.100 0.080 0.000 0.796 196 G HN 0.365 nan 8.290 nan 0.000 0.532 197 Q N -0.592 119.264 119.800 0.094 0.000 2.297 197 Q HA 0.041 4.381 4.340 -0.000 0.000 0.204 197 Q C 2.021 178.094 176.000 0.122 0.000 0.962 197 Q CA 1.124 56.980 55.803 0.088 0.000 0.879 197 Q CB -0.201 28.581 28.738 0.074 0.000 0.947 197 Q HN 0.743 nan 8.270 nan 0.000 0.462 198 H N 0.677 119.785 119.070 0.063 0.000 2.307 198 H HA 0.065 4.621 4.556 -0.000 0.000 0.303 198 H C 1.569 176.957 175.328 0.100 0.000 1.073 198 H CA 1.609 57.706 56.048 0.081 0.000 1.338 198 H CB 0.255 30.065 29.762 0.080 0.000 1.389 198 H HN 0.021 nan 8.280 nan 0.000 0.503 199 R N -0.649 119.869 120.500 0.030 0.000 2.193 199 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 199 R C 2.138 178.443 176.300 0.008 0.000 1.110 199 R CA 1.478 57.575 56.100 -0.006 0.000 0.988 199 R CB -0.096 30.240 30.300 0.060 0.000 0.871 199 R HN 0.352 nan 8.270 nan 0.000 0.458 200 T N 0.757 115.329 114.554 0.029 0.000 2.701 200 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 200 T C 1.669 176.397 174.700 0.048 0.000 1.040 200 T CA 1.162 63.286 62.100 0.040 0.000 1.147 200 T CB -0.065 68.830 68.868 0.045 0.000 0.865 200 T HN 0.016 nan 8.240 nan 0.000 0.426 201 K N 0.843 121.268 120.400 0.042 0.000 2.147 201 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 201 K C 1.967 178.629 176.600 0.104 0.000 1.049 201 K CA 0.715 57.053 56.287 0.085 0.000 0.936 201 K CB -0.561 31.990 32.500 0.086 0.000 0.722 201 K HN 0.196 nan 8.250 nan 0.000 0.446 202 I N 1.169 121.725 120.570 -0.023 0.000 2.113 202 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 202 I C 2.005 178.150 176.117 0.047 0.000 1.070 202 I CA 1.379 62.657 61.300 -0.036 0.000 1.332 202 I CB -1.031 36.929 38.000 -0.068 0.000 1.044 202 I HN 0.252 nan 8.210 nan 0.000 0.402 203 E N 0.558 120.802 120.200 0.074 0.000 2.097 203 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 203 E C 2.035 178.696 176.600 0.102 0.000 1.000 203 E CA 1.382 57.834 56.400 0.086 0.000 0.804 203 E CB -0.328 29.414 29.700 0.070 0.000 0.740 203 E HN 0.557 nan 8.360 nan 0.000 0.454 204 E N 0.293 120.573 120.200 0.134 0.000 2.171 204 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 204 E C 2.177 178.942 176.600 0.276 0.000 0.997 204 E CA 0.942 57.461 56.400 0.198 0.000 0.810 204 E CB -0.090 29.737 29.700 0.211 0.000 0.738 204 E HN 0.118 nan 8.360 nan 0.000 0.467 205 L N 0.982 122.326 121.223 0.201 0.000 2.023 205 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 205 L C 2.347 179.207 176.870 -0.017 0.000 1.073 205 L CA 1.560 56.351 54.840 -0.081 0.000 0.745 205 L CB -0.324 41.491 42.059 -0.407 0.000 0.900 205 L HN -0.019 nan 8.230 nan 0.000 0.435 206 R N -0.735 119.765 120.500 0.001 0.000 2.113 206 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 206 R C 2.266 178.600 176.300 0.057 0.000 1.142 206 R CA 1.803 57.914 56.100 0.018 0.000 0.953 206 R CB -0.609 29.718 30.300 0.044 0.000 0.860 206 R HN 0.486 nan 8.270 nan 0.000 0.438 207 Q N -0.263 119.591 119.800 0.089 0.000 2.050 207 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 207 Q C 2.051 178.124 176.000 0.121 0.000 0.980 207 Q CA 1.727 57.587 55.803 0.095 0.000 0.840 207 Q CB -0.550 28.252 28.738 0.106 0.000 0.898 207 Q HN 0.529 nan 8.270 nan 0.000 0.424 208 H N 0.533 119.675 119.070 0.120 0.000 2.352 208 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 208 H C 1.991 177.464 175.328 0.241 0.000 1.097 208 H CA 1.534 57.699 56.048 0.195 0.000 1.311 208 H CB -0.186 29.726 29.762 0.250 0.000 1.377 208 H HN 0.112 nan 8.280 nan 0.000 0.504 209 L N -0.491 120.773 121.223 0.070 0.000 2.093 209 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 209 L C 2.629 179.542 176.870 0.072 0.000 1.085 209 L CA 0.910 55.782 54.840 0.054 0.000 0.755 209 L CB -0.364 41.709 42.059 0.024 0.000 0.904 209 L HN 0.319 nan 8.230 nan 0.000 0.435 210 L N -0.005 121.241 121.223 0.039 0.000 2.083 210 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 210 L C 2.764 179.620 176.870 -0.023 0.000 1.083 210 L CA 1.157 56.011 54.840 0.023 0.000 0.752 210 L CB -0.232 41.839 42.059 0.019 0.000 0.899 210 L HN 0.231 nan 8.230 nan 0.000 0.433 211 R N -1.139 119.308 120.500 -0.089 0.000 2.377 211 R HA -0.199 4.141 4.340 -0.000 0.000 0.207 211 R C 0.969 177.005 176.300 -0.440 0.000 1.075 211 R CA 1.078 57.026 56.100 -0.253 0.000 1.035 211 R CB -0.070 30.045 30.300 -0.308 0.000 0.857 211 R HN 0.462 nan 8.270 nan 0.000 0.475 212 W N -1.361 119.862 121.300 -0.127 0.000 2.862 212 W HA 0.323 4.983 4.660 -0.000 0.000 0.376 212 W C 0.944 177.438 176.519 -0.042 0.000 1.028 212 W CA 0.283 57.566 57.345 -0.102 0.000 1.757 212 W CB 1.300 30.663 29.460 -0.162 0.000 1.128 212 W HN 0.247 nan 8.180 nan 0.000 0.566 213 G N 0.756 109.641 108.800 0.142 0.000 2.159 213 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.227 213 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.227 213 G C -0.274 174.703 174.900 0.128 0.000 0.986 213 G CA -0.388 44.787 45.100 0.126 0.000 0.651 213 G HN 0.091 nan 8.290 nan 0.000 0.523 214 L N 2.285 123.581 121.223 0.122 0.000 2.305 214 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 214 L C 0.811 177.721 176.870 0.068 0.000 1.013 214 L CA -0.364 54.538 54.840 0.103 0.000 0.819 214 L CB 1.765 43.884 42.059 0.100 0.000 1.227 214 L HN 0.319 nan 8.230 nan 0.000 0.417 215 T N -0.650 113.940 114.554 0.060 0.000 2.907 215 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 215 T C 0.055 174.770 174.700 0.025 0.000 1.004 215 T CA -0.554 61.571 62.100 0.041 0.000 1.063 215 T CB 1.834 70.727 68.868 0.042 0.000 0.992 215 T HN 0.678 nan 8.240 nan 0.000 0.483 216 T N -0.436 114.129 114.554 0.019 0.000 2.864 216 T HA 0.688 5.038 4.350 -0.000 0.000 0.299 216 T C -3.092 171.625 174.700 0.029 0.000 1.166 216 T CA -1.804 60.296 62.100 -0.001 0.000 1.007 216 T CB 0.649 69.493 68.868 -0.039 0.000 1.219 216 T HN 0.464 nan 8.240 nan 0.000 0.506 217 P HA 0.183 nan 4.420 nan 0.000 0.267 217 P C 0.231 177.656 177.300 0.209 0.000 1.201 217 P CA -0.084 63.085 63.100 0.114 0.000 0.775 217 P CB 0.484 32.267 31.700 0.138 0.000 0.854 218 D N 1.615 122.098 120.400 0.139 0.000 2.394 218 D HA -0.049 4.591 4.640 -0.000 0.000 0.237 218 D C 0.848 177.105 176.300 -0.071 0.000 1.028 218 D CA 1.089 55.131 54.000 0.070 0.000 0.937 218 D CB 0.405 41.221 40.800 0.027 0.000 1.072 218 D HN 0.348 nan 8.370 nan 0.000 0.457 219 K N -0.174 120.187 120.400 -0.066 0.000 2.589 219 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 219 K C 0.297 176.880 176.600 -0.028 0.000 1.114 219 K CA -0.247 55.941 56.287 -0.166 0.000 1.070 219 K CB 0.571 33.007 32.500 -0.107 0.000 0.860 219 K HN -0.115 nan 8.250 nan 0.000 0.536 220 K N 0.748 121.190 120.400 0.070 0.000 2.410 220 K HA 0.102 4.422 4.320 -0.000 0.000 0.200 220 K C 0.555 177.249 176.600 0.158 0.000 1.023 220 K CA -0.186 56.155 56.287 0.090 0.000 1.149 220 K CB -0.317 32.224 32.500 0.068 0.000 0.859 220 K HN 0.140 nan 8.250 nan 0.000 0.514 221 H N 2.098 121.175 119.070 0.013 0.000 2.450 221 H HA -0.269 4.287 4.556 -0.000 0.000 0.291 221 H C 1.337 176.666 175.328 0.003 0.000 1.128 221 H CA 1.899 57.950 56.048 0.006 0.000 1.203 221 H CB -0.042 29.738 29.762 0.030 0.000 1.356 221 H HN 0.478 nan 8.280 nan 0.000 0.503 222 Q N -0.503 119.389 119.800 0.153 0.000 2.284 222 Q HA -0.360 3.980 4.340 -0.000 0.000 0.205 222 Q C 0.850 176.950 176.000 0.167 0.000 0.682 222 Q CA 1.673 57.542 55.803 0.110 0.000 1.401 222 Q CB -0.810 27.948 28.738 0.033 0.000 1.643 222 Q HN 0.736 nan 8.270 nan 0.000 0.717 223 K N 0.796 121.330 120.400 0.222 0.000 2.764 223 K HA 0.004 4.324 4.320 -0.000 0.000 0.324 223 K C 0.030 176.920 176.600 0.483 0.000 1.041 223 K CA 0.292 56.806 56.287 0.379 0.000 1.188 223 K CB -0.227 32.479 32.500 0.343 0.000 1.312 223 K HN 0.262 nan 8.250 nan 0.000 0.525 224 E N 1.312 121.714 120.200 0.338 0.000 2.966 224 E HA -0.130 4.220 4.350 -0.000 0.000 0.153 224 E C -2.149 174.439 176.600 -0.021 0.000 1.949 224 E CA -0.455 56.025 56.400 0.134 0.000 0.672 224 E CB -0.608 29.162 29.700 0.116 0.000 1.072 224 E HN 0.344 nan 8.360 nan 0.000 0.344 225 P HA 0.046 nan 4.420 nan 0.000 0.271 225 P C -2.432 174.667 177.300 -0.335 0.000 1.233 225 P CA -0.600 62.044 63.100 -0.760 0.000 0.795 225 P CB 0.066 31.270 31.700 -0.826 0.000 0.936 226 P HA 0.161 nan 4.420 nan 0.000 0.271 226 P C -0.944 176.281 177.300 -0.126 0.000 1.216 226 P CA 0.359 63.146 63.100 -0.521 0.000 0.771 226 P CB 0.138 31.504 31.700 -0.556 0.000 0.864 227 F N 1.614 121.601 119.950 0.063 0.000 2.399 227 F HA 0.395 4.922 4.527 -0.000 0.000 0.334 227 F C 0.497 176.447 175.800 0.250 0.000 1.097 227 F CA -0.886 57.226 58.000 0.187 0.000 1.076 227 F CB 0.567 39.741 39.000 0.290 0.000 1.162 227 F HN 0.019 nan 8.300 nan 0.000 0.495 228 L N 2.703 124.208 121.223 0.471 0.000 2.295 228 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 228 L C -1.417 175.715 176.870 0.437 0.000 1.018 228 L CA -0.431 54.636 54.840 0.379 0.000 0.841 228 L CB 0.941 43.149 42.059 0.248 0.000 1.218 228 L HN 0.713 nan 8.230 nan 0.000 0.424 229 W N 6.473 127.924 121.300 0.251 0.000 2.781 229 W HA 0.420 5.080 4.660 -0.000 0.000 0.333 229 W C 0.142 176.762 176.519 0.169 0.000 1.047 229 W CA -0.758 56.685 57.345 0.163 0.000 1.236 229 W CB 1.333 30.838 29.460 0.075 0.000 1.394 229 W HN 0.359 nan 8.180 nan 0.000 0.466 230 M N 5.710 124.863 119.600 -0.745 0.000 2.333 230 M HA -0.235 4.245 4.480 -0.000 0.000 0.199 230 M C 1.136 177.186 176.300 -0.416 0.000 0.376 230 M CA 1.973 56.803 55.300 -0.784 0.000 0.440 230 M CB -2.151 29.534 32.600 -1.524 0.000 1.506 230 M HN 1.478 nan 8.290 nan 0.000 0.889 231 G N -1.835 106.820 108.800 -0.241 0.000 2.176 231 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.253 231 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.253 231 G C -0.260 174.694 174.900 0.089 0.000 0.979 231 G CA 0.445 45.431 45.100 -0.190 0.000 0.641 231 G HN 0.560 nan 8.290 nan 0.000 0.530 232 Y N -0.046 120.444 120.300 0.317 0.000 2.534 232 Y HA 0.690 5.240 4.550 -0.000 0.000 0.329 232 Y C 0.613 176.736 175.900 0.370 0.000 1.154 232 Y CA -1.017 57.315 58.100 0.386 0.000 1.192 232 Y CB 1.377 40.056 38.460 0.364 0.000 1.275 232 Y HN 0.086 nan 8.280 nan 0.000 0.491 233 E N 2.057 122.610 120.200 0.588 0.000 2.331 233 E HA 0.323 4.673 4.350 -0.000 0.000 0.243 233 E C -1.815 175.131 176.600 0.575 0.000 0.925 233 E CA -0.598 56.092 56.400 0.484 0.000 0.760 233 E CB 0.480 30.429 29.700 0.415 0.000 1.254 233 E HN 0.386 nan 8.360 nan 0.000 0.419 234 L N 4.517 126.043 121.223 0.505 0.000 2.292 234 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 234 L C 0.284 177.317 176.870 0.272 0.000 1.065 234 L CA -0.169 54.968 54.840 0.494 0.000 0.806 234 L CB 0.572 42.901 42.059 0.451 0.000 1.175 234 L HN 0.580 nan 8.230 nan 0.000 0.431 235 H N 4.085 123.302 119.070 0.245 0.000 2.731 235 H HA 0.295 4.851 4.556 -0.000 0.000 0.368 235 H C -1.636 173.811 175.328 0.198 0.000 1.168 235 H CA -1.578 54.535 56.048 0.108 0.000 1.181 235 H CB 2.484 32.319 29.762 0.121 0.000 1.743 235 H HN 0.331 nan 8.280 nan 0.000 0.547 236 P HA -0.131 nan 4.420 nan 0.000 0.223 236 P C 0.656 178.127 177.300 0.285 0.000 1.151 236 P CA 1.303 64.485 63.100 0.137 0.000 0.787 236 P CB 0.575 32.290 31.700 0.024 0.000 0.788 237 D N -0.184 120.405 120.400 0.314 0.000 2.277 237 D HA 0.021 4.661 4.640 -0.000 0.000 0.209 237 D C 0.974 177.427 176.300 0.255 0.000 0.970 237 D CA 0.837 54.994 54.000 0.262 0.000 0.874 237 D CB 0.400 41.262 40.800 0.104 0.000 0.982 237 D HN 0.329 nan 8.370 nan 0.000 0.504 238 K N -1.650 118.874 120.400 0.207 0.000 2.499 238 K HA 0.372 4.692 4.320 -0.000 0.000 0.284 238 K C -1.305 175.311 176.600 0.027 0.000 1.039 238 K CA -1.114 55.087 56.287 -0.142 0.000 0.873 238 K CB 1.332 33.711 32.500 -0.202 0.000 1.545 238 K HN 0.054 nan 8.250 nan 0.000 0.402 239 W N -0.278 120.909 121.300 -0.188 0.000 3.137 239 W HA 0.695 5.355 4.660 -0.000 0.000 0.324 239 W C -1.699 174.819 176.519 -0.002 0.000 1.253 239 W CA -0.770 56.582 57.345 0.011 0.000 1.183 239 W CB 1.321 30.758 29.460 -0.039 0.000 1.424 239 W HN 0.867 nan 8.180 nan 0.000 0.566 240 T N -0.034 114.674 114.554 0.257 0.000 2.661 240 T HA 0.525 4.875 4.350 -0.000 0.000 0.305 240 T C -1.087 173.860 174.700 0.412 0.000 1.441 240 T CA -0.033 62.019 62.100 -0.080 0.000 0.999 240 T CB 0.921 69.510 68.868 -0.466 0.000 1.650 240 T HN 0.934 nan 8.240 nan 0.000 0.489 241 V N 0.936 121.010 119.914 0.268 0.000 2.973 241 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 241 V C 0.477 176.741 176.094 0.283 0.000 1.066 241 V CA -0.989 61.509 62.300 0.329 0.000 1.021 241 V CB 1.018 32.983 31.823 0.238 0.000 1.076 241 V HN 0.872 nan 8.190 nan 0.000 0.462 242 Q N 0.814 120.783 119.800 0.282 0.000 2.469 242 Q HA 0.180 4.519 4.340 -0.000 0.000 0.279 242 Q C -2.315 173.780 176.000 0.159 0.000 1.097 242 Q CA -0.955 54.964 55.803 0.192 0.000 0.951 242 Q CB -0.456 28.353 28.738 0.119 0.000 1.297 242 Q HN 0.586 nan 8.270 nan 0.000 0.465 243 P HA 0.019 nan 4.420 nan 0.000 0.264 243 P C -0.614 176.720 177.300 0.056 0.000 1.193 243 P CA 0.368 63.519 63.100 0.085 0.000 0.763 243 P CB 0.375 32.119 31.700 0.073 0.000 0.810 244 I N 4.016 124.599 120.570 0.022 0.000 2.359 244 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 244 I C 0.161 176.264 176.117 -0.023 0.000 0.987 244 I CA -0.532 60.763 61.300 -0.009 0.000 1.225 244 I CB 1.418 39.377 38.000 -0.068 0.000 1.366 244 I HN 0.092 nan 8.210 nan 0.000 0.466 245 V N 7.824 127.734 119.914 -0.006 0.000 2.569 245 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 245 V C -0.610 175.496 176.094 0.020 0.000 1.044 245 V CA -0.562 61.739 62.300 0.001 0.000 0.874 245 V CB 2.010 33.838 31.823 0.008 0.000 1.002 245 V HN 0.511 nan 8.190 nan 0.000 0.424 246 L N 8.607 129.848 121.223 0.030 0.000 2.265 246 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 246 L C -1.063 175.877 176.870 0.117 0.000 1.058 246 L CA -1.472 53.419 54.840 0.085 0.000 0.809 246 L CB 0.939 43.040 42.059 0.069 0.000 1.179 246 L HN 0.473 nan 8.230 nan 0.000 0.429 247 P HA -0.285 nan 4.420 nan 0.000 0.222 247 P C 0.072 177.378 177.300 0.010 0.000 1.157 247 P CA 1.209 64.339 63.100 0.050 0.000 0.905 247 P CB 0.071 31.766 31.700 -0.009 0.000 0.792 248 E N -1.186 119.089 120.200 0.126 0.000 2.689 248 E HA -0.216 4.134 4.350 -0.000 0.000 0.165 248 E C -0.676 175.873 176.600 -0.085 0.000 1.609 248 E CA 0.262 56.715 56.400 0.088 0.000 0.674 248 E CB -1.069 28.661 29.700 0.050 0.000 1.103 248 E HN 0.422 nan 8.360 nan 0.000 0.373 249 K N 1.127 121.375 120.400 -0.254 0.000 2.433 249 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 249 K C 0.073 176.487 176.600 -0.309 0.000 1.015 249 K CA -0.904 55.147 56.287 -0.394 0.000 0.860 249 K CB 1.080 33.174 32.500 -0.676 0.000 1.359 249 K HN -0.163 nan 8.250 nan 0.000 0.452 250 D N 0.748 121.010 120.400 -0.230 0.000 2.075 250 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 250 D C 0.580 176.814 176.300 -0.111 0.000 0.985 250 D CA 1.588 55.521 54.000 -0.112 0.000 0.834 250 D CB -0.120 40.631 40.800 -0.081 0.000 0.987 250 D HN 0.627 nan 8.370 nan 0.000 0.452 251 S N -1.096 114.485 115.700 -0.200 0.000 2.638 251 S HA 0.542 5.012 4.470 -0.000 0.000 0.298 251 S C -1.140 173.282 174.600 -0.296 0.000 1.111 251 S CA -0.898 57.238 58.200 -0.107 0.000 1.027 251 S CB 1.441 64.612 63.200 -0.049 0.000 1.064 251 S HN 0.160 nan 8.310 nan 0.000 0.525 252 W N 1.118 122.409 121.300 -0.015 0.000 2.600 252 W HA 0.515 5.175 4.660 -0.000 0.000 0.325 252 W C 0.352 176.862 176.519 -0.015 0.000 1.034 252 W CA -0.524 56.812 57.345 -0.016 0.000 1.226 252 W CB 1.765 31.215 29.460 -0.017 0.000 1.379 252 W HN 0.915 nan 8.180 nan 0.000 0.466 253 T N -1.665 112.991 114.554 0.170 0.000 2.902 253 T HA 0.281 4.631 4.350 -0.000 0.000 0.280 253 T C 0.889 175.664 174.700 0.126 0.000 0.992 253 T CA -0.726 61.437 62.100 0.105 0.000 1.015 253 T CB 1.369 70.263 68.868 0.044 0.000 1.044 253 T HN 0.217 nan 8.240 nan 0.000 0.520 254 V N 1.755 121.714 119.914 0.076 0.000 2.324 254 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 254 V C 2.892 179.022 176.094 0.059 0.000 1.060 254 V CA 2.489 64.823 62.300 0.057 0.000 1.042 254 V CB -1.320 30.523 31.823 0.032 0.000 0.650 254 V HN 1.003 nan 8.190 nan 0.000 0.450 255 N N 0.416 119.147 118.700 0.051 0.000 2.104 255 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 255 N C 1.486 177.039 175.510 0.072 0.000 1.024 255 N CA 1.938 55.013 53.050 0.042 0.000 0.853 255 N CB -0.301 38.201 38.487 0.024 0.000 1.008 255 N HN 0.471 nan 8.380 nan 0.000 0.424 256 D N -0.126 120.346 120.400 0.121 0.000 2.117 256 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 256 D C 1.893 178.351 176.300 0.263 0.000 0.982 256 D CA 0.607 54.738 54.000 0.219 0.000 0.828 256 D CB -0.158 40.825 40.800 0.305 0.000 0.967 256 D HN 0.304 nan 8.370 nan 0.000 0.464 257 I N 1.184 121.870 120.570 0.194 0.000 2.361 257 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 257 I C 2.224 178.350 176.117 0.016 0.000 1.133 257 I CA 1.055 62.383 61.300 0.046 0.000 1.413 257 I CB -1.026 36.971 38.000 -0.005 0.000 1.073 257 I HN 0.129 nan 8.210 nan 0.000 0.424 258 Q N 0.801 120.621 119.800 0.033 0.000 2.046 258 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 258 Q C 2.246 178.254 176.000 0.015 0.000 0.975 258 Q CA 1.312 57.123 55.803 0.014 0.000 0.836 258 Q CB -0.147 28.598 28.738 0.012 0.000 0.896 258 Q HN 0.433 nan 8.270 nan 0.000 0.428 259 K N 0.892 121.311 120.400 0.032 0.000 2.032 259 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 259 K C 2.077 178.694 176.600 0.029 0.000 1.048 259 K CA 0.928 57.230 56.287 0.025 0.000 0.927 259 K CB -0.214 32.310 32.500 0.039 0.000 0.712 259 K HN 0.131 nan 8.250 nan 0.000 0.441 260 L N 0.730 121.983 121.223 0.050 0.000 1.970 260 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 260 L C 2.086 178.946 176.870 -0.017 0.000 1.071 260 L CA 1.607 56.458 54.840 0.019 0.000 0.751 260 L CB -0.331 41.706 42.059 -0.037 0.000 0.889 260 L HN 0.061 nan 8.230 nan 0.000 0.432 261 V N 0.065 119.962 119.914 -0.028 0.000 2.469 261 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 261 V C 2.604 178.702 176.094 0.007 0.000 1.064 261 V CA 1.791 64.076 62.300 -0.024 0.000 1.066 261 V CB -1.227 30.579 31.823 -0.028 0.000 0.667 261 V HN 0.669 nan 8.190 nan 0.000 0.461 262 G N -0.296 108.511 108.800 0.011 0.000 2.402 262 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 262 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 262 G C 1.650 176.585 174.900 0.059 0.000 1.162 262 G CA 0.446 45.561 45.100 0.025 0.000 0.777 262 G HN 0.383 nan 8.290 nan 0.000 0.539 263 K N 0.378 120.802 120.400 0.039 0.000 2.026 263 K HA 0.039 4.359 4.320 -0.000 0.000 0.208 263 K C 2.541 179.201 176.600 0.099 0.000 1.048 263 K CA 0.637 56.965 56.287 0.068 0.000 0.929 263 K CB -0.695 31.822 32.500 0.029 0.000 0.713 263 K HN 0.331 nan 8.250 nan 0.000 0.439 264 L N 1.423 122.671 121.223 0.041 0.000 2.046 264 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 264 L C 2.108 179.012 176.870 0.056 0.000 1.077 264 L CA 1.063 55.913 54.840 0.017 0.000 0.747 264 L CB -0.570 41.475 42.059 -0.024 0.000 0.896 264 L HN 0.187 nan 8.230 nan 0.000 0.432 265 N N -0.556 118.193 118.700 0.081 0.000 2.149 265 N HA -0.257 4.483 4.740 -0.000 0.000 0.188 265 N C 1.522 177.131 175.510 0.165 0.000 1.019 265 N CA 1.341 54.453 53.050 0.104 0.000 0.857 265 N CB -0.346 38.207 38.487 0.110 0.000 0.997 265 N HN 0.509 nan 8.380 nan 0.000 0.426 266 W N 1.731 123.030 121.300 -0.002 0.000 2.381 266 W HA -0.063 4.597 4.660 -0.000 0.000 0.301 266 W C 1.906 178.456 176.519 0.051 0.000 1.205 266 W CA 1.446 58.791 57.345 -0.000 0.000 1.285 266 W CB -0.051 29.377 29.460 -0.054 0.000 1.133 266 W HN 0.046 nan 8.180 nan 0.000 0.521 267 A N 0.602 123.486 122.820 0.107 0.000 2.015 267 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 267 A C 1.913 179.554 177.584 0.096 0.000 1.163 267 A CA 1.943 54.023 52.037 0.072 0.000 0.646 267 A CB -1.240 17.743 19.000 -0.029 0.000 0.806 267 A HN 0.341 nan 8.150 nan 0.000 0.448 268 S N 0.524 116.249 115.700 0.042 0.000 2.584 268 S HA -0.204 4.266 4.470 -0.000 0.000 0.240 268 S C 1.562 176.158 174.600 -0.006 0.000 0.975 268 S CA 1.103 59.319 58.200 0.026 0.000 0.949 268 S CB -0.648 62.558 63.200 0.009 0.000 0.761 268 S HN 0.842 nan 8.310 nan 0.000 0.536 269 Q N -0.672 119.125 119.800 -0.006 0.000 2.360 269 Q HA 0.358 4.698 4.340 -0.000 0.000 0.202 269 Q C 1.325 177.410 176.000 0.141 0.000 0.915 269 Q CA 0.221 56.054 55.803 0.049 0.000 0.943 269 Q CB -0.108 28.675 28.738 0.075 0.000 1.064 269 Q HN 0.608 nan 8.270 nan 0.000 0.511 270 I N -1.675 118.913 120.570 0.031 0.000 5.061 270 I HA 0.205 4.375 4.170 -0.000 0.000 0.336 270 I C -0.908 175.041 176.117 -0.280 0.000 1.247 270 I CA -0.395 60.801 61.300 -0.173 0.000 1.418 270 I CB 1.011 38.723 38.000 -0.479 0.000 1.467 270 I HN -0.017 nan 8.210 nan 0.000 0.510 271 Y N 5.270 125.502 120.300 -0.114 0.000 2.477 271 Y HA 0.459 5.009 4.550 -0.000 0.000 0.349 271 Y C -2.100 173.748 175.900 -0.086 0.000 0.977 271 Y CA -2.431 55.609 58.100 -0.100 0.000 1.214 271 Y CB 0.149 38.558 38.460 -0.084 0.000 1.124 271 Y HN 0.078 nan 8.280 nan 0.000 0.521 272 P HA 0.150 nan 4.420 nan 0.000 0.274 272 P C 0.737 178.039 177.300 0.004 0.000 1.231 272 P CA 0.601 63.694 63.100 -0.012 0.000 0.790 272 P CB 1.626 33.304 31.700 -0.037 0.000 0.951 273 G N 1.678 110.469 108.800 -0.015 0.000 2.225 273 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 273 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 273 G C 0.385 175.272 174.900 -0.021 0.000 0.988 273 G CA -0.296 44.793 45.100 -0.019 0.000 0.625 273 G HN 0.501 nan 8.290 nan 0.000 0.527 274 I N 1.289 121.852 120.570 -0.011 0.000 2.826 274 I HA 0.135 4.305 4.170 -0.000 0.000 0.295 274 I C 0.741 176.840 176.117 -0.030 0.000 1.213 274 I CA 1.172 62.459 61.300 -0.022 0.000 1.436 274 I CB 0.154 38.147 38.000 -0.011 0.000 1.348 274 I HN 0.217 nan 8.210 nan 0.000 0.570 275 K N 4.977 125.351 120.400 -0.044 0.000 2.371 275 K HA 0.553 4.873 4.320 -0.000 0.000 0.251 275 K C 0.134 176.699 176.600 -0.057 0.000 0.934 275 K CA -0.592 55.665 56.287 -0.049 0.000 0.798 275 K CB 2.849 35.314 32.500 -0.059 0.000 1.204 275 K HN 0.457 nan 8.250 nan 0.000 0.427 276 V N -1.125 118.757 119.914 -0.054 0.000 3.372 276 V HA 0.197 4.317 4.120 -0.000 0.000 0.304 276 V C 1.533 177.590 176.094 -0.063 0.000 1.530 276 V CA -0.223 62.040 62.300 -0.062 0.000 1.080 276 V CB 0.244 32.040 31.823 -0.046 0.000 0.929 276 V HN 0.761 nan 8.190 nan 0.000 0.455 277 R N 0.649 121.112 120.500 -0.062 0.000 2.097 277 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 277 R C 2.331 178.591 176.300 -0.066 0.000 1.135 277 R CA 2.600 58.663 56.100 -0.061 0.000 0.934 277 R CB -0.144 30.117 30.300 -0.065 0.000 0.846 277 R HN 0.520 nan 8.270 nan 0.000 0.431 278 Q N 0.363 120.118 119.800 -0.074 0.000 2.170 278 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 278 Q C 2.239 178.186 176.000 -0.089 0.000 0.976 278 Q CA 1.256 57.013 55.803 -0.077 0.000 0.858 278 Q CB -0.188 28.501 28.738 -0.081 0.000 0.907 278 Q HN 0.444 nan 8.270 nan 0.000 0.433 279 L N -0.858 120.303 121.223 -0.103 0.000 2.072 279 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 279 L C 2.529 179.344 176.870 -0.091 0.000 1.079 279 L CA 0.681 55.446 54.840 -0.124 0.000 0.752 279 L CB -0.353 41.617 42.059 -0.149 0.000 0.906 279 L HN 0.221 nan 8.230 nan 0.000 0.436 280 C N -0.061 119.196 119.300 -0.071 0.000 2.432 280 C HA -0.123 4.337 4.460 -0.000 0.000 0.280 280 C C 2.763 177.726 174.990 -0.045 0.000 1.353 280 C CA 0.625 59.612 59.018 -0.051 0.000 1.766 280 C CB -0.601 27.113 27.740 -0.042 0.000 1.924 280 C HN 0.404 nan 8.230 nan 0.000 0.509 281 K N 0.577 120.947 120.400 -0.050 0.000 2.063 281 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 281 K C 1.687 178.264 176.600 -0.037 0.000 1.048 281 K CA 1.282 57.544 56.287 -0.042 0.000 0.928 281 K CB -0.282 32.191 32.500 -0.045 0.000 0.713 281 K HN 0.508 nan 8.250 nan 0.000 0.442 282 L N 0.836 122.032 121.223 -0.045 0.000 2.127 282 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 282 L C 2.081 178.937 176.870 -0.024 0.000 1.089 282 L CA 0.935 55.753 54.840 -0.037 0.000 0.757 282 L CB -0.487 41.542 42.059 -0.051 0.000 0.899 282 L HN 0.181 nan 8.230 nan 0.000 0.434 283 L N -0.591 120.617 121.223 -0.026 0.000 2.552 283 L HA -0.018 4.322 4.340 -0.000 0.000 0.227 283 L C 1.113 177.976 176.870 -0.012 0.000 1.146 283 L CA 0.054 54.885 54.840 -0.015 0.000 0.858 283 L CB -0.337 41.712 42.059 -0.016 0.000 0.969 283 L HN 0.178 nan 8.230 nan 0.000 0.451 284 R N 0.730 121.222 120.500 -0.015 0.000 2.570 284 R HA 0.332 4.672 4.340 -0.000 0.000 0.277 284 R C 0.384 176.679 176.300 -0.008 0.000 1.039 284 R CA 0.681 56.774 56.100 -0.012 0.000 1.065 284 R CB 0.232 30.523 30.300 -0.015 0.000 0.964 284 R HN 0.206 nan 8.270 nan 0.000 0.428 285 G N 1.801 110.598 108.800 -0.006 0.000 3.322 285 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 285 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 285 G C -0.338 174.561 174.900 -0.001 0.000 1.015 285 G CA -0.910 44.188 45.100 -0.003 0.000 0.826 285 G HN 0.530 nan 8.290 nan 0.000 0.538 286 T N 3.729 118.283 114.554 -0.001 0.000 2.695 286 T HA 0.256 4.606 4.350 -0.000 0.000 0.264 286 T C 0.721 175.422 174.700 0.002 0.000 0.993 286 T CA 0.841 62.941 62.100 0.000 0.000 1.248 286 T CB -0.058 68.810 68.868 0.001 0.000 0.946 286 T HN 0.571 nan 8.240 nan 0.000 0.526 287 K N 1.812 122.214 120.400 0.003 0.000 2.316 287 K HA 0.667 4.987 4.320 -0.000 0.000 0.251 287 K C -0.039 176.564 176.600 0.005 0.000 0.934 287 K CA -0.930 55.360 56.287 0.005 0.000 0.802 287 K CB 2.121 34.626 32.500 0.007 0.000 1.171 287 K HN 0.535 nan 8.250 nan 0.000 0.426 288 A N 2.143 124.966 122.820 0.006 0.000 2.462 288 A HA 0.030 4.350 4.320 -0.000 0.000 0.243 288 A C 1.115 178.703 177.584 0.008 0.000 1.076 288 A CA -0.207 51.833 52.037 0.005 0.000 0.773 288 A CB 0.102 19.104 19.000 0.003 0.000 1.010 288 A HN 0.788 nan 8.150 nan 0.000 0.493 289 L N 2.214 123.440 121.223 0.006 0.000 2.129 289 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 289 L C 2.598 179.475 176.870 0.012 0.000 1.087 289 L CA 2.845 57.690 54.840 0.009 0.000 0.757 289 L CB -0.483 41.578 42.059 0.003 0.000 0.896 289 L HN 0.913 nan 8.230 nan 0.000 0.434 290 T N -3.960 110.598 114.554 0.007 0.000 3.144 290 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 290 T C 0.730 175.436 174.700 0.010 0.000 1.089 290 T CA -0.356 61.747 62.100 0.005 0.000 0.989 290 T CB -0.374 68.493 68.868 -0.002 0.000 0.992 290 T HN 0.349 nan 8.240 nan 0.000 0.540 291 E N 1.744 121.953 120.200 0.015 0.000 2.316 291 E HA 0.286 4.636 4.350 -0.000 0.000 0.275 291 E C -0.682 175.938 176.600 0.032 0.000 1.029 291 E CA -0.488 55.923 56.400 0.019 0.000 0.871 291 E CB 0.873 30.583 29.700 0.016 0.000 1.022 291 E HN 0.088 nan 8.360 nan 0.000 0.418 292 V N 6.446 126.378 119.914 0.031 0.000 2.555 292 V HA 0.151 4.271 4.120 -0.000 0.000 0.286 292 V C 0.421 176.549 176.094 0.057 0.000 1.044 292 V CA 0.130 62.459 62.300 0.049 0.000 1.026 292 V CB 0.692 32.534 31.823 0.033 0.000 0.981 292 V HN 0.601 nan 8.190 nan 0.000 0.480 293 I N 6.782 127.405 120.570 0.088 0.000 2.410 293 I HA 0.370 4.540 4.170 -0.000 0.000 0.286 293 I C -2.398 173.770 176.117 0.084 0.000 1.009 293 I CA -1.947 59.394 61.300 0.069 0.000 1.111 293 I CB 2.327 40.360 38.000 0.054 0.000 1.262 293 I HN 0.462 nan 8.210 nan 0.000 0.443 294 P HA 0.151 nan 4.420 nan 0.000 0.271 294 P C -0.781 176.537 177.300 0.030 0.000 1.220 294 P CA -0.378 62.755 63.100 0.055 0.000 0.768 294 P CB 0.470 32.190 31.700 0.033 0.000 0.848 295 L N 3.351 124.594 121.223 0.033 0.000 2.380 295 L HA 0.259 4.599 4.340 -0.000 0.000 0.273 295 L C 1.281 178.137 176.870 -0.023 0.000 1.138 295 L CA 0.530 55.353 54.840 -0.028 0.000 0.832 295 L CB 0.130 42.153 42.059 -0.061 0.000 1.124 295 L HN 0.447 nan 8.230 nan 0.000 0.454 296 T N -1.098 113.432 114.554 -0.040 0.000 2.824 296 T HA 0.226 4.576 4.350 -0.000 0.000 0.277 296 T C 1.049 175.727 174.700 -0.038 0.000 0.975 296 T CA -0.692 61.388 62.100 -0.032 0.000 0.966 296 T CB 0.894 69.740 68.868 -0.036 0.000 1.054 296 T HN 0.526 nan 8.240 nan 0.000 0.533 297 E N 0.757 120.938 120.200 -0.031 0.000 2.033 297 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 297 E C 2.045 178.619 176.600 -0.043 0.000 1.011 297 E CA 1.788 58.169 56.400 -0.032 0.000 0.815 297 E CB -0.375 29.309 29.700 -0.027 0.000 0.755 297 E HN 0.749 nan 8.360 nan 0.000 0.451 298 E N 0.813 120.985 120.200 -0.047 0.000 2.049 298 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 298 E C 1.962 178.521 176.600 -0.069 0.000 1.007 298 E CA 1.507 57.874 56.400 -0.056 0.000 0.809 298 E CB -0.592 29.074 29.700 -0.056 0.000 0.749 298 E HN 0.319 nan 8.360 nan 0.000 0.450 299 A N 1.394 124.166 122.820 -0.079 0.000 1.884 299 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 299 A C 2.087 179.602 177.584 -0.116 0.000 1.197 299 A CA 1.971 53.942 52.037 -0.110 0.000 0.637 299 A CB -0.634 18.291 19.000 -0.125 0.000 0.827 299 A HN 0.141 nan 8.150 nan 0.000 0.450 300 E N -0.444 119.703 120.200 -0.089 0.000 2.049 300 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 300 E C 2.036 178.598 176.600 -0.064 0.000 1.007 300 E CA 1.292 57.651 56.400 -0.070 0.000 0.809 300 E CB -0.562 29.116 29.700 -0.038 0.000 0.749 300 E HN 0.446 nan 8.360 nan 0.000 0.450 301 L N 1.192 122.381 121.223 -0.057 0.000 1.989 301 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 301 L C 2.429 179.262 176.870 -0.062 0.000 1.071 301 L CA 1.634 56.443 54.840 -0.052 0.000 0.749 301 L CB -1.234 40.797 42.059 -0.047 0.000 0.890 301 L HN 0.224 nan 8.230 nan 0.000 0.431 302 E N -0.488 119.667 120.200 -0.075 0.000 2.058 302 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 302 E C 2.252 178.796 176.600 -0.093 0.000 0.997 302 E CA 1.176 57.526 56.400 -0.082 0.000 0.801 302 E CB -0.134 29.511 29.700 -0.091 0.000 0.746 302 E HN 0.254 nan 8.360 nan 0.000 0.450 303 L N 0.743 121.896 121.223 -0.116 0.000 2.083 303 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 303 L C 2.144 178.964 176.870 -0.084 0.000 1.083 303 L CA 2.077 56.839 54.840 -0.131 0.000 0.752 303 L CB -0.740 41.207 42.059 -0.187 0.000 0.899 303 L HN 0.167 nan 8.230 nan 0.000 0.433 304 A N -0.521 122.260 122.820 -0.065 0.000 1.851 304 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 304 A C 2.147 179.705 177.584 -0.043 0.000 1.195 304 A CA 1.914 53.925 52.037 -0.042 0.000 0.622 304 A CB -0.782 18.197 19.000 -0.035 0.000 0.831 304 A HN 0.588 nan 8.150 nan 0.000 0.444 305 E N -0.159 120.012 120.200 -0.048 0.000 2.070 305 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 305 E C 1.904 178.475 176.600 -0.049 0.000 1.004 305 E CA 1.266 57.639 56.400 -0.045 0.000 0.805 305 E CB -0.309 29.362 29.700 -0.048 0.000 0.744 305 E HN 0.541 nan 8.360 nan 0.000 0.451 306 N N 0.861 119.524 118.700 -0.061 0.000 2.104 306 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 306 N C 1.726 177.191 175.510 -0.076 0.000 1.024 306 N CA 1.098 54.104 53.050 -0.073 0.000 0.853 306 N CB -0.267 38.169 38.487 -0.085 0.000 1.008 306 N HN 0.206 nan 8.380 nan 0.000 0.424 307 R N 0.638 121.102 120.500 -0.060 0.000 2.096 307 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 307 R C 2.018 178.292 176.300 -0.044 0.000 1.127 307 R CA 1.147 57.218 56.100 -0.048 0.000 0.968 307 R CB -0.260 30.026 30.300 -0.024 0.000 0.861 307 R HN 0.305 nan 8.270 nan 0.000 0.440 308 E N 1.518 121.697 120.200 -0.035 0.000 2.038 308 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 308 E C 1.859 178.446 176.600 -0.021 0.000 1.000 308 E CA 1.369 57.755 56.400 -0.025 0.000 0.803 308 E CB -0.192 29.494 29.700 -0.023 0.000 0.750 308 E HN 0.274 nan 8.360 nan 0.000 0.448 309 I N 0.373 120.927 120.570 -0.027 0.000 2.264 309 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 309 I C 2.144 178.254 176.117 -0.012 0.000 1.111 309 I CA 0.966 62.265 61.300 -0.001 0.000 1.382 309 I CB -0.258 37.739 38.000 -0.005 0.000 1.060 309 I HN 0.197 nan 8.210 nan 0.000 0.418 310 L N 0.923 122.075 121.223 -0.119 0.000 2.478 310 L HA -0.105 4.235 4.340 -0.000 0.000 0.223 310 L C 2.582 179.400 176.870 -0.086 0.000 1.140 310 L CA 0.544 55.246 54.840 -0.230 0.000 0.842 310 L CB -0.522 41.371 42.059 -0.276 0.000 0.953 310 L HN 0.340 nan 8.230 nan 0.000 0.452 311 K N 1.257 121.641 120.400 -0.027 0.000 2.032 311 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 311 K C 0.602 177.223 176.600 0.035 0.000 1.048 311 K CA 0.992 57.280 56.287 0.002 0.000 0.927 311 K CB -0.362 32.139 32.500 0.002 0.000 0.712 311 K HN 0.298 nan 8.250 nan 0.000 0.441 312 E N 2.433 122.669 120.200 0.060 0.000 2.146 312 E HA 0.298 4.648 4.350 -0.000 0.000 0.282 312 E C -2.584 174.100 176.600 0.139 0.000 0.989 312 E CA -2.874 53.571 56.400 0.074 0.000 0.799 312 E CB 0.951 30.679 29.700 0.047 0.000 1.088 312 E HN 0.010 nan 8.360 nan 0.000 0.397 313 P HA 0.005 nan 4.420 nan 0.000 0.266 313 P C -0.817 176.511 177.300 0.047 0.000 1.195 313 P CA -0.046 63.142 63.100 0.147 0.000 0.768 313 P CB 0.693 32.474 31.700 0.135 0.000 0.838 314 V N 3.442 123.237 119.914 -0.200 0.000 2.823 314 V HA 0.428 4.548 4.120 -0.000 0.000 0.312 314 V C -0.413 175.349 176.094 -0.553 0.000 1.072 314 V CA -0.529 61.529 62.300 -0.403 0.000 0.937 314 V CB 1.938 33.290 31.823 -0.785 0.000 1.013 314 V HN 0.585 nan 8.190 nan 0.000 0.430 315 H N 0.514 119.295 119.070 -0.482 0.000 2.797 315 H HA 0.775 5.331 4.556 -0.000 0.000 0.372 315 H C 0.261 175.170 175.328 -0.698 0.000 1.168 315 H CA 0.008 55.711 56.048 -0.576 0.000 1.163 315 H CB 2.037 31.539 29.762 -0.435 0.000 1.778 315 H HN 0.939 nan 8.280 nan 0.000 0.551 316 G N 0.420 108.629 108.800 -0.985 0.000 2.388 316 G HA2 0.471 4.431 3.960 -0.000 0.000 0.330 316 G HA3 0.471 4.431 3.960 -0.000 0.000 0.330 316 G C -0.712 173.846 174.900 -0.570 0.000 1.142 316 G CA -0.503 44.023 45.100 -0.957 0.000 0.908 316 G HN 0.526 nan 8.290 nan 0.000 0.473 317 V N 2.052 121.857 119.914 -0.181 0.000 3.170 317 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 317 V C -0.503 175.638 176.094 0.079 0.000 1.071 317 V CA -0.869 61.386 62.300 -0.075 0.000 1.063 317 V CB 1.017 32.841 31.823 0.002 0.000 1.123 317 V HN 0.624 nan 8.190 nan 0.000 0.464 318 Y N 2.036 122.496 120.300 0.266 0.000 2.392 318 Y HA 0.370 4.920 4.550 -0.000 0.000 0.323 318 Y C -0.308 175.760 175.900 0.280 0.000 1.291 318 Y CA -0.184 58.093 58.100 0.295 0.000 1.345 318 Y CB 0.880 39.468 38.460 0.214 0.000 1.320 318 Y HN 0.694 nan 8.280 nan 0.000 0.518 319 Y N 2.029 122.556 120.300 0.378 0.000 2.335 319 Y HA 0.144 4.694 4.550 -0.000 0.000 0.331 319 Y C -0.519 175.456 175.900 0.125 0.000 1.094 319 Y CA -1.129 57.103 58.100 0.219 0.000 1.253 319 Y CB 0.499 39.158 38.460 0.333 0.000 1.203 319 Y HN 0.451 nan 8.280 nan 0.000 0.508 320 D N 8.407 128.566 120.400 -0.402 0.000 2.441 320 D HA 0.306 4.946 4.640 -0.000 0.000 0.231 320 D C -2.213 173.541 176.300 -0.909 0.000 1.073 320 D CA -2.554 51.157 54.000 -0.481 0.000 0.850 320 D CB 1.958 42.636 40.800 -0.203 0.000 1.062 320 D HN 0.330 nan 8.370 nan 0.000 0.524 321 P HA -0.117 nan 4.420 nan 0.000 0.221 321 P C 1.037 178.172 177.300 -0.275 0.000 1.145 321 P CA 0.882 63.586 63.100 -0.661 0.000 0.795 321 P CB 0.195 31.718 31.700 -0.295 0.000 0.775 322 S N -2.752 112.808 115.700 -0.233 0.000 2.593 322 S HA 0.125 4.595 4.470 -0.000 0.000 0.217 322 S C 0.728 175.266 174.600 -0.104 0.000 0.966 322 S CA -0.021 58.103 58.200 -0.126 0.000 0.914 322 S CB -0.431 62.708 63.200 -0.101 0.000 0.776 322 S HN 0.063 nan 8.310 nan 0.000 0.523 323 K N 0.741 121.065 120.400 -0.127 0.000 2.295 323 K HA 0.482 4.802 4.320 -0.000 0.000 0.239 323 K C -1.300 175.262 176.600 -0.063 0.000 0.991 323 K CA -0.927 55.309 56.287 -0.086 0.000 0.845 323 K CB 0.765 33.214 32.500 -0.085 0.000 1.197 323 K HN 0.021 nan 8.250 nan 0.000 0.441 324 D N 0.714 121.072 120.400 -0.070 0.000 2.383 324 D HA 0.237 4.877 4.640 -0.000 0.000 0.248 324 D C -0.496 175.712 176.300 -0.152 0.000 1.170 324 D CA -0.227 53.717 54.000 -0.093 0.000 0.977 324 D CB 0.627 41.367 40.800 -0.099 0.000 1.120 324 D HN -0.002 nan 8.370 nan 0.000 0.481 325 L N 1.522 122.604 121.223 -0.234 0.000 2.309 325 L HA 0.409 4.749 4.340 -0.000 0.000 0.282 325 L C -0.307 176.304 176.870 -0.432 0.000 1.036 325 L CA -0.539 54.065 54.840 -0.393 0.000 0.806 325 L CB 1.047 42.796 42.059 -0.516 0.000 1.220 325 L HN 0.224 nan 8.230 nan 0.000 0.429 326 I N 2.717 122.948 120.570 -0.565 0.000 2.436 326 I HA 0.590 4.760 4.170 -0.000 0.000 0.289 326 I C 0.088 175.752 176.117 -0.755 0.000 1.010 326 I CA -0.679 60.229 61.300 -0.654 0.000 1.098 326 I CB 1.589 39.126 38.000 -0.772 0.000 1.266 326 I HN 0.610 nan 8.210 nan 0.000 0.434 327 A N 6.177 128.620 122.820 -0.628 0.000 2.331 327 A HA 0.748 5.068 4.320 -0.000 0.000 0.320 327 A C -0.410 177.042 177.584 -0.219 0.000 1.138 327 A CA -0.560 51.194 52.037 -0.472 0.000 0.790 327 A CB 1.205 19.788 19.000 -0.694 0.000 1.206 327 A HN 0.732 nan 8.150 nan 0.000 0.470 328 E N 1.628 121.813 120.200 -0.024 0.000 2.210 328 E HA 0.562 4.912 4.350 -0.000 0.000 0.266 328 E C -1.293 175.421 176.600 0.191 0.000 0.883 328 E CA -0.373 56.091 56.400 0.106 0.000 0.761 328 E CB 2.257 32.057 29.700 0.166 0.000 1.156 328 E HN 0.617 nan 8.360 nan 0.000 0.412 329 I N 2.780 123.465 120.570 0.191 0.000 2.436 329 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 329 I C -0.666 175.599 176.117 0.247 0.000 1.010 329 I CA -0.866 60.585 61.300 0.251 0.000 1.098 329 I CB 1.640 39.758 38.000 0.197 0.000 1.266 329 I HN 0.334 nan 8.210 nan 0.000 0.434 330 Q N 4.866 124.817 119.800 0.251 0.000 2.306 330 Q HA 0.423 4.763 4.340 -0.000 0.000 0.265 330 Q C -0.611 175.472 176.000 0.139 0.000 1.022 330 Q CA -0.803 55.098 55.803 0.164 0.000 0.853 330 Q CB 2.253 31.034 28.738 0.071 0.000 1.327 330 Q HN 0.362 nan 8.270 nan 0.000 0.449 331 K N 2.072 122.445 120.400 -0.044 0.000 2.248 331 K HA 0.243 4.563 4.320 -0.000 0.000 0.281 331 K C -0.511 175.878 176.600 -0.350 0.000 1.054 331 K CA -0.005 55.983 56.287 -0.498 0.000 0.903 331 K CB 0.668 32.794 32.500 -0.623 0.000 1.077 331 K HN 0.623 nan 8.250 nan 0.000 0.474 332 Q N 1.736 121.297 119.800 -0.398 0.000 2.796 332 Q HA 0.315 4.655 4.340 -0.000 0.000 0.178 332 Q C 0.534 176.363 176.000 -0.286 0.000 1.063 332 Q CA -0.939 54.716 55.803 -0.247 0.000 0.848 332 Q CB 0.144 28.780 28.738 -0.170 0.000 3.016 332 Q HN 0.811 nan 8.270 nan 0.000 0.413 333 G N 0.604 109.280 108.800 -0.206 0.000 2.760 333 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.236 333 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.236 333 G C -0.349 174.408 174.900 -0.237 0.000 1.243 333 G CA -0.173 44.816 45.100 -0.185 0.000 0.850 333 G HN 0.292 nan 8.290 nan 0.000 0.595 334 Q N -0.350 119.340 119.800 -0.183 0.000 2.310 334 Q HA 0.353 4.693 4.340 -0.000 0.000 0.315 334 Q C 1.581 177.491 176.000 -0.150 0.000 1.081 334 Q CA 1.950 57.653 55.803 -0.166 0.000 0.981 334 Q CB 0.485 29.156 28.738 -0.111 0.000 1.184 334 Q HN 1.440 nan 8.270 nan 0.000 0.389 335 G N 2.226 110.956 108.800 -0.117 0.000 2.302 335 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 335 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 335 G C -0.083 174.783 174.900 -0.057 0.000 0.995 335 G CA 0.445 45.547 45.100 0.003 0.000 0.622 335 G HN 0.560 nan 8.290 nan 0.000 0.538 336 Q N -0.553 119.089 119.800 -0.263 0.000 2.274 336 Q HA 0.533 4.873 4.340 -0.000 0.000 0.256 336 Q C -0.895 174.853 176.000 -0.421 0.000 0.927 336 Q CA -0.413 55.266 55.803 -0.208 0.000 0.939 336 Q CB 0.834 29.476 28.738 -0.160 0.000 1.201 336 Q HN 0.436 nan 8.270 nan 0.000 0.426 337 W N 0.890 122.237 121.300 0.078 0.000 2.819 337 W HA 0.468 5.128 4.660 -0.000 0.000 0.337 337 W C -0.084 176.532 176.519 0.162 0.000 1.077 337 W CA -0.585 56.844 57.345 0.141 0.000 1.226 337 W CB 2.115 31.717 29.460 0.235 0.000 1.419 337 W HN 0.359 nan 8.180 nan 0.000 0.502 338 T N 2.077 116.840 114.554 0.349 0.000 2.906 338 T HA 0.761 5.111 4.350 -0.000 0.000 0.295 338 T C -1.585 173.299 174.700 0.306 0.000 1.061 338 T CA -0.448 61.782 62.100 0.217 0.000 1.000 338 T CB 0.944 69.853 68.868 0.069 0.000 1.103 338 T HN 0.380 nan 8.240 nan 0.000 0.486 339 Y N 0.737 121.120 120.300 0.139 0.000 2.597 339 Y HA 0.829 5.379 4.550 -0.000 0.000 0.340 339 Y C -1.471 174.486 175.900 0.094 0.000 1.097 339 Y CA -1.279 56.892 58.100 0.118 0.000 1.037 339 Y CB 1.208 39.740 38.460 0.120 0.000 1.305 339 Y HN 0.494 nan 8.280 nan 0.000 0.463 340 Q N 2.197 122.150 119.800 0.255 0.000 2.397 340 Q HA 0.706 5.046 4.340 -0.000 0.000 0.275 340 Q C -1.459 174.646 176.000 0.175 0.000 1.090 340 Q CA -0.608 55.305 55.803 0.183 0.000 0.809 340 Q CB 3.245 32.104 28.738 0.201 0.000 1.362 340 Q HN 0.758 nan 8.270 nan 0.000 0.431 341 I N 3.146 123.794 120.570 0.131 0.000 2.466 341 I HA 0.542 4.712 4.170 -0.000 0.000 0.289 341 I C -1.180 174.912 176.117 -0.042 0.000 1.026 341 I CA -1.035 60.223 61.300 -0.070 0.000 1.078 341 I CB 0.878 38.857 38.000 -0.036 0.000 1.249 341 I HN 0.673 nan 8.210 nan 0.000 0.429 342 Y N 3.365 123.604 120.300 -0.101 0.000 2.677 342 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 342 Y C -0.110 175.701 175.900 -0.149 0.000 1.154 342 Y CA -0.906 57.137 58.100 -0.095 0.000 1.070 342 Y CB 1.117 39.555 38.460 -0.036 0.000 1.294 342 Y HN 0.432 nan 8.280 nan 0.000 0.475 343 Q N -0.281 119.626 119.800 0.179 0.000 2.471 343 Q HA 0.175 4.515 4.340 -0.000 0.000 0.259 343 Q C -0.569 175.507 176.000 0.128 0.000 0.850 343 Q CA 0.116 55.956 55.803 0.061 0.000 0.981 343 Q CB 1.357 30.089 28.738 -0.011 0.000 1.180 343 Q HN 0.740 nan 8.270 nan 0.000 0.571 344 E N 1.948 122.203 120.200 0.091 0.000 2.165 344 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 344 E C -2.586 173.839 176.600 -0.292 0.000 0.889 344 E CA -2.519 53.840 56.400 -0.068 0.000 0.756 344 E CB 1.422 31.068 29.700 -0.089 0.000 1.131 344 E HN -0.199 nan 8.360 nan 0.000 0.411 345 P HA -0.166 nan 4.420 nan 0.000 0.247 345 P C -0.751 175.800 177.300 -1.248 0.000 1.115 345 P CA 1.288 63.553 63.100 -1.392 0.000 0.799 345 P CB -0.424 30.538 31.700 -1.231 0.000 0.721 346 F N -0.009 119.411 119.950 -0.884 0.000 2.699 346 F HA -0.262 4.265 4.527 -0.000 0.000 0.343 346 F C 0.801 176.456 175.800 -0.242 0.000 0.633 346 F CA 0.145 57.874 58.000 -0.451 0.000 1.365 346 F CB -1.414 37.404 39.000 -0.304 0.000 1.795 346 F HN 0.288 nan 8.300 nan 0.000 0.304 347 K N 1.987 122.332 120.400 -0.093 0.000 2.229 347 K HA 0.205 4.525 4.320 -0.000 0.000 0.247 347 K C -0.004 176.621 176.600 0.041 0.000 1.117 347 K CA -0.458 55.808 56.287 -0.035 0.000 1.036 347 K CB 0.187 32.657 32.500 -0.051 0.000 1.654 347 K HN 0.039 nan 8.250 nan 0.000 0.405 348 N N 2.163 120.895 118.700 0.054 0.000 2.412 348 N HA -0.056 4.684 4.740 -0.000 0.000 0.254 348 N C 0.926 176.496 175.510 0.101 0.000 1.232 348 N CA 0.277 53.393 53.050 0.111 0.000 0.880 348 N CB 0.745 39.264 38.487 0.054 0.000 1.076 348 N HN 0.386 nan 8.380 nan 0.000 0.458 349 L N 1.279 122.607 121.223 0.176 0.000 2.168 349 L HA 0.120 4.460 4.340 -0.000 0.000 0.203 349 L C 0.992 178.144 176.870 0.470 0.000 1.078 349 L CA 0.883 55.902 54.840 0.298 0.000 0.780 349 L CB 0.119 42.311 42.059 0.221 0.000 0.939 349 L HN 0.536 nan 8.230 nan 0.000 0.451 350 K N -1.801 118.808 120.400 0.347 0.000 2.575 350 K HA 0.364 4.684 4.320 -0.000 0.000 0.279 350 K C -1.332 175.374 176.600 0.178 0.000 0.969 350 K CA -0.547 55.956 56.287 0.360 0.000 0.868 350 K CB 2.207 34.885 32.500 0.297 0.000 1.457 350 K HN -0.310 nan 8.250 nan 0.000 0.426 351 T N -0.063 114.541 114.554 0.085 0.000 2.907 351 T HA 0.855 5.205 4.350 -0.000 0.000 0.290 351 T C -0.889 173.622 174.700 -0.315 0.000 1.066 351 T CA -0.289 61.746 62.100 -0.108 0.000 1.012 351 T CB 1.754 70.571 68.868 -0.084 0.000 1.184 351 T HN 0.791 nan 8.240 nan 0.000 0.522 352 G N 0.695 109.047 108.800 -0.748 0.000 2.495 352 G HA2 0.654 4.614 3.960 -0.000 0.000 0.294 352 G HA3 0.654 4.614 3.960 -0.000 0.000 0.294 352 G C -2.224 172.252 174.900 -0.707 0.000 1.397 352 G CA -0.945 43.651 45.100 -0.840 0.000 0.790 352 G HN 0.814 nan 8.290 nan 0.000 0.486 353 K N -1.302 119.019 120.400 -0.132 0.000 2.546 353 K HA 0.688 5.008 4.320 -0.000 0.000 0.264 353 K C -2.323 174.504 176.600 0.379 0.000 0.937 353 K CA -1.104 55.272 56.287 0.149 0.000 0.833 353 K CB 2.637 35.178 32.500 0.068 0.000 1.378 353 K HN 0.719 nan 8.250 nan 0.000 0.432 354 Y N 0.902 121.382 120.300 0.300 0.000 2.406 354 Y HA 0.626 5.176 4.550 -0.000 0.000 0.340 354 Y C -0.703 175.366 175.900 0.282 0.000 0.975 354 Y CA -0.101 58.152 58.100 0.256 0.000 1.056 354 Y CB 2.315 40.902 38.460 0.211 0.000 1.210 354 Y HN 0.876 nan 8.280 nan 0.000 0.448 355 A N 4.980 127.534 122.820 -0.444 0.000 2.010 355 A HA 0.239 4.559 4.320 -0.000 0.000 0.193 355 A C 0.547 177.848 177.584 -0.472 0.000 1.659 355 A CA -0.362 51.498 52.037 -0.295 0.000 1.175 355 A CB -0.114 18.819 19.000 -0.111 0.000 1.301 355 A HN 0.674 nan 8.150 nan 0.000 0.448 356 R N 1.319 121.472 120.500 -0.579 0.000 2.652 356 R HA -0.159 4.181 4.340 -0.000 0.000 0.266 356 R C 1.441 177.609 176.300 -0.219 0.000 0.866 356 R CA 0.843 56.741 56.100 -0.336 0.000 1.107 356 R CB 0.089 30.250 30.300 -0.232 0.000 0.884 356 R HN 0.711 nan 8.270 nan 0.000 0.421 357 M N 3.258 122.809 119.600 -0.083 0.000 2.066 357 M HA -0.117 4.363 4.480 -0.000 0.000 0.259 357 M C 0.924 177.241 176.300 0.028 0.000 1.074 357 M CA 1.595 56.883 55.300 -0.020 0.000 1.114 357 M CB -0.186 32.406 32.600 -0.014 0.000 1.306 357 M HN 0.665 nan 8.290 nan 0.000 0.411 358 R N 1.702 122.225 120.500 0.038 0.000 3.056 358 R HA -0.011 4.329 4.340 -0.000 0.000 0.264 358 R C -0.163 176.176 176.300 0.066 0.000 1.005 358 R CA 0.833 56.976 56.100 0.071 0.000 0.665 358 R CB -1.826 28.543 30.300 0.115 0.000 1.296 358 R HN 1.467 nan 8.270 nan 0.000 0.404 359 G N -0.398 108.425 108.800 0.038 0.000 2.716 359 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 359 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 359 G C 0.035 174.915 174.900 -0.033 0.000 1.337 359 G CA -0.244 44.866 45.100 0.018 0.000 0.829 359 G HN 1.227 nan 8.290 nan 0.000 0.599 360 A N 1.375 124.105 122.820 -0.151 0.000 2.351 360 A HA 0.788 5.108 4.320 -0.000 0.000 0.257 360 A C 0.720 178.094 177.584 -0.351 0.000 1.087 360 A CA 0.991 52.837 52.037 -0.320 0.000 0.798 360 A CB -0.015 18.656 19.000 -0.549 0.000 1.033 360 A HN 2.388 nan 8.150 nan 0.000 0.488 361 H N -1.678 117.433 119.070 0.067 0.000 4.024 361 H HA -0.021 4.535 4.556 -0.000 0.000 0.307 361 H C -0.209 175.169 175.328 0.084 0.000 0.778 361 H CA 0.740 56.833 56.048 0.075 0.000 0.888 361 H CB -1.106 28.708 29.762 0.086 0.000 1.321 361 H HN 1.085 nan 8.280 nan 0.000 0.330 362 T N 1.609 116.267 114.554 0.173 0.000 2.700 362 T HA 0.489 4.839 4.350 -0.000 0.000 0.307 362 T C -1.688 173.034 174.700 0.037 0.000 1.580 362 T CA -0.497 61.661 62.100 0.096 0.000 0.992 362 T CB 1.519 70.437 68.868 0.083 0.000 1.577 362 T HN 0.876 nan 8.240 nan 0.000 0.496 363 N N 0.231 118.895 118.700 -0.060 0.000 2.329 363 N HA 0.428 5.168 4.740 -0.000 0.000 0.282 363 N C 0.089 175.540 175.510 -0.098 0.000 1.198 363 N CA -0.716 52.279 53.050 -0.092 0.000 0.790 363 N CB 0.836 39.188 38.487 -0.224 0.000 1.579 363 N HN 0.379 nan 8.380 nan 0.000 0.475 364 D N 0.128 120.554 120.400 0.044 0.000 2.218 364 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 364 D C 1.563 177.826 176.300 -0.061 0.000 1.007 364 D CA 1.356 55.465 54.000 0.181 0.000 0.879 364 D CB -0.131 40.843 40.800 0.290 0.000 0.918 364 D HN 0.408 nan 8.370 nan 0.000 0.449 365 V N 0.500 120.226 119.914 -0.314 0.000 2.358 365 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 365 V C 2.365 178.178 176.094 -0.467 0.000 1.047 365 V CA 1.545 63.558 62.300 -0.479 0.000 1.035 365 V CB -0.358 30.911 31.823 -0.924 0.000 0.658 365 V HN 0.138 nan 8.190 nan 0.000 0.452 366 K N -0.337 119.756 120.400 -0.512 0.000 2.057 366 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 366 K C 2.363 178.838 176.600 -0.210 0.000 1.050 366 K CA 1.357 57.471 56.287 -0.289 0.000 0.935 366 K CB -0.183 32.193 32.500 -0.207 0.000 0.715 366 K HN 0.512 nan 8.250 nan 0.000 0.439 367 Q N 0.373 120.058 119.800 -0.191 0.000 2.084 367 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 367 Q C 2.195 177.820 176.000 -0.625 0.000 0.978 367 Q CA 1.073 56.756 55.803 -0.200 0.000 0.844 367 Q CB -0.179 28.587 28.738 0.047 0.000 0.898 367 Q HN 0.198 nan 8.270 nan 0.000 0.426 368 L N 0.713 121.456 121.223 -0.800 0.000 2.046 368 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 368 L C 2.098 178.542 176.870 -0.711 0.000 1.077 368 L CA 1.963 56.209 54.840 -0.991 0.000 0.747 368 L CB -0.853 40.778 42.059 -0.714 0.000 0.896 368 L HN 0.085 nan 8.230 nan 0.000 0.432 369 T N -0.557 113.703 114.554 -0.489 0.000 2.788 369 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 369 T C 1.702 176.142 174.700 -0.432 0.000 1.044 369 T CA 1.703 63.560 62.100 -0.406 0.000 1.139 369 T CB -0.175 68.622 68.868 -0.117 0.000 0.867 369 T HN 0.472 nan 8.240 nan 0.000 0.454 370 E N 0.922 120.877 120.200 -0.410 0.000 2.106 370 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 370 E C 2.523 178.663 176.600 -0.767 0.000 0.984 370 E CA 0.909 57.047 56.400 -0.437 0.000 0.806 370 E CB -0.193 29.351 29.700 -0.260 0.000 0.750 370 E HN 0.461 nan 8.360 nan 0.000 0.458 371 A N 0.808 123.043 122.820 -0.975 0.000 1.902 371 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 371 A C 2.464 179.634 177.584 -0.689 0.000 1.181 371 A CA 1.126 52.557 52.037 -1.009 0.000 0.623 371 A CB -0.638 17.897 19.000 -0.775 0.000 0.818 371 A HN 0.130 nan 8.150 nan 0.000 0.443 372 V N -0.070 119.427 119.914 -0.696 0.000 2.490 372 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 372 V C 2.738 178.515 176.094 -0.528 0.000 1.061 372 V CA 2.006 63.840 62.300 -0.776 0.000 1.064 372 V CB -0.647 30.533 31.823 -1.071 0.000 0.670 372 V HN 0.532 nan 8.190 nan 0.000 0.461 373 Q N -0.337 119.204 119.800 -0.432 0.000 2.083 373 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 373 Q C 2.415 178.288 176.000 -0.213 0.000 0.969 373 Q CA 1.178 56.820 55.803 -0.268 0.000 0.838 373 Q CB -0.267 28.345 28.738 -0.210 0.000 0.900 373 Q HN 0.494 nan 8.270 nan 0.000 0.436 374 K N 0.740 120.970 120.400 -0.285 0.000 2.001 374 K HA -0.112 4.208 4.320 -0.000 0.000 0.214 374 K C 2.254 178.754 176.600 -0.168 0.000 1.050 374 K CA 1.075 57.242 56.287 -0.200 0.000 0.934 374 K CB -0.654 31.704 32.500 -0.237 0.000 0.718 374 K HN 0.248 nan 8.250 nan 0.000 0.443 375 I N 1.025 121.440 120.570 -0.257 0.000 2.194 375 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 375 I C 2.263 178.369 176.117 -0.019 0.000 1.093 375 I CA 1.435 62.611 61.300 -0.206 0.000 1.355 375 I CB -0.627 37.205 38.000 -0.280 0.000 1.046 375 I HN 0.201 nan 8.210 nan 0.000 0.413 376 T N 0.013 114.586 114.554 0.032 0.000 2.652 376 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 376 T C 1.933 176.644 174.700 0.018 0.000 1.039 376 T CA 2.164 64.305 62.100 0.069 0.000 1.153 376 T CB -0.442 68.443 68.868 0.029 0.000 0.863 376 T HN 0.371 nan 8.240 nan 0.000 0.428 377 T N 1.538 116.081 114.554 -0.018 0.000 2.684 377 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 377 T C 1.935 176.619 174.700 -0.026 0.000 1.036 377 T CA 1.667 63.758 62.100 -0.016 0.000 1.148 377 T CB -0.352 68.503 68.868 -0.022 0.000 0.863 377 T HN 0.571 nan 8.240 nan 0.000 0.436 378 E N 0.605 120.783 120.200 -0.037 0.000 2.058 378 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 378 E C 2.370 178.907 176.600 -0.105 0.000 0.997 378 E CA 1.450 57.809 56.400 -0.068 0.000 0.801 378 E CB -0.153 29.522 29.700 -0.042 0.000 0.746 378 E HN 0.327 nan 8.360 nan 0.000 0.450 379 S N 0.383 116.094 115.700 0.020 0.000 2.370 379 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 379 S C 1.938 176.577 174.600 0.065 0.000 1.033 379 S CA 1.273 59.580 58.200 0.178 0.000 1.011 379 S CB -0.267 63.075 63.200 0.236 0.000 0.852 379 S HN 0.312 nan 8.310 nan 0.000 0.457 380 I N 0.917 121.500 120.570 0.021 0.000 2.208 380 I HA -0.165 4.004 4.170 -0.000 0.000 0.245 380 I C 2.171 178.256 176.117 -0.054 0.000 1.097 380 I CA 0.931 62.235 61.300 0.007 0.000 1.363 380 I CB -0.509 37.499 38.000 0.015 0.000 1.051 380 I HN 0.160 nan 8.210 nan 0.000 0.413 381 V N 1.228 121.082 119.914 -0.100 0.000 2.261 381 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 381 V C 2.273 178.219 176.094 -0.247 0.000 1.047 381 V CA 1.960 64.180 62.300 -0.133 0.000 1.015 381 V CB -0.354 31.398 31.823 -0.119 0.000 0.642 381 V HN 0.320 nan 8.190 nan 0.000 0.446 382 I N -1.598 118.698 120.570 -0.457 0.000 2.233 382 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 382 I C 2.055 177.654 176.117 -0.864 0.000 1.093 382 I CA 1.619 62.423 61.300 -0.827 0.000 1.380 382 I CB -0.260 36.818 38.000 -1.538 0.000 1.067 382 I HN 0.409 nan 8.210 nan 0.000 0.413 383 W N 0.071 121.215 121.300 -0.260 0.000 2.871 383 W HA 0.379 5.039 4.660 -0.000 0.000 0.340 383 W C 1.407 177.823 176.519 -0.173 0.000 1.058 383 W CA 0.535 57.654 57.345 -0.376 0.000 1.633 383 W CB -0.245 28.820 29.460 -0.659 0.000 1.067 383 W HN 0.314 nan 8.180 nan 0.000 0.554 384 G N 2.681 111.509 108.800 0.046 0.000 2.160 384 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 384 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 384 G C 0.130 175.079 174.900 0.083 0.000 1.008 384 G CA 1.026 46.160 45.100 0.057 0.000 0.724 384 G HN 0.371 nan 8.290 nan 0.000 0.514 385 K N -1.342 119.119 120.400 0.102 0.000 2.568 385 K HA 0.647 4.967 4.320 -0.000 0.000 0.273 385 K C -0.164 176.472 176.600 0.060 0.000 0.951 385 K CA -0.391 55.942 56.287 0.077 0.000 0.854 385 K CB 0.818 33.365 32.500 0.078 0.000 1.424 385 K HN 0.479 nan 8.250 nan 0.000 0.427 386 T N 0.026 114.600 114.554 0.034 0.000 2.913 386 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 386 T C -1.941 172.705 174.700 -0.089 0.000 1.029 386 T CA -1.074 61.031 62.100 0.008 0.000 1.104 386 T CB 0.692 69.590 68.868 0.050 0.000 0.964 386 T HN 0.526 nan 8.240 nan 0.000 0.532 387 P HA 0.429 nan 4.420 nan 0.000 0.283 387 P C -0.961 176.064 177.300 -0.459 0.000 1.271 387 P CA -0.978 61.873 63.100 -0.416 0.000 0.841 387 P CB 1.090 32.419 31.700 -0.618 0.000 1.122 388 K N 0.931 121.104 120.400 -0.379 0.000 2.249 388 K HA 0.386 4.706 4.320 -0.000 0.000 0.280 388 K C -0.269 176.120 176.600 -0.352 0.000 1.033 388 K CA -0.145 56.004 56.287 -0.229 0.000 0.946 388 K CB 0.215 32.624 32.500 -0.151 0.000 1.005 388 K HN 0.315 nan 8.250 nan 0.000 0.469 389 F N 1.561 121.459 119.950 -0.088 0.000 2.403 389 F HA 0.352 4.879 4.527 -0.000 0.000 0.326 389 F C 0.412 176.211 175.800 -0.001 0.000 1.081 389 F CA -0.476 57.474 58.000 -0.084 0.000 1.041 389 F CB 1.347 40.263 39.000 -0.141 0.000 1.234 389 F HN 0.161 nan 8.300 nan 0.000 0.503 390 K N 3.422 123.936 120.400 0.189 0.000 2.616 390 K HA 0.511 4.831 4.320 -0.000 0.000 0.241 390 K C -1.537 175.146 176.600 0.139 0.000 0.961 390 K CA -0.280 56.096 56.287 0.147 0.000 0.942 390 K CB 1.185 33.730 32.500 0.075 0.000 1.153 390 K HN 0.457 nan 8.250 nan 0.000 0.452 391 L N 3.753 125.072 121.223 0.160 0.000 2.334 391 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 391 L C -1.910 175.004 176.870 0.073 0.000 1.013 391 L CA -2.191 52.678 54.840 0.048 0.000 0.816 391 L CB 1.736 43.672 42.059 -0.204 0.000 1.278 391 L HN 0.391 nan 8.230 nan 0.000 0.431 392 P HA 0.186 nan 4.420 nan 0.000 0.220 392 P C -0.594 176.862 177.300 0.259 0.000 1.778 392 P CA 0.408 63.561 63.100 0.088 0.000 0.912 392 P CB 0.235 31.999 31.700 0.107 0.000 1.861 393 I N -0.262 120.548 120.570 0.400 0.000 2.656 393 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 393 I C -0.506 175.985 176.117 0.622 0.000 1.144 393 I CA -0.953 60.586 61.300 0.399 0.000 1.038 393 I CB 2.571 40.653 38.000 0.137 0.000 1.244 393 I HN -0.193 nan 8.210 nan 0.000 0.420 394 Q N 6.229 126.216 119.800 0.313 0.000 2.330 394 Q HA 0.096 4.436 4.340 -0.000 0.000 0.279 394 Q C 0.650 176.843 176.000 0.323 0.000 1.024 394 Q CA -0.117 55.706 55.803 0.034 0.000 0.900 394 Q CB 0.930 29.604 28.738 -0.106 0.000 1.221 394 Q HN 0.553 nan 8.270 nan 0.000 0.396 395 K N 2.460 122.998 120.400 0.231 0.000 2.113 395 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 395 K C 1.496 178.303 176.600 0.344 0.000 1.047 395 K CA 1.516 57.988 56.287 0.309 0.000 0.928 395 K CB 0.255 32.740 32.500 -0.026 0.000 0.716 395 K HN 0.492 nan 8.250 nan 0.000 0.446 396 E N -0.225 120.076 120.200 0.169 0.000 2.031 396 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 396 E C 2.095 178.789 176.600 0.156 0.000 0.994 396 E CA 1.628 58.105 56.400 0.128 0.000 0.800 396 E CB -0.666 29.055 29.700 0.035 0.000 0.752 396 E HN 0.222 nan 8.360 nan 0.000 0.447 397 T N 0.985 115.629 114.554 0.149 0.000 2.665 397 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 397 T C 1.375 176.192 174.700 0.195 0.000 1.035 397 T CA 1.438 63.612 62.100 0.124 0.000 1.151 397 T CB -0.490 68.435 68.868 0.095 0.000 0.862 397 T HN 0.409 nan 8.240 nan 0.000 0.438 398 W N 2.057 123.480 121.300 0.206 0.000 2.355 398 W HA -0.131 4.529 4.660 -0.000 0.000 0.309 398 W C 2.053 178.810 176.519 0.397 0.000 1.206 398 W CA 1.455 58.959 57.345 0.265 0.000 1.284 398 W CB -0.412 29.230 29.460 0.303 0.000 1.145 398 W HN 0.370 nan 8.180 nan 0.000 0.502 399 E N -0.488 119.878 120.200 0.276 0.000 2.085 399 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 399 E C 2.240 178.836 176.600 -0.006 0.000 0.994 399 E CA 2.352 58.933 56.400 0.302 0.000 0.801 399 E CB -0.322 29.581 29.700 0.340 0.000 0.743 399 E HN 0.177 nan 8.360 nan 0.000 0.453 400 T N -0.642 113.900 114.554 -0.020 0.000 2.951 400 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 400 T C 1.383 175.999 174.700 -0.140 0.000 1.073 400 T CA 0.898 62.941 62.100 -0.095 0.000 1.134 400 T CB -0.277 68.570 68.868 -0.035 0.000 0.884 400 T HN 0.462 nan 8.240 nan 0.000 0.479 401 W N 0.116 121.239 121.300 -0.295 0.000 2.443 401 W HA 0.001 4.661 4.660 -0.000 0.000 0.296 401 W C 1.888 178.189 176.519 -0.364 0.000 1.202 401 W CA 0.739 57.875 57.345 -0.347 0.000 1.312 401 W CB -0.639 28.578 29.460 -0.405 0.000 1.120 401 W HN 0.504 nan 8.180 nan 0.000 0.536 402 W N 3.041 123.930 121.300 -0.686 0.000 2.379 402 W HA -0.201 4.459 4.660 -0.000 0.000 0.307 402 W C 2.522 178.816 176.519 -0.376 0.000 1.200 402 W CA 3.726 60.702 57.345 -0.614 0.000 1.297 402 W CB -0.991 28.092 29.460 -0.629 0.000 1.140 402 W HN -0.135 nan 8.180 nan 0.000 0.507 403 T N -1.430 112.468 114.554 -1.094 0.000 2.881 403 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 403 T C 1.304 175.644 174.700 -0.600 0.000 1.068 403 T CA 1.763 63.192 62.100 -1.120 0.000 1.131 403 T CB -0.384 67.902 68.868 -0.970 0.000 0.871 403 T HN 0.405 nan 8.240 nan 0.000 0.479 404 E N -0.650 119.248 120.200 -0.503 0.000 2.538 404 E HA 0.249 4.599 4.350 -0.000 0.000 0.207 404 E C -0.729 175.646 176.600 -0.374 0.000 1.002 404 E CA -0.518 55.660 56.400 -0.370 0.000 0.952 404 E CB 0.361 29.886 29.700 -0.291 0.000 1.031 404 E HN 0.526 nan 8.360 nan 0.000 0.476 405 Y N 0.983 120.858 120.300 -0.710 0.000 2.308 405 Y HA 0.031 4.581 4.550 -0.000 0.000 0.329 405 Y C 0.857 176.461 175.900 -0.493 0.000 1.111 405 Y CA -1.619 55.991 58.100 -0.815 0.000 1.179 405 Y CB 0.446 38.145 38.460 -1.268 0.000 1.201 405 Y HN 0.107 nan 8.280 nan 0.000 0.483 406 W N 3.484 124.415 121.300 -0.616 0.000 2.402 406 W HA -0.059 4.601 4.660 -0.000 0.000 0.286 406 W C -0.002 176.239 176.519 -0.463 0.000 1.221 406 W CA 0.335 57.401 57.345 -0.465 0.000 1.257 406 W CB -0.411 28.826 29.460 -0.372 0.000 1.120 406 W HN 0.519 nan 8.180 nan 0.000 0.551 407 Q N 1.632 120.438 119.800 -1.656 0.000 2.340 407 Q HA 0.400 4.740 4.340 -0.000 0.000 0.249 407 Q C -0.146 175.647 176.000 -0.346 0.000 0.957 407 Q CA -0.159 55.008 55.803 -1.061 0.000 0.882 407 Q CB 1.323 29.098 28.738 -1.606 0.000 1.235 407 Q HN 0.079 nan 8.270 nan 0.000 0.439 408 A N 2.891 125.666 122.820 -0.076 0.000 2.409 408 A HA 0.410 4.730 4.320 -0.000 0.000 0.262 408 A C -0.642 177.016 177.584 0.123 0.000 1.113 408 A CA 0.027 52.102 52.037 0.063 0.000 0.790 408 A CB 0.483 19.531 19.000 0.080 0.000 1.046 408 A HN 0.686 nan 8.150 nan 0.000 0.496 409 T N 3.280 117.970 114.554 0.226 0.000 2.928 409 T HA 0.453 4.803 4.350 -0.000 0.000 0.296 409 T C -0.717 174.190 174.700 0.346 0.000 1.000 409 T CA -0.342 61.930 62.100 0.287 0.000 0.989 409 T CB 0.861 69.948 68.868 0.366 0.000 1.005 409 T HN 0.801 nan 8.240 nan 0.000 0.442 410 W N 4.574 125.904 121.300 0.050 0.000 2.869 410 W HA 0.845 5.505 4.660 -0.000 0.000 0.345 410 W C -1.844 174.622 176.519 -0.088 0.000 1.191 410 W CA -1.306 56.017 57.345 -0.035 0.000 1.104 410 W CB 1.217 30.646 29.460 -0.051 0.000 1.471 410 W HN 0.643 nan 8.180 nan 0.000 0.612 411 I N 4.104 123.944 120.570 -1.216 0.000 2.750 411 I HA 0.156 4.326 4.170 -0.000 0.000 0.284 411 I C -2.468 172.766 176.117 -1.471 0.000 1.498 411 I CA -1.520 59.063 61.300 -1.196 0.000 1.078 411 I CB 2.106 39.408 38.000 -1.163 0.000 1.423 411 I HN 0.135 nan 8.210 nan 0.000 0.423 412 P HA -0.053 nan 4.420 nan 0.000 0.270 412 P C -0.787 176.361 177.300 -0.254 0.000 1.216 412 P CA 0.034 62.864 63.100 -0.449 0.000 0.788 412 P CB 0.402 32.062 31.700 -0.066 0.000 0.883 413 E N 1.781 121.930 120.200 -0.086 0.000 2.868 413 E HA -0.074 4.276 4.350 -0.000 0.000 0.246 413 E C -0.562 176.101 176.600 0.104 0.000 0.962 413 E CA 0.211 56.598 56.400 -0.022 0.000 0.955 413 E CB 0.050 29.747 29.700 -0.004 0.000 0.903 413 E HN 0.337 nan 8.360 nan 0.000 0.524 414 W N 3.342 124.541 121.300 -0.169 0.000 3.017 414 W HA 0.667 5.327 4.660 -0.000 0.000 0.341 414 W C -1.026 175.452 176.519 -0.068 0.000 1.180 414 W CA -1.124 56.155 57.345 -0.110 0.000 1.097 414 W CB 0.564 29.903 29.460 -0.201 0.000 1.468 414 W HN 0.357 nan 8.180 nan 0.000 0.584 415 E N 0.644 120.944 120.200 0.166 0.000 2.340 415 E HA 0.352 4.702 4.350 -0.000 0.000 0.273 415 E C -1.631 175.143 176.600 0.290 0.000 0.891 415 E CA -0.982 55.431 56.400 0.021 0.000 0.757 415 E CB 3.252 32.971 29.700 0.032 0.000 1.231 415 E HN 0.265 nan 8.360 nan 0.000 0.439 416 F N 2.492 122.487 119.950 0.074 0.000 2.410 416 F HA 0.429 4.956 4.527 -0.000 0.000 0.334 416 F C -0.682 175.204 175.800 0.144 0.000 1.134 416 F CA -0.250 57.873 58.000 0.204 0.000 1.227 416 F CB 0.962 40.039 39.000 0.128 0.000 1.194 416 F HN 0.137 nan 8.300 nan 0.000 0.571 417 V N 6.772 126.150 119.914 -0.893 0.000 2.577 417 V HA 0.272 4.392 4.120 -0.000 0.000 0.294 417 V C -1.197 174.317 176.094 -0.968 0.000 1.052 417 V CA -0.832 61.075 62.300 -0.655 0.000 0.891 417 V CB 1.218 32.919 31.823 -0.204 0.000 1.017 417 V HN 0.868 nan 8.190 nan 0.000 0.436 418 N N 4.710 122.924 118.700 -0.811 0.000 2.434 418 N HA 0.190 4.930 4.740 -0.000 0.000 0.273 418 N C -0.050 175.371 175.510 -0.148 0.000 1.210 418 N CA 0.640 53.460 53.050 -0.384 0.000 0.992 418 N CB 0.651 39.150 38.487 0.019 0.000 1.355 418 N HN 0.930 nan 8.380 nan 0.000 0.495 419 T N 0.937 115.422 114.554 -0.115 0.000 3.209 419 T HA 0.365 4.715 4.350 -0.000 0.000 0.366 419 T C -2.697 172.003 174.700 -0.000 0.000 1.293 419 T CA -1.729 60.346 62.100 -0.042 0.000 1.417 419 T CB 1.117 69.962 68.868 -0.040 0.000 1.013 419 T HN 0.111 nan 8.240 nan 0.000 0.572 420 P HA 0.145 nan 4.420 nan 0.000 0.266 420 P C -2.386 174.923 177.300 0.015 0.000 1.180 420 P CA -0.505 62.619 63.100 0.040 0.000 0.765 420 P CB -0.281 31.444 31.700 0.042 0.000 0.806 421 P HA 0.183 nan 4.420 nan 0.000 0.276 421 P C -0.702 176.651 177.300 0.088 0.000 1.230 421 P CA -0.194 62.936 63.100 0.050 0.000 0.776 421 P CB 0.366 32.080 31.700 0.022 0.000 0.888 422 L N 3.053 124.353 121.223 0.128 0.000 2.439 422 L HA 0.252 4.592 4.340 -0.000 0.000 0.261 422 L C 0.064 177.035 176.870 0.168 0.000 1.153 422 L CA -0.339 54.602 54.840 0.169 0.000 0.808 422 L CB 0.897 43.076 42.059 0.200 0.000 1.126 422 L HN 0.132 nan 8.230 nan 0.000 0.460 423 V N 3.209 123.232 119.914 0.182 0.000 2.439 423 V HA 0.562 4.682 4.120 -0.000 0.000 0.282 423 V C 0.008 176.131 176.094 0.048 0.000 1.039 423 V CA -0.656 61.741 62.300 0.163 0.000 0.913 423 V CB 1.107 33.048 31.823 0.196 0.000 0.983 423 V HN 0.835 nan 8.190 nan 0.000 0.460 424 K N 4.461 124.828 120.400 -0.054 0.000 2.555 424 K HA 0.593 4.913 4.320 -0.000 0.000 0.279 424 K C -1.698 174.659 176.600 -0.405 0.000 0.986 424 K CA -0.987 55.144 56.287 -0.260 0.000 0.880 424 K CB 2.094 34.342 32.500 -0.420 0.000 1.474 424 K HN 0.367 nan 8.250 nan 0.000 0.433 425 L N 1.228 122.227 121.223 -0.374 0.000 2.349 425 L HA 0.265 4.605 4.340 -0.000 0.000 0.275 425 L C 0.065 176.652 176.870 -0.471 0.000 1.115 425 L CA -0.571 54.074 54.840 -0.325 0.000 0.820 425 L CB 0.332 42.273 42.059 -0.197 0.000 1.135 425 L HN 0.650 nan 8.230 nan 0.000 0.445 426 W N 3.345 124.580 121.300 -0.109 0.000 3.353 426 W HA 0.156 4.816 4.660 -0.000 0.000 0.304 426 W C -0.392 176.235 176.519 0.179 0.000 1.273 426 W CA -0.255 57.111 57.345 0.036 0.000 1.773 426 W CB -0.123 29.398 29.460 0.102 0.000 1.095 426 W HN 0.461 nan 8.180 nan 0.000 0.676 427 Y N -2.460 117.912 120.300 0.120 0.000 2.786 427 Y HA 0.393 4.943 4.550 -0.000 0.000 0.365 427 Y C -1.370 174.573 175.900 0.073 0.000 1.171 427 Y CA -1.991 56.166 58.100 0.095 0.000 1.214 427 Y CB 0.238 38.767 38.460 0.116 0.000 1.411 427 Y HN -0.254 nan 8.280 nan 0.000 0.485 428 Q N 3.387 123.344 119.800 0.261 0.000 2.290 428 Q HA 0.476 4.816 4.340 -0.000 0.000 0.269 428 Q C -1.098 175.022 176.000 0.201 0.000 1.016 428 Q CA -0.722 55.176 55.803 0.159 0.000 0.754 428 Q CB 3.071 31.855 28.738 0.078 0.000 1.247 428 Q HN 0.851 nan 8.270 nan 0.000 0.451 429 L N 2.202 123.545 121.223 0.200 0.000 2.416 429 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 429 L C 0.946 177.899 176.870 0.138 0.000 1.161 429 L CA -0.276 54.659 54.840 0.159 0.000 0.845 429 L CB 0.268 42.401 42.059 0.123 0.000 1.119 429 L HN 0.326 nan 8.230 nan 0.000 0.464 430 E N 2.831 123.136 120.200 0.174 0.000 2.418 430 E HA 0.009 4.359 4.350 -0.000 0.000 0.261 430 E C 0.439 177.198 176.600 0.266 0.000 1.070 430 E CA 0.072 56.590 56.400 0.197 0.000 0.931 430 E CB 0.858 30.686 29.700 0.214 0.000 0.954 430 E HN 0.444 nan 8.360 nan 0.000 0.439 431 K N 0.781 121.282 120.400 0.168 0.000 2.211 431 K HA 0.014 4.334 4.320 -0.000 0.000 0.201 431 K C 0.292 176.992 176.600 0.166 0.000 1.052 431 K CA 0.569 56.953 56.287 0.162 0.000 0.973 431 K CB 0.341 32.879 32.500 0.064 0.000 0.766 431 K HN 0.279 nan 8.250 nan 0.000 0.466 432 E N -0.022 120.167 120.200 -0.018 0.000 2.312 432 E HA 0.289 4.639 4.350 -0.000 0.000 0.267 432 E C -2.796 173.399 176.600 -0.676 0.000 0.894 432 E CA -2.646 53.573 56.400 -0.302 0.000 0.773 432 E CB 1.669 31.271 29.700 -0.164 0.000 1.241 432 E HN -0.257 nan 8.360 nan 0.000 0.432 433 P HA 0.028 nan 4.420 nan 0.000 0.265 433 P C -0.611 176.494 177.300 -0.325 0.000 1.187 433 P CA 0.508 63.088 63.100 -0.866 0.000 0.766 433 P CB 0.283 31.656 31.700 -0.544 0.000 0.820 434 I N 2.428 122.907 120.570 -0.152 0.000 2.337 434 I HA 0.098 4.267 4.170 -0.000 0.000 0.291 434 I C 0.226 176.319 176.117 -0.039 0.000 1.046 434 I CA -0.732 60.535 61.300 -0.054 0.000 1.324 434 I CB 0.528 38.535 38.000 0.012 0.000 1.409 434 I HN 0.004 nan 8.210 nan 0.000 0.494 435 V N 5.813 125.703 119.914 -0.040 0.000 2.614 435 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 435 V C 1.227 177.318 176.094 -0.006 0.000 1.049 435 V CA 0.357 62.642 62.300 -0.025 0.000 1.038 435 V CB 0.750 32.556 31.823 -0.028 0.000 0.980 435 V HN 1.138 nan 8.190 nan 0.000 0.481 436 G N 3.360 112.160 108.800 0.001 0.000 2.198 436 G HA2 0.040 4.000 3.960 -0.000 0.000 0.257 436 G HA3 0.040 4.000 3.960 -0.000 0.000 0.257 436 G C 0.077 174.988 174.900 0.018 0.000 1.042 436 G CA 0.148 45.253 45.100 0.008 0.000 0.791 436 G HN 1.602 nan 8.290 nan 0.000 0.502 437 A N -0.445 122.391 122.820 0.026 0.000 2.356 437 A HA 0.774 5.094 4.320 -0.000 0.000 0.310 437 A C 0.104 177.727 177.584 0.064 0.000 1.075 437 A CA -0.103 51.961 52.037 0.046 0.000 0.746 437 A CB 1.105 20.133 19.000 0.048 0.000 1.221 437 A HN 0.558 nan 8.150 nan 0.000 0.443 438 E N 1.396 121.647 120.200 0.084 0.000 2.415 438 E HA 0.188 4.538 4.350 -0.000 0.000 0.263 438 E C -0.501 176.188 176.600 0.148 0.000 0.995 438 E CA 0.373 56.822 56.400 0.082 0.000 0.915 438 E CB 0.434 30.183 29.700 0.081 0.000 0.951 438 E HN 0.559 nan 8.360 nan 0.000 0.449 439 T N 4.972 119.580 114.554 0.089 0.000 2.767 439 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 439 T C -0.733 174.029 174.700 0.103 0.000 0.963 439 T CA -0.278 61.895 62.100 0.123 0.000 1.019 439 T CB 0.130 69.067 68.868 0.115 0.000 0.923 439 T HN 0.228 nan 8.240 nan 0.000 0.468 440 F N 2.824 122.743 119.950 -0.052 0.000 2.388 440 F HA 0.379 4.906 4.527 -0.000 0.000 0.358 440 F C -0.358 175.443 175.800 0.001 0.000 1.122 440 F CA -1.224 56.764 58.000 -0.020 0.000 1.056 440 F CB 0.796 39.700 39.000 -0.160 0.000 1.155 440 F HN 0.526 nan 8.300 nan 0.000 0.461 441 Y N 3.827 124.211 120.300 0.139 0.000 2.594 441 Y HA 0.417 4.967 4.550 -0.000 0.000 0.342 441 Y C 0.337 176.336 175.900 0.165 0.000 1.010 441 Y CA -1.088 57.078 58.100 0.109 0.000 1.270 441 Y CB 0.360 38.848 38.460 0.048 0.000 1.125 441 Y HN 0.371 nan 8.280 nan 0.000 0.513 442 V N -0.180 119.889 119.914 0.259 0.000 2.997 442 V HA 0.748 4.868 4.120 -0.000 0.000 0.311 442 V C -0.323 175.862 176.094 0.151 0.000 1.066 442 V CA -0.354 62.094 62.300 0.246 0.000 1.039 442 V CB 2.129 34.079 31.823 0.213 0.000 1.081 442 V HN 0.601 nan 8.190 nan 0.000 0.467 443 D N -0.476 120.002 120.400 0.130 0.000 2.809 443 D HA 0.644 5.284 4.640 -0.000 0.000 0.336 443 D C -0.823 175.524 176.300 0.080 0.000 1.367 443 D CA 0.465 54.513 54.000 0.080 0.000 0.815 443 D CB 1.801 42.634 40.800 0.055 0.000 1.381 443 D HN 1.323 nan 8.370 nan 0.000 0.471 444 G N -0.406 108.433 108.800 0.065 0.000 2.657 444 G HA2 0.687 4.647 3.960 -0.000 0.000 0.303 444 G HA3 0.687 4.647 3.960 -0.000 0.000 0.303 444 G C -1.515 173.426 174.900 0.068 0.000 1.457 444 G CA 0.251 45.392 45.100 0.068 0.000 0.982 444 G HN 0.499 nan 8.290 nan 0.000 0.583 445 A N 0.446 123.305 122.820 0.065 0.000 2.344 445 A HA 1.134 5.454 4.320 -0.000 0.000 0.307 445 A C 0.064 177.680 177.584 0.053 0.000 1.151 445 A CA -0.218 51.861 52.037 0.070 0.000 0.842 445 A CB 1.902 20.945 19.000 0.072 0.000 1.350 445 A HN 2.580 nan 8.150 nan 0.000 0.459 446 A N 0.663 123.511 122.820 0.047 0.000 2.565 446 A HA 0.565 4.885 4.320 -0.000 0.000 0.298 446 A C -1.264 176.336 177.584 0.028 0.000 1.062 446 A CA -0.621 51.437 52.037 0.035 0.000 0.723 446 A CB 0.901 19.922 19.000 0.035 0.000 1.282 446 A HN 0.804 nan 8.150 nan 0.000 0.400 447 N N 1.391 120.103 118.700 0.021 0.000 2.444 447 N HA 0.199 4.939 4.740 -0.000 0.000 0.271 447 N C 0.945 176.463 175.510 0.013 0.000 1.069 447 N CA -0.265 52.794 53.050 0.015 0.000 0.965 447 N CB 1.039 39.533 38.487 0.011 0.000 1.092 447 N HN 0.715 nan 8.380 nan 0.000 0.476 448 R N 1.944 122.450 120.500 0.011 0.000 2.092 448 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 448 R C 1.507 177.811 176.300 0.007 0.000 1.119 448 R CA 1.521 57.626 56.100 0.009 0.000 0.970 448 R CB 0.132 30.436 30.300 0.007 0.000 0.864 448 R HN 0.739 nan 8.270 nan 0.000 0.440 449 E N -0.595 119.608 120.200 0.006 0.000 2.230 449 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 449 E C 0.996 177.599 176.600 0.006 0.000 0.987 449 E CA 1.185 57.588 56.400 0.005 0.000 0.841 449 E CB 0.136 29.838 29.700 0.003 0.000 0.783 449 E HN 0.077 nan 8.360 nan 0.000 0.481 450 T N -0.313 114.245 114.554 0.007 0.000 3.004 450 T HA 0.104 4.454 4.350 -0.000 0.000 0.243 450 T C 0.499 175.204 174.700 0.009 0.000 1.020 450 T CA 0.640 62.744 62.100 0.007 0.000 1.145 450 T CB 0.167 69.039 68.868 0.007 0.000 0.876 450 T HN 0.026 nan 8.240 nan 0.000 0.449 451 K N -0.512 119.895 120.400 0.011 0.000 3.510 451 K HA -0.061 4.259 4.320 -0.000 0.000 0.280 451 K C -0.629 175.980 176.600 0.016 0.000 1.307 451 K CA 0.326 56.620 56.287 0.013 0.000 0.955 451 K CB -2.231 30.277 32.500 0.012 0.000 1.363 451 K HN 0.338 nan 8.250 nan 0.000 0.492 452 L N 1.006 122.238 121.223 0.015 0.000 2.283 452 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 452 L C 0.948 177.829 176.870 0.019 0.000 1.073 452 L CA -0.114 54.735 54.840 0.016 0.000 0.822 452 L CB 1.103 43.169 42.059 0.013 0.000 1.186 452 L HN 0.213 nan 8.230 nan 0.000 0.436 453 G N 2.979 111.794 108.800 0.024 0.000 2.481 453 G HA2 0.627 4.587 3.960 -0.000 0.000 0.315 453 G HA3 0.627 4.587 3.960 -0.000 0.000 0.315 453 G C -1.067 173.850 174.900 0.029 0.000 1.231 453 G CA -0.669 44.448 45.100 0.029 0.000 0.968 453 G HN 0.459 nan 8.290 nan 0.000 0.482 454 K N 0.240 120.657 120.400 0.028 0.000 2.244 454 K HA 0.652 4.972 4.320 -0.000 0.000 0.260 454 K C -0.424 176.195 176.600 0.031 0.000 0.951 454 K CA -0.482 55.818 56.287 0.022 0.000 0.826 454 K CB 2.368 34.875 32.500 0.011 0.000 1.108 454 K HN 0.560 nan 8.250 nan 0.000 0.433 455 A N 1.995 124.833 122.820 0.031 0.000 2.318 455 A HA 0.867 5.187 4.320 -0.000 0.000 0.324 455 A C -0.233 177.359 177.584 0.014 0.000 1.170 455 A CA -0.436 51.628 52.037 0.046 0.000 0.810 455 A CB 1.337 20.380 19.000 0.072 0.000 1.198 455 A HN 0.802 nan 8.150 nan 0.000 0.484 456 G N 0.040 108.853 108.800 0.022 0.000 2.550 456 G HA2 0.666 4.626 3.960 -0.000 0.000 0.293 456 G HA3 0.666 4.626 3.960 -0.000 0.000 0.293 456 G C -1.387 173.542 174.900 0.048 0.000 1.402 456 G CA -0.051 45.008 45.100 -0.067 0.000 0.784 456 G HN 1.662 nan 8.290 nan 0.000 0.482 457 Y N -2.622 117.743 120.300 0.109 0.000 2.689 457 Y HA 0.854 5.404 4.550 -0.000 0.000 0.333 457 Y C -1.133 174.808 175.900 0.068 0.000 1.190 457 Y CA -1.943 56.243 58.100 0.144 0.000 1.063 457 Y CB 1.441 40.080 38.460 0.298 0.000 1.294 457 Y HN 0.633 nan 8.280 nan 0.000 0.466 458 V N 1.493 121.648 119.914 0.402 0.000 2.777 458 V HA 0.638 4.758 4.120 -0.000 0.000 0.306 458 V C -0.424 175.726 176.094 0.092 0.000 1.112 458 V CA -0.129 62.282 62.300 0.184 0.000 0.917 458 V CB 1.868 33.717 31.823 0.044 0.000 1.018 458 V HN 1.173 nan 8.190 nan 0.000 0.426 459 T N 0.061 114.571 114.554 -0.072 0.000 2.950 459 T HA 0.328 4.678 4.350 -0.000 0.000 0.288 459 T C 0.967 175.609 174.700 -0.096 0.000 1.035 459 T CA -0.385 61.595 62.100 -0.199 0.000 1.028 459 T CB 1.561 70.095 68.868 -0.556 0.000 1.109 459 T HN 0.681 nan 8.240 nan 0.000 0.514 460 N N 0.695 119.372 118.700 -0.038 0.000 2.512 460 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 460 N C 0.912 176.395 175.510 -0.045 0.000 1.073 460 N CA 0.466 53.502 53.050 -0.024 0.000 0.911 460 N CB -0.187 38.328 38.487 0.045 0.000 0.964 460 N HN 0.652 nan 8.380 nan 0.000 0.447 461 K N -0.197 120.160 120.400 -0.071 0.000 2.437 461 K HA 0.147 4.467 4.320 -0.000 0.000 0.198 461 K C 0.642 177.209 176.600 -0.054 0.000 1.024 461 K CA 0.352 56.604 56.287 -0.058 0.000 1.148 461 K CB 0.120 32.582 32.500 -0.064 0.000 0.860 461 K HN 0.382 nan 8.250 nan 0.000 0.515 462 G N 1.775 110.540 108.800 -0.060 0.000 2.284 462 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.247 462 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.247 462 G C 0.114 174.994 174.900 -0.032 0.000 1.012 462 G CA -0.180 44.893 45.100 -0.045 0.000 0.618 462 G HN 0.302 nan 8.290 nan 0.000 0.521 463 R N 1.083 121.561 120.500 -0.036 0.000 2.679 463 R HA 0.410 4.750 4.340 -0.000 0.000 0.268 463 R C 0.425 176.771 176.300 0.077 0.000 1.044 463 R CA 1.095 57.208 56.100 0.021 0.000 1.105 463 R CB 0.143 30.459 30.300 0.026 0.000 0.989 463 R HN 0.730 nan 8.270 nan 0.000 0.447 464 Q N 1.124 120.970 119.800 0.077 0.000 2.536 464 Q HA 0.276 4.615 4.340 -0.000 0.000 0.231 464 Q C -1.603 174.287 176.000 -0.184 0.000 0.811 464 Q CA -0.754 55.034 55.803 -0.025 0.000 0.966 464 Q CB 1.502 30.221 28.738 -0.031 0.000 1.512 464 Q HN 0.452 nan 8.270 nan 0.000 0.456 465 K N 1.603 121.677 120.400 -0.542 0.000 2.238 465 K HA 0.787 5.107 4.320 -0.000 0.000 0.239 465 K C -1.337 175.012 176.600 -0.418 0.000 0.987 465 K CA -0.944 55.066 56.287 -0.461 0.000 0.857 465 K CB 2.119 34.314 32.500 -0.509 0.000 1.154 465 K HN 0.466 nan 8.250 nan 0.000 0.439 466 V N 3.417 123.195 119.914 -0.227 0.000 2.674 466 V HA 0.130 4.250 4.120 -0.000 0.000 0.279 466 V C -0.717 175.328 176.094 -0.081 0.000 1.051 466 V CA -0.995 61.221 62.300 -0.140 0.000 0.912 466 V CB 1.278 33.045 31.823 -0.092 0.000 1.044 466 V HN 0.633 nan 8.190 nan 0.000 0.464 467 V N 3.748 123.627 119.914 -0.059 0.000 2.716 467 V HA 0.837 4.957 4.120 -0.000 0.000 0.304 467 V C -2.287 173.805 176.094 -0.003 0.000 1.053 467 V CA -1.979 60.307 62.300 -0.023 0.000 0.984 467 V CB 1.858 33.677 31.823 -0.007 0.000 1.021 467 V HN 0.621 nan 8.190 nan 0.000 0.467 468 P HA 0.653 nan 4.420 nan 0.000 0.283 468 P C -1.457 175.856 177.300 0.022 0.000 1.271 468 P CA -0.628 62.479 63.100 0.012 0.000 0.841 468 P CB 2.155 33.859 31.700 0.008 0.000 1.122 469 L N 0.440 121.679 121.223 0.025 0.000 2.393 469 L HA 0.577 4.917 4.340 -0.000 0.000 0.260 469 L C 0.114 176.999 176.870 0.026 0.000 1.002 469 L CA -0.210 54.648 54.840 0.031 0.000 0.818 469 L CB 2.256 44.339 42.059 0.041 0.000 1.369 469 L HN 0.469 nan 8.230 nan 0.000 0.412 470 T N -1.549 113.020 114.554 0.025 0.000 2.824 470 T HA 0.518 4.868 4.350 -0.000 0.000 0.282 470 T C -0.449 174.264 174.700 0.022 0.000 0.993 470 T CA -0.779 61.333 62.100 0.021 0.000 0.967 470 T CB 1.283 70.162 68.868 0.018 0.000 0.960 470 T HN 0.534 nan 8.240 nan 0.000 0.441 471 N N 1.311 120.022 118.700 0.019 0.000 2.610 471 N HA -0.139 4.601 4.740 -0.000 0.000 0.271 471 N C -0.374 175.150 175.510 0.022 0.000 1.146 471 N CA 1.421 54.482 53.050 0.018 0.000 0.711 471 N CB -1.303 37.194 38.487 0.016 0.000 0.883 471 N HN 1.168 nan 8.380 nan 0.000 0.548 472 T N -3.180 111.388 114.554 0.024 0.000 2.916 472 T HA 0.643 4.993 4.350 -0.000 0.000 0.305 472 T C 0.396 175.111 174.700 0.025 0.000 1.119 472 T CA -0.690 61.428 62.100 0.029 0.000 1.008 472 T CB 2.417 71.308 68.868 0.039 0.000 1.129 472 T HN 0.233 nan 8.240 nan 0.000 0.480 473 T N 0.031 114.599 114.554 0.024 0.000 2.899 473 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 473 T C 1.239 175.951 174.700 0.021 0.000 1.004 473 T CA -0.770 61.337 62.100 0.012 0.000 1.043 473 T CB 0.989 69.853 68.868 -0.008 0.000 1.013 473 T HN 0.623 nan 8.240 nan 0.000 0.518 474 N N 0.767 119.476 118.700 0.015 0.000 2.192 474 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 474 N C 1.772 177.306 175.510 0.040 0.000 1.013 474 N CA 1.602 54.670 53.050 0.031 0.000 0.863 474 N CB -0.102 38.403 38.487 0.029 0.000 0.990 474 N HN 0.700 nan 8.380 nan 0.000 0.430 475 Q N 0.298 120.098 119.800 -0.000 0.000 2.079 475 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 475 Q C 1.925 178.007 176.000 0.136 0.000 0.974 475 Q CA 1.015 56.827 55.803 0.015 0.000 0.840 475 Q CB -0.050 28.524 28.738 -0.273 0.000 0.898 475 Q HN 0.373 nan 8.270 nan 0.000 0.430 476 K N 0.398 120.856 120.400 0.097 0.000 2.057 476 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 476 K C 2.369 179.036 176.600 0.112 0.000 1.049 476 K CA 1.777 58.135 56.287 0.117 0.000 0.931 476 K CB -0.312 32.236 32.500 0.080 0.000 0.714 476 K HN 0.347 nan 8.250 nan 0.000 0.440 477 T N -0.147 114.463 114.554 0.093 0.000 2.803 477 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 477 T C 1.880 176.645 174.700 0.109 0.000 1.052 477 T CA 0.941 63.096 62.100 0.091 0.000 1.136 477 T CB -0.116 68.796 68.868 0.073 0.000 0.864 477 T HN 0.072 nan 8.240 nan 0.000 0.467 478 Q N 0.192 120.067 119.800 0.124 0.000 2.172 478 Q HA 0.179 4.519 4.340 -0.000 0.000 0.200 478 Q C 2.202 178.283 176.000 0.135 0.000 0.964 478 Q CA 0.713 56.597 55.803 0.135 0.000 0.855 478 Q CB -0.335 28.502 28.738 0.164 0.000 0.918 478 Q HN 0.436 nan 8.270 nan 0.000 0.444 479 L N 0.281 121.591 121.223 0.146 0.000 2.270 479 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 479 L C 2.207 179.151 176.870 0.124 0.000 1.104 479 L CA 1.159 56.066 54.840 0.111 0.000 0.804 479 L CB -0.148 41.980 42.059 0.116 0.000 0.937 479 L HN 0.089 nan 8.230 nan 0.000 0.450 480 Q N -0.829 119.055 119.800 0.140 0.000 2.187 480 Q HA 0.014 4.354 4.340 -0.000 0.000 0.199 480 Q C 2.191 178.306 176.000 0.191 0.000 0.957 480 Q CA 1.443 57.355 55.803 0.180 0.000 0.857 480 Q CB -0.077 28.746 28.738 0.142 0.000 0.929 480 Q HN 0.442 nan 8.270 nan 0.000 0.453 481 A N -0.110 122.802 122.820 0.152 0.000 1.968 481 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 481 A C 1.973 179.651 177.584 0.157 0.000 1.169 481 A CA 1.026 53.159 52.037 0.160 0.000 0.638 481 A CB -0.495 18.591 19.000 0.144 0.000 0.812 481 A HN 0.444 nan 8.150 nan 0.000 0.446 482 I N -1.932 118.712 120.570 0.123 0.000 2.500 482 I HA -0.168 4.002 4.170 -0.000 0.000 0.252 482 I C 2.394 178.559 176.117 0.080 0.000 1.142 482 I CA 0.995 62.336 61.300 0.067 0.000 1.451 482 I CB -0.294 37.730 38.000 0.040 0.000 1.093 482 I HN 0.492 nan 8.210 nan 0.000 0.430 483 Y N 1.931 122.224 120.300 -0.011 0.000 2.181 483 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 483 Y C 2.210 178.099 175.900 -0.018 0.000 1.146 483 Y CA 1.433 59.518 58.100 -0.024 0.000 1.164 483 Y CB -0.527 37.933 38.460 0.001 0.000 0.982 483 Y HN 0.026 nan 8.280 nan 0.000 0.515 484 L N -0.367 120.818 121.223 -0.063 0.000 1.976 484 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 484 L C 2.794 179.596 176.870 -0.113 0.000 1.071 484 L CA 1.447 56.249 54.840 -0.063 0.000 0.746 484 L CB -1.182 41.004 42.059 0.211 0.000 0.890 484 L HN 0.261 nan 8.230 nan 0.000 0.432 485 A N -0.182 122.547 122.820 -0.152 0.000 1.986 485 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 485 A C 2.227 179.289 177.584 -0.869 0.000 1.171 485 A CA 1.711 53.288 52.037 -0.766 0.000 0.640 485 A CB -0.727 17.952 19.000 -0.534 0.000 0.811 485 A HN 0.423 nan 8.150 nan 0.000 0.451 486 L N -1.258 119.700 121.223 -0.440 0.000 2.179 486 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 486 L C 2.866 179.563 176.870 -0.289 0.000 1.096 486 L CA 0.864 55.505 54.840 -0.331 0.000 0.779 486 L CB -0.421 41.542 42.059 -0.160 0.000 0.922 486 L HN 0.492 nan 8.230 nan 0.000 0.443 487 Q N 0.160 119.773 119.800 -0.312 0.000 1.941 487 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 487 Q C 0.344 176.247 176.000 -0.161 0.000 0.982 487 Q CA 1.092 56.745 55.803 -0.249 0.000 0.839 487 Q CB -0.156 28.381 28.738 -0.336 0.000 0.904 487 Q HN 0.440 nan 8.270 nan 0.000 0.427 488 D N 1.042 121.367 120.400 -0.124 0.000 2.977 488 D HA 0.108 4.748 4.640 -0.000 0.000 0.241 488 D C -0.444 175.833 176.300 -0.038 0.000 1.206 488 D CA 0.271 54.268 54.000 -0.006 0.000 0.902 488 D CB 0.100 41.001 40.800 0.168 0.000 1.131 488 D HN -0.076 nan 8.370 nan 0.000 0.447 489 S N -0.881 114.732 115.700 -0.143 0.000 2.569 489 S HA 0.669 5.139 4.470 -0.000 0.000 0.280 489 S C 0.262 174.825 174.600 -0.063 0.000 1.111 489 S CA -0.738 57.370 58.200 -0.153 0.000 0.887 489 S CB 1.735 64.657 63.200 -0.462 0.000 1.095 489 S HN 0.226 nan 8.310 nan 0.000 0.476 490 G N 1.474 110.270 108.800 -0.007 0.000 2.588 490 G HA2 0.394 4.354 3.960 -0.000 0.000 0.281 490 G HA3 0.394 4.354 3.960 -0.000 0.000 0.281 490 G C 0.980 175.870 174.900 -0.017 0.000 1.236 490 G CA -0.686 44.414 45.100 0.001 0.000 0.969 490 G HN 0.772 nan 8.290 nan 0.000 0.504 491 L N -0.750 120.470 121.223 -0.004 0.000 2.129 491 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 491 L C 1.005 177.874 176.870 -0.002 0.000 1.087 491 L CA 1.344 56.182 54.840 -0.004 0.000 0.757 491 L CB -0.410 41.653 42.059 0.008 0.000 0.896 491 L HN 0.497 nan 8.230 nan 0.000 0.434 492 E N -0.253 119.951 120.200 0.008 0.000 2.183 492 E HA 0.546 4.896 4.350 -0.000 0.000 0.271 492 E C -1.049 175.565 176.600 0.023 0.000 0.919 492 E CA -0.334 56.076 56.400 0.018 0.000 0.781 492 E CB 3.133 32.849 29.700 0.026 0.000 1.140 492 E HN -0.131 nan 8.360 nan 0.000 0.402 493 V N 2.752 122.680 119.914 0.024 0.000 3.000 493 V HA 0.296 4.416 4.120 -0.000 0.000 0.300 493 V C -1.854 174.282 176.094 0.070 0.000 1.251 493 V CA -0.785 61.537 62.300 0.036 0.000 0.972 493 V CB 2.309 34.084 31.823 -0.079 0.000 1.065 493 V HN 0.661 nan 8.190 nan 0.000 0.431 494 N N 6.132 124.904 118.700 0.120 0.000 2.408 494 N HA 0.602 5.342 4.740 -0.000 0.000 0.280 494 N C -1.023 174.541 175.510 0.090 0.000 1.002 494 N CA -0.187 52.957 53.050 0.156 0.000 0.907 494 N CB 2.158 40.747 38.487 0.169 0.000 1.161 494 N HN 0.627 nan 8.380 nan 0.000 0.488 495 I N 1.785 122.362 120.570 0.012 0.000 2.406 495 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 495 I C -0.385 175.669 176.117 -0.105 0.000 0.999 495 I CA -0.986 60.290 61.300 -0.040 0.000 1.124 495 I CB 2.097 40.051 38.000 -0.076 0.000 1.289 495 I HN -0.021 nan 8.210 nan 0.000 0.441 496 V N 4.992 124.807 119.914 -0.165 0.000 2.357 496 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 496 V C 0.101 176.127 176.094 -0.113 0.000 1.018 496 V CA -0.283 61.887 62.300 -0.215 0.000 0.841 496 V CB 1.676 33.203 31.823 -0.493 0.000 0.991 496 V HN 0.801 nan 8.190 nan 0.000 0.437 497 T N 1.978 116.493 114.554 -0.065 0.000 2.942 497 T HA 0.419 4.769 4.350 -0.000 0.000 0.289 497 T C 0.133 174.764 174.700 -0.116 0.000 1.044 497 T CA -0.468 61.620 62.100 -0.021 0.000 1.023 497 T CB 1.656 70.556 68.868 0.054 0.000 1.123 497 T HN 0.838 nan 8.240 nan 0.000 0.512 498 D N 0.763 121.084 120.400 -0.132 0.000 2.479 498 D HA 0.131 4.771 4.640 -0.000 0.000 0.218 498 D C 0.162 176.489 176.300 0.046 0.000 1.177 498 D CA -0.238 53.535 54.000 -0.380 0.000 0.830 498 D CB 0.237 40.835 40.800 -0.337 0.000 1.014 498 D HN 0.255 nan 8.370 nan 0.000 0.503 499 S N 1.101 116.952 115.700 0.251 0.000 2.434 499 S HA 0.086 4.556 4.470 -0.000 0.000 0.318 499 S C 1.073 175.905 174.600 0.387 0.000 1.062 499 S CA -0.509 57.890 58.200 0.331 0.000 1.116 499 S CB 1.394 64.729 63.200 0.225 0.000 0.977 499 S HN 0.219 nan 8.310 nan 0.000 0.480 500 Q N 4.576 124.599 119.800 0.372 0.000 2.135 500 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 500 Q C 1.405 177.449 176.000 0.074 0.000 0.981 500 Q CA 1.861 57.678 55.803 0.023 0.000 0.856 500 Q CB -0.351 28.309 28.738 -0.129 0.000 0.902 500 Q HN 0.945 nan 8.270 nan 0.000 0.425 501 Y N 0.551 120.876 120.300 0.042 0.000 2.081 501 Y HA -0.268 4.282 4.550 -0.000 0.000 0.280 501 Y C 2.114 178.034 175.900 0.034 0.000 1.163 501 Y CA 1.978 60.099 58.100 0.035 0.000 1.135 501 Y CB -0.821 37.671 38.460 0.054 0.000 0.970 501 Y HN 0.235 nan 8.280 nan 0.000 0.498 502 A N 0.034 122.797 122.820 -0.096 0.000 1.898 502 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 502 A C 2.251 179.753 177.584 -0.138 0.000 1.181 502 A CA 1.612 53.529 52.037 -0.199 0.000 0.620 502 A CB -1.278 17.713 19.000 -0.015 0.000 0.819 502 A HN 0.558 nan 8.150 nan 0.000 0.442 503 L N 0.085 121.284 121.223 -0.040 0.000 2.042 503 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 503 L C 2.432 179.268 176.870 -0.057 0.000 1.076 503 L CA 2.252 57.072 54.840 -0.033 0.000 0.749 503 L CB -0.824 41.222 42.059 -0.021 0.000 0.893 503 L HN 0.332 nan 8.230 nan 0.000 0.432 504 G N -0.522 108.229 108.800 -0.082 0.000 2.404 504 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 504 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 504 G C 1.596 176.485 174.900 -0.018 0.000 1.174 504 G CA 1.092 46.165 45.100 -0.045 0.000 0.780 504 G HN 0.450 nan 8.290 nan 0.000 0.537 505 I N 0.592 121.073 120.570 -0.148 0.000 2.113 505 I HA -0.159 4.011 4.170 -0.000 0.000 0.238 505 I C 2.712 178.783 176.117 -0.076 0.000 1.070 505 I CA 1.053 62.235 61.300 -0.198 0.000 1.332 505 I CB -0.292 37.402 38.000 -0.509 0.000 1.044 505 I HN 0.137 nan 8.210 nan 0.000 0.402 506 I N 0.166 120.693 120.570 -0.071 0.000 2.226 506 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 506 I C 2.581 178.778 176.117 0.133 0.000 1.100 506 I CA 1.390 62.709 61.300 0.032 0.000 1.374 506 I CB -0.466 37.526 38.000 -0.014 0.000 1.057 506 I HN 0.308 nan 8.210 nan 0.000 0.413 507 Q N 0.570 120.426 119.800 0.092 0.000 2.368 507 Q HA -0.140 4.200 4.340 -0.000 0.000 0.210 507 Q C 1.846 177.962 176.000 0.193 0.000 0.982 507 Q CA 1.240 57.116 55.803 0.123 0.000 0.884 507 Q CB -0.028 28.757 28.738 0.079 0.000 0.933 507 Q HN 0.591 nan 8.270 nan 0.000 0.460 508 A N -0.222 122.743 122.820 0.242 0.000 2.337 508 A HA 0.027 4.347 4.320 -0.000 0.000 0.227 508 A C 0.072 177.848 177.584 0.320 0.000 1.259 508 A CA -0.091 52.158 52.037 0.354 0.000 0.870 508 A CB 0.075 19.326 19.000 0.417 0.000 0.927 508 A HN 0.445 nan 8.150 nan 0.000 0.497 509 Q N -0.771 119.156 119.800 0.212 0.000 2.435 509 Q HA -0.134 4.206 4.340 -0.000 0.000 0.312 509 Q C -2.244 173.752 176.000 -0.007 0.000 1.333 509 Q CA 0.491 56.276 55.803 -0.030 0.000 0.883 509 Q CB -1.603 27.045 28.738 -0.148 0.000 1.170 509 Q HN 0.614 nan 8.270 nan 0.000 0.443 510 P HA -0.025 nan 4.420 nan 0.000 0.271 510 P C -0.274 177.132 177.300 0.177 0.000 1.220 510 P CA 0.431 63.613 63.100 0.136 0.000 0.768 510 P CB 0.816 32.607 31.700 0.151 0.000 0.848 511 D N 2.138 122.607 120.400 0.116 0.000 2.424 511 D HA 0.130 4.770 4.640 -0.000 0.000 0.220 511 D C 0.072 176.400 176.300 0.047 0.000 1.150 511 D CA -0.228 53.841 54.000 0.116 0.000 0.831 511 D CB -0.021 40.847 40.800 0.112 0.000 0.981 511 D HN 0.451 nan 8.370 nan 0.000 0.500 512 K N -2.225 118.218 120.400 0.071 0.000 2.600 512 K HA 0.555 4.875 4.320 -0.000 0.000 0.262 512 K C -1.529 175.133 176.600 0.103 0.000 0.935 512 K CA -0.806 55.512 56.287 0.052 0.000 0.866 512 K CB 1.559 34.074 32.500 0.026 0.000 1.354 512 K HN -0.074 nan 8.250 nan 0.000 0.419 513 S N 0.642 116.402 115.700 0.099 0.000 2.671 513 S HA 0.328 4.798 4.470 -0.000 0.000 0.277 513 S C -0.453 174.190 174.600 0.073 0.000 1.165 513 S CA -0.615 57.681 58.200 0.160 0.000 0.822 513 S CB 1.878 65.285 63.200 0.345 0.000 1.150 513 S HN 0.756 nan 8.310 nan 0.000 0.479 514 E N 0.493 120.721 120.200 0.047 0.000 2.364 514 E HA 0.151 4.501 4.350 -0.000 0.000 0.196 514 E C 0.087 176.711 176.600 0.040 0.000 0.990 514 E CA -0.008 56.401 56.400 0.015 0.000 0.886 514 E CB 0.485 30.170 29.700 -0.025 0.000 0.866 514 E HN 0.388 nan 8.360 nan 0.000 0.493 515 S N 1.165 116.922 115.700 0.095 0.000 2.528 515 S HA -0.010 4.460 4.470 -0.000 0.000 0.277 515 S C 0.968 175.592 174.600 0.040 0.000 1.297 515 S CA -0.296 57.960 58.200 0.094 0.000 1.052 515 S CB 1.217 64.519 63.200 0.171 0.000 0.917 515 S HN 0.091 nan 8.310 nan 0.000 0.492 516 E N 4.331 124.536 120.200 0.010 0.000 2.110 516 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 516 E C 1.659 178.214 176.600 -0.077 0.000 0.988 516 E CA 1.394 57.778 56.400 -0.027 0.000 0.804 516 E CB -0.290 29.394 29.700 -0.025 0.000 0.745 516 E HN 0.785 nan 8.360 nan 0.000 0.458 517 L N -0.410 120.766 121.223 -0.078 0.000 1.976 517 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 517 L C 2.259 179.023 176.870 -0.177 0.000 1.071 517 L CA 1.360 56.100 54.840 -0.168 0.000 0.746 517 L CB -0.387 41.616 42.059 -0.093 0.000 0.890 517 L HN 0.110 nan 8.230 nan 0.000 0.432 518 V N 0.560 120.427 119.914 -0.077 0.000 2.439 518 V HA -0.360 3.760 4.120 -0.000 0.000 0.253 518 V C 2.191 178.243 176.094 -0.070 0.000 1.074 518 V CA 2.045 64.302 62.300 -0.072 0.000 1.076 518 V CB -0.924 30.889 31.823 -0.018 0.000 0.664 518 V HN 0.548 nan 8.190 nan 0.000 0.461 519 N N -0.193 118.471 118.700 -0.061 0.000 2.244 519 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 519 N C 1.929 177.380 175.510 -0.098 0.000 1.016 519 N CA 1.272 54.287 53.050 -0.058 0.000 0.866 519 N CB -0.129 38.330 38.487 -0.047 0.000 0.980 519 N HN 0.651 nan 8.380 nan 0.000 0.430 520 Q N 0.637 120.329 119.800 -0.180 0.000 2.083 520 Q HA 0.082 4.422 4.340 -0.000 0.000 0.198 520 Q C 2.148 178.057 176.000 -0.153 0.000 0.969 520 Q CA 0.655 56.323 55.803 -0.225 0.000 0.838 520 Q CB 0.023 28.445 28.738 -0.527 0.000 0.900 520 Q HN 0.347 nan 8.270 nan 0.000 0.436 521 I N 0.787 121.243 120.570 -0.189 0.000 2.423 521 I HA -0.281 3.889 4.170 -0.000 0.000 0.254 521 I C 2.058 178.118 176.117 -0.095 0.000 1.151 521 I CA 1.112 62.371 61.300 -0.068 0.000 1.421 521 I CB -0.190 37.762 38.000 -0.081 0.000 1.079 521 I HN 0.238 nan 8.210 nan 0.000 0.431 522 I N 0.412 120.928 120.570 -0.090 0.000 2.286 522 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 522 I C 2.386 178.458 176.117 -0.074 0.000 1.104 522 I CA 1.149 62.400 61.300 -0.081 0.000 1.397 522 I CB -0.290 37.715 38.000 0.009 0.000 1.072 522 I HN 0.224 nan 8.210 nan 0.000 0.417 523 E N 0.559 120.730 120.200 -0.047 0.000 2.058 523 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 523 E C 2.190 178.777 176.600 -0.022 0.000 0.997 523 E CA 1.047 57.431 56.400 -0.026 0.000 0.801 523 E CB -0.164 29.530 29.700 -0.011 0.000 0.746 523 E HN 0.467 nan 8.360 nan 0.000 0.450 524 Q N 0.824 120.616 119.800 -0.013 0.000 2.002 524 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 524 Q C 2.552 178.500 176.000 -0.087 0.000 0.988 524 Q CA 1.221 57.010 55.803 -0.025 0.000 0.843 524 Q CB -0.672 28.069 28.738 0.006 0.000 0.908 524 Q HN 0.368 nan 8.270 nan 0.000 0.420 525 L N 0.296 121.410 121.223 -0.181 0.000 2.137 525 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 525 L C 2.435 179.191 176.870 -0.191 0.000 1.085 525 L CA 0.998 55.645 54.840 -0.322 0.000 0.760 525 L CB -0.551 41.040 42.059 -0.781 0.000 0.893 525 L HN 0.202 nan 8.230 nan 0.000 0.434 526 I N -0.435 120.089 120.570 -0.076 0.000 2.353 526 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 526 I C 2.308 178.472 176.117 0.078 0.000 1.119 526 I CA 1.231 62.587 61.300 0.093 0.000 1.417 526 I CB -0.217 37.867 38.000 0.141 0.000 1.078 526 I HN 0.213 nan 8.210 nan 0.000 0.421 527 K N 0.539 120.956 120.400 0.028 0.000 2.365 527 K HA -0.027 4.293 4.320 -0.000 0.000 0.199 527 K C 0.810 177.421 176.600 0.018 0.000 1.045 527 K CA 0.454 56.757 56.287 0.027 0.000 0.962 527 K CB 0.118 32.624 32.500 0.010 0.000 0.759 527 K HN 0.131 nan 8.250 nan 0.000 0.469 528 K N 0.901 121.301 120.400 0.001 0.000 2.233 528 K HA 0.040 4.360 4.320 -0.000 0.000 0.239 528 K C 0.851 177.468 176.600 0.027 0.000 1.064 528 K CA 0.489 56.774 56.287 -0.002 0.000 0.884 528 K CB 0.425 32.907 32.500 -0.030 0.000 1.166 528 K HN 0.058 nan 8.250 nan 0.000 0.512 529 E N 0.065 120.281 120.200 0.027 0.000 2.467 529 E HA 0.109 4.459 4.350 -0.000 0.000 0.213 529 E C -0.491 176.136 176.600 0.045 0.000 0.823 529 E CA 0.172 56.596 56.400 0.039 0.000 1.233 529 E CB 1.047 30.765 29.700 0.030 0.000 1.233 529 E HN 0.281 nan 8.360 nan 0.000 0.585 530 K N 1.281 121.705 120.400 0.040 0.000 2.588 530 K HA 0.426 4.746 4.320 -0.000 0.000 0.250 530 K C -1.521 175.110 176.600 0.052 0.000 0.972 530 K CA -0.341 55.978 56.287 0.053 0.000 0.821 530 K CB 3.102 35.630 32.500 0.047 0.000 1.249 530 K HN -0.192 nan 8.250 nan 0.000 0.442 531 V N 2.972 122.929 119.914 0.072 0.000 2.686 531 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 531 V C -1.478 174.690 176.094 0.122 0.000 1.065 531 V CA -0.962 61.371 62.300 0.056 0.000 0.894 531 V CB 1.629 33.449 31.823 -0.005 0.000 1.004 531 V HN 0.719 nan 8.190 nan 0.000 0.424 532 Y N 5.151 125.448 120.300 -0.004 0.000 2.331 532 Y HA 0.737 5.287 4.550 -0.000 0.000 0.334 532 Y C -1.103 174.795 175.900 -0.003 0.000 0.960 532 Y CA -0.874 57.229 58.100 0.004 0.000 1.130 532 Y CB 1.573 40.034 38.460 0.002 0.000 1.164 532 Y HN 0.616 nan 8.280 nan 0.000 0.458 533 L N 6.002 126.794 121.223 -0.718 0.000 2.322 533 L HA 0.926 5.266 4.340 -0.000 0.000 0.281 533 L C -0.930 175.514 176.870 -0.710 0.000 1.014 533 L CA -0.718 53.810 54.840 -0.519 0.000 0.815 533 L CB 1.408 43.323 42.059 -0.239 0.000 1.247 533 L HN 0.873 nan 8.230 nan 0.000 0.421 534 A N 3.611 126.197 122.820 -0.391 0.000 2.515 534 A HA 0.622 4.942 4.320 -0.000 0.000 0.296 534 A C -2.190 175.417 177.584 0.038 0.000 1.094 534 A CA -0.485 51.450 52.037 -0.170 0.000 0.718 534 A CB 1.527 20.504 19.000 -0.038 0.000 1.307 534 A HN 0.782 nan 8.150 nan 0.000 0.408 535 W N 1.222 122.474 121.300 -0.081 0.000 2.706 535 W HA 0.660 5.320 4.660 -0.000 0.000 0.346 535 W C -0.995 175.514 176.519 -0.017 0.000 1.071 535 W CA -0.322 56.995 57.345 -0.048 0.000 1.206 535 W CB 1.971 31.406 29.460 -0.041 0.000 1.413 535 W HN 1.085 nan 8.180 nan 0.000 0.542 536 V N 1.915 121.255 119.914 -0.956 0.000 3.120 536 V HA 0.648 4.768 4.120 -0.000 0.000 0.303 536 V C -2.920 172.178 176.094 -1.660 0.000 1.238 536 V CA -2.908 58.798 62.300 -0.990 0.000 1.008 536 V CB 1.515 33.092 31.823 -0.409 0.000 1.064 536 V HN 0.487 nan 8.190 nan 0.000 0.434 537 P HA 0.386 nan 4.420 nan 0.000 0.267 537 P C -0.165 176.881 177.300 -0.424 0.000 1.205 537 P CA 0.540 63.228 63.100 -0.687 0.000 0.765 537 P CB 0.655 32.212 31.700 -0.237 0.000 0.828 538 A N 3.762 126.389 122.820 -0.323 0.000 2.388 538 A HA 0.275 4.595 4.320 -0.000 0.000 0.257 538 A C 0.175 177.580 177.584 -0.298 0.000 1.095 538 A CA -0.090 51.710 52.037 -0.395 0.000 0.791 538 A CB -0.588 18.137 19.000 -0.458 0.000 1.029 538 A HN 0.784 nan 8.150 nan 0.000 0.489 539 H N 0.241 119.287 119.070 -0.040 0.000 2.819 539 H HA -0.099 4.457 4.556 -0.000 0.000 0.315 539 H C -0.292 175.023 175.328 -0.022 0.000 1.242 539 H CA 1.245 57.280 56.048 -0.022 0.000 1.157 539 H CB -1.355 28.403 29.762 -0.006 0.000 1.451 539 H HN 0.690 nan 8.280 nan 0.000 0.430 540 K N -0.273 120.147 120.400 0.033 0.000 2.536 540 K HA 0.349 4.669 4.320 -0.000 0.000 0.203 540 K C 1.284 177.888 176.600 0.007 0.000 1.063 540 K CA 0.541 56.838 56.287 0.017 0.000 1.063 540 K CB 0.768 33.260 32.500 -0.013 0.000 0.843 540 K HN 0.512 nan 8.250 nan 0.000 0.521 541 G N 1.507 110.315 108.800 0.013 0.000 2.283 541 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 541 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 541 G C 0.133 175.027 174.900 -0.011 0.000 1.029 541 G CA 0.065 45.167 45.100 0.003 0.000 0.840 541 G HN 0.178 nan 8.290 nan 0.000 0.505 542 I N 0.753 121.311 120.570 -0.020 0.000 2.754 542 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 542 I C 1.672 177.783 176.117 -0.009 0.000 1.166 542 I CA 0.062 61.354 61.300 -0.014 0.000 1.417 542 I CB -0.020 37.962 38.000 -0.029 0.000 1.382 542 I HN 0.223 nan 8.210 nan 0.000 0.588 543 G N 3.798 112.599 108.800 0.001 0.000 2.298 543 G HA2 0.323 4.283 3.960 -0.000 0.000 0.284 543 G HA3 0.323 4.283 3.960 -0.000 0.000 0.284 543 G C 0.974 175.794 174.900 -0.133 0.000 1.013 543 G CA 0.465 45.540 45.100 -0.043 0.000 1.365 543 G HN 1.244 nan 8.290 nan 0.000 0.415 544 G N 2.463 111.103 108.800 -0.267 0.000 2.376 544 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.208 544 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.208 544 G C 1.401 176.191 174.900 -0.185 0.000 1.032 544 G CA 0.652 45.385 45.100 -0.612 0.000 0.641 544 G HN 0.732 nan 8.290 nan 0.000 0.503 545 N N 1.218 119.937 118.700 0.030 0.000 2.084 545 N HA -0.106 4.634 4.740 -0.000 0.000 0.190 545 N C 1.904 177.415 175.510 0.001 0.000 1.030 545 N CA 1.867 54.950 53.050 0.055 0.000 0.849 545 N CB -0.161 38.327 38.487 0.001 0.000 1.012 545 N HN 0.653 nan 8.380 nan 0.000 0.423 546 E N 0.180 120.370 120.200 -0.017 0.000 2.110 546 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 546 E C 2.053 178.646 176.600 -0.012 0.000 0.988 546 E CA 0.725 57.124 56.400 -0.001 0.000 0.804 546 E CB 0.009 29.708 29.700 -0.002 0.000 0.745 546 E HN 0.326 nan 8.360 nan 0.000 0.458 547 Q N 0.418 120.189 119.800 -0.048 0.000 2.077 547 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 547 Q C 2.216 178.200 176.000 -0.027 0.000 0.989 547 Q CA 1.852 57.620 55.803 -0.058 0.000 0.853 547 Q CB -0.124 28.542 28.738 -0.119 0.000 0.907 547 Q HN 0.299 nan 8.270 nan 0.000 0.418 548 V N 0.665 120.576 119.914 -0.006 0.000 2.488 548 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 548 V C 2.114 178.226 176.094 0.030 0.000 1.046 548 V CA 1.623 63.939 62.300 0.027 0.000 1.053 548 V CB -0.677 31.195 31.823 0.082 0.000 0.679 548 V HN 0.270 nan 8.190 nan 0.000 0.458 549 D N 0.609 121.028 120.400 0.033 0.000 2.182 549 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 549 D C 2.032 178.364 176.300 0.054 0.000 0.986 549 D CA 1.390 55.424 54.000 0.056 0.000 0.847 549 D CB 0.034 40.883 40.800 0.080 0.000 0.942 549 D HN 0.265 nan 8.370 nan 0.000 0.467 550 K N -0.017 120.401 120.400 0.030 0.000 1.973 550 K HA -0.036 4.284 4.320 -0.000 0.000 0.210 550 K C 1.658 178.263 176.600 0.009 0.000 1.045 550 K CA 1.210 57.508 56.287 0.017 0.000 0.937 550 K CB -0.703 31.799 32.500 0.002 0.000 0.721 550 K HN 0.258 nan 8.250 nan 0.000 0.438 551 L N -0.521 120.702 121.223 -0.001 0.000 2.762 551 L HA 0.149 4.489 4.340 -0.000 0.000 0.250 551 L C 0.782 177.649 176.870 -0.006 0.000 1.160 551 L CA 0.530 55.364 54.840 -0.009 0.000 0.951 551 L CB -0.313 41.732 42.059 -0.023 0.000 1.148 551 L HN -0.084 nan 8.230 nan 0.000 0.424 552 V N -1.476 118.444 119.914 0.011 0.000 3.350 552 V HA 0.032 4.152 4.120 -0.000 0.000 0.246 552 V C 2.182 178.293 176.094 0.028 0.000 1.363 552 V CA 1.144 63.455 62.300 0.019 0.000 1.162 552 V CB 0.764 32.608 31.823 0.034 0.000 0.947 552 V HN 0.629 nan 8.190 nan 0.000 0.454 553 S N 1.353 117.074 115.700 0.035 0.000 2.439 553 S HA 0.224 4.694 4.470 -0.000 0.000 0.224 553 S C 1.352 175.962 174.600 0.017 0.000 1.029 553 S CA 0.579 58.800 58.200 0.035 0.000 0.946 553 S CB -0.272 62.955 63.200 0.046 0.000 0.797 553 S HN 0.568 nan 8.310 nan 0.000 0.504 554 A N 1.543 124.369 122.820 0.010 0.000 2.540 554 A HA 0.461 4.781 4.320 -0.000 0.000 0.264 554 A C 1.157 178.742 177.584 0.002 0.000 1.080 554 A CA 0.386 52.425 52.037 0.003 0.000 0.776 554 A CB -1.482 17.517 19.000 -0.001 0.000 1.011 554 A HN 1.807 nan 8.150 nan 0.000 0.514 555 G N 0.527 109.328 108.800 0.001 0.000 3.026 555 G HA2 0.483 4.443 3.960 -0.000 0.000 0.252 555 G HA3 0.483 4.443 3.960 -0.000 0.000 0.252 555 G C 0.407 175.309 174.900 0.005 0.000 1.070 555 G CA 0.064 45.165 45.100 0.002 0.000 1.183 555 G HN 2.905 nan 8.290 nan 0.000 0.571 556 I N -3.180 117.392 120.570 0.003 0.000 7.571 556 I HA 0.533 4.703 4.170 -0.000 0.000 0.126 556 I C 0.579 176.701 176.117 0.010 0.000 1.842 556 I CA 2.457 63.761 61.300 0.005 0.000 2.038 556 I CB -2.204 35.800 38.000 0.006 0.000 3.675 556 I HN 3.073 nan 8.210 nan 0.000 0.169 557 R N 0.000 120.504 120.500 0.007 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.108 56.100 0.014 0.000 0.921 557 R CB 0.000 30.317 30.300 0.027 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535