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 3lan_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVS 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 0.000 177.357 177.300 0.094 0.000 1.155 1 P CA 0.000 63.140 63.100 0.067 0.000 0.800 1 P CB 0.000 31.728 31.700 0.046 0.000 0.726 2 I N 0.281 120.899 120.570 0.081 0.000 2.439 2 I HA 0.355 4.523 4.170 -0.003 0.000 0.285 2 I C 0.269 176.441 176.117 0.092 0.000 1.021 2 I CA -0.680 60.680 61.300 0.099 0.000 1.091 2 I CB 1.852 39.900 38.000 0.081 0.000 1.242 2 I HN 0.354 nan 8.210 nan 0.000 0.439 3 S N 7.728 123.500 115.700 0.121 0.000 2.558 3 S HA 0.154 4.623 4.470 -0.003 0.000 0.288 3 S C -1.364 173.322 174.600 0.143 0.000 1.318 3 S CA -0.667 57.620 58.200 0.145 0.000 1.056 3 S CB 0.630 63.935 63.200 0.174 0.000 0.853 3 S HN 0.509 nan 8.310 nan 0.000 0.505 4 P HA 0.175 nan 4.420 nan 0.000 0.257 4 P C 0.485 177.964 177.300 0.297 0.000 1.281 4 P CA -0.108 63.067 63.100 0.125 0.000 0.826 4 P CB -0.245 31.419 31.700 -0.060 0.000 1.237 5 I N 1.425 122.233 120.570 0.397 0.000 2.648 5 I HA 0.005 4.174 4.170 -0.003 0.000 0.284 5 I C 0.893 177.102 176.117 0.153 0.000 1.153 5 I CA -0.534 60.946 61.300 0.299 0.000 1.426 5 I CB 0.692 38.740 38.000 0.080 0.000 1.381 5 I HN -0.007 nan 8.210 nan 0.000 0.571 6 E N 4.713 124.984 120.200 0.118 0.000 2.461 6 E HA 0.049 4.398 4.350 -0.003 0.000 0.263 6 E C -0.406 176.229 176.600 0.058 0.000 1.143 6 E CA -0.400 56.048 56.400 0.080 0.000 0.994 6 E CB 0.110 29.848 29.700 0.063 0.000 0.973 6 E HN 0.654 nan 8.360 nan 0.000 0.457 7 T N -1.685 112.903 114.554 0.058 0.000 2.934 7 T HA 0.359 4.707 4.350 -0.003 0.000 0.283 7 T C 0.082 174.813 174.700 0.051 0.000 1.005 7 T CA -1.062 61.072 62.100 0.057 0.000 1.041 7 T CB 1.316 70.224 68.868 0.068 0.000 1.042 7 T HN 0.316 nan 8.240 nan 0.000 0.505 8 V N 4.739 124.684 119.914 0.053 0.000 2.427 8 V HA 0.290 4.409 4.120 -0.003 0.000 0.268 8 V C -1.685 174.457 176.094 0.081 0.000 1.046 8 V CA -1.593 60.744 62.300 0.062 0.000 0.970 8 V CB 0.289 32.152 31.823 0.066 0.000 1.001 8 V HN 0.841 nan 8.190 nan 0.000 0.476 9 P HA 0.191 nan 4.420 nan 0.000 0.266 9 P C -0.777 176.570 177.300 0.079 0.000 1.195 9 P CA 0.215 63.362 63.100 0.079 0.000 0.768 9 P CB 1.188 32.926 31.700 0.063 0.000 0.838 10 V N 3.358 123.313 119.914 0.069 0.000 3.049 10 V HA 0.530 4.649 4.120 -0.003 0.000 0.309 10 V C 0.088 176.217 176.094 0.058 0.000 1.148 10 V CA -0.631 61.658 62.300 -0.018 0.000 0.990 10 V CB 2.547 34.219 31.823 -0.252 0.000 1.039 10 V HN 0.565 nan 8.190 nan 0.000 0.430 11 K N 1.793 122.204 120.400 0.019 0.000 2.499 11 K HA 0.769 5.088 4.320 -0.003 0.000 0.277 11 K C -1.881 174.817 176.600 0.163 0.000 1.025 11 K CA -0.904 55.485 56.287 0.171 0.000 0.900 11 K CB 2.293 34.840 32.500 0.078 0.000 1.494 11 K HN 0.346 nan 8.250 nan 0.000 0.442 12 L N 0.978 122.284 121.223 0.138 0.000 2.332 12 L HA 0.466 4.804 4.340 -0.003 0.000 0.269 12 L C -0.052 176.815 176.870 -0.004 0.000 1.016 12 L CA -0.899 53.975 54.840 0.057 0.000 0.809 12 L CB 0.559 42.579 42.059 -0.065 0.000 1.280 12 L HN 0.336 nan 8.230 nan 0.000 0.447 13 K N 1.882 122.271 120.400 -0.019 0.000 2.527 13 K HA 0.013 4.331 4.320 -0.003 0.000 0.278 13 K C -1.533 175.058 176.600 -0.015 0.000 0.981 13 K CA -0.903 55.368 56.287 -0.027 0.000 1.009 13 K CB 0.259 32.746 32.500 -0.023 0.000 0.895 13 K HN 0.400 nan 8.250 nan 0.000 0.493 14 P HA -0.168 nan 4.420 nan 0.000 0.215 14 P C 0.813 178.116 177.300 0.006 0.000 1.153 14 P CA 1.444 64.543 63.100 -0.001 0.000 0.853 14 P CB 0.080 31.779 31.700 -0.002 0.000 0.788 15 G N -1.188 107.615 108.800 0.004 0.000 3.518 15 G HA2 0.349 4.307 3.960 -0.003 0.000 0.273 15 G HA3 0.349 4.307 3.960 -0.003 0.000 0.273 15 G C 0.507 175.413 174.900 0.011 0.000 1.199 15 G CA -0.143 44.964 45.100 0.010 0.000 0.899 15 G HN 0.182 nan 8.290 nan 0.000 0.533 16 M N -0.679 118.922 119.600 0.003 0.000 2.819 16 M HA 0.543 5.022 4.480 -0.003 0.000 0.300 16 M C -1.442 174.848 176.300 -0.016 0.000 1.237 16 M CA -0.830 54.469 55.300 -0.003 0.000 0.813 16 M CB 2.331 34.923 32.600 -0.013 0.000 1.755 16 M HN -0.013 nan 8.290 nan 0.000 0.484 17 D N -0.741 119.644 120.400 -0.025 0.000 2.583 17 D HA 0.522 5.161 4.640 -0.003 0.000 0.248 17 D C -0.647 175.581 176.300 -0.120 0.000 1.209 17 D CA -0.098 53.880 54.000 -0.037 0.000 0.848 17 D CB 1.852 42.710 40.800 0.098 0.000 1.431 17 D HN 0.715 nan 8.370 nan 0.000 0.436 18 G N 1.106 109.725 108.800 -0.302 0.000 2.559 18 G HA2 0.346 4.304 3.960 -0.003 0.000 0.235 18 G HA3 0.346 4.304 3.960 -0.003 0.000 0.235 18 G C -2.145 172.810 174.900 0.091 0.000 1.266 18 G CA -0.703 44.131 45.100 -0.444 0.000 0.847 18 G HN 0.428 nan 8.290 nan 0.000 0.583 19 P HA 0.182 nan 4.420 nan 0.000 0.269 19 P C -0.505 176.970 177.300 0.290 0.000 1.215 19 P CA -0.039 63.175 63.100 0.191 0.000 0.780 19 P CB 0.981 32.789 31.700 0.180 0.000 0.898 20 K N 0.982 121.506 120.400 0.205 0.000 3.123 20 K HA 0.235 4.553 4.320 -0.003 0.000 0.209 20 K C -0.284 176.391 176.600 0.126 0.000 1.132 20 K CA -0.510 55.877 56.287 0.167 0.000 0.992 20 K CB 0.664 33.236 32.500 0.119 0.000 0.773 20 K HN 0.207 nan 8.250 nan 0.000 0.458 21 V N 1.991 121.987 119.914 0.137 0.000 2.740 21 V HA 0.025 4.143 4.120 -0.003 0.000 0.303 21 V C 0.680 176.846 176.094 0.120 0.000 1.054 21 V CA 0.077 62.450 62.300 0.121 0.000 1.106 21 V CB 0.814 32.710 31.823 0.122 0.000 0.957 21 V HN 0.275 nan 8.190 nan 0.000 0.486 22 K N 3.197 123.667 120.400 0.116 0.000 2.110 22 K HA 0.276 4.595 4.320 -0.003 0.000 0.263 22 K C -0.234 176.453 176.600 0.144 0.000 0.975 22 K CA -0.760 55.593 56.287 0.111 0.000 0.895 22 K CB 1.125 33.682 32.500 0.095 0.000 1.060 22 K HN 0.595 nan 8.250 nan 0.000 0.448 23 Q N 3.193 123.071 119.800 0.129 0.000 2.297 23 Q HA -0.038 4.300 4.340 -0.003 0.000 0.267 23 Q C -0.952 175.165 176.000 0.194 0.000 1.006 23 Q CA 0.041 55.937 55.803 0.155 0.000 0.896 23 Q CB 0.489 29.288 28.738 0.102 0.000 1.186 23 Q HN 0.609 nan 8.270 nan 0.000 0.392 24 W N 8.401 129.744 121.300 0.071 0.000 2.419 24 W HA 0.189 4.847 4.660 -0.003 0.000 0.312 24 W C -2.351 174.184 176.519 0.027 0.000 1.323 24 W CA -1.718 55.670 57.345 0.073 0.000 1.293 24 W CB 0.809 30.355 29.460 0.143 0.000 1.324 24 W HN 0.431 nan 8.180 nan 0.000 0.512 25 P HA 0.055 nan 4.420 nan 0.000 0.267 25 P C -0.832 176.239 177.300 -0.381 0.000 1.200 25 P CA 0.531 63.396 63.100 -0.392 0.000 0.772 25 P CB 1.248 32.690 31.700 -0.430 0.000 0.855 26 L N 1.181 122.269 121.223 -0.224 0.000 2.341 26 L HA 0.424 4.762 4.340 -0.003 0.000 0.267 26 L C 1.250 178.032 176.870 -0.147 0.000 1.009 26 L CA -0.909 53.817 54.840 -0.190 0.000 0.819 26 L CB 1.961 43.866 42.059 -0.257 0.000 1.323 26 L HN 0.382 nan 8.230 nan 0.000 0.425 27 T N -2.916 111.577 114.554 -0.103 0.000 2.734 27 T HA 0.054 4.402 4.350 -0.003 0.000 0.314 27 T C 0.829 175.461 174.700 -0.112 0.000 1.057 27 T CA -0.305 61.752 62.100 -0.072 0.000 1.047 27 T CB 0.748 69.610 68.868 -0.009 0.000 0.991 27 T HN 0.688 nan 8.240 nan 0.000 0.540 28 E N 0.718 120.864 120.200 -0.089 0.000 2.072 28 E HA -0.148 4.200 4.350 -0.003 0.000 0.190 28 E C 2.276 178.782 176.600 -0.157 0.000 0.982 28 E CA 1.339 57.676 56.400 -0.105 0.000 0.803 28 E CB -0.121 29.538 29.700 -0.069 0.000 0.755 28 E HN 0.957 nan 8.360 nan 0.000 0.453 29 E N 1.984 122.091 120.200 -0.155 0.000 2.160 29 E HA -0.207 4.141 4.350 -0.003 0.000 0.195 29 E C 1.864 178.109 176.600 -0.590 0.000 0.991 29 E CA 0.991 57.234 56.400 -0.262 0.000 0.810 29 E CB -0.181 29.465 29.700 -0.090 0.000 0.742 29 E HN 0.107 nan 8.360 nan 0.000 0.466 30 K N 0.700 120.801 120.400 -0.499 0.000 2.025 30 K HA -0.040 4.279 4.320 -0.003 0.000 0.207 30 K C 2.341 178.696 176.600 -0.408 0.000 1.049 30 K CA 1.402 57.349 56.287 -0.567 0.000 0.933 30 K CB -0.184 32.112 32.500 -0.340 0.000 0.714 30 K HN 0.210 nan 8.250 nan 0.000 0.438 31 I N 1.470 121.874 120.570 -0.277 0.000 2.208 31 I HA -0.325 3.844 4.170 -0.003 0.000 0.245 31 I C 2.623 178.625 176.117 -0.191 0.000 1.097 31 I CA 1.355 62.541 61.300 -0.190 0.000 1.363 31 I CB -0.295 37.622 38.000 -0.138 0.000 1.051 31 I HN 0.218 nan 8.210 nan 0.000 0.413 32 K N 1.288 121.547 120.400 -0.235 0.000 2.025 32 K HA -0.164 4.155 4.320 -0.003 0.000 0.207 32 K C 2.261 178.711 176.600 -0.250 0.000 1.049 32 K CA 1.430 57.594 56.287 -0.205 0.000 0.933 32 K CB -0.108 32.276 32.500 -0.193 0.000 0.714 32 K HN 0.260 nan 8.250 nan 0.000 0.438 33 A N 1.590 124.139 122.820 -0.451 0.000 1.865 33 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 33 A C 2.160 179.618 177.584 -0.210 0.000 1.191 33 A CA 1.510 53.269 52.037 -0.463 0.000 0.623 33 A CB -0.837 17.573 19.000 -0.982 0.000 0.826 33 A HN 0.345 nan 8.150 nan 0.000 0.444 34 L N -0.426 120.680 121.223 -0.195 0.000 2.043 34 L HA -0.213 4.126 4.340 -0.003 0.000 0.212 34 L C 2.591 179.432 176.870 -0.048 0.000 1.075 34 L CA 1.546 56.337 54.840 -0.081 0.000 0.752 34 L CB -0.632 41.392 42.059 -0.059 0.000 0.891 34 L HN 0.293 nan 8.230 nan 0.000 0.432 35 V N -0.285 119.596 119.914 -0.054 0.000 2.358 35 V HA -0.253 3.865 4.120 -0.003 0.000 0.246 35 V C 2.304 178.387 176.094 -0.019 0.000 1.047 35 V CA 1.711 64.003 62.300 -0.013 0.000 1.035 35 V CB -0.498 31.314 31.823 -0.017 0.000 0.658 35 V HN 0.478 nan 8.190 nan 0.000 0.452 36 E N -0.185 119.993 120.200 -0.037 0.000 2.204 36 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 36 E C 2.134 178.730 176.600 -0.007 0.000 0.989 36 E CA 1.214 57.603 56.400 -0.018 0.000 0.824 36 E CB -0.114 29.575 29.700 -0.019 0.000 0.756 36 E HN 0.587 nan 8.360 nan 0.000 0.477 37 I N 0.256 120.817 120.570 -0.014 0.000 2.277 37 I HA -0.220 3.948 4.170 -0.003 0.000 0.243 37 I C 2.337 178.420 176.117 -0.057 0.000 1.094 37 I CA 0.478 61.775 61.300 -0.004 0.000 1.393 37 I CB -0.136 37.876 38.000 0.020 0.000 1.078 37 I HN 0.185 nan 8.210 nan 0.000 0.417 38 C N 0.398 119.627 119.300 -0.118 0.000 2.457 38 C HA -0.110 4.348 4.460 -0.003 0.000 0.278 38 C C 3.011 177.865 174.990 -0.227 0.000 1.309 38 C CA 1.202 60.029 59.018 -0.318 0.000 1.735 38 C CB -0.953 26.443 27.740 -0.573 0.000 1.992 38 C HN 0.493 nan 8.230 nan 0.000 0.493 39 T N 0.694 115.215 114.554 -0.054 0.000 2.684 39 T HA -0.218 4.131 4.350 -0.003 0.000 0.267 39 T C 1.723 176.419 174.700 -0.006 0.000 1.036 39 T CA 2.075 64.186 62.100 0.018 0.000 1.148 39 T CB -0.292 68.593 68.868 0.028 0.000 0.863 39 T HN 0.599 nan 8.240 nan 0.000 0.436 40 E N 1.089 121.279 120.200 -0.016 0.000 2.047 40 E HA -0.035 4.313 4.350 -0.003 0.000 0.191 40 E C 2.152 178.742 176.600 -0.016 0.000 0.987 40 E CA 1.298 57.697 56.400 -0.003 0.000 0.799 40 E CB -0.398 29.310 29.700 0.014 0.000 0.752 40 E HN 0.474 nan 8.360 nan 0.000 0.449 41 M N 0.247 119.815 119.600 -0.053 0.000 2.149 41 M HA -0.153 4.326 4.480 -0.003 0.000 0.261 41 M C 2.339 178.581 176.300 -0.097 0.000 1.064 41 M CA 1.758 57.003 55.300 -0.090 0.000 1.102 41 M CB -0.265 32.228 32.600 -0.178 0.000 1.369 41 M HN 0.193 nan 8.290 nan 0.000 0.408 42 E N 0.401 120.552 120.200 -0.082 0.000 2.208 42 E HA -0.195 4.153 4.350 -0.003 0.000 0.193 42 E C 1.675 178.277 176.600 0.002 0.000 0.988 42 E CA 0.973 57.365 56.400 -0.014 0.000 0.828 42 E CB 0.224 29.988 29.700 0.106 0.000 0.763 42 E HN 0.182 nan 8.360 nan 0.000 0.478 43 K N 0.784 121.185 120.400 0.001 0.000 2.296 43 K HA -0.026 4.293 4.320 -0.003 0.000 0.200 43 K C 1.294 177.897 176.600 0.006 0.000 1.048 43 K CA 0.805 57.096 56.287 0.007 0.000 0.966 43 K CB 0.294 32.800 32.500 0.010 0.000 0.754 43 K HN 0.138 nan 8.250 nan 0.000 0.466 44 E N -1.453 118.747 120.200 0.001 0.000 2.474 44 E HA 0.140 4.489 4.350 -0.003 0.000 0.195 44 E C 0.632 177.234 176.600 0.003 0.000 1.039 44 E CA 0.485 56.892 56.400 0.011 0.000 0.881 44 E CB 0.687 30.402 29.700 0.026 0.000 0.970 44 E HN 0.397 nan 8.360 nan 0.000 0.486 45 G N 2.183 110.975 108.800 -0.013 0.000 2.195 45 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.246 45 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.246 45 G C 1.176 176.050 174.900 -0.045 0.000 0.984 45 G CA 0.489 45.581 45.100 -0.015 0.000 0.633 45 G HN 0.055 nan 8.290 nan 0.000 0.525 46 K N 0.406 120.752 120.400 -0.091 0.000 2.063 46 K HA 0.062 4.381 4.320 -0.003 0.000 0.208 46 K C 1.686 178.142 176.600 -0.241 0.000 1.048 46 K CA 1.859 58.028 56.287 -0.196 0.000 0.928 46 K CB -0.438 31.850 32.500 -0.353 0.000 0.713 46 K HN 0.995 nan 8.250 nan 0.000 0.442 47 I N -3.716 116.721 120.570 -0.222 0.000 3.042 47 I HA 0.432 4.601 4.170 -0.003 0.000 0.310 47 I C -0.822 175.284 176.117 -0.018 0.000 1.117 47 I CA -0.895 60.288 61.300 -0.195 0.000 1.003 47 I CB 2.610 40.402 38.000 -0.347 0.000 1.228 47 I HN -0.333 nan 8.210 nan 0.000 0.443 48 S N 1.789 117.508 115.700 0.031 0.000 2.513 48 S HA 0.475 4.943 4.470 -0.003 0.000 0.299 48 S C -0.807 173.792 174.600 -0.001 0.000 1.087 48 S CA -0.938 57.283 58.200 0.035 0.000 1.012 48 S CB 1.868 65.057 63.200 -0.018 0.000 1.044 48 S HN 0.703 nan 8.310 nan 0.000 0.485 49 K N 2.192 122.494 120.400 -0.164 0.000 2.118 49 K HA 0.716 5.034 4.320 -0.003 0.000 0.264 49 K C -0.371 176.059 176.600 -0.283 0.000 1.000 49 K CA -0.649 55.351 56.287 -0.479 0.000 0.929 49 K CB 0.604 32.658 32.500 -0.744 0.000 1.021 49 K HN 0.676 nan 8.250 nan 0.000 0.463 50 I N -2.558 117.837 120.570 -0.291 0.000 2.769 50 I HA 0.591 4.760 4.170 -0.003 0.000 0.298 50 I C -0.676 175.333 176.117 -0.179 0.000 1.128 50 I CA -1.175 60.014 61.300 -0.186 0.000 1.031 50 I CB 2.404 40.321 38.000 -0.140 0.000 1.235 50 I HN 0.731 nan 8.210 nan 0.000 0.423 51 G N 3.629 112.349 108.800 -0.134 0.000 2.416 51 G HA2 0.668 4.627 3.960 -0.003 0.000 0.324 51 G HA3 0.668 4.627 3.960 -0.003 0.000 0.324 51 G C -2.558 172.285 174.900 -0.094 0.000 1.194 51 G CA -1.384 43.646 45.100 -0.116 0.000 0.922 51 G HN 0.599 nan 8.290 nan 0.000 0.467 52 P HA 0.019 nan 4.420 nan 0.000 0.263 52 P C 0.391 177.647 177.300 -0.072 0.000 1.175 52 P CA 0.236 63.287 63.100 -0.081 0.000 0.761 52 P CB 1.446 33.099 31.700 -0.078 0.000 0.794 53 E N 0.946 121.104 120.200 -0.069 0.000 2.158 53 E HA -0.092 4.257 4.350 -0.003 0.000 0.191 53 E C 0.893 177.431 176.600 -0.105 0.000 0.982 53 E CA -0.016 56.337 56.400 -0.077 0.000 0.823 53 E CB -0.139 29.522 29.700 -0.065 0.000 0.766 53 E HN 0.493 nan 8.360 nan 0.000 0.468 54 N N 2.805 121.449 118.700 -0.093 0.000 2.182 54 N HA -0.085 4.653 4.740 -0.003 0.000 0.283 54 N C -1.618 173.783 175.510 -0.182 0.000 1.380 54 N CA -0.273 52.715 53.050 -0.104 0.000 0.874 54 N CB 0.780 39.246 38.487 -0.036 0.000 1.190 54 N HN 0.027 nan 8.380 nan 0.000 0.494 55 P HA -0.032 nan 4.420 nan 0.000 0.236 55 P C -0.473 176.574 177.300 -0.421 0.000 1.177 55 P CA 0.727 63.554 63.100 -0.456 0.000 0.773 55 P CB 0.073 31.420 31.700 -0.588 0.000 0.878 56 Y N 0.690 121.019 120.300 0.048 0.000 2.335 56 Y HA 0.522 5.071 4.550 -0.002 0.000 0.323 56 Y C 0.896 176.849 175.900 0.087 0.000 1.224 56 Y CA -0.654 57.498 58.100 0.087 0.000 1.241 56 Y CB 0.483 39.023 38.460 0.132 0.000 1.235 56 Y HN -0.146 nan 8.280 nan 0.000 0.492 57 N N -0.839 118.025 118.700 0.272 0.000 2.446 57 N HA 0.497 5.235 4.740 -0.003 0.000 0.272 57 N C -1.927 173.715 175.510 0.220 0.000 1.127 57 N CA -0.441 52.740 53.050 0.218 0.000 0.896 57 N CB 1.682 40.258 38.487 0.148 0.000 1.658 57 N HN 0.573 nan 8.380 nan 0.000 0.483 58 T N 2.883 117.571 114.554 0.224 0.000 2.881 58 T HA 0.545 4.893 4.350 -0.003 0.000 0.290 58 T C -2.795 171.965 174.700 0.099 0.000 1.000 58 T CA -0.984 61.195 62.100 0.132 0.000 0.978 58 T CB 1.952 70.850 68.868 0.049 0.000 0.997 58 T HN 0.362 nan 8.240 nan 0.000 0.443 59 P HA 0.279 nan 4.420 nan 0.000 0.271 59 P C -0.689 176.636 177.300 0.042 0.000 1.218 59 P CA -0.345 62.820 63.100 0.108 0.000 0.780 59 P CB 0.571 32.359 31.700 0.148 0.000 0.901 60 V N -0.222 119.748 119.914 0.093 0.000 2.769 60 V HA 0.735 4.854 4.120 -0.003 0.000 0.312 60 V C -0.760 175.417 176.094 0.138 0.000 1.061 60 V CA -0.859 61.462 62.300 0.034 0.000 0.931 60 V CB 1.835 33.642 31.823 -0.027 0.000 1.010 60 V HN 0.409 nan 8.190 nan 0.000 0.433 61 F N 0.998 120.950 119.950 0.003 0.000 2.643 61 F HA 0.905 5.430 4.527 -0.003 0.000 0.314 61 F C -0.019 175.823 175.800 0.069 0.000 1.096 61 F CA -0.128 57.904 58.000 0.054 0.000 0.953 61 F CB 2.322 41.354 39.000 0.053 0.000 1.345 61 F HN 0.968 nan 8.300 nan 0.000 0.468 62 A N 3.588 126.574 122.820 0.276 0.000 2.414 62 A HA 0.862 5.181 4.320 -0.003 0.000 0.306 62 A C -1.775 176.141 177.584 0.552 0.000 1.054 62 A CA -0.516 51.719 52.037 0.331 0.000 0.724 62 A CB 1.156 20.240 19.000 0.139 0.000 1.267 62 A HN 0.478 nan 8.150 nan 0.000 0.418 63 I N 0.269 121.128 120.570 0.482 0.000 3.042 63 I HA 0.480 4.649 4.170 -0.003 0.000 0.310 63 I C -0.150 176.018 176.117 0.085 0.000 1.117 63 I CA -0.890 60.598 61.300 0.312 0.000 1.003 63 I CB 2.065 40.166 38.000 0.169 0.000 1.228 63 I HN 0.808 nan 8.210 nan 0.000 0.443 64 K N 2.664 122.935 120.400 -0.216 0.000 2.264 64 K HA 0.239 4.558 4.320 -0.003 0.000 0.277 64 K C -0.298 176.160 176.600 -0.236 0.000 1.067 64 K CA -0.466 55.528 56.287 -0.489 0.000 0.900 64 K CB 0.716 32.831 32.500 -0.643 0.000 1.124 64 K HN 0.422 nan 8.250 nan 0.000 0.469 65 K N 4.737 125.027 120.400 -0.183 0.000 2.448 65 K HA -0.025 4.293 4.320 -0.003 0.000 0.278 65 K C -0.185 176.352 176.600 -0.104 0.000 1.009 65 K CA 0.610 56.837 56.287 -0.100 0.000 0.995 65 K CB 0.366 32.828 32.500 -0.063 0.000 0.917 65 K HN 0.791 nan 8.250 nan 0.000 0.481 66 K N 1.546 121.902 120.400 -0.074 0.000 2.143 66 K HA -0.390 3.929 4.320 -0.003 0.000 0.106 66 K C 0.539 177.091 176.600 -0.080 0.000 1.291 66 K CA 1.937 58.185 56.287 -0.066 0.000 0.562 66 K CB -1.188 31.280 32.500 -0.053 0.000 0.504 66 K HN 0.711 nan 8.250 nan 0.000 1.006 67 D N 0.560 120.919 120.400 -0.070 0.000 2.327 67 D HA 0.013 4.652 4.640 -0.003 0.000 0.205 67 D C 0.709 176.957 176.300 -0.087 0.000 0.989 67 D CA 0.743 54.700 54.000 -0.072 0.000 0.873 67 D CB 0.191 40.960 40.800 -0.051 0.000 0.955 67 D HN 0.537 nan 8.370 nan 0.000 0.515 68 S N -0.482 115.167 115.700 -0.086 0.000 2.632 68 S HA 0.038 4.506 4.470 -0.003 0.000 0.254 68 S C 1.032 175.552 174.600 -0.132 0.000 1.291 68 S CA 0.298 58.447 58.200 -0.085 0.000 0.974 68 S CB 0.828 63.991 63.200 -0.063 0.000 1.016 68 S HN 0.118 nan 8.310 nan 0.000 0.579 69 T N -2.745 111.742 114.554 -0.111 0.000 3.269 69 T HA 0.410 4.758 4.350 -0.003 0.000 0.269 69 T C -0.274 174.351 174.700 -0.125 0.000 0.993 69 T CA -0.672 61.340 62.100 -0.145 0.000 0.909 69 T CB -0.331 68.504 68.868 -0.056 0.000 1.115 69 T HN 0.479 nan 8.240 nan 0.000 0.543 70 K N 1.114 121.439 120.400 -0.126 0.000 2.174 70 K HA 0.542 4.860 4.320 -0.003 0.000 0.275 70 K C -1.225 175.308 176.600 -0.111 0.000 1.015 70 K CA -0.605 55.657 56.287 -0.041 0.000 0.933 70 K CB 0.666 33.160 32.500 -0.010 0.000 1.025 70 K HN 0.399 nan 8.250 nan 0.000 0.463 71 W N 2.854 124.167 121.300 0.023 0.000 2.512 71 W HA 0.501 5.159 4.660 -0.002 0.000 0.335 71 W C 0.228 176.767 176.519 0.033 0.000 1.088 71 W CA -0.556 56.807 57.345 0.030 0.000 1.236 71 W CB 1.279 30.756 29.460 0.028 0.000 1.307 71 W HN 0.241 nan 8.180 nan 0.000 0.567 72 R N 1.553 122.231 120.500 0.297 0.000 2.807 72 R HA 0.320 4.658 4.340 -0.003 0.000 0.276 72 R C -0.819 175.598 176.300 0.196 0.000 0.979 72 R CA -1.384 54.832 56.100 0.193 0.000 0.928 72 R CB 2.205 32.574 30.300 0.116 0.000 1.191 72 R HN 0.346 nan 8.270 nan 0.000 0.471 73 K N 3.467 123.957 120.400 0.149 0.000 2.250 73 K HA 0.231 4.550 4.320 -0.003 0.000 0.280 73 K C -0.718 175.947 176.600 0.108 0.000 1.098 73 K CA -0.188 56.170 56.287 0.118 0.000 0.916 73 K CB 0.356 32.912 32.500 0.093 0.000 1.209 73 K HN 0.440 nan 8.250 nan 0.000 0.461 74 L N 5.464 126.757 121.223 0.116 0.000 2.276 74 L HA 0.318 4.656 4.340 -0.003 0.000 0.286 74 L C -0.811 176.073 176.870 0.023 0.000 1.061 74 L CA -0.801 54.093 54.840 0.090 0.000 0.807 74 L CB 1.414 43.543 42.059 0.117 0.000 1.177 74 L HN 0.405 nan 8.230 nan 0.000 0.429 75 V N 3.045 122.930 119.914 -0.049 0.000 2.513 75 V HA 0.209 4.328 4.120 -0.003 0.000 0.299 75 V C -0.532 175.418 176.094 -0.241 0.000 1.035 75 V CA -0.717 61.431 62.300 -0.254 0.000 0.889 75 V CB 2.006 33.528 31.823 -0.500 0.000 0.988 75 V HN 0.668 nan 8.190 nan 0.000 0.440 76 D N 2.443 122.687 120.400 -0.260 0.000 2.467 76 D HA 0.368 5.007 4.640 -0.003 0.000 0.220 76 D C 0.085 176.295 176.300 -0.150 0.000 1.103 76 D CA -0.199 53.726 54.000 -0.125 0.000 0.886 76 D CB 0.465 41.237 40.800 -0.047 0.000 1.025 76 D HN 0.366 nan 8.370 nan 0.000 0.514 77 F N 2.169 122.179 119.950 0.100 0.000 2.765 77 F HA 0.266 4.792 4.527 -0.003 0.000 0.302 77 F C 2.159 178.041 175.800 0.137 0.000 1.111 77 F CA -0.342 57.743 58.000 0.143 0.000 1.359 77 F CB -0.076 39.050 39.000 0.209 0.000 1.097 77 F HN 0.307 nan 8.300 nan 0.000 0.577 78 R N 0.799 121.434 120.500 0.224 0.000 2.265 78 R HA -0.312 4.027 4.340 -0.003 0.000 0.256 78 R C 2.137 178.531 176.300 0.156 0.000 1.120 78 R CA 2.382 58.570 56.100 0.148 0.000 0.956 78 R CB -0.343 30.006 30.300 0.082 0.000 0.925 78 R HN 0.195 nan 8.270 nan 0.000 0.448 79 E N -0.865 119.437 120.200 0.169 0.000 2.086 79 E HA -0.039 4.310 4.350 -0.003 0.000 0.190 79 E C 1.628 178.338 176.600 0.184 0.000 0.975 79 E CA 0.610 57.099 56.400 0.149 0.000 0.813 79 E CB -0.202 29.576 29.700 0.131 0.000 0.768 79 E HN 0.229 nan 8.360 nan 0.000 0.457 80 L N 0.983 122.371 121.223 0.274 0.000 2.083 80 L HA -0.107 4.232 4.340 -0.003 0.000 0.209 80 L C 1.428 178.490 176.870 0.320 0.000 1.083 80 L CA 1.681 56.702 54.840 0.302 0.000 0.752 80 L CB -0.708 41.611 42.059 0.434 0.000 0.899 80 L HN 0.097 nan 8.230 nan 0.000 0.433 81 N N 0.125 119.016 118.700 0.318 0.000 2.120 81 N HA -0.186 4.552 4.740 -0.003 0.000 0.188 81 N C 1.748 177.333 175.510 0.126 0.000 1.024 81 N CA 1.423 54.601 53.050 0.213 0.000 0.852 81 N CB -0.211 38.370 38.487 0.156 0.000 1.003 81 N HN 0.442 nan 8.380 nan 0.000 0.424 82 K N 0.563 121.030 120.400 0.113 0.000 2.097 82 K HA -0.006 4.312 4.320 -0.003 0.000 0.206 82 K C 1.743 178.380 176.600 0.061 0.000 1.049 82 K CA 0.964 57.292 56.287 0.069 0.000 0.933 82 K CB -0.028 32.510 32.500 0.063 0.000 0.717 82 K HN 0.201 nan 8.250 nan 0.000 0.442 83 R N 0.337 120.888 120.500 0.084 0.000 2.297 83 R HA 0.055 4.394 4.340 -0.003 0.000 0.197 83 R C 0.315 176.657 176.300 0.070 0.000 0.943 83 R CA 0.340 56.470 56.100 0.051 0.000 1.038 83 R CB 0.236 30.549 30.300 0.022 0.000 0.957 83 R HN 0.025 nan 8.270 nan 0.000 0.484 84 T N 2.013 116.648 114.554 0.134 0.000 2.909 84 T HA 0.084 4.432 4.350 -0.003 0.000 0.286 84 T C 0.069 174.760 174.700 -0.015 0.000 1.002 84 T CA -0.646 61.556 62.100 0.171 0.000 1.074 84 T CB 1.468 70.540 68.868 0.341 0.000 0.984 84 T HN 0.216 nan 8.240 nan 0.000 0.495 85 Q N 2.088 121.806 119.800 -0.136 0.000 2.479 85 Q HA 0.111 4.449 4.340 -0.003 0.000 0.267 85 Q C -0.735 174.991 176.000 -0.455 0.000 1.071 85 Q CA -0.344 55.273 55.803 -0.309 0.000 0.935 85 Q CB 0.406 28.886 28.738 -0.431 0.000 1.295 85 Q HN 0.438 nan 8.270 nan 0.000 0.476 86 D N 1.081 121.280 120.400 -0.335 0.000 2.372 86 D HA 0.194 4.832 4.640 -0.003 0.000 0.243 86 D C -0.794 175.231 176.300 -0.459 0.000 1.121 86 D CA 0.349 54.190 54.000 -0.265 0.000 0.898 86 D CB 0.418 41.150 40.800 -0.114 0.000 1.202 86 D HN 0.344 nan 8.370 nan 0.000 0.428 87 F N 0.455 120.351 119.950 -0.091 0.000 2.507 87 F HA 0.223 4.749 4.527 -0.002 0.000 0.327 87 F C 0.626 176.447 175.800 0.035 0.000 1.068 87 F CA -1.238 56.733 58.000 -0.048 0.000 0.965 87 F CB 1.090 40.010 39.000 -0.134 0.000 1.192 87 F HN 0.298 nan 8.300 nan 0.000 0.476 88 W N 3.535 124.896 121.300 0.101 0.000 2.231 88 W HA 0.014 4.672 4.660 -0.003 0.000 0.341 88 W C -0.021 176.525 176.519 0.045 0.000 1.298 88 W CA -0.351 57.022 57.345 0.048 0.000 1.266 88 W CB 0.671 30.151 29.460 0.034 0.000 1.172 88 W HN 0.468 nan 8.180 nan 0.000 0.568 89 E N 3.402 123.019 120.200 -0.970 0.000 2.529 89 E HA -0.091 4.257 4.350 -0.003 0.000 0.259 89 E C 1.256 177.470 176.600 -0.642 0.000 0.966 89 E CA 0.200 56.120 56.400 -0.799 0.000 0.937 89 E CB 1.007 30.180 29.700 -0.879 0.000 0.923 89 E HN 0.442 nan 8.360 nan 0.000 0.468 90 V N 3.142 122.869 119.914 -0.312 0.000 2.233 90 V HA -0.242 3.877 4.120 -0.003 0.000 0.252 90 V C 1.129 177.149 176.094 -0.123 0.000 1.063 90 V CA 1.857 64.054 62.300 -0.172 0.000 1.032 90 V CB -0.333 31.412 31.823 -0.130 0.000 0.645 90 V HN 0.635 nan 8.190 nan 0.000 0.446 91 Q N -0.944 118.779 119.800 -0.129 0.000 2.638 91 Q HA 0.331 4.670 4.340 -0.003 0.000 0.227 91 Q C -1.811 174.181 176.000 -0.014 0.000 0.842 91 Q CA -0.054 55.731 55.803 -0.030 0.000 1.095 91 Q CB 1.466 30.239 28.738 0.058 0.000 1.595 91 Q HN 0.472 nan 8.270 nan 0.000 0.511 92 L N 1.843 123.050 121.223 -0.026 0.000 2.282 92 L HA 0.848 5.187 4.340 -0.003 0.000 0.288 92 L C 0.718 177.620 176.870 0.053 0.000 1.033 92 L CA -0.381 54.450 54.840 -0.014 0.000 0.807 92 L CB 1.717 43.731 42.059 -0.074 0.000 1.209 92 L HN 0.823 nan 8.230 nan 0.000 0.423 93 G N 3.726 112.567 108.800 0.067 0.000 3.172 93 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.686 93 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.686 93 G C -1.033 173.954 174.900 0.145 0.000 1.009 93 G CA -0.401 44.752 45.100 0.087 0.000 0.787 93 G HN 0.849 nan 8.290 nan 0.000 0.559 94 I N 1.004 121.669 120.570 0.159 0.000 2.562 94 I HA 0.855 5.023 4.170 -0.003 0.000 0.301 94 I C -1.820 174.390 176.117 0.155 0.000 1.003 94 I CA -2.852 58.597 61.300 0.247 0.000 1.127 94 I CB 1.839 40.019 38.000 0.299 0.000 1.304 94 I HN 0.390 nan 8.210 nan 0.000 0.446 95 P HA 0.079 nan 4.420 nan 0.000 0.268 95 P C -1.137 176.157 177.300 -0.011 0.000 1.208 95 P CA 0.196 63.245 63.100 -0.085 0.000 0.777 95 P CB 0.250 31.688 31.700 -0.437 0.000 0.875 96 H N 2.174 121.095 119.070 -0.248 0.000 2.459 96 H HA 0.234 4.788 4.556 -0.003 0.000 0.332 96 H C -1.881 173.139 175.328 -0.514 0.000 1.094 96 H CA -2.285 53.538 56.048 -0.376 0.000 1.224 96 H CB 1.580 31.107 29.762 -0.391 0.000 1.449 96 H HN 0.157 nan 8.280 nan 0.000 0.484 97 P HA -0.159 nan 4.420 nan 0.000 0.217 97 P C 1.047 178.103 177.300 -0.407 0.000 1.151 97 P CA 2.068 64.772 63.100 -0.660 0.000 0.849 97 P CB 0.056 31.002 31.700 -1.257 0.000 0.787 98 A N -0.651 121.979 122.820 -0.317 0.000 2.178 98 A HA -0.007 4.312 4.320 -0.003 0.000 0.218 98 A C 2.225 179.985 177.584 0.293 0.000 1.157 98 A CA 1.714 53.786 52.037 0.059 0.000 0.689 98 A CB -1.480 17.585 19.000 0.109 0.000 0.787 98 A HN 0.331 nan 8.150 nan 0.000 0.465 99 G N -1.034 107.756 108.800 -0.017 0.000 2.887 99 G HA2 0.355 4.314 3.960 -0.003 0.000 0.211 99 G HA3 0.355 4.314 3.960 -0.003 0.000 0.211 99 G C 0.462 175.425 174.900 0.104 0.000 1.152 99 G CA -0.346 44.686 45.100 -0.113 0.000 0.769 99 G HN 0.384 nan 8.290 nan 0.000 0.541 100 L N 1.211 122.507 121.223 0.121 0.000 2.410 100 L HA 0.292 4.630 4.340 -0.003 0.000 0.273 100 L C 0.153 177.117 176.870 0.157 0.000 1.152 100 L CA -0.632 54.235 54.840 0.044 0.000 0.855 100 L CB 0.891 42.852 42.059 -0.164 0.000 1.129 100 L HN -0.092 nan 8.230 nan 0.000 0.463 101 K N 2.880 123.348 120.400 0.113 0.000 2.382 101 K HA 0.067 4.385 4.320 -0.003 0.000 0.275 101 K C -0.028 176.519 176.600 -0.088 0.000 1.009 101 K CA -0.044 56.293 56.287 0.084 0.000 0.970 101 K CB 0.433 32.970 32.500 0.061 0.000 0.934 101 K HN 0.328 nan 8.250 nan 0.000 0.479 102 K N 2.299 122.680 120.400 -0.030 0.000 2.414 102 K HA 0.012 4.330 4.320 -0.003 0.000 0.272 102 K C -0.530 176.021 176.600 -0.081 0.000 0.993 102 K CA 0.226 56.455 56.287 -0.097 0.000 0.964 102 K CB 0.494 33.056 32.500 0.104 0.000 0.925 102 K HN 0.225 nan 8.250 nan 0.000 0.487 103 K N 3.561 123.900 120.400 -0.101 0.000 2.378 103 K HA 0.141 4.460 4.320 -0.003 0.000 0.252 103 K C 0.180 176.750 176.600 -0.050 0.000 0.931 103 K CA -0.563 55.687 56.287 -0.062 0.000 0.794 103 K CB 1.819 34.281 32.500 -0.062 0.000 1.181 103 K HN 0.554 nan 8.250 nan 0.000 0.425 104 K N 0.593 120.964 120.400 -0.049 0.000 2.044 104 K HA -0.090 4.229 4.320 -0.003 0.000 0.210 104 K C 0.360 176.891 176.600 -0.115 0.000 1.049 104 K CA 1.518 57.767 56.287 -0.063 0.000 0.927 104 K CB 0.159 32.625 32.500 -0.057 0.000 0.713 104 K HN 0.690 nan 8.250 nan 0.000 0.443 105 S N -0.341 115.234 115.700 -0.208 0.000 2.575 105 S HA 0.499 4.968 4.470 -0.003 0.000 0.278 105 S C -0.689 173.738 174.600 -0.289 0.000 1.139 105 S CA -1.176 56.806 58.200 -0.362 0.000 0.954 105 S CB 1.945 64.687 63.200 -0.764 0.000 1.054 105 S HN 0.035 nan 8.310 nan 0.000 0.483 106 V N -0.638 119.256 119.914 -0.033 0.000 2.735 106 V HA 0.929 5.048 4.120 -0.003 0.000 0.310 106 V C -0.686 175.589 176.094 0.303 0.000 1.061 106 V CA -0.476 61.935 62.300 0.184 0.000 0.913 106 V CB 1.502 33.473 31.823 0.247 0.000 1.005 106 V HN 0.914 nan 8.190 nan 0.000 0.428 107 T N 3.712 118.448 114.554 0.302 0.000 2.848 107 T HA 0.548 4.897 4.350 -0.003 0.000 0.285 107 T C -0.640 174.100 174.700 0.066 0.000 0.995 107 T CA -0.398 61.826 62.100 0.207 0.000 0.970 107 T CB 1.657 70.629 68.868 0.173 0.000 0.976 107 T HN 1.067 nan 8.240 nan 0.000 0.441 108 V N 6.045 125.942 119.914 -0.028 0.000 2.394 108 V HA 0.794 4.913 4.120 -0.003 0.000 0.282 108 V C -1.395 174.616 176.094 -0.138 0.000 1.031 108 V CA -0.720 61.485 62.300 -0.159 0.000 0.881 108 V CB 0.383 32.042 31.823 -0.274 0.000 0.982 108 V HN 0.727 nan 8.190 nan 0.000 0.451 109 L N 5.121 126.217 121.223 -0.211 0.000 2.436 109 L HA 0.756 5.094 4.340 -0.003 0.000 0.268 109 L C -0.848 175.908 176.870 -0.190 0.000 0.974 109 L CA -0.790 53.961 54.840 -0.147 0.000 0.826 109 L CB 1.951 43.949 42.059 -0.103 0.000 1.291 109 L HN 0.651 nan 8.230 nan 0.000 0.406 110 D N 2.073 122.396 120.400 -0.127 0.000 2.217 110 D HA 0.383 5.021 4.640 -0.003 0.000 0.243 110 D C -0.189 176.069 176.300 -0.071 0.000 1.054 110 D CA -0.507 53.421 54.000 -0.120 0.000 0.838 110 D CB 2.206 42.948 40.800 -0.097 0.000 1.162 110 D HN 0.394 nan 8.370 nan 0.000 0.472 111 V N 1.877 121.761 119.914 -0.049 0.000 2.599 111 V HA 0.371 4.489 4.120 -0.003 0.000 0.300 111 V C 1.423 177.497 176.094 -0.033 0.000 1.034 111 V CA 0.101 62.404 62.300 0.004 0.000 1.115 111 V CB 0.674 32.571 31.823 0.123 0.000 0.934 111 V HN 0.720 nan 8.190 nan 0.000 0.485 112 G N 2.024 110.819 108.800 -0.009 0.000 2.377 112 G HA2 0.486 4.444 3.960 -0.003 0.000 0.299 112 G HA3 0.486 4.444 3.960 -0.003 0.000 0.299 112 G C -0.220 174.672 174.900 -0.014 0.000 1.150 112 G CA -0.442 44.642 45.100 -0.026 0.000 0.847 112 G HN 0.946 nan 8.290 nan 0.000 0.501 113 D N 0.148 120.510 120.400 -0.065 0.000 2.704 113 D HA -0.217 4.421 4.640 -0.003 0.000 0.232 113 D C 1.614 177.902 176.300 -0.019 0.000 1.183 113 D CA 0.929 54.889 54.000 -0.065 0.000 0.647 113 D CB -0.770 40.065 40.800 0.057 0.000 1.013 113 D HN 0.630 nan 8.370 nan 0.000 0.415 114 A N -0.327 122.407 122.820 -0.143 0.000 1.883 114 A HA -0.251 4.067 4.320 -0.003 0.000 0.217 114 A C 1.756 179.453 177.584 0.188 0.000 1.186 114 A CA 1.244 53.245 52.037 -0.060 0.000 0.624 114 A CB -0.477 18.170 19.000 -0.589 0.000 0.822 114 A HN 0.462 nan 8.150 nan 0.000 0.444 115 Y N -1.077 119.158 120.300 -0.108 0.000 2.242 115 Y HA -0.062 4.486 4.550 -0.002 0.000 0.291 115 Y C 2.112 178.237 175.900 0.376 0.000 1.137 115 Y CA 0.122 58.283 58.100 0.101 0.000 1.181 115 Y CB -1.062 37.391 38.460 -0.013 0.000 0.989 115 Y HN 0.425 nan 8.280 nan 0.000 0.527 116 F N -1.032 119.073 119.950 0.258 0.000 2.748 116 F HA -0.083 4.443 4.527 -0.002 0.000 0.299 116 F C 1.796 177.704 175.800 0.180 0.000 1.154 116 F CA 0.191 58.318 58.000 0.212 0.000 1.446 116 F CB 0.045 39.146 39.000 0.169 0.000 1.112 116 F HN -0.078 nan 8.300 nan 0.000 0.584 117 S N -0.342 115.584 115.700 0.377 0.000 2.575 117 S HA 0.102 4.571 4.470 -0.003 0.000 0.215 117 S C 0.366 175.112 174.600 0.243 0.000 0.966 117 S CA 0.082 58.443 58.200 0.268 0.000 0.911 117 S CB 0.244 63.588 63.200 0.241 0.000 0.780 117 S HN -0.107 nan 8.310 nan 0.000 0.514 118 V N 4.237 124.319 119.914 0.281 0.000 2.495 118 V HA 0.406 4.524 4.120 -0.003 0.000 0.298 118 V C -2.374 173.824 176.094 0.173 0.000 1.031 118 V CA -2.329 60.095 62.300 0.207 0.000 0.871 118 V CB 1.909 33.864 31.823 0.219 0.000 0.988 118 V HN 0.045 nan 8.190 nan 0.000 0.432 119 P HA 0.230 nan 4.420 nan 0.000 0.272 119 P C -0.847 176.513 177.300 0.099 0.000 1.230 119 P CA -0.253 62.911 63.100 0.107 0.000 0.788 119 P CB 1.461 33.215 31.700 0.091 0.000 0.949 120 L N 1.380 122.657 121.223 0.089 0.000 2.331 120 L HA 0.316 4.655 4.340 -0.003 0.000 0.275 120 L C 0.293 177.216 176.870 0.088 0.000 1.022 120 L CA -0.886 54.000 54.840 0.077 0.000 0.812 120 L CB 1.549 43.639 42.059 0.052 0.000 1.257 120 L HN 0.343 nan 8.230 nan 0.000 0.435 121 D N 2.863 123.324 120.400 0.102 0.000 2.570 121 D HA -0.110 4.528 4.640 -0.003 0.000 0.243 121 D C 1.135 177.511 176.300 0.128 0.000 1.171 121 D CA 0.685 54.757 54.000 0.119 0.000 0.879 121 D CB 0.807 41.692 40.800 0.142 0.000 1.143 121 D HN 0.529 nan 8.370 nan 0.000 0.511 122 E N 2.540 122.792 120.200 0.086 0.000 2.086 122 E HA -0.227 4.121 4.350 -0.003 0.000 0.200 122 E C 0.936 177.564 176.600 0.046 0.000 1.012 122 E CA 1.378 57.812 56.400 0.056 0.000 0.812 122 E CB 0.093 29.816 29.700 0.039 0.000 0.743 122 E HN 0.610 nan 8.360 nan 0.000 0.453 123 D N -0.588 119.857 120.400 0.075 0.000 2.351 123 D HA -0.127 4.512 4.640 -0.003 0.000 0.216 123 D C 1.193 177.529 176.300 0.060 0.000 0.968 123 D CA 0.690 54.726 54.000 0.060 0.000 0.899 123 D CB -0.081 40.782 40.800 0.104 0.000 0.907 123 D HN 0.148 nan 8.370 nan 0.000 0.514 124 F N 0.569 120.493 119.950 -0.043 0.000 2.720 124 F HA 0.197 4.722 4.527 -0.002 0.000 0.301 124 F C 1.900 177.615 175.800 -0.141 0.000 1.103 124 F CA -0.206 57.780 58.000 -0.024 0.000 1.291 124 F CB 0.343 39.389 39.000 0.076 0.000 1.086 124 F HN -0.282 nan 8.300 nan 0.000 0.592 125 R N 1.031 121.489 120.500 -0.070 0.000 2.127 125 R HA -0.160 4.179 4.340 -0.003 0.000 0.238 125 R C 2.055 178.244 176.300 -0.186 0.000 1.134 125 R CA 1.689 57.743 56.100 -0.077 0.000 0.975 125 R CB -0.443 29.851 30.300 -0.010 0.000 0.865 125 R HN 0.378 nan 8.270 nan 0.000 0.447 126 K N -0.330 119.857 120.400 -0.355 0.000 2.362 126 K HA -0.116 4.202 4.320 -0.003 0.000 0.200 126 K C 0.752 177.155 176.600 -0.329 0.000 1.046 126 K CA 1.193 57.293 56.287 -0.311 0.000 0.952 126 K CB -0.053 32.250 32.500 -0.330 0.000 0.753 126 K HN 0.215 nan 8.250 nan 0.000 0.466 127 Y N 2.360 122.406 120.300 -0.423 0.000 2.490 127 Y HA 0.013 4.561 4.550 -0.003 0.000 0.281 127 Y C 2.147 177.931 175.900 -0.195 0.000 1.174 127 Y CA 0.819 58.602 58.100 -0.528 0.000 1.295 127 Y CB -0.042 37.858 38.460 -0.934 0.000 1.062 127 Y HN 0.283 nan 8.280 nan 0.000 0.522 128 T N -3.019 111.557 114.554 0.037 0.000 3.086 128 T HA 0.432 4.781 4.350 -0.003 0.000 0.250 128 T C 1.032 176.013 174.700 0.468 0.000 1.074 128 T CA 0.070 62.342 62.100 0.288 0.000 0.988 128 T CB -0.414 68.598 68.868 0.241 0.000 0.988 128 T HN 0.174 nan 8.240 nan 0.000 0.530 129 A N 1.991 124.983 122.820 0.287 0.000 2.584 129 A HA 0.458 4.776 4.320 -0.003 0.000 0.239 129 A C 0.074 177.861 177.584 0.339 0.000 1.043 129 A CA -0.151 52.019 52.037 0.221 0.000 0.756 129 A CB -0.793 18.288 19.000 0.134 0.000 0.963 129 A HN 0.744 nan 8.150 nan 0.000 0.511 130 F N 0.151 120.199 119.950 0.164 0.000 2.664 130 F HA 0.887 5.413 4.527 -0.002 0.000 0.329 130 F C 0.032 175.900 175.800 0.113 0.000 1.090 130 F CA -0.546 57.530 58.000 0.127 0.000 0.978 130 F CB 1.414 40.482 39.000 0.114 0.000 1.378 130 F HN 0.561 nan 8.300 nan 0.000 0.495 131 T N -0.615 114.082 114.554 0.237 0.000 2.921 131 T HA 0.676 5.024 4.350 -0.003 0.000 0.297 131 T C -0.931 173.873 174.700 0.174 0.000 1.013 131 T CA -0.543 61.615 62.100 0.097 0.000 0.990 131 T CB 1.192 70.086 68.868 0.044 0.000 1.023 131 T HN 0.733 nan 8.240 nan 0.000 0.447 132 I N 5.130 125.782 120.570 0.136 0.000 2.322 132 I HA 0.303 4.472 4.170 -0.003 0.000 0.292 132 I C -1.875 174.258 176.117 0.026 0.000 1.060 132 I CA -2.293 59.068 61.300 0.102 0.000 1.309 132 I CB 1.006 39.073 38.000 0.111 0.000 1.415 132 I HN 0.442 nan 8.210 nan 0.000 0.492 133 P HA 0.079 nan 4.420 nan 0.000 0.272 133 P C -0.320 176.951 177.300 -0.049 0.000 1.230 133 P CA -0.332 62.749 63.100 -0.032 0.000 0.788 133 P CB 0.763 32.432 31.700 -0.053 0.000 0.949 134 S N 1.525 117.193 115.700 -0.053 0.000 2.624 134 S HA 0.323 4.791 4.470 -0.003 0.000 0.263 134 S C 0.697 175.256 174.600 -0.070 0.000 1.287 134 S CA -0.838 57.327 58.200 -0.057 0.000 0.990 134 S CB -0.094 63.074 63.200 -0.053 0.000 0.950 134 S HN 0.324 nan 8.310 nan 0.000 0.561 135 I N 2.431 122.962 120.570 -0.066 0.000 2.741 135 I HA -0.059 4.109 4.170 -0.003 0.000 0.288 135 I C 0.736 176.809 176.117 -0.073 0.000 1.192 135 I CA 0.269 61.527 61.300 -0.070 0.000 1.426 135 I CB -0.618 37.346 38.000 -0.059 0.000 1.367 135 I HN 0.687 nan 8.210 nan 0.000 0.563 136 N N 4.721 123.368 118.700 -0.087 0.000 2.717 136 N HA -0.325 4.413 4.740 -0.003 0.000 0.248 136 N C 0.636 176.087 175.510 -0.098 0.000 1.099 136 N CA 1.681 54.673 53.050 -0.096 0.000 0.843 136 N CB -1.140 37.301 38.487 -0.076 0.000 1.155 136 N HN 0.963 nan 8.380 nan 0.000 0.580 137 N N -1.817 116.829 118.700 -0.090 0.000 2.984 137 N HA -0.199 4.540 4.740 -0.003 0.000 0.227 137 N C 0.358 175.829 175.510 -0.065 0.000 0.903 137 N CA 0.885 53.886 53.050 -0.083 0.000 0.995 137 N CB -0.605 37.820 38.487 -0.103 0.000 1.065 137 N HN 0.192 nan 8.380 nan 0.000 0.585 138 E N 0.508 120.673 120.200 -0.059 0.000 2.265 138 E HA -0.078 4.270 4.350 -0.003 0.000 0.196 138 E C 0.918 177.492 176.600 -0.044 0.000 0.996 138 E CA 1.651 58.021 56.400 -0.049 0.000 0.832 138 E CB 0.028 29.701 29.700 -0.045 0.000 0.756 138 E HN 0.634 nan 8.360 nan 0.000 0.491 139 T N -1.565 112.962 114.554 -0.046 0.000 2.942 139 T HA 0.526 4.874 4.350 -0.003 0.000 0.289 139 T C -2.790 171.882 174.700 -0.046 0.000 1.044 139 T CA -2.351 59.722 62.100 -0.044 0.000 1.023 139 T CB 1.845 70.687 68.868 -0.043 0.000 1.123 139 T HN -0.303 nan 8.240 nan 0.000 0.512 140 P HA 0.309 nan 4.420 nan 0.000 0.268 140 P C 0.547 177.815 177.300 -0.054 0.000 1.204 140 P CA 0.064 63.134 63.100 -0.050 0.000 0.768 140 P CB 0.143 31.811 31.700 -0.054 0.000 0.842 141 G N 2.531 111.300 108.800 -0.051 0.000 2.588 141 G HA2 0.440 4.399 3.960 -0.003 0.000 0.278 141 G HA3 0.440 4.399 3.960 -0.003 0.000 0.278 141 G C -0.431 174.425 174.900 -0.075 0.000 1.307 141 G CA -0.794 44.277 45.100 -0.049 0.000 1.016 141 G HN 0.442 nan 8.290 nan 0.000 0.503 142 I N 0.809 121.336 120.570 -0.070 0.000 2.315 142 I HA 0.309 4.478 4.170 -0.003 0.000 0.291 142 I C 0.081 176.081 176.117 -0.196 0.000 1.006 142 I CA -0.445 60.767 61.300 -0.147 0.000 1.265 142 I CB 1.112 39.055 38.000 -0.094 0.000 1.387 142 I HN 0.191 nan 8.210 nan 0.000 0.475 143 R N 6.462 126.771 120.500 -0.320 0.000 2.338 143 R HA 0.526 4.865 4.340 -0.003 0.000 0.317 143 R C -1.370 174.609 176.300 -0.535 0.000 0.968 143 R CA -0.724 55.179 56.100 -0.328 0.000 0.849 143 R CB 1.332 31.501 30.300 -0.218 0.000 1.128 143 R HN 0.473 nan 8.270 nan 0.000 0.448 144 Y N 0.871 120.801 120.300 -0.617 0.000 2.587 144 Y HA 0.266 4.815 4.550 -0.002 0.000 0.337 144 Y C 0.529 176.130 175.900 -0.498 0.000 1.065 144 Y CA -0.851 56.892 58.100 -0.594 0.000 1.126 144 Y CB 2.037 40.050 38.460 -0.746 0.000 1.279 144 Y HN 0.465 nan 8.280 nan 0.000 0.489 145 Q N 0.011 119.768 119.800 -0.072 0.000 2.413 145 Q HA 0.491 4.830 4.340 -0.003 0.000 0.276 145 Q C -1.956 174.084 176.000 0.067 0.000 1.099 145 Q CA -1.116 54.719 55.803 0.054 0.000 0.814 145 Q CB 1.896 30.652 28.738 0.030 0.000 1.379 145 Q HN 0.651 nan 8.270 nan 0.000 0.436 146 Y N 1.383 121.762 120.300 0.131 0.000 2.346 146 Y HA 0.118 4.666 4.550 -0.003 0.000 0.330 146 Y C 0.967 176.871 175.900 0.007 0.000 1.178 146 Y CA 0.425 58.566 58.100 0.068 0.000 1.331 146 Y CB 0.854 39.351 38.460 0.062 0.000 1.253 146 Y HN 0.737 nan 8.280 nan 0.000 0.529 147 N N 0.780 119.554 118.700 0.124 0.000 2.348 147 N HA 0.051 4.790 4.740 -0.003 0.000 0.183 147 N C -0.119 175.456 175.510 0.107 0.000 1.094 147 N CA 0.510 53.609 53.050 0.082 0.000 0.885 147 N CB 0.646 39.154 38.487 0.035 0.000 1.065 147 N HN 0.400 nan 8.380 nan 0.000 0.472 148 V N -1.638 118.369 119.914 0.155 0.000 3.229 148 V HA 0.544 4.662 4.120 -0.003 0.000 0.310 148 V C 0.058 176.259 176.094 0.179 0.000 1.206 148 V CA -1.075 61.325 62.300 0.166 0.000 1.051 148 V CB 1.049 32.968 31.823 0.161 0.000 1.183 148 V HN -0.146 nan 8.190 nan 0.000 0.466 149 L N 1.997 123.348 121.223 0.213 0.000 2.361 149 L HA 0.425 4.764 4.340 -0.003 0.000 0.278 149 L C -2.340 174.644 176.870 0.190 0.000 1.113 149 L CA -1.351 53.569 54.840 0.132 0.000 0.849 149 L CB 0.666 42.775 42.059 0.082 0.000 1.155 149 L HN 0.472 nan 8.230 nan 0.000 0.452 150 P HA 0.081 nan 4.420 nan 0.000 0.280 150 P C -0.784 176.619 177.300 0.172 0.000 1.244 150 P CA -0.521 62.489 63.100 -0.150 0.000 0.784 150 P CB 0.544 31.797 31.700 -0.746 0.000 0.913 151 Q N 1.965 121.998 119.800 0.387 0.000 2.263 151 Q HA 0.180 4.518 4.340 -0.003 0.000 0.289 151 Q C 1.474 177.653 176.000 0.299 0.000 1.061 151 Q CA 1.632 57.630 55.803 0.325 0.000 0.927 151 Q CB 0.015 28.863 28.738 0.183 0.000 1.154 151 Q HN 0.924 nan 8.270 nan 0.000 0.378 152 G N 2.580 111.529 108.800 0.248 0.000 2.258 152 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.233 152 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.233 152 G C -0.231 174.831 174.900 0.270 0.000 1.006 152 G CA -0.031 45.231 45.100 0.271 0.000 0.620 152 G HN 0.606 nan 8.290 nan 0.000 0.511 153 W N 2.287 123.499 121.300 -0.147 0.000 2.126 153 W HA 0.569 5.228 4.660 -0.003 0.000 0.346 153 W C 1.505 177.893 176.519 -0.218 0.000 1.279 153 W CA 0.216 57.341 57.345 -0.366 0.000 1.259 153 W CB 0.824 29.871 29.460 -0.688 0.000 1.133 153 W HN 0.094 nan 8.180 nan 0.000 0.592 154 K N 1.821 121.703 120.400 -0.862 0.000 2.228 154 K HA -0.007 4.312 4.320 -0.003 0.000 0.202 154 K C 1.561 177.563 176.600 -0.997 0.000 1.051 154 K CA 1.487 57.343 56.287 -0.717 0.000 0.960 154 K CB -0.455 31.759 32.500 -0.476 0.000 0.743 154 K HN 0.683 nan 8.250 nan 0.000 0.458 155 G N -0.369 107.266 108.800 -1.941 0.000 3.042 155 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.212 155 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.212 155 G C 1.072 175.254 174.900 -1.196 0.000 1.166 155 G CA -0.128 43.726 45.100 -2.077 0.000 0.767 155 G HN 0.190 nan 8.290 nan 0.000 0.546 156 S N 1.558 116.789 115.700 -0.782 0.000 2.357 156 S HA -0.026 4.443 4.470 -0.003 0.000 0.221 156 S C 0.162 174.378 174.600 -0.639 0.000 1.031 156 S CA 1.160 58.982 58.200 -0.631 0.000 0.982 156 S CB -0.462 62.254 63.200 -0.806 0.000 0.853 156 S HN 0.333 nan 8.310 nan 0.000 0.458 157 P HA 0.005 nan 4.420 nan 0.000 0.220 157 P C 1.067 178.299 177.300 -0.112 0.000 1.148 157 P CA 1.221 64.234 63.100 -0.145 0.000 0.803 157 P CB -0.050 31.605 31.700 -0.076 0.000 0.782 158 A N 0.113 122.763 122.820 -0.284 0.000 1.874 158 A HA -0.042 4.276 4.320 -0.003 0.000 0.214 158 A C 2.343 179.823 177.584 -0.175 0.000 1.189 158 A CA 0.921 52.819 52.037 -0.231 0.000 0.615 158 A CB -1.263 17.526 19.000 -0.352 0.000 0.830 158 A HN 0.051 nan 8.150 nan 0.000 0.443 159 I N -1.563 118.844 120.570 -0.272 0.000 2.315 159 I HA -0.193 3.976 4.170 -0.003 0.000 0.248 159 I C 2.381 178.459 176.117 -0.066 0.000 1.117 159 I CA 1.359 62.564 61.300 -0.158 0.000 1.404 159 I CB -0.514 37.386 38.000 -0.166 0.000 1.071 159 I HN 0.431 nan 8.210 nan 0.000 0.419 160 F N 2.264 122.136 119.950 -0.130 0.000 2.043 160 F HA -0.304 4.221 4.527 -0.003 0.000 0.297 160 F C 2.762 178.542 175.800 -0.033 0.000 1.121 160 F CA 1.851 59.833 58.000 -0.030 0.000 1.199 160 F CB -0.322 38.725 39.000 0.079 0.000 0.968 160 F HN 0.016 nan 8.300 nan 0.000 0.478 161 Q N 0.421 120.255 119.800 0.057 0.000 2.096 161 Q HA -0.192 4.146 4.340 -0.003 0.000 0.204 161 Q C 2.625 178.544 176.000 -0.135 0.000 0.982 161 Q CA 2.021 57.809 55.803 -0.026 0.000 0.850 161 Q CB -1.165 27.602 28.738 0.048 0.000 0.901 161 Q HN 0.616 nan 8.270 nan 0.000 0.422 162 S N -0.369 115.273 115.700 -0.098 0.000 2.382 162 S HA -0.089 4.379 4.470 -0.003 0.000 0.228 162 S C 2.195 176.700 174.600 -0.158 0.000 1.027 162 S CA 1.385 59.532 58.200 -0.087 0.000 0.991 162 S CB -0.220 62.956 63.200 -0.040 0.000 0.823 162 S HN 0.177 nan 8.310 nan 0.000 0.469 163 S N 1.840 117.403 115.700 -0.229 0.000 2.355 163 S HA -0.017 4.452 4.470 -0.003 0.000 0.222 163 S C 1.833 176.224 174.600 -0.348 0.000 1.031 163 S CA 1.569 59.605 58.200 -0.274 0.000 0.993 163 S CB -0.543 62.485 63.200 -0.288 0.000 0.859 163 S HN 0.596 nan 8.310 nan 0.000 0.453 164 M N 1.834 121.142 119.600 -0.487 0.000 2.267 164 M HA -0.081 4.397 4.480 -0.003 0.000 0.263 164 M C 1.712 177.863 176.300 -0.248 0.000 1.063 164 M CA 1.568 56.620 55.300 -0.412 0.000 1.090 164 M CB -1.046 31.274 32.600 -0.468 0.000 1.392 164 M HN 0.149 nan 8.290 nan 0.000 0.422 165 T N 0.042 114.475 114.554 -0.202 0.000 2.894 165 T HA -0.007 4.341 4.350 -0.003 0.000 0.258 165 T C 1.774 176.394 174.700 -0.133 0.000 1.043 165 T CA 1.068 63.093 62.100 -0.126 0.000 1.141 165 T CB -0.013 68.809 68.868 -0.077 0.000 0.873 165 T HN 0.414 nan 8.240 nan 0.000 0.449 166 K N 0.817 121.115 120.400 -0.170 0.000 2.057 166 K HA -0.022 4.296 4.320 -0.003 0.000 0.207 166 K C 2.143 178.570 176.600 -0.288 0.000 1.049 166 K CA 0.971 57.140 56.287 -0.196 0.000 0.931 166 K CB -0.218 32.160 32.500 -0.205 0.000 0.714 166 K HN 0.227 nan 8.250 nan 0.000 0.440 167 I N 1.410 121.756 120.570 -0.374 0.000 2.208 167 I HA -0.253 3.916 4.170 -0.003 0.000 0.245 167 I C 2.251 178.256 176.117 -0.186 0.000 1.097 167 I CA 1.501 62.499 61.300 -0.503 0.000 1.363 167 I CB -0.960 36.765 38.000 -0.457 0.000 1.051 167 I HN 0.178 nan 8.210 nan 0.000 0.413 168 L N 0.158 121.318 121.223 -0.105 0.000 2.217 168 L HA -0.142 4.196 4.340 -0.003 0.000 0.211 168 L C 2.497 179.400 176.870 0.055 0.000 1.107 168 L CA 0.675 55.522 54.840 0.012 0.000 0.783 168 L CB -0.446 41.597 42.059 -0.027 0.000 0.919 168 L HN 0.332 nan 8.230 nan 0.000 0.442 169 E N 1.115 121.310 120.200 -0.008 0.000 2.086 169 E HA -0.266 4.082 4.350 -0.003 0.000 0.205 169 E C -0.619 175.992 176.600 0.018 0.000 1.027 169 E CA 2.038 58.437 56.400 -0.002 0.000 0.830 169 E CB -0.724 28.954 29.700 -0.038 0.000 0.751 169 E HN 0.308 nan 8.360 nan 0.000 0.456 170 P HA -0.107 nan 4.420 nan 0.000 0.218 170 P C 1.058 178.332 177.300 -0.045 0.000 1.149 170 P CA 0.990 64.089 63.100 -0.001 0.000 0.817 170 P CB -0.213 31.512 31.700 0.042 0.000 0.785 171 F N 0.175 119.996 119.950 -0.216 0.000 2.367 171 F HA 0.042 4.567 4.527 -0.004 0.000 0.298 171 F C 2.092 177.829 175.800 -0.106 0.000 1.094 171 F CA 0.890 58.752 58.000 -0.231 0.000 1.409 171 F CB -0.069 38.766 39.000 -0.277 0.000 1.064 171 F HN -0.295 nan 8.300 nan 0.000 0.528 172 R N 0.134 120.703 120.500 0.116 0.000 2.090 172 R HA -0.099 4.239 4.340 -0.003 0.000 0.228 172 R C 2.261 178.538 176.300 -0.039 0.000 1.110 172 R CA 1.117 57.254 56.100 0.061 0.000 0.973 172 R CB -0.252 30.094 30.300 0.077 0.000 0.869 172 R HN 0.216 nan 8.270 nan 0.000 0.440 173 K N 0.838 121.208 120.400 -0.049 0.000 2.097 173 K HA -0.160 4.159 4.320 -0.003 0.000 0.205 173 K C 1.844 178.382 176.600 -0.104 0.000 1.050 173 K CA 1.379 57.631 56.287 -0.059 0.000 0.938 173 K CB 0.190 32.664 32.500 -0.043 0.000 0.718 173 K HN 0.178 nan 8.250 nan 0.000 0.442 174 Q N -0.443 119.252 119.800 -0.176 0.000 2.398 174 Q HA 0.046 4.384 4.340 -0.003 0.000 0.204 174 Q C -0.108 175.722 176.000 -0.284 0.000 0.932 174 Q CA 0.476 56.147 55.803 -0.220 0.000 0.916 174 Q CB 0.472 29.054 28.738 -0.261 0.000 1.024 174 Q HN 0.277 nan 8.270 nan 0.000 0.504 175 N N 0.999 119.494 118.700 -0.342 0.000 2.757 175 N HA 0.129 4.868 4.740 -0.003 0.000 0.296 175 N C -2.281 173.151 175.510 -0.130 0.000 1.874 175 N CA -0.837 52.026 53.050 -0.312 0.000 0.885 175 N CB 1.206 39.331 38.487 -0.604 0.000 1.242 175 N HN 0.110 nan 8.380 nan 0.000 0.488 176 P HA -0.069 nan 4.420 nan 0.000 0.221 176 P C 0.490 177.788 177.300 -0.004 0.000 1.150 176 P CA 1.072 64.155 63.100 -0.028 0.000 0.800 176 P CB 0.435 32.119 31.700 -0.027 0.000 0.787 177 D N -0.124 120.268 120.400 -0.013 0.000 2.309 177 D HA -0.025 4.613 4.640 -0.003 0.000 0.212 177 D C 0.866 177.189 176.300 0.039 0.000 0.968 177 D CA 0.847 54.853 54.000 0.010 0.000 0.882 177 D CB -0.351 40.452 40.800 0.005 0.000 0.918 177 D HN 0.288 nan 8.370 nan 0.000 0.503 178 I N 0.411 121.009 120.570 0.047 0.000 2.392 178 I HA 0.177 4.346 4.170 -0.003 0.000 0.295 178 I C -0.364 175.819 176.117 0.109 0.000 0.985 178 I CA -0.799 60.560 61.300 0.100 0.000 1.221 178 I CB 2.244 40.330 38.000 0.143 0.000 1.366 178 I HN -0.372 nan 8.210 nan 0.000 0.467 179 V N 7.437 127.420 119.914 0.116 0.000 2.394 179 V HA 0.444 4.562 4.120 -0.003 0.000 0.282 179 V C -0.013 176.158 176.094 0.129 0.000 1.031 179 V CA -0.402 61.964 62.300 0.110 0.000 0.881 179 V CB 1.655 33.529 31.823 0.085 0.000 0.982 179 V HN 0.455 nan 8.190 nan 0.000 0.451 180 I N 5.302 125.949 120.570 0.129 0.000 2.418 180 I HA 0.359 4.528 4.170 -0.003 0.000 0.287 180 I C -1.273 174.941 176.117 0.161 0.000 1.008 180 I CA -0.753 60.617 61.300 0.117 0.000 1.104 180 I CB 1.720 39.763 38.000 0.072 0.000 1.264 180 I HN 0.611 nan 8.210 nan 0.000 0.438 181 Y N 6.459 126.796 120.300 0.062 0.000 2.328 181 Y HA 0.404 4.952 4.550 -0.003 0.000 0.337 181 Y C -0.500 175.462 175.900 0.103 0.000 1.008 181 Y CA -0.730 57.418 58.100 0.080 0.000 1.129 181 Y CB 1.092 39.587 38.460 0.059 0.000 1.185 181 Y HN 0.482 nan 8.280 nan 0.000 0.476 182 Q N 6.148 125.646 119.800 -0.504 0.000 2.322 182 Q HA 0.247 4.586 4.340 -0.003 0.000 0.256 182 Q C -1.856 173.698 176.000 -0.743 0.000 0.960 182 Q CA -0.465 55.053 55.803 -0.476 0.000 0.934 182 Q CB 1.501 30.125 28.738 -0.190 0.000 1.200 182 Q HN 0.725 nan 8.270 nan 0.000 0.435 183 Y N 4.586 124.513 120.300 -0.622 0.000 2.322 183 Y HA 0.290 4.839 4.550 -0.002 0.000 0.324 183 Y C 0.001 175.878 175.900 -0.038 0.000 1.027 183 Y CA -0.487 57.468 58.100 -0.241 0.000 1.179 183 Y CB 0.609 39.104 38.460 0.058 0.000 1.136 183 Y HN 0.814 nan 8.280 nan 0.000 0.449 184 M N 1.449 120.797 119.600 -0.420 0.000 7.319 184 M HA -0.371 4.108 4.480 -0.003 0.000 0.213 184 M C 0.506 176.735 176.300 -0.118 0.000 0.480 184 M CA 2.156 57.269 55.300 -0.311 0.000 1.311 184 M CB -0.844 31.518 32.600 -0.396 0.000 0.421 184 M HN 0.786 nan 8.290 nan 0.000 0.606 185 D N -0.077 120.197 120.400 -0.210 0.000 2.328 185 D HA 0.206 4.844 4.640 -0.003 0.000 0.221 185 D C -0.259 175.988 176.300 -0.089 0.000 1.072 185 D CA 0.307 54.204 54.000 -0.171 0.000 0.850 185 D CB -0.267 40.271 40.800 -0.437 0.000 0.922 185 D HN 0.292 nan 8.370 nan 0.000 0.516 186 D N 0.133 120.464 120.400 -0.115 0.000 2.312 186 D HA 0.470 5.109 4.640 -0.003 0.000 0.248 186 D C -0.219 175.831 176.300 -0.416 0.000 1.086 186 D CA -0.287 53.548 54.000 -0.276 0.000 0.948 186 D CB 1.378 41.996 40.800 -0.304 0.000 1.162 186 D HN 0.043 nan 8.370 nan 0.000 0.446 187 L N 1.535 122.397 121.223 -0.601 0.000 2.410 187 L HA 0.402 4.741 4.340 -0.003 0.000 0.270 187 L C -1.272 175.154 176.870 -0.740 0.000 0.983 187 L CA -0.873 53.651 54.840 -0.527 0.000 0.822 187 L CB 1.326 43.221 42.059 -0.274 0.000 1.285 187 L HN 0.333 nan 8.230 nan 0.000 0.409 188 Y N 2.290 122.538 120.300 -0.087 0.000 2.364 188 Y HA 0.653 5.201 4.550 -0.003 0.000 0.340 188 Y C -0.251 175.645 175.900 -0.007 0.000 0.975 188 Y CA -1.044 57.011 58.100 -0.075 0.000 1.089 188 Y CB 2.181 40.591 38.460 -0.084 0.000 1.192 188 Y HN 0.102 nan 8.280 nan 0.000 0.454 189 V N 2.375 122.372 119.914 0.138 0.000 2.577 189 V HA 0.886 5.004 4.120 -0.003 0.000 0.303 189 V C -0.108 176.108 176.094 0.204 0.000 1.042 189 V CA -0.732 61.647 62.300 0.132 0.000 0.872 189 V CB 1.641 33.504 31.823 0.066 0.000 0.998 189 V HN 0.946 nan 8.190 nan 0.000 0.423 190 G N 2.313 111.229 108.800 0.193 0.000 2.659 190 G HA2 0.844 4.803 3.960 -0.003 0.000 0.296 190 G HA3 0.844 4.803 3.960 -0.003 0.000 0.296 190 G C -0.795 174.215 174.900 0.184 0.000 1.369 190 G CA -0.010 45.203 45.100 0.188 0.000 0.937 190 G HN 1.085 nan 8.290 nan 0.000 0.485 191 S N -0.678 115.116 115.700 0.157 0.000 2.752 191 S HA 0.623 5.091 4.470 -0.003 0.000 0.284 191 S C -1.488 173.134 174.600 0.038 0.000 1.189 191 S CA -0.773 57.503 58.200 0.126 0.000 0.835 191 S CB 2.339 65.676 63.200 0.229 0.000 1.192 191 S HN 0.292 nan 8.310 nan 0.000 0.506 192 D N 1.051 121.475 120.400 0.040 0.000 3.008 192 D HA 0.428 5.066 4.640 -0.003 0.000 0.312 192 D C -0.122 176.190 176.300 0.021 0.000 1.361 192 D CA -0.031 53.975 54.000 0.009 0.000 0.858 192 D CB 0.083 40.887 40.800 0.007 0.000 1.098 192 D HN 0.427 nan 8.370 nan 0.000 0.482 193 L N -0.343 120.908 121.223 0.046 0.000 2.397 193 L HA 0.494 4.833 4.340 -0.003 0.000 0.266 193 L C 0.585 177.473 176.870 0.030 0.000 1.040 193 L CA -1.064 53.810 54.840 0.058 0.000 0.800 193 L CB 0.673 42.801 42.059 0.116 0.000 1.324 193 L HN -0.235 nan 8.230 nan 0.000 0.469 194 E N -0.531 119.695 120.200 0.044 0.000 2.250 194 E HA 0.303 4.651 4.350 -0.003 0.000 0.265 194 E C 0.853 177.489 176.600 0.060 0.000 1.033 194 E CA -0.568 55.850 56.400 0.029 0.000 0.888 194 E CB 1.404 31.119 29.700 0.026 0.000 1.151 194 E HN 0.376 nan 8.360 nan 0.000 0.412 195 I N 1.388 121.984 120.570 0.044 0.000 2.367 195 I HA -0.316 3.853 4.170 -0.003 0.000 0.256 195 I C 1.745 177.919 176.117 0.095 0.000 1.132 195 I CA 1.577 62.922 61.300 0.074 0.000 1.397 195 I CB -0.535 37.493 38.000 0.048 0.000 1.074 195 I HN 0.733 nan 8.210 nan 0.000 0.435 196 G N 0.193 109.036 108.800 0.071 0.000 2.705 196 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.214 196 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.214 196 G C 1.319 176.268 174.900 0.081 0.000 1.321 196 G CA 0.307 45.445 45.100 0.064 0.000 0.826 196 G HN 0.385 nan 8.290 nan 0.000 0.595 197 Q N -0.564 119.284 119.800 0.080 0.000 2.443 197 Q HA -0.116 4.222 4.340 -0.003 0.000 0.213 197 Q C 2.095 178.161 176.000 0.110 0.000 0.982 197 Q CA 1.143 56.992 55.803 0.078 0.000 0.894 197 Q CB -0.106 28.671 28.738 0.065 0.000 0.947 197 Q HN 0.729 nan 8.270 nan 0.000 0.480 198 H N 0.935 120.029 119.070 0.040 0.000 2.266 198 H HA 0.044 4.601 4.556 0.002 0.000 0.308 198 H C 1.890 177.251 175.328 0.056 0.000 1.057 198 H CA 1.479 57.557 56.048 0.051 0.000 1.330 198 H CB 0.214 30.006 29.762 0.049 0.000 1.400 198 H HN -0.018 nan 8.280 nan 0.000 0.503 199 R N -0.525 120.033 120.500 0.096 0.000 2.153 199 R HA -0.169 4.170 4.340 -0.003 0.000 0.252 199 R C 2.219 178.513 176.300 -0.010 0.000 1.158 199 R CA 1.889 58.004 56.100 0.024 0.000 0.975 199 R CB -0.598 29.742 30.300 0.066 0.000 0.871 199 R HN 0.408 nan 8.270 nan 0.000 0.450 200 T N 0.974 115.538 114.554 0.016 0.000 2.674 200 T HA -0.109 4.240 4.350 -0.003 0.000 0.265 200 T C 1.733 176.443 174.700 0.017 0.000 1.039 200 T CA 1.043 63.155 62.100 0.020 0.000 1.150 200 T CB -0.024 68.864 68.868 0.032 0.000 0.864 200 T HN 0.115 nan 8.240 nan 0.000 0.427 201 K N 0.614 121.015 120.400 0.001 0.000 2.211 201 K HA 0.061 4.379 4.320 -0.003 0.000 0.203 201 K C 2.166 178.789 176.600 0.038 0.000 1.050 201 K CA 0.488 56.803 56.287 0.047 0.000 0.945 201 K CB -0.369 32.154 32.500 0.038 0.000 0.732 201 K HN 0.304 nan 8.250 nan 0.000 0.451 202 I N 1.737 122.244 120.570 -0.105 0.000 2.110 202 I HA -0.228 3.940 4.170 -0.003 0.000 0.236 202 I C 2.062 178.147 176.117 -0.054 0.000 1.068 202 I CA 1.332 62.560 61.300 -0.120 0.000 1.333 202 I CB -1.119 36.787 38.000 -0.157 0.000 1.054 202 I HN 0.128 nan 8.210 nan 0.000 0.402 203 E N 0.566 120.753 120.200 -0.023 0.000 2.130 203 E HA -0.279 4.069 4.350 -0.003 0.000 0.196 203 E C 2.006 178.623 176.600 0.028 0.000 0.998 203 E CA 1.228 57.629 56.400 0.001 0.000 0.806 203 E CB -0.419 29.288 29.700 0.011 0.000 0.738 203 E HN 0.588 nan 8.360 nan 0.000 0.459 204 E N 0.483 120.722 120.200 0.065 0.000 2.085 204 E HA -0.166 4.182 4.350 -0.003 0.000 0.194 204 E C 2.108 178.794 176.600 0.143 0.000 0.994 204 E CA 0.649 57.133 56.400 0.140 0.000 0.801 204 E CB -0.046 29.774 29.700 0.201 0.000 0.743 204 E HN 0.151 nan 8.360 nan 0.000 0.453 205 L N 0.893 122.110 121.223 -0.009 0.000 2.027 205 L HA -0.139 4.199 4.340 -0.003 0.000 0.206 205 L C 2.340 179.092 176.870 -0.196 0.000 1.074 205 L CA 1.612 56.193 54.840 -0.431 0.000 0.745 205 L CB -0.513 41.186 42.059 -0.601 0.000 0.898 205 L HN 0.177 nan 8.230 nan 0.000 0.433 206 R N -0.610 119.830 120.500 -0.099 0.000 2.083 206 R HA -0.200 4.139 4.340 -0.003 0.000 0.237 206 R C 2.203 178.505 176.300 0.002 0.000 1.137 206 R CA 1.458 57.530 56.100 -0.048 0.000 0.951 206 R CB -0.317 29.966 30.300 -0.029 0.000 0.851 206 R HN 0.463 nan 8.270 nan 0.000 0.434 207 Q N -0.303 119.518 119.800 0.035 0.000 2.181 207 Q HA -0.202 4.136 4.340 -0.003 0.000 0.205 207 Q C 1.937 178.000 176.000 0.105 0.000 0.980 207 Q CA 1.593 57.432 55.803 0.060 0.000 0.862 207 Q CB -0.274 28.508 28.738 0.073 0.000 0.905 207 Q HN 0.492 nan 8.270 nan 0.000 0.429 208 H N 0.063 119.161 119.070 0.048 0.000 2.326 208 H HA -0.069 4.486 4.556 -0.002 0.000 0.301 208 H C 1.704 177.134 175.328 0.170 0.000 1.081 208 H CA 1.032 57.157 56.048 0.130 0.000 1.334 208 H CB -0.046 29.789 29.762 0.121 0.000 1.385 208 H HN 0.052 nan 8.280 nan 0.000 0.504 209 L N -0.033 121.197 121.223 0.012 0.000 2.042 209 L HA -0.139 4.199 4.340 -0.003 0.000 0.210 209 L C 2.386 179.265 176.870 0.014 0.000 1.076 209 L CA 1.218 56.046 54.840 -0.021 0.000 0.749 209 L CB -1.199 40.838 42.059 -0.037 0.000 0.893 209 L HN 0.365 nan 8.230 nan 0.000 0.432 210 L N -0.546 120.680 121.223 0.004 0.000 2.056 210 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 210 L C 2.651 179.489 176.870 -0.054 0.000 1.078 210 L CA 1.479 56.315 54.840 -0.007 0.000 0.749 210 L CB -0.556 41.501 42.059 -0.004 0.000 0.901 210 L HN 0.197 nan 8.230 nan 0.000 0.433 211 R N -1.831 118.607 120.500 -0.104 0.000 2.211 211 R HA -0.221 4.117 4.340 -0.003 0.000 0.240 211 R C 1.221 177.259 176.300 -0.437 0.000 1.144 211 R CA 1.900 57.833 56.100 -0.278 0.000 0.992 211 R CB -0.462 29.625 30.300 -0.353 0.000 0.869 211 R HN 0.452 nan 8.270 nan 0.000 0.462 212 W N -0.662 120.550 121.300 -0.146 0.000 3.123 212 W HA 0.256 4.914 4.660 -0.003 0.000 0.383 212 W C 0.818 177.288 176.519 -0.082 0.000 1.102 212 W CA 0.360 57.622 57.345 -0.138 0.000 1.865 212 W CB 0.991 30.312 29.460 -0.231 0.000 1.111 212 W HN 0.235 nan 8.180 nan 0.000 0.621 213 G N 0.785 109.632 108.800 0.077 0.000 2.141 213 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.231 213 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.231 213 G C -0.310 174.641 174.900 0.086 0.000 0.984 213 G CA -0.415 44.728 45.100 0.071 0.000 0.660 213 G HN 0.132 nan 8.290 nan 0.000 0.525 214 L N 2.463 123.731 121.223 0.075 0.000 2.295 214 L HA 0.505 4.843 4.340 -0.003 0.000 0.281 214 L C 1.009 177.904 176.870 0.041 0.000 1.018 214 L CA -0.377 54.504 54.840 0.068 0.000 0.841 214 L CB 1.425 43.516 42.059 0.053 0.000 1.218 214 L HN 0.332 nan 8.230 nan 0.000 0.424 215 T N -0.408 114.172 114.554 0.044 0.000 2.904 215 T HA 0.649 4.998 4.350 -0.003 0.000 0.290 215 T C 0.213 174.923 174.700 0.018 0.000 1.018 215 T CA -0.464 61.653 62.100 0.029 0.000 1.075 215 T CB 1.627 70.515 68.868 0.033 0.000 0.986 215 T HN 0.644 nan 8.240 nan 0.000 0.523 216 T N -0.943 113.618 114.554 0.012 0.000 2.868 216 T HA 0.622 4.970 4.350 -0.003 0.000 0.306 216 T C -3.259 171.454 174.700 0.021 0.000 1.224 216 T CA -1.709 60.392 62.100 0.001 0.000 1.012 216 T CB 0.748 69.605 68.868 -0.020 0.000 1.221 216 T HN 0.465 nan 8.240 nan 0.000 0.499 217 P HA 0.212 nan 4.420 nan 0.000 0.268 217 P C -0.261 177.073 177.300 0.057 0.000 1.204 217 P CA -0.159 62.987 63.100 0.076 0.000 0.768 217 P CB 0.335 32.079 31.700 0.074 0.000 0.842 218 D N 2.686 123.129 120.400 0.072 0.000 2.354 218 D HA 0.041 4.680 4.640 -0.003 0.000 0.247 218 D C 0.794 177.072 176.300 -0.037 0.000 1.138 218 D CA -0.508 53.493 54.000 0.002 0.000 0.958 218 D CB 1.018 41.805 40.800 -0.023 0.000 1.144 218 D HN 0.149 nan 8.370 nan 0.000 0.458 219 K N 0.039 120.416 120.400 -0.037 0.000 2.448 219 K HA -0.220 4.099 4.320 -0.003 0.000 0.200 219 K C 1.487 178.049 176.600 -0.063 0.000 1.045 219 K CA 1.077 57.347 56.287 -0.028 0.000 0.933 219 K CB -0.169 32.322 32.500 -0.016 0.000 0.755 219 K HN 0.535 nan 8.250 nan 0.000 0.481 220 K N -0.525 119.768 120.400 -0.177 0.000 2.367 220 K HA -0.003 4.316 4.320 -0.003 0.000 0.195 220 K C 0.871 177.297 176.600 -0.291 0.000 1.060 220 K CA 0.200 56.328 56.287 -0.264 0.000 1.022 220 K CB 0.410 32.677 32.500 -0.388 0.000 0.894 220 K HN 0.107 nan 8.250 nan 0.000 0.540 221 H N 0.355 119.443 119.070 0.030 0.000 2.755 221 H HA 0.167 4.721 4.556 -0.002 0.000 0.273 221 H C -0.265 175.084 175.328 0.034 0.000 1.055 221 H CA -0.125 55.941 56.048 0.029 0.000 1.191 221 H CB 0.333 30.106 29.762 0.019 0.000 1.536 221 H HN 0.190 nan 8.280 nan 0.000 0.529 222 Q N 2.107 121.973 119.800 0.109 0.000 2.255 222 Q HA 0.064 4.402 4.340 -0.003 0.000 0.280 222 Q C 0.205 176.279 176.000 0.124 0.000 1.068 222 Q CA 0.417 56.275 55.803 0.093 0.000 0.911 222 Q CB 1.130 29.912 28.738 0.074 0.000 1.157 222 Q HN 0.193 nan 8.270 nan 0.000 0.380 223 K N 1.992 122.472 120.400 0.134 0.000 2.344 223 K HA 0.056 4.374 4.320 -0.003 0.000 0.260 223 K C 0.031 176.810 176.600 0.298 0.000 0.988 223 K CA 0.055 56.457 56.287 0.192 0.000 0.909 223 K CB 0.452 33.068 32.500 0.193 0.000 0.968 223 K HN 0.441 nan 8.250 nan 0.000 0.505 224 E N 1.061 121.435 120.200 0.289 0.000 2.244 224 E HA 0.340 4.688 4.350 -0.003 0.000 0.266 224 E C -2.467 174.186 176.600 0.088 0.000 0.914 224 E CA -2.458 54.083 56.400 0.235 0.000 0.794 224 E CB 1.212 30.974 29.700 0.104 0.000 1.210 224 E HN 0.295 nan 8.360 nan 0.000 0.414 225 P HA 0.143 nan 4.420 nan 0.000 0.268 225 P C -2.227 174.877 177.300 -0.327 0.000 1.205 225 P CA -0.812 61.858 63.100 -0.717 0.000 0.771 225 P CB -0.336 30.953 31.700 -0.685 0.000 0.858 226 P HA 0.213 nan 4.420 nan 0.000 0.275 226 P C -0.964 176.152 177.300 -0.307 0.000 1.227 226 P CA -0.002 62.763 63.100 -0.559 0.000 0.781 226 P CB 0.356 31.615 31.700 -0.735 0.000 0.906 227 F N 1.643 121.561 119.950 -0.053 0.000 2.385 227 F HA 0.352 4.878 4.527 -0.001 0.000 0.336 227 F C 0.559 176.412 175.800 0.088 0.000 1.100 227 F CA -0.756 57.263 58.000 0.031 0.000 1.116 227 F CB 0.318 39.328 39.000 0.016 0.000 1.166 227 F HN 0.044 nan 8.300 nan 0.000 0.511 228 L N 2.057 123.485 121.223 0.341 0.000 2.334 228 L HA 0.623 4.961 4.340 -0.003 0.000 0.273 228 L C -1.193 175.905 176.870 0.381 0.000 1.013 228 L CA -0.771 54.254 54.840 0.309 0.000 0.816 228 L CB 1.730 43.917 42.059 0.213 0.000 1.278 228 L HN 0.746 nan 8.230 nan 0.000 0.431 229 W N 3.934 125.316 121.300 0.136 0.000 3.700 229 W HA 0.359 5.019 4.660 -0.001 0.000 0.279 229 W C -0.713 175.893 176.519 0.146 0.000 1.270 229 W CA -0.851 56.536 57.345 0.070 0.000 1.216 229 W CB 0.766 30.195 29.460 -0.053 0.000 1.292 229 W HN 0.374 nan 8.180 nan 0.000 0.557 230 M N 4.354 123.502 119.600 -0.754 0.000 2.276 230 M HA -0.194 4.285 4.480 -0.003 0.000 0.196 230 M C 1.191 177.267 176.300 -0.374 0.000 0.355 230 M CA 2.274 57.104 55.300 -0.782 0.000 0.399 230 M CB -2.316 29.352 32.600 -1.555 0.000 1.272 230 M HN 1.680 nan 8.290 nan 0.000 0.906 231 G N -1.479 107.192 108.800 -0.214 0.000 2.132 231 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.228 231 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.228 231 G C -0.360 174.546 174.900 0.011 0.000 1.000 231 G CA 0.291 45.264 45.100 -0.212 0.000 0.693 231 G HN 0.572 nan 8.290 nan 0.000 0.515 232 Y N -0.861 119.595 120.300 0.260 0.000 2.662 232 Y HA 0.717 5.266 4.550 -0.002 0.000 0.335 232 Y C 0.445 176.545 175.900 0.334 0.000 1.066 232 Y CA -1.090 57.225 58.100 0.359 0.000 1.116 232 Y CB 1.608 40.272 38.460 0.339 0.000 1.308 232 Y HN 0.077 nan 8.280 nan 0.000 0.502 233 E N 1.938 122.482 120.200 0.574 0.000 2.518 233 E HA 0.375 4.724 4.350 -0.003 0.000 0.240 233 E C -1.898 174.969 176.600 0.445 0.000 0.996 233 E CA -0.236 56.410 56.400 0.411 0.000 0.768 233 E CB 0.388 30.316 29.700 0.380 0.000 1.329 233 E HN 0.562 nan 8.360 nan 0.000 0.408 234 L N 4.706 126.134 121.223 0.341 0.000 2.319 234 L HA 0.394 4.732 4.340 -0.003 0.000 0.280 234 L C 0.555 177.486 176.870 0.102 0.000 1.099 234 L CA -0.308 54.744 54.840 0.354 0.000 0.828 234 L CB 0.498 42.746 42.059 0.314 0.000 1.150 234 L HN 0.469 nan 8.230 nan 0.000 0.442 235 H N 2.688 121.877 119.070 0.198 0.000 2.754 235 H HA 0.262 4.815 4.556 -0.004 0.000 0.352 235 H C -1.665 173.747 175.328 0.140 0.000 1.213 235 H CA -1.800 54.287 56.048 0.065 0.000 1.244 235 H CB 1.792 31.567 29.762 0.022 0.000 1.843 235 H HN 0.307 nan 8.280 nan 0.000 0.587 236 P HA -0.164 nan 4.420 nan 0.000 0.216 236 P C 0.186 177.645 177.300 0.264 0.000 1.153 236 P CA 1.822 64.999 63.100 0.128 0.000 0.858 236 P CB 0.176 31.907 31.700 0.053 0.000 0.789 237 D N -3.267 117.309 120.400 0.294 0.000 2.636 237 D HA 0.103 4.742 4.640 -0.003 0.000 0.270 237 D C 0.128 176.510 176.300 0.137 0.000 1.430 237 D CA -0.405 53.815 54.000 0.368 0.000 0.796 237 D CB -0.045 40.868 40.800 0.187 0.000 1.117 237 D HN 0.224 nan 8.370 nan 0.000 0.480 238 K N -0.733 119.696 120.400 0.048 0.000 2.466 238 K HA 0.702 5.020 4.320 -0.003 0.000 0.277 238 K C -1.238 175.338 176.600 -0.040 0.000 1.039 238 K CA -1.179 54.971 56.287 -0.228 0.000 0.904 238 K CB 2.026 34.316 32.500 -0.349 0.000 1.506 238 K HN 0.172 nan 8.250 nan 0.000 0.441 239 W N -0.348 120.850 121.300 -0.170 0.000 3.248 239 W HA 0.627 5.284 4.660 -0.005 0.000 0.311 239 W C -1.986 174.594 176.519 0.103 0.000 1.258 239 W CA -0.742 56.633 57.345 0.050 0.000 1.191 239 W CB 1.416 30.882 29.460 0.010 0.000 1.389 239 W HN 0.786 nan 8.180 nan 0.000 0.561 240 T N 0.649 115.392 114.554 0.316 0.000 2.769 240 T HA 0.480 4.828 4.350 -0.003 0.000 0.306 240 T C -0.663 174.337 174.700 0.501 0.000 1.400 240 T CA -0.183 61.944 62.100 0.044 0.000 1.007 240 T CB 1.160 70.011 68.868 -0.028 0.000 1.392 240 T HN 1.015 nan 8.240 nan 0.000 0.500 241 V N 1.410 121.555 119.914 0.385 0.000 2.924 241 V HA 0.525 4.643 4.120 -0.003 0.000 0.305 241 V C 0.401 176.699 176.094 0.340 0.000 1.073 241 V CA -0.476 62.056 62.300 0.387 0.000 1.098 241 V CB 0.329 32.295 31.823 0.239 0.000 1.000 241 V HN 0.938 nan 8.190 nan 0.000 0.484 242 Q N 3.088 123.078 119.800 0.316 0.000 2.373 242 Q HA 0.324 4.663 4.340 -0.003 0.000 0.255 242 Q C -2.159 173.947 176.000 0.177 0.000 0.980 242 Q CA -1.513 54.426 55.803 0.227 0.000 0.882 242 Q CB 0.641 29.478 28.738 0.165 0.000 1.249 242 Q HN 0.715 nan 8.270 nan 0.000 0.438 243 P HA -0.013 nan 4.420 nan 0.000 0.265 243 P C -0.813 176.528 177.300 0.068 0.000 1.187 243 P CA 0.832 63.994 63.100 0.105 0.000 0.766 243 P CB 0.456 32.208 31.700 0.088 0.000 0.820 244 I N 2.193 122.785 120.570 0.037 0.000 2.447 244 I HA 0.236 4.404 4.170 -0.003 0.000 0.287 244 I C 0.077 176.189 176.117 -0.007 0.000 1.023 244 I CA -1.187 60.120 61.300 0.011 0.000 1.083 244 I CB 2.285 40.277 38.000 -0.014 0.000 1.245 244 I HN 0.069 nan 8.210 nan 0.000 0.434 245 V N 8.095 128.012 119.914 0.006 0.000 2.333 245 V HA 0.395 4.513 4.120 -0.003 0.000 0.274 245 V C -0.043 176.067 176.094 0.027 0.000 1.028 245 V CA -0.403 61.903 62.300 0.010 0.000 0.851 245 V CB 1.153 32.984 31.823 0.013 0.000 1.000 245 V HN 0.540 nan 8.190 nan 0.000 0.456 246 L N 10.347 131.588 121.223 0.030 0.000 2.363 246 L HA 0.366 4.705 4.340 -0.003 0.000 0.286 246 L C -1.698 175.243 176.870 0.118 0.000 1.106 246 L CA -1.463 53.425 54.840 0.080 0.000 0.859 246 L CB 0.686 42.777 42.059 0.054 0.000 1.223 246 L HN 0.538 nan 8.230 nan 0.000 0.446 247 P HA 0.034 nan 4.420 nan 0.000 0.269 247 P C -0.519 176.810 177.300 0.048 0.000 1.215 247 P CA -0.260 62.876 63.100 0.060 0.000 0.780 247 P CB 0.849 32.553 31.700 0.007 0.000 0.898 248 E N 2.401 122.583 120.200 -0.031 0.000 2.259 248 E HA 0.274 4.622 4.350 -0.003 0.000 0.281 248 E C -0.076 176.396 176.600 -0.213 0.000 1.037 248 E CA 0.067 56.432 56.400 -0.057 0.000 0.854 248 E CB 0.990 30.667 29.700 -0.039 0.000 1.051 248 E HN 0.381 nan 8.360 nan 0.000 0.409 249 K N 2.000 122.214 120.400 -0.310 0.000 2.543 249 K HA 0.169 4.487 4.320 -0.003 0.000 0.255 249 K C -0.411 175.960 176.600 -0.382 0.000 0.934 249 K CA -0.608 55.349 56.287 -0.549 0.000 0.810 249 K CB 1.690 33.422 32.500 -1.281 0.000 1.315 249 K HN 0.143 nan 8.250 nan 0.000 0.433 250 D N 0.314 120.550 120.400 -0.275 0.000 2.183 250 D HA 0.003 4.642 4.640 -0.003 0.000 0.205 250 D C -0.114 176.106 176.300 -0.135 0.000 0.962 250 D CA 1.093 55.012 54.000 -0.136 0.000 0.849 250 D CB 0.432 41.177 40.800 -0.092 0.000 0.978 250 D HN 0.212 nan 8.370 nan 0.000 0.488 251 S N -0.370 115.180 115.700 -0.250 0.000 2.521 251 S HA 0.440 4.908 4.470 -0.003 0.000 0.295 251 S C -1.200 173.227 174.600 -0.289 0.000 1.098 251 S CA -0.799 57.314 58.200 -0.145 0.000 0.999 251 S CB 1.543 64.701 63.200 -0.070 0.000 1.034 251 S HN 0.078 nan 8.310 nan 0.000 0.483 252 W N 1.873 123.165 121.300 -0.013 0.000 2.520 252 W HA 0.526 5.184 4.660 -0.003 0.000 0.323 252 W C 0.745 177.255 176.519 -0.014 0.000 1.062 252 W CA -0.583 56.753 57.345 -0.014 0.000 1.215 252 W CB 1.195 30.646 29.460 -0.015 0.000 1.340 252 W HN 0.637 nan 8.180 nan 0.000 0.516 253 T N -1.429 113.240 114.554 0.191 0.000 2.934 253 T HA 0.293 4.641 4.350 -0.003 0.000 0.283 253 T C 0.852 175.630 174.700 0.130 0.000 1.005 253 T CA -0.750 61.421 62.100 0.118 0.000 1.041 253 T CB 1.400 70.301 68.868 0.055 0.000 1.042 253 T HN 0.240 nan 8.240 nan 0.000 0.505 254 V N 2.152 122.113 119.914 0.078 0.000 2.233 254 V HA -0.294 3.825 4.120 -0.003 0.000 0.252 254 V C 2.923 179.050 176.094 0.055 0.000 1.063 254 V CA 2.631 64.963 62.300 0.054 0.000 1.032 254 V CB -1.145 30.697 31.823 0.031 0.000 0.645 254 V HN 1.078 nan 8.190 nan 0.000 0.446 255 N N -0.274 118.455 118.700 0.048 0.000 2.094 255 N HA -0.254 4.484 4.740 -0.003 0.000 0.191 255 N C 1.536 177.089 175.510 0.071 0.000 1.023 255 N CA 1.944 55.019 53.050 0.041 0.000 0.857 255 N CB -0.179 38.324 38.487 0.025 0.000 1.013 255 N HN 0.518 nan 8.380 nan 0.000 0.426 256 D N 0.553 121.025 120.400 0.120 0.000 2.178 256 D HA -0.072 4.567 4.640 -0.003 0.000 0.201 256 D C 1.944 178.398 176.300 0.257 0.000 0.980 256 D CA 0.688 54.816 54.000 0.213 0.000 0.842 256 D CB -0.051 40.929 40.800 0.301 0.000 0.948 256 D HN 0.478 nan 8.370 nan 0.000 0.472 257 I N 0.431 121.102 120.570 0.168 0.000 2.716 257 I HA -0.144 4.024 4.170 -0.003 0.000 0.259 257 I C 2.358 178.473 176.117 -0.003 0.000 1.172 257 I CA 0.475 61.792 61.300 0.029 0.000 1.478 257 I CB -0.022 37.965 38.000 -0.023 0.000 1.104 257 I HN -0.115 nan 8.210 nan 0.000 0.439 258 Q N 0.955 120.768 119.800 0.021 0.000 2.046 258 Q HA -0.186 4.153 4.340 -0.003 0.000 0.200 258 Q C 2.125 178.129 176.000 0.007 0.000 0.975 258 Q CA 1.375 57.181 55.803 0.005 0.000 0.836 258 Q CB -0.014 28.728 28.738 0.006 0.000 0.896 258 Q HN 0.394 nan 8.270 nan 0.000 0.428 259 K N 0.403 120.817 120.400 0.023 0.000 2.097 259 K HA -0.161 4.157 4.320 -0.003 0.000 0.206 259 K C 1.988 178.601 176.600 0.022 0.000 1.049 259 K CA 0.853 57.150 56.287 0.018 0.000 0.933 259 K CB -0.133 32.384 32.500 0.029 0.000 0.717 259 K HN 0.071 nan 8.250 nan 0.000 0.442 260 L N 0.561 121.804 121.223 0.034 0.000 2.056 260 L HA -0.128 4.211 4.340 -0.003 0.000 0.207 260 L C 1.847 178.702 176.870 -0.026 0.000 1.078 260 L CA 1.494 56.337 54.840 0.005 0.000 0.749 260 L CB -0.240 41.789 42.059 -0.050 0.000 0.901 260 L HN -0.108 nan 8.230 nan 0.000 0.433 261 V N 0.321 120.216 119.914 -0.032 0.000 2.358 261 V HA -0.165 3.954 4.120 -0.003 0.000 0.246 261 V C 2.656 178.756 176.094 0.010 0.000 1.047 261 V CA 1.708 63.992 62.300 -0.025 0.000 1.035 261 V CB -1.706 30.100 31.823 -0.028 0.000 0.658 261 V HN 0.620 nan 8.190 nan 0.000 0.452 262 G N -0.007 108.801 108.800 0.014 0.000 2.418 262 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.217 262 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.217 262 G C 1.655 176.598 174.900 0.071 0.000 1.158 262 G CA 0.910 46.031 45.100 0.033 0.000 0.771 262 G HN 0.488 nan 8.290 nan 0.000 0.545 263 K N -0.543 119.883 120.400 0.044 0.000 2.147 263 K HA 0.040 4.358 4.320 -0.003 0.000 0.205 263 K C 2.333 178.993 176.600 0.099 0.000 1.049 263 K CA 0.458 56.788 56.287 0.071 0.000 0.936 263 K CB -0.176 32.342 32.500 0.030 0.000 0.722 263 K HN 0.127 nan 8.250 nan 0.000 0.446 264 L N 1.704 122.956 121.223 0.049 0.000 1.988 264 L HA -0.138 4.200 4.340 -0.003 0.000 0.207 264 L C 1.804 178.710 176.870 0.061 0.000 1.071 264 L CA 1.656 56.510 54.840 0.023 0.000 0.744 264 L CB -1.139 40.910 42.059 -0.015 0.000 0.893 264 L HN 0.193 nan 8.230 nan 0.000 0.433 265 N N -1.032 117.715 118.700 0.079 0.000 2.094 265 N HA -0.287 4.452 4.740 -0.003 0.000 0.191 265 N C 1.729 177.324 175.510 0.141 0.000 1.023 265 N CA 1.305 54.413 53.050 0.095 0.000 0.857 265 N CB -0.426 38.121 38.487 0.100 0.000 1.013 265 N HN 0.505 nan 8.380 nan 0.000 0.426 266 W N 1.771 123.068 121.300 -0.005 0.000 2.363 266 W HA -0.126 4.532 4.660 -0.003 0.000 0.296 266 W C 1.900 178.443 176.519 0.040 0.000 1.212 266 W CA 1.602 58.941 57.345 -0.009 0.000 1.260 266 W CB -0.095 29.329 29.460 -0.061 0.000 1.131 266 W HN 0.052 nan 8.180 nan 0.000 0.530 267 A N 0.416 123.295 122.820 0.099 0.000 2.014 267 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 267 A C 1.889 179.526 177.584 0.089 0.000 1.163 267 A CA 1.791 53.870 52.037 0.070 0.000 0.652 267 A CB -1.136 17.863 19.000 -0.001 0.000 0.808 267 A HN 0.319 nan 8.150 nan 0.000 0.449 268 S N -0.474 115.247 115.700 0.035 0.000 2.603 268 S HA -0.097 4.371 4.470 -0.003 0.000 0.229 268 S C 1.465 176.063 174.600 -0.004 0.000 0.972 268 S CA 0.822 59.039 58.200 0.028 0.000 0.935 268 S CB -0.366 62.841 63.200 0.010 0.000 0.769 268 S HN 0.680 nan 8.310 nan 0.000 0.536 269 Q N -0.408 119.386 119.800 -0.009 0.000 2.297 269 Q HA 0.163 4.502 4.340 -0.003 0.000 0.204 269 Q C 1.460 177.536 176.000 0.128 0.000 0.962 269 Q CA 1.083 56.924 55.803 0.063 0.000 0.879 269 Q CB -0.017 28.759 28.738 0.064 0.000 0.947 269 Q HN 0.679 nan 8.270 nan 0.000 0.462 270 I N -2.545 118.040 120.570 0.025 0.000 5.046 270 I HA 0.043 4.212 4.170 -0.003 0.000 0.341 270 I C -0.838 175.110 176.117 -0.282 0.000 1.257 270 I CA -0.053 61.149 61.300 -0.163 0.000 1.421 270 I CB 0.930 38.673 38.000 -0.428 0.000 1.495 270 I HN -0.136 nan 8.210 nan 0.000 0.518 271 Y N 4.148 124.384 120.300 -0.108 0.000 2.504 271 Y HA 0.440 4.989 4.550 -0.001 0.000 0.351 271 Y C -2.104 173.742 175.900 -0.089 0.000 0.988 271 Y CA -2.469 55.571 58.100 -0.099 0.000 1.239 271 Y CB -0.063 38.351 38.460 -0.077 0.000 1.128 271 Y HN 0.047 nan 8.280 nan 0.000 0.525 272 P HA 0.066 nan 4.420 nan 0.000 0.268 272 P C 0.700 177.997 177.300 -0.006 0.000 1.204 272 P CA 0.794 63.878 63.100 -0.027 0.000 0.768 272 P CB 0.737 32.405 31.700 -0.054 0.000 0.842 273 G N 2.966 111.755 108.800 -0.020 0.000 2.179 273 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.257 273 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.257 273 G C 0.315 175.206 174.900 -0.015 0.000 1.010 273 G CA -0.577 44.511 45.100 -0.019 0.000 0.736 273 G HN 0.460 nan 8.290 nan 0.000 0.513 274 I N 0.036 120.604 120.570 -0.004 0.000 2.815 274 I HA 0.153 4.322 4.170 -0.003 0.000 0.291 274 I C 0.851 176.955 176.117 -0.021 0.000 1.209 274 I CA 0.944 62.236 61.300 -0.012 0.000 1.431 274 I CB 0.767 38.766 38.000 -0.001 0.000 1.351 274 I HN 0.165 nan 8.210 nan 0.000 0.585 275 K N 4.181 124.561 120.400 -0.035 0.000 2.375 275 K HA 0.558 4.876 4.320 -0.003 0.000 0.249 275 K C 0.083 176.655 176.600 -0.047 0.000 0.942 275 K CA -0.468 55.796 56.287 -0.039 0.000 0.806 275 K CB 2.357 34.827 32.500 -0.050 0.000 1.227 275 K HN 0.427 nan 8.250 nan 0.000 0.430 276 V N 0.141 120.029 119.914 -0.044 0.000 3.372 276 V HA 0.233 4.351 4.120 -0.003 0.000 0.304 276 V C 1.374 177.435 176.094 -0.055 0.000 1.530 276 V CA -0.210 62.058 62.300 -0.053 0.000 1.080 276 V CB 0.367 32.166 31.823 -0.040 0.000 0.929 276 V HN 0.792 nan 8.190 nan 0.000 0.455 277 R N 0.268 120.737 120.500 -0.051 0.000 2.083 277 R HA -0.126 4.212 4.340 -0.003 0.000 0.237 277 R C 2.231 178.497 176.300 -0.057 0.000 1.137 277 R CA 2.250 58.320 56.100 -0.050 0.000 0.951 277 R CB -0.008 30.262 30.300 -0.049 0.000 0.851 277 R HN 0.498 nan 8.270 nan 0.000 0.434 278 Q N 0.165 119.925 119.800 -0.067 0.000 2.245 278 Q HA -0.018 4.321 4.340 -0.003 0.000 0.201 278 Q C 2.069 178.015 176.000 -0.090 0.000 0.955 278 Q CA 0.895 56.654 55.803 -0.073 0.000 0.870 278 Q CB 0.075 28.769 28.738 -0.074 0.000 0.945 278 Q HN 0.399 nan 8.270 nan 0.000 0.461 279 L N -1.093 120.067 121.223 -0.106 0.000 2.240 279 L HA -0.111 4.228 4.340 -0.003 0.000 0.211 279 L C 2.281 179.089 176.870 -0.102 0.000 1.106 279 L CA 0.429 55.188 54.840 -0.136 0.000 0.793 279 L CB -0.113 41.848 42.059 -0.163 0.000 0.927 279 L HN 0.211 nan 8.230 nan 0.000 0.446 280 C N -0.179 119.076 119.300 -0.075 0.000 2.467 280 C HA -0.065 4.393 4.460 -0.003 0.000 0.279 280 C C 2.680 177.642 174.990 -0.047 0.000 1.347 280 C CA 0.368 59.353 59.018 -0.055 0.000 1.748 280 C CB -0.414 27.299 27.740 -0.044 0.000 1.977 280 C HN 0.393 nan 8.230 nan 0.000 0.501 281 K N 0.269 120.640 120.400 -0.048 0.000 2.211 281 K HA -0.141 4.178 4.320 -0.003 0.000 0.204 281 K C 1.605 178.183 176.600 -0.037 0.000 1.047 281 K CA 1.036 57.299 56.287 -0.039 0.000 0.935 281 K CB -0.200 32.276 32.500 -0.040 0.000 0.728 281 K HN 0.303 nan 8.250 nan 0.000 0.452 282 L N 0.574 121.769 121.223 -0.046 0.000 2.083 282 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 282 L C 1.933 178.787 176.870 -0.027 0.000 1.083 282 L CA 1.397 56.213 54.840 -0.040 0.000 0.752 282 L CB -0.555 41.468 42.059 -0.061 0.000 0.899 282 L HN 0.132 nan 8.230 nan 0.000 0.433 283 L N -0.808 120.398 121.223 -0.029 0.000 2.275 283 L HA -0.074 4.265 4.340 -0.003 0.000 0.215 283 L C 1.240 178.102 176.870 -0.013 0.000 1.119 283 L CA 0.787 55.616 54.840 -0.018 0.000 0.790 283 L CB -0.942 41.105 42.059 -0.020 0.000 0.919 283 L HN 0.196 nan 8.230 nan 0.000 0.443 284 R N 0.083 120.574 120.500 -0.015 0.000 2.583 284 R HA 0.333 4.671 4.340 -0.003 0.000 0.274 284 R C 0.544 176.839 176.300 -0.008 0.000 0.998 284 R CA 0.819 56.912 56.100 -0.012 0.000 1.081 284 R CB -0.243 30.049 30.300 -0.014 0.000 0.940 284 R HN 0.326 nan 8.270 nan 0.000 0.413 285 G N 0.889 109.686 108.800 -0.005 0.000 2.674 285 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.686 285 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.686 285 G C -0.435 174.464 174.900 -0.001 0.000 1.195 285 G CA -0.537 44.561 45.100 -0.003 0.000 0.776 285 G HN 0.528 nan 8.290 nan 0.000 0.654 286 T N 2.356 116.909 114.554 -0.001 0.000 2.848 286 T HA 0.515 4.864 4.350 -0.003 0.000 0.283 286 T C 0.263 174.964 174.700 0.001 0.000 0.919 286 T CA 0.134 62.234 62.100 -0.000 0.000 1.071 286 T CB -0.412 68.456 68.868 -0.000 0.000 0.912 286 T HN 0.546 nan 8.240 nan 0.000 0.570 287 K N 2.676 123.077 120.400 0.002 0.000 2.400 287 K HA 0.738 5.057 4.320 -0.003 0.000 0.246 287 K C -0.447 176.156 176.600 0.004 0.000 0.995 287 K CA -0.943 55.347 56.287 0.004 0.000 0.840 287 K CB 1.971 34.475 32.500 0.007 0.000 1.293 287 K HN 0.513 nan 8.250 nan 0.000 0.445 288 A N 1.639 124.462 122.820 0.005 0.000 2.327 288 A HA 0.296 4.615 4.320 -0.003 0.000 0.283 288 A C 1.478 179.066 177.584 0.008 0.000 1.127 288 A CA -0.560 51.480 52.037 0.004 0.000 0.810 288 A CB -0.081 18.921 19.000 0.003 0.000 1.066 288 A HN 0.856 nan 8.150 nan 0.000 0.492 289 L N 0.769 121.996 121.223 0.007 0.000 2.263 289 L HA -0.115 4.224 4.340 -0.003 0.000 0.216 289 L C 1.520 178.399 176.870 0.014 0.000 1.111 289 L CA 2.285 57.132 54.840 0.011 0.000 0.773 289 L CB -1.154 40.908 42.059 0.006 0.000 0.906 289 L HN 0.583 nan 8.230 nan 0.000 0.439 290 T N -0.553 114.006 114.554 0.009 0.000 3.055 290 T HA -0.065 4.283 4.350 -0.003 0.000 0.265 290 T C 0.794 175.501 174.700 0.012 0.000 1.111 290 T CA 0.389 62.493 62.100 0.007 0.000 1.118 290 T CB -0.250 68.618 68.868 0.001 0.000 0.909 290 T HN 0.500 nan 8.240 nan 0.000 0.501 291 E N 1.681 121.891 120.200 0.017 0.000 2.384 291 E HA 0.174 4.522 4.350 -0.003 0.000 0.266 291 E C -0.773 175.848 176.600 0.035 0.000 1.012 291 E CA -0.312 56.100 56.400 0.020 0.000 0.901 291 E CB 0.629 30.340 29.700 0.018 0.000 0.967 291 E HN -0.040 nan 8.360 nan 0.000 0.435 292 V N 6.157 126.091 119.914 0.034 0.000 2.530 292 V HA 0.127 4.246 4.120 -0.003 0.000 0.282 292 V C 0.152 176.284 176.094 0.063 0.000 1.048 292 V CA -0.288 62.045 62.300 0.055 0.000 0.997 292 V CB 1.014 32.861 31.823 0.039 0.000 0.987 292 V HN 0.577 nan 8.190 nan 0.000 0.477 293 I N 7.055 127.682 120.570 0.096 0.000 2.355 293 I HA 0.386 4.555 4.170 -0.003 0.000 0.288 293 I C -2.361 173.814 176.117 0.096 0.000 0.999 293 I CA -2.604 58.741 61.300 0.075 0.000 1.163 293 I CB 1.500 39.533 38.000 0.054 0.000 1.316 293 I HN 0.415 nan 8.210 nan 0.000 0.454 294 P HA 0.183 nan 4.420 nan 0.000 0.267 294 P C -0.254 177.070 177.300 0.040 0.000 1.205 294 P CA -0.178 62.962 63.100 0.067 0.000 0.765 294 P CB 0.512 32.237 31.700 0.040 0.000 0.828 295 L N 2.933 124.182 121.223 0.044 0.000 2.410 295 L HA 0.155 4.493 4.340 -0.003 0.000 0.273 295 L C 1.538 178.398 176.870 -0.017 0.000 1.152 295 L CA -0.298 54.528 54.840 -0.022 0.000 0.855 295 L CB 0.165 42.192 42.059 -0.054 0.000 1.129 295 L HN 0.466 nan 8.230 nan 0.000 0.463 296 T N -1.237 113.297 114.554 -0.034 0.000 2.667 296 T HA -0.012 4.337 4.350 -0.003 0.000 0.305 296 T C 0.929 175.611 174.700 -0.030 0.000 1.022 296 T CA -0.418 61.666 62.100 -0.028 0.000 0.995 296 T CB 1.115 69.962 68.868 -0.034 0.000 1.026 296 T HN 0.628 nan 8.240 nan 0.000 0.527 297 E N 0.521 120.707 120.200 -0.025 0.000 2.072 297 E HA -0.134 4.215 4.350 -0.003 0.000 0.190 297 E C 2.242 178.822 176.600 -0.034 0.000 0.982 297 E CA 1.366 57.751 56.400 -0.024 0.000 0.803 297 E CB -0.170 29.519 29.700 -0.018 0.000 0.755 297 E HN 0.787 nan 8.360 nan 0.000 0.453 298 E N 0.229 120.406 120.200 -0.039 0.000 2.208 298 E HA -0.120 4.228 4.350 -0.003 0.000 0.193 298 E C 1.917 178.480 176.600 -0.061 0.000 0.988 298 E CA 1.099 57.471 56.400 -0.047 0.000 0.828 298 E CB -0.397 29.276 29.700 -0.046 0.000 0.763 298 E HN 0.272 nan 8.360 nan 0.000 0.478 299 A N 1.402 124.179 122.820 -0.070 0.000 1.929 299 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 299 A C 2.082 179.597 177.584 -0.115 0.000 1.176 299 A CA 1.460 53.437 52.037 -0.101 0.000 0.628 299 A CB -0.388 18.544 19.000 -0.114 0.000 0.816 299 A HN 0.270 nan 8.150 nan 0.000 0.444 300 E N -0.312 119.837 120.200 -0.086 0.000 2.230 300 E HA 0.036 4.385 4.350 -0.003 0.000 0.192 300 E C 1.807 178.374 176.600 -0.055 0.000 0.987 300 E CA 0.283 56.641 56.400 -0.070 0.000 0.841 300 E CB -0.171 29.510 29.700 -0.031 0.000 0.783 300 E HN 0.612 nan 8.360 nan 0.000 0.481 301 L N 0.493 121.685 121.223 -0.051 0.000 2.017 301 L HA -0.181 4.158 4.340 -0.003 0.000 0.208 301 L C 2.554 179.391 176.870 -0.056 0.000 1.073 301 L CA 1.554 56.367 54.840 -0.045 0.000 0.745 301 L CB -0.362 41.672 42.059 -0.042 0.000 0.894 301 L HN 0.240 nan 8.230 nan 0.000 0.432 302 E N 0.513 120.670 120.200 -0.071 0.000 2.031 302 E HA -0.256 4.093 4.350 -0.003 0.000 0.193 302 E C 2.374 178.922 176.600 -0.086 0.000 0.994 302 E CA 1.020 57.373 56.400 -0.078 0.000 0.800 302 E CB -0.094 29.552 29.700 -0.089 0.000 0.752 302 E HN 0.374 nan 8.360 nan 0.000 0.447 303 L N 0.264 121.420 121.223 -0.111 0.000 2.129 303 L HA -0.243 4.095 4.340 -0.003 0.000 0.212 303 L C 2.300 179.128 176.870 -0.070 0.000 1.087 303 L CA 1.317 56.086 54.840 -0.118 0.000 0.757 303 L CB -0.287 41.674 42.059 -0.163 0.000 0.896 303 L HN 0.250 nan 8.230 nan 0.000 0.434 304 A N -0.479 122.309 122.820 -0.054 0.000 1.841 304 A HA -0.276 4.043 4.320 -0.003 0.000 0.214 304 A C 2.123 179.684 177.584 -0.037 0.000 1.195 304 A CA 1.635 53.651 52.037 -0.034 0.000 0.611 304 A CB -0.705 18.279 19.000 -0.027 0.000 0.835 304 A HN 0.493 nan 8.150 nan 0.000 0.443 305 E N -0.182 119.993 120.200 -0.042 0.000 2.086 305 E HA -0.263 4.085 4.350 -0.003 0.000 0.200 305 E C 1.857 178.431 176.600 -0.044 0.000 1.012 305 E CA 1.589 57.965 56.400 -0.041 0.000 0.812 305 E CB -0.132 29.542 29.700 -0.044 0.000 0.743 305 E HN 0.555 nan 8.360 nan 0.000 0.453 306 N N 0.241 118.908 118.700 -0.055 0.000 2.120 306 N HA -0.181 4.558 4.740 -0.003 0.000 0.188 306 N C 1.850 177.319 175.510 -0.068 0.000 1.024 306 N CA 1.038 54.050 53.050 -0.064 0.000 0.852 306 N CB -0.346 38.095 38.487 -0.076 0.000 1.003 306 N HN 0.063 nan 8.380 nan 0.000 0.424 307 R N 1.407 121.874 120.500 -0.054 0.000 2.120 307 R HA -0.121 4.218 4.340 -0.003 0.000 0.234 307 R C 1.977 178.251 176.300 -0.043 0.000 1.123 307 R CA 1.467 57.541 56.100 -0.044 0.000 0.975 307 R CB -0.169 30.119 30.300 -0.021 0.000 0.866 307 R HN 0.398 nan 8.270 nan 0.000 0.446 308 E N -0.064 120.115 120.200 -0.036 0.000 2.112 308 E HA -0.105 4.244 4.350 -0.003 0.000 0.190 308 E C 1.679 178.267 176.600 -0.021 0.000 0.979 308 E CA 1.406 57.790 56.400 -0.026 0.000 0.814 308 E CB -0.154 29.532 29.700 -0.023 0.000 0.762 308 E HN 0.466 nan 8.360 nan 0.000 0.460 309 I N 0.820 121.375 120.570 -0.025 0.000 2.394 309 I HA -0.185 3.983 4.170 -0.003 0.000 0.251 309 I C 1.863 177.986 176.117 0.010 0.000 1.136 309 I CA 0.498 61.805 61.300 0.010 0.000 1.425 309 I CB -0.247 37.764 38.000 0.018 0.000 1.079 309 I HN 0.250 nan 8.210 nan 0.000 0.425 310 L N 0.884 122.039 121.223 -0.113 0.000 2.395 310 L HA -0.050 4.289 4.340 -0.003 0.000 0.218 310 L C 2.347 179.164 176.870 -0.088 0.000 1.130 310 L CA 1.231 55.919 54.840 -0.253 0.000 0.826 310 L CB -0.960 40.924 42.059 -0.291 0.000 0.941 310 L HN 0.305 nan 8.230 nan 0.000 0.451 311 K N 0.582 120.964 120.400 -0.030 0.000 2.001 311 K HA -0.161 4.157 4.320 -0.003 0.000 0.214 311 K C 0.888 177.503 176.600 0.025 0.000 1.050 311 K CA 1.150 57.434 56.287 -0.004 0.000 0.934 311 K CB -0.159 32.339 32.500 -0.003 0.000 0.718 311 K HN 0.316 nan 8.250 nan 0.000 0.443 312 E N 2.336 122.565 120.200 0.047 0.000 2.283 312 E HA 0.157 4.506 4.350 -0.003 0.000 0.278 312 E C -2.615 174.062 176.600 0.128 0.000 1.027 312 E CA -2.660 53.774 56.400 0.057 0.000 0.843 312 E CB 0.601 30.315 29.700 0.024 0.000 1.062 312 E HN -0.028 nan 8.360 nan 0.000 0.401 313 P HA 0.100 nan 4.420 nan 0.000 0.271 313 P C -0.448 176.845 177.300 -0.012 0.000 1.216 313 P CA -0.320 62.874 63.100 0.156 0.000 0.771 313 P CB 0.933 32.699 31.700 0.110 0.000 0.864 314 V N 4.312 124.088 119.914 -0.230 0.000 2.715 314 V HA 0.458 4.576 4.120 -0.003 0.000 0.310 314 V C 0.427 176.173 176.094 -0.579 0.000 1.054 314 V CA -0.539 61.392 62.300 -0.615 0.000 0.928 314 V CB 1.636 32.853 31.823 -1.011 0.000 1.007 314 V HN 0.779 nan 8.190 nan 0.000 0.437 315 H N 1.054 119.834 119.070 -0.483 0.000 2.949 315 H HA 0.804 5.360 4.556 -0.001 0.000 0.356 315 H C -0.348 174.583 175.328 -0.661 0.000 1.212 315 H CA -0.774 54.935 56.048 -0.565 0.000 1.136 315 H CB 2.315 31.822 29.762 -0.425 0.000 1.869 315 H HN 0.782 nan 8.280 nan 0.000 0.556 316 G N 0.191 108.481 108.800 -0.851 0.000 2.489 316 G HA2 0.509 4.468 3.960 -0.003 0.000 0.327 316 G HA3 0.509 4.468 3.960 -0.003 0.000 0.327 316 G C -0.103 174.544 174.900 -0.421 0.000 1.189 316 G CA -0.341 44.278 45.100 -0.801 0.000 0.962 316 G HN 0.679 nan 8.290 nan 0.000 0.486 317 V N -1.682 118.183 119.914 -0.082 0.000 3.193 317 V HA 0.733 4.851 4.120 -0.003 0.000 0.320 317 V C -0.526 175.615 176.094 0.078 0.000 1.112 317 V CA -1.352 60.924 62.300 -0.041 0.000 1.026 317 V CB 1.116 32.962 31.823 0.038 0.000 1.128 317 V HN 0.570 nan 8.190 nan 0.000 0.452 318 Y N -0.180 120.298 120.300 0.297 0.000 2.408 318 Y HA 0.544 5.091 4.550 -0.006 0.000 0.324 318 Y C -0.100 175.968 175.900 0.280 0.000 1.302 318 Y CA -0.637 57.645 58.100 0.302 0.000 1.384 318 Y CB 0.615 39.204 38.460 0.215 0.000 1.367 318 Y HN 0.751 nan 8.280 nan 0.000 0.525 319 Y N 1.445 121.958 120.300 0.356 0.000 2.308 319 Y HA 0.314 4.864 4.550 -0.000 0.000 0.329 319 Y C -0.738 175.232 175.900 0.115 0.000 1.111 319 Y CA -1.324 56.893 58.100 0.196 0.000 1.179 319 Y CB 0.818 39.466 38.460 0.313 0.000 1.201 319 Y HN 0.505 nan 8.280 nan 0.000 0.483 320 D N 8.152 128.234 120.400 -0.530 0.000 2.453 320 D HA 0.320 4.958 4.640 -0.003 0.000 0.238 320 D C -2.239 173.529 176.300 -0.888 0.000 1.088 320 D CA -2.535 51.144 54.000 -0.534 0.000 0.854 320 D CB 2.096 42.752 40.800 -0.239 0.000 1.076 320 D HN 0.336 nan 8.370 nan 0.000 0.533 321 P HA -0.111 nan 4.420 nan 0.000 0.221 321 P C 1.175 178.324 177.300 -0.252 0.000 1.145 321 P CA 0.841 63.616 63.100 -0.541 0.000 0.795 321 P CB 0.213 31.796 31.700 -0.195 0.000 0.775 322 S N -2.279 113.288 115.700 -0.221 0.000 2.527 322 S HA 0.071 4.539 4.470 -0.003 0.000 0.222 322 S C 0.807 175.337 174.600 -0.116 0.000 0.985 322 S CA 0.107 58.232 58.200 -0.125 0.000 0.921 322 S CB -0.490 62.651 63.200 -0.099 0.000 0.772 322 S HN 0.080 nan 8.310 nan 0.000 0.529 323 K N 1.181 121.486 120.400 -0.158 0.000 2.156 323 K HA 0.459 4.777 4.320 -0.003 0.000 0.250 323 K C -1.253 175.283 176.600 -0.106 0.000 0.955 323 K CA -0.885 55.329 56.287 -0.122 0.000 0.855 323 K CB 0.693 33.118 32.500 -0.125 0.000 1.101 323 K HN 0.036 nan 8.250 nan 0.000 0.434 324 D N 1.157 121.502 120.400 -0.091 0.000 2.357 324 D HA 0.192 4.831 4.640 -0.003 0.000 0.242 324 D C -0.298 175.910 176.300 -0.154 0.000 1.153 324 D CA -0.069 53.871 54.000 -0.100 0.000 0.918 324 D CB 0.638 41.380 40.800 -0.096 0.000 1.181 324 D HN 0.192 nan 8.370 nan 0.000 0.435 325 L N 1.668 122.766 121.223 -0.208 0.000 2.325 325 L HA 0.446 4.785 4.340 -0.003 0.000 0.279 325 L C -0.291 176.347 176.870 -0.387 0.000 1.054 325 L CA -0.721 53.912 54.840 -0.346 0.000 0.804 325 L CB 0.939 42.720 42.059 -0.463 0.000 1.200 325 L HN 0.169 nan 8.230 nan 0.000 0.436 326 I N 2.143 122.406 120.570 -0.512 0.000 2.530 326 I HA 0.650 4.818 4.170 -0.003 0.000 0.297 326 I C -0.150 175.581 176.117 -0.644 0.000 1.011 326 I CA -0.146 60.804 61.300 -0.584 0.000 1.107 326 I CB 2.083 39.687 38.000 -0.660 0.000 1.285 326 I HN 0.591 nan 8.210 nan 0.000 0.436 327 A N 5.222 127.732 122.820 -0.517 0.000 2.343 327 A HA 0.761 5.079 4.320 -0.003 0.000 0.308 327 A C -0.773 176.768 177.584 -0.070 0.000 1.092 327 A CA -0.612 51.243 52.037 -0.303 0.000 0.751 327 A CB 0.807 19.587 19.000 -0.366 0.000 1.203 327 A HN 0.668 nan 8.150 nan 0.000 0.452 328 E N 1.927 122.161 120.200 0.056 0.000 2.191 328 E HA 0.579 4.927 4.350 -0.003 0.000 0.274 328 E C -1.057 175.670 176.600 0.211 0.000 0.948 328 E CA -0.435 56.055 56.400 0.150 0.000 0.802 328 E CB 2.123 31.942 29.700 0.198 0.000 1.137 328 E HN 0.594 nan 8.360 nan 0.000 0.397 329 I N 2.063 122.748 120.570 0.191 0.000 2.509 329 I HA 0.226 4.394 4.170 -0.003 0.000 0.293 329 I C -0.683 175.559 176.117 0.207 0.000 1.020 329 I CA -0.882 60.555 61.300 0.228 0.000 1.088 329 I CB 1.798 39.897 38.000 0.166 0.000 1.267 329 I HN 0.322 nan 8.210 nan 0.000 0.430 330 Q N 4.233 124.169 119.800 0.227 0.000 2.356 330 Q HA 0.373 4.711 4.340 -0.003 0.000 0.270 330 Q C -0.772 175.292 176.000 0.107 0.000 1.058 330 Q CA -0.859 55.031 55.803 0.144 0.000 0.802 330 Q CB 2.485 31.256 28.738 0.054 0.000 1.303 330 Q HN 0.330 nan 8.270 nan 0.000 0.444 331 K N 1.484 121.842 120.400 -0.071 0.000 2.412 331 K HA -0.019 4.299 4.320 -0.003 0.000 0.284 331 K C 0.090 176.475 176.600 -0.359 0.000 1.046 331 K CA 0.359 56.297 56.287 -0.581 0.000 0.999 331 K CB 0.529 32.685 32.500 -0.573 0.000 0.941 331 K HN 0.653 nan 8.250 nan 0.000 0.474 332 Q N 2.801 122.362 119.800 -0.398 0.000 2.219 332 Q HA 0.172 4.510 4.340 -0.003 0.000 0.209 332 Q C 0.137 175.997 176.000 -0.234 0.000 0.854 332 Q CA 0.332 56.003 55.803 -0.221 0.000 0.960 332 Q CB 0.653 29.310 28.738 -0.135 0.000 1.116 332 Q HN 1.023 nan 8.270 nan 0.000 0.500 333 G N 0.311 108.909 108.800 -0.337 0.000 2.250 333 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.196 333 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.196 333 G C -1.516 173.218 174.900 -0.276 0.000 1.308 333 G CA -0.486 44.464 45.100 -0.250 0.000 1.207 333 G HN 0.215 nan 8.290 nan 0.000 0.505 334 Q N 1.526 121.223 119.800 -0.172 0.000 2.465 334 Q HA 0.390 4.729 4.340 -0.003 0.000 0.237 334 Q C 1.235 177.181 176.000 -0.090 0.000 1.288 334 Q CA 0.884 56.615 55.803 -0.121 0.000 0.888 334 Q CB -0.072 28.616 28.738 -0.085 0.000 1.570 334 Q HN 2.669 nan 8.270 nan 0.000 0.532 335 G N 2.348 111.101 108.800 -0.079 0.000 2.184 335 G HA2 -0.313 3.646 3.960 -0.003 0.000 0.264 335 G HA3 -0.313 3.646 3.960 -0.003 0.000 0.264 335 G C -0.066 174.884 174.900 0.084 0.000 0.975 335 G CA 0.351 45.513 45.100 0.103 0.000 0.642 335 G HN 0.586 nan 8.290 nan 0.000 0.536 336 Q N -1.056 118.634 119.800 -0.184 0.000 2.243 336 Q HA 0.586 4.925 4.340 -0.003 0.000 0.252 336 Q C -0.698 175.040 176.000 -0.438 0.000 0.909 336 Q CA -0.433 55.289 55.803 -0.134 0.000 0.922 336 Q CB 0.986 29.653 28.738 -0.118 0.000 1.215 336 Q HN 0.407 nan 8.270 nan 0.000 0.427 337 W N 0.410 121.800 121.300 0.151 0.000 2.936 337 W HA 0.495 5.153 4.660 -0.003 0.000 0.338 337 W C -0.289 176.339 176.519 0.182 0.000 1.121 337 W CA -0.571 56.876 57.345 0.170 0.000 1.209 337 W CB 2.142 31.738 29.460 0.227 0.000 1.420 337 W HN 0.361 nan 8.180 nan 0.000 0.516 338 T N 1.848 116.606 114.554 0.340 0.000 2.900 338 T HA 0.722 5.071 4.350 -0.003 0.000 0.295 338 T C -1.626 173.249 174.700 0.291 0.000 1.044 338 T CA -0.443 61.790 62.100 0.221 0.000 0.995 338 T CB 0.817 69.728 68.868 0.071 0.000 1.072 338 T HN 0.354 nan 8.240 nan 0.000 0.473 339 Y N 1.108 121.496 120.300 0.147 0.000 2.615 339 Y HA 0.857 5.405 4.550 -0.003 0.000 0.341 339 Y C -1.290 174.676 175.900 0.110 0.000 1.089 339 Y CA -1.260 56.918 58.100 0.130 0.000 1.049 339 Y CB 1.257 39.798 38.460 0.135 0.000 1.296 339 Y HN 0.498 nan 8.280 nan 0.000 0.470 340 Q N 1.854 121.791 119.800 0.229 0.000 2.389 340 Q HA 0.721 5.059 4.340 -0.003 0.000 0.277 340 Q C -1.625 174.477 176.000 0.171 0.000 1.082 340 Q CA -0.633 55.266 55.803 0.160 0.000 0.810 340 Q CB 3.385 32.233 28.738 0.185 0.000 1.374 340 Q HN 0.760 nan 8.270 nan 0.000 0.422 341 I N 2.782 123.430 120.570 0.130 0.000 2.439 341 I HA 0.473 4.642 4.170 -0.003 0.000 0.283 341 I C -1.266 174.825 176.117 -0.044 0.000 1.023 341 I CA -0.926 60.345 61.300 -0.048 0.000 1.100 341 I CB 0.665 38.675 38.000 0.017 0.000 1.238 341 I HN 0.638 nan 8.210 nan 0.000 0.445 342 Y N 3.426 123.676 120.300 -0.083 0.000 2.698 342 Y HA 0.603 5.151 4.550 -0.003 0.000 0.332 342 Y C 0.147 175.954 175.900 -0.156 0.000 1.119 342 Y CA -0.897 57.144 58.100 -0.098 0.000 1.109 342 Y CB 1.067 39.490 38.460 -0.062 0.000 1.308 342 Y HN 0.406 nan 8.280 nan 0.000 0.499 343 Q N -0.610 119.282 119.800 0.153 0.000 2.404 343 Q HA 0.219 4.558 4.340 -0.003 0.000 0.262 343 Q C -0.746 175.304 176.000 0.083 0.000 0.846 343 Q CA 0.184 56.004 55.803 0.028 0.000 0.978 343 Q CB 1.215 29.922 28.738 -0.051 0.000 1.156 343 Q HN 0.710 nan 8.270 nan 0.000 0.548 344 E N 1.942 122.179 120.200 0.060 0.000 2.199 344 E HA 0.262 4.610 4.350 -0.003 0.000 0.265 344 E C -2.628 173.789 176.600 -0.305 0.000 0.882 344 E CA -2.477 53.872 56.400 -0.085 0.000 0.759 344 E CB 1.913 31.554 29.700 -0.098 0.000 1.148 344 E HN -0.078 nan 8.360 nan 0.000 0.412 345 P HA 0.118 nan 4.420 nan 0.000 0.275 345 P C -0.653 176.083 177.300 -0.939 0.000 1.227 345 P CA -0.092 62.108 63.100 -1.499 0.000 0.781 345 P CB 0.444 30.906 31.700 -2.063 0.000 0.906 346 F N 1.321 121.033 119.950 -0.396 0.000 2.848 346 F HA 0.305 4.830 4.527 -0.002 0.000 0.321 346 F C 1.073 176.695 175.800 -0.296 0.000 1.281 346 F CA -0.402 57.276 58.000 -0.538 0.000 1.209 346 F CB 0.352 39.117 39.000 -0.391 0.000 1.152 346 F HN -0.045 nan 8.300 nan 0.000 0.521 347 K N 1.559 121.868 120.400 -0.151 0.000 2.250 347 K HA 0.173 4.491 4.320 -0.003 0.000 0.285 347 K C -0.283 176.329 176.600 0.021 0.000 1.097 347 K CA -0.177 56.073 56.287 -0.061 0.000 0.913 347 K CB 0.247 32.713 32.500 -0.057 0.000 1.179 347 K HN 0.407 nan 8.250 nan 0.000 0.462 348 N N 3.188 121.900 118.700 0.021 0.000 2.497 348 N HA -0.002 4.736 4.740 -0.003 0.000 0.271 348 N C 1.027 176.602 175.510 0.107 0.000 1.142 348 N CA -0.532 52.577 53.050 0.099 0.000 0.965 348 N CB 0.777 39.291 38.487 0.046 0.000 1.077 348 N HN 0.225 nan 8.380 nan 0.000 0.462 349 L N 1.891 123.221 121.223 0.177 0.000 2.005 349 L HA -0.070 4.269 4.340 -0.003 0.000 0.207 349 L C 0.793 177.947 176.870 0.472 0.000 1.072 349 L CA 2.035 57.064 54.840 0.315 0.000 0.744 349 L CB -1.151 41.043 42.059 0.224 0.000 0.895 349 L HN 0.723 nan 8.230 nan 0.000 0.433 350 K N -2.297 118.314 120.400 0.351 0.000 2.614 350 K HA 0.486 4.804 4.320 -0.003 0.000 0.293 350 K C -0.516 176.184 176.600 0.166 0.000 1.045 350 K CA -0.716 55.777 56.287 0.343 0.000 0.880 350 K CB 1.366 34.104 32.500 0.397 0.000 1.552 350 K HN -0.045 nan 8.250 nan 0.000 0.404 351 T N -3.051 111.540 114.554 0.062 0.000 2.716 351 T HA 0.921 5.269 4.350 -0.003 0.000 0.286 351 T C 0.013 174.485 174.700 -0.380 0.000 1.052 351 T CA -0.326 61.674 62.100 -0.166 0.000 1.024 351 T CB 1.660 70.445 68.868 -0.138 0.000 1.349 351 T HN 1.239 nan 8.240 nan 0.000 0.525 352 G N -0.440 107.870 108.800 -0.816 0.000 2.341 352 G HA2 0.561 4.519 3.960 -0.003 0.000 0.299 352 G HA3 0.561 4.519 3.960 -0.003 0.000 0.299 352 G C -2.110 172.458 174.900 -0.552 0.000 1.274 352 G CA -0.803 43.855 45.100 -0.737 0.000 0.853 352 G HN 0.814 nan 8.290 nan 0.000 0.493 353 K N -1.184 119.233 120.400 0.027 0.000 2.546 353 K HA 0.616 4.935 4.320 -0.003 0.000 0.264 353 K C -2.415 174.445 176.600 0.433 0.000 0.937 353 K CA -0.929 55.483 56.287 0.208 0.000 0.833 353 K CB 2.581 35.140 32.500 0.098 0.000 1.378 353 K HN 0.735 nan 8.250 nan 0.000 0.432 354 Y N 1.990 122.470 120.300 0.299 0.000 2.307 354 Y HA 0.503 5.052 4.550 -0.003 0.000 0.323 354 Y C -0.808 175.267 175.900 0.291 0.000 1.100 354 Y CA -0.138 58.123 58.100 0.267 0.000 1.140 354 Y CB 1.832 40.435 38.460 0.240 0.000 1.159 354 Y HN 0.667 nan 8.280 nan 0.000 0.436 355 A N 5.386 128.056 122.820 -0.251 0.000 2.070 355 A HA 0.234 4.553 4.320 -0.003 0.000 0.202 355 A C 0.941 178.375 177.584 -0.250 0.000 1.277 355 A CA -0.244 51.734 52.037 -0.099 0.000 0.872 355 A CB -0.060 18.901 19.000 -0.064 0.000 0.933 355 A HN 0.705 nan 8.150 nan 0.000 0.475 356 R N 1.052 121.193 120.500 -0.598 0.000 2.598 356 R HA 0.018 4.356 4.340 -0.003 0.000 0.266 356 R C 0.147 176.366 176.300 -0.136 0.000 0.977 356 R CA 0.734 56.612 56.100 -0.371 0.000 1.097 356 R CB 0.141 30.182 30.300 -0.432 0.000 0.911 356 R HN 0.531 nan 8.270 nan 0.000 0.419 357 M N 3.387 122.965 119.600 -0.037 0.000 2.508 357 M HA 0.413 4.891 4.480 -0.003 0.000 0.327 357 M C -1.000 175.317 176.300 0.027 0.000 1.160 357 M CA -0.403 54.915 55.300 0.030 0.000 0.980 357 M CB 1.975 34.588 32.600 0.021 0.000 1.693 357 M HN 0.419 nan 8.290 nan 0.000 0.452 358 R N 2.324 122.852 120.500 0.047 0.000 2.423 358 R HA 0.625 4.963 4.340 -0.003 0.000 0.293 358 R C 0.165 176.484 176.300 0.032 0.000 1.196 358 R CA 0.530 56.657 56.100 0.045 0.000 1.262 358 R CB 0.100 30.438 30.300 0.063 0.000 1.116 358 R HN 1.162 nan 8.270 nan 0.000 0.566 359 G N 0.614 109.418 108.800 0.006 0.000 2.610 359 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.304 359 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.304 359 G C 0.320 175.150 174.900 -0.115 0.000 1.309 359 G CA -0.309 44.772 45.100 -0.031 0.000 0.906 359 G HN 0.404 nan 8.290 nan 0.000 0.521 360 A N -0.922 121.719 122.820 -0.299 0.000 2.030 360 A HA 0.426 4.745 4.320 -0.003 0.000 0.215 360 A C 0.900 178.153 177.584 -0.552 0.000 1.164 360 A CA 1.875 53.603 52.037 -0.514 0.000 0.697 360 A CB -0.199 18.334 19.000 -0.777 0.000 0.827 360 A HN 1.156 nan 8.150 nan 0.000 0.457 361 H N -0.093 119.020 119.070 0.071 0.000 2.689 361 H HA 0.534 5.088 4.556 -0.002 0.000 0.346 361 H C -0.759 174.609 175.328 0.067 0.000 1.037 361 H CA 0.101 56.187 56.048 0.064 0.000 1.234 361 H CB 1.047 30.851 29.762 0.070 0.000 1.572 361 H HN 0.266 nan 8.280 nan 0.000 0.524 362 T N 0.242 114.874 114.554 0.129 0.000 2.787 362 T HA 0.443 4.791 4.350 -0.003 0.000 0.297 362 T C -0.187 174.518 174.700 0.009 0.000 1.221 362 T CA -1.113 61.020 62.100 0.054 0.000 1.006 362 T CB 2.013 70.892 68.868 0.019 0.000 1.328 362 T HN 0.626 nan 8.240 nan 0.000 0.509 363 N N -0.622 118.013 118.700 -0.108 0.000 2.592 363 N HA 0.468 5.206 4.740 -0.003 0.000 0.292 363 N C 0.054 175.490 175.510 -0.124 0.000 1.260 363 N CA -0.840 52.130 53.050 -0.134 0.000 0.910 363 N CB 0.287 38.601 38.487 -0.287 0.000 1.257 363 N HN 0.452 nan 8.380 nan 0.000 0.569 364 D N -0.618 119.761 120.400 -0.034 0.000 2.144 364 D HA -0.083 4.555 4.640 -0.003 0.000 0.199 364 D C 1.722 177.924 176.300 -0.163 0.000 0.984 364 D CA 0.899 54.949 54.000 0.084 0.000 0.834 364 D CB -0.257 40.693 40.800 0.249 0.000 0.955 364 D HN 0.323 nan 8.370 nan 0.000 0.465 365 V N 1.066 120.747 119.914 -0.389 0.000 2.343 365 V HA -0.241 3.877 4.120 -0.003 0.000 0.247 365 V C 2.343 178.095 176.094 -0.570 0.000 1.051 365 V CA 1.493 63.461 62.300 -0.553 0.000 1.036 365 V CB -0.336 30.884 31.823 -1.005 0.000 0.654 365 V HN 0.192 nan 8.190 nan 0.000 0.451 366 K N -0.401 119.617 120.400 -0.636 0.000 2.002 366 K HA -0.227 4.091 4.320 -0.003 0.000 0.209 366 K C 2.345 178.754 176.600 -0.318 0.000 1.048 366 K CA 1.723 57.779 56.287 -0.386 0.000 0.930 366 K CB -0.259 32.064 32.500 -0.294 0.000 0.714 366 K HN 0.494 nan 8.250 nan 0.000 0.438 367 Q N 0.516 120.128 119.800 -0.313 0.000 2.096 367 Q HA -0.190 4.148 4.340 -0.003 0.000 0.204 367 Q C 2.219 177.716 176.000 -0.838 0.000 0.982 367 Q CA 1.185 56.755 55.803 -0.387 0.000 0.850 367 Q CB -0.125 28.525 28.738 -0.148 0.000 0.901 367 Q HN 0.183 nan 8.270 nan 0.000 0.422 368 L N 0.295 120.982 121.223 -0.894 0.000 2.027 368 L HA -0.147 4.192 4.340 -0.003 0.000 0.206 368 L C 2.123 178.556 176.870 -0.729 0.000 1.074 368 L CA 1.987 56.218 54.840 -1.014 0.000 0.745 368 L CB -0.859 40.799 42.059 -0.669 0.000 0.898 368 L HN 0.088 nan 8.230 nan 0.000 0.433 369 T N -0.377 113.896 114.554 -0.469 0.000 2.759 369 T HA -0.210 4.138 4.350 -0.003 0.000 0.269 369 T C 1.667 176.134 174.700 -0.388 0.000 1.042 369 T CA 1.880 63.783 62.100 -0.328 0.000 1.140 369 T CB -0.293 68.553 68.868 -0.036 0.000 0.864 369 T HN 0.503 nan 8.240 nan 0.000 0.455 370 E N 1.041 120.985 120.200 -0.427 0.000 2.072 370 E HA 0.004 4.352 4.350 -0.003 0.000 0.191 370 E C 2.614 178.814 176.600 -0.668 0.000 0.985 370 E CA 0.896 57.058 56.400 -0.396 0.000 0.801 370 E CB -0.244 29.310 29.700 -0.243 0.000 0.750 370 E HN 0.488 nan 8.360 nan 0.000 0.452 371 A N 1.062 123.204 122.820 -1.129 0.000 1.902 371 A HA -0.163 4.155 4.320 -0.003 0.000 0.217 371 A C 2.522 179.716 177.584 -0.650 0.000 1.181 371 A CA 1.209 52.558 52.037 -1.146 0.000 0.623 371 A CB -0.819 17.500 19.000 -1.134 0.000 0.818 371 A HN 0.125 nan 8.150 nan 0.000 0.443 372 V N -0.354 119.163 119.914 -0.661 0.000 2.282 372 V HA -0.326 3.792 4.120 -0.003 0.000 0.249 372 V C 2.787 178.628 176.094 -0.423 0.000 1.057 372 V CA 2.514 64.389 62.300 -0.709 0.000 1.032 372 V CB -0.713 30.520 31.823 -0.983 0.000 0.645 372 V HN 0.621 nan 8.190 nan 0.000 0.447 373 Q N -0.202 119.395 119.800 -0.337 0.000 2.124 373 Q HA -0.171 4.167 4.340 -0.003 0.000 0.202 373 Q C 2.296 178.227 176.000 -0.114 0.000 0.977 373 Q CA 1.594 57.296 55.803 -0.170 0.000 0.850 373 Q CB -0.396 28.270 28.738 -0.119 0.000 0.901 373 Q HN 0.498 nan 8.270 nan 0.000 0.429 374 K N 0.295 120.597 120.400 -0.165 0.000 2.025 374 K HA -0.095 4.224 4.320 -0.003 0.000 0.207 374 K C 1.913 178.455 176.600 -0.098 0.000 1.049 374 K CA 1.171 57.410 56.287 -0.080 0.000 0.933 374 K CB -0.316 32.172 32.500 -0.021 0.000 0.714 374 K HN 0.289 nan 8.250 nan 0.000 0.438 375 I N 1.185 121.639 120.570 -0.194 0.000 2.286 375 I HA -0.245 3.924 4.170 -0.003 0.000 0.248 375 I C 2.194 178.317 176.117 0.011 0.000 1.115 375 I CA 1.344 62.534 61.300 -0.183 0.000 1.392 375 I CB -0.274 37.599 38.000 -0.212 0.000 1.065 375 I HN 0.170 nan 8.210 nan 0.000 0.418 376 T N -0.218 114.384 114.554 0.081 0.000 2.737 376 T HA -0.154 4.195 4.350 -0.003 0.000 0.265 376 T C 1.934 176.667 174.700 0.055 0.000 1.038 376 T CA 2.035 64.207 62.100 0.120 0.000 1.144 376 T CB -0.371 68.573 68.868 0.127 0.000 0.866 376 T HN 0.356 nan 8.240 nan 0.000 0.434 377 T N 1.708 116.278 114.554 0.027 0.000 2.759 377 T HA -0.146 4.203 4.350 -0.003 0.000 0.269 377 T C 1.894 176.593 174.700 -0.003 0.000 1.042 377 T CA 1.519 63.630 62.100 0.018 0.000 1.140 377 T CB -0.283 68.596 68.868 0.017 0.000 0.864 377 T HN 0.568 nan 8.240 nan 0.000 0.455 378 E N 0.582 120.773 120.200 -0.014 0.000 2.150 378 E HA -0.108 4.241 4.350 -0.003 0.000 0.193 378 E C 2.217 178.754 176.600 -0.105 0.000 0.985 378 E CA 1.042 57.410 56.400 -0.054 0.000 0.814 378 E CB -0.038 29.643 29.700 -0.031 0.000 0.752 378 E HN 0.339 nan 8.360 nan 0.000 0.466 379 S N 0.548 116.251 115.700 0.005 0.000 2.357 379 S HA -0.092 4.376 4.470 -0.003 0.000 0.221 379 S C 1.877 176.497 174.600 0.033 0.000 1.031 379 S CA 0.837 59.110 58.200 0.121 0.000 0.982 379 S CB -0.128 63.206 63.200 0.223 0.000 0.853 379 S HN 0.302 nan 8.310 nan 0.000 0.458 380 I N 1.675 122.260 120.570 0.025 0.000 2.113 380 I HA -0.177 3.992 4.170 -0.003 0.000 0.242 380 I C 2.307 178.395 176.117 -0.050 0.000 1.064 380 I CA 1.355 62.662 61.300 0.011 0.000 1.320 380 I CB -1.719 36.294 38.000 0.022 0.000 1.028 380 I HN 0.152 nan 8.210 nan 0.000 0.406 381 V N 1.050 120.911 119.914 -0.089 0.000 2.295 381 V HA -0.248 3.871 4.120 -0.003 0.000 0.246 381 V C 2.479 178.420 176.094 -0.255 0.000 1.049 381 V CA 1.800 64.023 62.300 -0.128 0.000 1.024 381 V CB -0.286 31.473 31.823 -0.108 0.000 0.648 381 V HN 0.300 nan 8.190 nan 0.000 0.447 382 I N -1.882 118.404 120.570 -0.473 0.000 2.400 382 I HA -0.132 4.037 4.170 -0.003 0.000 0.248 382 I C 1.956 177.515 176.117 -0.930 0.000 1.109 382 I CA 1.392 62.168 61.300 -0.873 0.000 1.425 382 I CB -0.170 36.877 38.000 -1.589 0.000 1.094 382 I HN 0.421 nan 8.210 nan 0.000 0.425 383 W N 0.097 121.237 121.300 -0.267 0.000 2.871 383 W HA 0.363 5.021 4.660 -0.003 0.000 0.340 383 W C 1.395 177.804 176.519 -0.183 0.000 1.058 383 W CA 0.585 57.690 57.345 -0.399 0.000 1.633 383 W CB -0.048 29.022 29.460 -0.651 0.000 1.067 383 W HN 0.302 nan 8.180 nan 0.000 0.554 384 G N 2.395 111.220 108.800 0.041 0.000 2.148 384 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.254 384 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.254 384 G C 0.169 175.121 174.900 0.087 0.000 0.981 384 G CA 0.911 46.045 45.100 0.057 0.000 0.670 384 G HN 0.337 nan 8.290 nan 0.000 0.528 385 K N -1.053 119.415 120.400 0.113 0.000 2.556 385 K HA 0.685 5.004 4.320 -0.003 0.000 0.274 385 K C -0.131 176.516 176.600 0.079 0.000 0.966 385 K CA -0.395 55.946 56.287 0.090 0.000 0.865 385 K CB 0.878 33.430 32.500 0.088 0.000 1.444 385 K HN 0.505 nan 8.250 nan 0.000 0.433 386 T N -0.228 114.356 114.554 0.051 0.000 2.919 386 T HA 0.318 4.667 4.350 -0.003 0.000 0.302 386 T C -1.844 172.811 174.700 -0.075 0.000 1.031 386 T CA -1.083 61.031 62.100 0.023 0.000 1.127 386 T CB 0.384 69.290 68.868 0.064 0.000 0.952 386 T HN 0.460 nan 8.240 nan 0.000 0.540 387 P HA 0.361 nan 4.420 nan 0.000 0.276 387 P C -0.718 176.297 177.300 -0.475 0.000 1.244 387 P CA -0.747 62.093 63.100 -0.434 0.000 0.801 387 P CB 0.658 31.955 31.700 -0.672 0.000 1.006 388 K N 1.363 121.532 120.400 -0.385 0.000 2.297 388 K HA 0.363 4.682 4.320 -0.003 0.000 0.286 388 K C -0.395 176.002 176.600 -0.337 0.000 1.053 388 K CA -0.019 56.114 56.287 -0.256 0.000 0.940 388 K CB -0.168 32.232 32.500 -0.166 0.000 1.019 388 K HN 0.279 nan 8.250 nan 0.000 0.475 389 F N 2.037 121.949 119.950 -0.065 0.000 2.377 389 F HA 0.391 4.918 4.527 -0.001 0.000 0.328 389 F C 0.458 176.264 175.800 0.010 0.000 1.094 389 F CA -0.360 57.607 58.000 -0.055 0.000 1.093 389 F CB 1.346 40.296 39.000 -0.084 0.000 1.214 389 F HN 0.141 nan 8.300 nan 0.000 0.518 390 K N 3.727 124.268 120.400 0.234 0.000 2.613 390 K HA 0.512 4.830 4.320 -0.003 0.000 0.248 390 K C -1.519 175.167 176.600 0.142 0.000 0.959 390 K CA -0.374 56.013 56.287 0.168 0.000 0.855 390 K CB 1.642 34.201 32.500 0.098 0.000 1.143 390 K HN 0.462 nan 8.250 nan 0.000 0.437 391 L N 3.588 124.905 121.223 0.156 0.000 2.333 391 L HA 0.544 4.882 4.340 -0.003 0.000 0.269 391 L C -2.041 174.873 176.870 0.074 0.000 1.010 391 L CA -2.230 52.638 54.840 0.047 0.000 0.818 391 L CB 2.036 43.975 42.059 -0.200 0.000 1.306 391 L HN 0.395 nan 8.230 nan 0.000 0.430 392 P HA 0.244 nan 4.420 nan 0.000 0.214 392 P C -0.672 176.794 177.300 0.277 0.000 1.807 392 P CA 0.320 63.484 63.100 0.107 0.000 0.921 392 P CB 0.268 32.031 31.700 0.106 0.000 1.835 393 I N -0.214 120.628 120.570 0.453 0.000 2.722 393 I HA 0.218 4.386 4.170 -0.003 0.000 0.292 393 I C -0.954 175.511 176.117 0.580 0.000 1.267 393 I CA -0.884 60.661 61.300 0.408 0.000 1.036 393 I CB 2.714 40.810 38.000 0.160 0.000 1.281 393 I HN -0.177 nan 8.210 nan 0.000 0.423 394 Q N 6.274 126.193 119.800 0.199 0.000 2.373 394 Q HA 0.200 4.539 4.340 -0.003 0.000 0.255 394 Q C 0.451 176.613 176.000 0.270 0.000 0.980 394 Q CA -0.480 55.275 55.803 -0.080 0.000 0.882 394 Q CB 0.974 29.554 28.738 -0.263 0.000 1.249 394 Q HN 0.524 nan 8.270 nan 0.000 0.438 395 K N 1.768 122.281 120.400 0.188 0.000 2.211 395 K HA -0.214 4.104 4.320 -0.003 0.000 0.204 395 K C 1.530 178.332 176.600 0.336 0.000 1.047 395 K CA 1.263 57.718 56.287 0.280 0.000 0.935 395 K CB 0.139 32.605 32.500 -0.057 0.000 0.728 395 K HN 0.708 nan 8.250 nan 0.000 0.452 396 E N 0.564 120.870 120.200 0.176 0.000 2.112 396 E HA -0.088 4.261 4.350 -0.003 0.000 0.190 396 E C 1.346 178.051 176.600 0.175 0.000 0.979 396 E CA 1.026 57.515 56.400 0.149 0.000 0.814 396 E CB 0.182 29.911 29.700 0.048 0.000 0.762 396 E HN 0.150 nan 8.360 nan 0.000 0.460 397 T N 1.001 115.655 114.554 0.167 0.000 2.746 397 T HA -0.170 4.179 4.350 -0.003 0.000 0.267 397 T C 1.257 176.116 174.700 0.264 0.000 1.039 397 T CA 1.236 63.430 62.100 0.157 0.000 1.142 397 T CB -0.383 68.551 68.868 0.110 0.000 0.866 397 T HN 0.457 nan 8.240 nan 0.000 0.444 398 W N 2.184 123.601 121.300 0.195 0.000 2.453 398 W HA 0.034 4.693 4.660 -0.001 0.000 0.289 398 W C 1.933 178.678 176.519 0.377 0.000 1.215 398 W CA 0.870 58.361 57.345 0.242 0.000 1.297 398 W CB -0.242 29.360 29.460 0.237 0.000 1.113 398 W HN 0.347 nan 8.180 nan 0.000 0.551 399 E N 0.034 120.543 120.200 0.515 0.000 2.051 399 E HA -0.195 4.154 4.350 -0.003 0.000 0.192 399 E C 2.024 178.747 176.600 0.205 0.000 0.991 399 E CA 2.240 58.944 56.400 0.506 0.000 0.799 399 E CB -0.222 29.750 29.700 0.453 0.000 0.748 399 E HN 0.025 nan 8.360 nan 0.000 0.449 400 T N 0.974 115.604 114.554 0.127 0.000 2.720 400 T HA -0.194 4.155 4.350 -0.003 0.000 0.268 400 T C 1.218 175.897 174.700 -0.035 0.000 1.037 400 T CA 1.324 63.433 62.100 0.016 0.000 1.144 400 T CB -0.439 68.458 68.868 0.048 0.000 0.864 400 T HN 0.449 nan 8.240 nan 0.000 0.444 401 W N 0.620 121.823 121.300 -0.162 0.000 2.354 401 W HA -0.168 4.490 4.660 -0.002 0.000 0.315 401 W C 2.237 178.604 176.519 -0.253 0.000 1.206 401 W CA 1.341 58.541 57.345 -0.241 0.000 1.290 401 W CB -0.678 28.591 29.460 -0.318 0.000 1.152 401 W HN 0.438 nan 8.180 nan 0.000 0.489 402 W N 2.962 123.987 121.300 -0.458 0.000 2.317 402 W HA -0.297 4.362 4.660 -0.002 0.000 0.318 402 W C 2.608 178.931 176.519 -0.328 0.000 1.227 402 W CA 3.959 61.016 57.345 -0.480 0.000 1.269 402 W CB -1.082 28.111 29.460 -0.445 0.000 1.155 402 W HN -0.090 nan 8.180 nan 0.000 0.484 403 T N -1.347 112.522 114.554 -1.142 0.000 2.833 403 T HA -0.195 4.154 4.350 -0.003 0.000 0.269 403 T C 1.454 175.757 174.700 -0.662 0.000 1.054 403 T CA 1.788 63.092 62.100 -1.326 0.000 1.135 403 T CB -0.569 67.612 68.868 -1.144 0.000 0.869 403 T HN 0.477 nan 8.240 nan 0.000 0.466 404 E N -0.594 119.296 120.200 -0.517 0.000 2.447 404 E HA 0.145 4.493 4.350 -0.003 0.000 0.195 404 E C -0.308 176.078 176.600 -0.356 0.000 1.028 404 E CA -0.307 55.875 56.400 -0.362 0.000 0.876 404 E CB 0.183 29.716 29.700 -0.279 0.000 0.885 404 E HN 0.539 nan 8.360 nan 0.000 0.500 405 Y N 1.128 120.986 120.300 -0.737 0.000 2.301 405 Y HA -0.022 4.526 4.550 -0.003 0.000 0.325 405 Y C 0.908 176.532 175.900 -0.460 0.000 1.203 405 Y CA -1.385 56.208 58.100 -0.846 0.000 1.255 405 Y CB 0.439 38.076 38.460 -1.371 0.000 1.232 405 Y HN 0.021 nan 8.280 nan 0.000 0.501 406 W N 1.658 122.468 121.300 -0.817 0.000 2.436 406 W HA 0.019 4.678 4.660 -0.002 0.000 0.284 406 W C -0.086 176.142 176.519 -0.486 0.000 1.225 406 W CA 0.013 57.024 57.345 -0.556 0.000 1.271 406 W CB -0.610 28.567 29.460 -0.472 0.000 1.114 406 W HN 0.395 nan 8.180 nan 0.000 0.559 407 Q N 1.199 120.479 119.800 -0.867 0.000 2.373 407 Q HA 0.380 4.718 4.340 -0.003 0.000 0.255 407 Q C 0.224 176.160 176.000 -0.106 0.000 0.980 407 Q CA 0.098 55.681 55.803 -0.366 0.000 0.882 407 Q CB 1.149 29.634 28.738 -0.421 0.000 1.249 407 Q HN 0.030 nan 8.270 nan 0.000 0.438 408 A N 1.855 124.684 122.820 0.015 0.000 2.425 408 A HA 0.461 4.779 4.320 -0.003 0.000 0.249 408 A C 0.305 177.972 177.584 0.139 0.000 1.084 408 A CA 0.233 52.328 52.037 0.096 0.000 0.781 408 A CB 0.621 19.668 19.000 0.080 0.000 1.019 408 A HN 0.657 nan 8.150 nan 0.000 0.490 409 T N 1.386 116.066 114.554 0.209 0.000 2.762 409 T HA 0.646 4.995 4.350 -0.003 0.000 0.301 409 T C -2.164 172.752 174.700 0.361 0.000 1.299 409 T CA -0.338 61.907 62.100 0.241 0.000 1.005 409 T CB 1.196 70.192 68.868 0.212 0.000 1.377 409 T HN 1.379 nan 8.240 nan 0.000 0.504 410 W N 3.846 125.227 121.300 0.135 0.000 4.198 410 W HA 0.434 5.093 4.660 -0.003 0.000 0.255 410 W C -2.582 173.970 176.519 0.056 0.000 1.304 410 W CA -0.988 56.420 57.345 0.105 0.000 1.276 410 W CB 0.194 29.663 29.460 0.014 0.000 1.190 410 W HN 0.867 nan 8.180 nan 0.000 0.554 411 I N 3.908 124.087 120.570 -0.652 0.000 2.689 411 I HA 0.715 4.883 4.170 -0.003 0.000 0.299 411 I C -2.034 173.449 176.117 -1.057 0.000 1.059 411 I CA -2.566 58.262 61.300 -0.786 0.000 1.055 411 I CB 2.023 39.473 38.000 -0.915 0.000 1.243 411 I HN 0.037 nan 8.210 nan 0.000 0.425 412 P HA -0.012 nan 4.420 nan 0.000 0.280 412 P C -0.383 176.831 177.300 -0.143 0.000 1.278 412 P CA -0.176 62.769 63.100 -0.257 0.000 0.787 412 P CB 0.346 32.080 31.700 0.056 0.000 1.163 413 E N 0.437 120.621 120.200 -0.027 0.000 2.694 413 E HA -0.045 4.304 4.350 -0.003 0.000 0.250 413 E C -0.583 176.088 176.600 0.119 0.000 0.963 413 E CA 0.236 56.628 56.400 -0.013 0.000 0.949 413 E CB -0.004 29.690 29.700 -0.011 0.000 0.911 413 E HN 0.335 nan 8.360 nan 0.000 0.500 414 W N 3.572 124.767 121.300 -0.176 0.000 3.047 414 W HA 0.546 5.204 4.660 -0.003 0.000 0.341 414 W C -1.265 175.188 176.519 -0.111 0.000 1.225 414 W CA -1.050 56.218 57.345 -0.128 0.000 1.150 414 W CB 0.358 29.680 29.460 -0.231 0.000 1.470 414 W HN 0.562 nan 8.180 nan 0.000 0.578 415 E N 0.765 120.964 120.200 -0.002 0.000 2.433 415 E HA 0.548 4.896 4.350 -0.003 0.000 0.278 415 E C -2.052 174.646 176.600 0.163 0.000 0.976 415 E CA -0.855 55.435 56.400 -0.183 0.000 0.793 415 E CB 2.874 32.512 29.700 -0.102 0.000 1.311 415 E HN 0.248 nan 8.360 nan 0.000 0.460 416 F N 2.110 122.043 119.950 -0.029 0.000 2.418 416 F HA 0.494 5.020 4.527 -0.002 0.000 0.341 416 F C -0.896 174.970 175.800 0.110 0.000 1.120 416 F CA -0.343 57.742 58.000 0.142 0.000 1.232 416 F CB 1.485 40.532 39.000 0.078 0.000 1.175 416 F HN 0.298 nan 8.300 nan 0.000 0.569 417 V N 6.742 126.143 119.914 -0.855 0.000 2.668 417 V HA 0.309 4.427 4.120 -0.003 0.000 0.304 417 V C -0.962 174.573 176.094 -0.932 0.000 1.071 417 V CA -0.841 61.041 62.300 -0.697 0.000 0.894 417 V CB 1.531 33.222 31.823 -0.220 0.000 1.008 417 V HN 0.847 nan 8.190 nan 0.000 0.425 418 N N 4.238 122.520 118.700 -0.698 0.000 3.178 418 N HA 0.185 4.924 4.740 -0.003 0.000 0.300 418 N C -0.254 175.170 175.510 -0.142 0.000 1.242 418 N CA 0.115 52.953 53.050 -0.353 0.000 1.192 418 N CB 0.036 38.495 38.487 -0.047 0.000 1.463 418 N HN 0.750 nan 8.380 nan 0.000 0.539 419 T N 3.934 118.410 114.554 -0.130 0.000 3.149 419 T HA 0.286 4.634 4.350 -0.003 0.000 0.373 419 T C -2.339 172.354 174.700 -0.012 0.000 1.364 419 T CA -1.181 60.886 62.100 -0.056 0.000 1.110 419 T CB 1.291 70.131 68.868 -0.047 0.000 1.127 419 T HN 0.317 nan 8.240 nan 0.000 0.576 420 P HA 0.213 nan 4.420 nan 0.000 0.270 420 P C -2.535 174.769 177.300 0.006 0.000 1.223 420 P CA -1.326 61.790 63.100 0.027 0.000 0.785 420 P CB -0.310 31.410 31.700 0.033 0.000 0.923 421 P HA 0.183 nan 4.420 nan 0.000 0.276 421 P C -0.169 177.176 177.300 0.076 0.000 1.243 421 P CA 0.119 63.246 63.100 0.044 0.000 0.768 421 P CB 0.459 32.179 31.700 0.034 0.000 0.856 422 L N 2.962 124.248 121.223 0.104 0.000 2.439 422 L HA 0.213 4.552 4.340 -0.003 0.000 0.269 422 L C 1.077 178.033 176.870 0.144 0.000 1.179 422 L CA -0.734 54.193 54.840 0.145 0.000 0.828 422 L CB 0.759 42.920 42.059 0.169 0.000 1.106 422 L HN 0.208 nan 8.230 nan 0.000 0.467 423 V N 4.445 124.461 119.914 0.169 0.000 2.461 423 V HA 0.341 4.460 4.120 -0.003 0.000 0.275 423 V C -0.059 176.072 176.094 0.062 0.000 1.047 423 V CA -0.232 62.164 62.300 0.160 0.000 0.955 423 V CB 0.835 32.771 31.823 0.189 0.000 0.988 423 V HN 0.898 nan 8.190 nan 0.000 0.471 424 K N 5.763 126.152 120.400 -0.019 0.000 2.466 424 K HA 0.638 4.957 4.320 -0.003 0.000 0.260 424 K C -1.514 174.962 176.600 -0.206 0.000 1.011 424 K CA -1.099 55.078 56.287 -0.182 0.000 0.871 424 K CB 2.125 34.381 32.500 -0.406 0.000 1.404 424 K HN 0.541 nan 8.250 nan 0.000 0.450 425 L N 1.765 122.865 121.223 -0.205 0.000 2.265 425 L HA 0.260 4.599 4.340 -0.003 0.000 0.288 425 L C -0.138 176.623 176.870 -0.181 0.000 1.058 425 L CA -0.584 54.171 54.840 -0.141 0.000 0.809 425 L CB 0.487 42.502 42.059 -0.074 0.000 1.179 425 L HN 0.704 nan 8.230 nan 0.000 0.429 426 W N 3.484 124.749 121.300 -0.059 0.000 3.139 426 W HA 0.058 4.716 4.660 -0.003 0.000 0.260 426 W C -0.056 176.581 176.519 0.197 0.000 1.312 426 W CA -0.075 57.311 57.345 0.069 0.000 1.606 426 W CB 0.079 29.612 29.460 0.122 0.000 1.118 426 W HN 0.481 nan 8.180 nan 0.000 0.675 427 Y N -2.673 117.743 120.300 0.193 0.000 2.687 427 Y HA 0.462 5.010 4.550 -0.002 0.000 0.338 427 Y C -1.208 174.760 175.900 0.113 0.000 1.189 427 Y CA -1.967 56.212 58.100 0.132 0.000 1.097 427 Y CB 0.292 38.833 38.460 0.135 0.000 1.342 427 Y HN -0.267 nan 8.280 nan 0.000 0.461 428 Q N 2.942 122.866 119.800 0.206 0.000 2.323 428 Q HA 0.524 4.863 4.340 -0.003 0.000 0.271 428 Q C -1.291 174.837 176.000 0.213 0.000 1.048 428 Q CA -0.926 54.945 55.803 0.114 0.000 0.792 428 Q CB 3.447 32.227 28.738 0.070 0.000 1.280 428 Q HN 0.799 nan 8.270 nan 0.000 0.441 429 L N 1.945 123.284 121.223 0.195 0.000 2.371 429 L HA 0.218 4.556 4.340 -0.003 0.000 0.272 429 L C 0.901 177.860 176.870 0.149 0.000 1.124 429 L CA -0.498 54.452 54.840 0.183 0.000 0.816 429 L CB 0.503 42.654 42.059 0.153 0.000 1.129 429 L HN 0.407 nan 8.230 nan 0.000 0.448 430 E N 2.273 122.580 120.200 0.179 0.000 2.422 430 E HA -0.021 4.327 4.350 -0.003 0.000 0.260 430 E C 0.186 176.940 176.600 0.258 0.000 1.108 430 E CA 0.229 56.745 56.400 0.193 0.000 0.943 430 E CB 0.876 30.701 29.700 0.207 0.000 0.961 430 E HN 0.449 nan 8.360 nan 0.000 0.443 431 K N 0.768 121.273 120.400 0.176 0.000 2.354 431 K HA 0.086 4.404 4.320 -0.003 0.000 0.194 431 K C 0.136 176.839 176.600 0.171 0.000 1.038 431 K CA 0.224 56.616 56.287 0.175 0.000 1.052 431 K CB 0.565 33.109 32.500 0.074 0.000 0.861 431 K HN 0.291 nan 8.250 nan 0.000 0.535 432 E N -0.133 120.062 120.200 -0.008 0.000 2.392 432 E HA 0.292 4.641 4.350 -0.003 0.000 0.269 432 E C -2.837 173.223 176.600 -0.899 0.000 0.924 432 E CA -2.567 53.634 56.400 -0.331 0.000 0.784 432 E CB 1.765 31.356 29.700 -0.182 0.000 1.292 432 E HN -0.270 nan 8.360 nan 0.000 0.447 433 P HA 0.067 nan 4.420 nan 0.000 0.267 433 P C -0.684 176.383 177.300 -0.389 0.000 1.201 433 P CA 0.411 62.949 63.100 -0.937 0.000 0.775 433 P CB 0.325 31.729 31.700 -0.495 0.000 0.854 434 I N 1.557 122.006 120.570 -0.201 0.000 2.331 434 I HA 0.163 4.332 4.170 -0.003 0.000 0.292 434 I C 0.186 176.269 176.117 -0.056 0.000 0.998 434 I CA -0.902 60.347 61.300 -0.086 0.000 1.267 434 I CB 1.206 39.196 38.000 -0.017 0.000 1.386 434 I HN -0.003 nan 8.210 nan 0.000 0.476 435 V N 6.027 125.913 119.914 -0.047 0.000 2.572 435 V HA 0.264 4.382 4.120 -0.003 0.000 0.291 435 V C 1.149 177.236 176.094 -0.011 0.000 1.039 435 V CA 0.761 63.043 62.300 -0.029 0.000 1.055 435 V CB 0.746 32.553 31.823 -0.027 0.000 0.969 435 V HN 1.126 nan 8.190 nan 0.000 0.482 436 G N 4.106 112.905 108.800 -0.003 0.000 2.198 436 G HA2 -0.031 3.928 3.960 -0.003 0.000 0.257 436 G HA3 -0.031 3.928 3.960 -0.003 0.000 0.257 436 G C 0.127 175.037 174.900 0.016 0.000 1.042 436 G CA 0.159 45.263 45.100 0.006 0.000 0.791 436 G HN 1.536 nan 8.290 nan 0.000 0.502 437 A N -0.442 122.391 122.820 0.022 0.000 2.342 437 A HA 0.769 5.087 4.320 -0.003 0.000 0.323 437 A C 0.224 177.847 177.584 0.065 0.000 1.125 437 A CA -0.187 51.876 52.037 0.043 0.000 0.785 437 A CB 0.976 20.001 19.000 0.042 0.000 1.221 437 A HN 0.518 nan 8.150 nan 0.000 0.463 438 E N 1.173 121.432 120.200 0.098 0.000 2.529 438 E HA 0.096 4.445 4.350 -0.003 0.000 0.259 438 E C -0.514 176.185 176.600 0.164 0.000 0.966 438 E CA 0.512 56.974 56.400 0.105 0.000 0.937 438 E CB 0.376 30.167 29.700 0.152 0.000 0.923 438 E HN 0.539 nan 8.360 nan 0.000 0.468 439 T N 5.652 120.250 114.554 0.073 0.000 2.747 439 T HA 0.209 4.557 4.350 -0.003 0.000 0.301 439 T C -0.658 174.061 174.700 0.032 0.000 0.952 439 T CA -0.330 61.810 62.100 0.067 0.000 0.983 439 T CB -0.181 68.700 68.868 0.022 0.000 0.930 439 T HN 0.209 nan 8.240 nan 0.000 0.494 440 F N 3.158 123.032 119.950 -0.128 0.000 2.421 440 F HA 0.314 4.840 4.527 -0.002 0.000 0.358 440 F C 0.196 175.944 175.800 -0.088 0.000 1.115 440 F CA -1.254 56.674 58.000 -0.120 0.000 1.160 440 F CB 0.192 39.037 39.000 -0.258 0.000 1.123 440 F HN 0.508 nan 8.300 nan 0.000 0.508 441 Y N 3.448 123.805 120.300 0.096 0.000 2.477 441 Y HA 0.428 4.977 4.550 -0.002 0.000 0.349 441 Y C 0.317 176.303 175.900 0.142 0.000 0.977 441 Y CA -0.894 57.257 58.100 0.085 0.000 1.214 441 Y CB 0.591 39.069 38.460 0.030 0.000 1.124 441 Y HN 0.399 nan 8.280 nan 0.000 0.521 442 V N -0.069 119.988 119.914 0.237 0.000 2.966 442 V HA 0.803 4.922 4.120 -0.003 0.000 0.317 442 V C -0.666 175.523 176.094 0.157 0.000 1.070 442 V CA -0.487 61.957 62.300 0.241 0.000 1.008 442 V CB 2.180 34.124 31.823 0.202 0.000 1.070 442 V HN 0.579 nan 8.190 nan 0.000 0.457 443 D N -0.200 120.284 120.400 0.140 0.000 2.648 443 D HA 0.714 5.352 4.640 -0.003 0.000 0.244 443 D C -0.496 175.855 176.300 0.084 0.000 1.244 443 D CA 0.486 54.540 54.000 0.089 0.000 0.772 443 D CB 2.140 42.973 40.800 0.056 0.000 1.379 443 D HN 1.158 nan 8.370 nan 0.000 0.428 444 G N -0.582 108.261 108.800 0.073 0.000 2.642 444 G HA2 0.913 4.872 3.960 -0.003 0.000 0.293 444 G HA3 0.913 4.872 3.960 -0.003 0.000 0.293 444 G C -1.583 173.351 174.900 0.057 0.000 1.341 444 G CA -0.243 44.898 45.100 0.069 0.000 0.916 444 G HN 0.674 nan 8.290 nan 0.000 0.474 445 A N -1.145 121.705 122.820 0.051 0.000 2.594 445 A HA 0.973 5.292 4.320 -0.003 0.000 0.296 445 A C -0.831 176.776 177.584 0.038 0.000 1.061 445 A CA 0.089 52.154 52.037 0.046 0.000 0.689 445 A CB 1.322 20.349 19.000 0.045 0.000 1.280 445 A HN 2.436 nan 8.150 nan 0.000 0.406 446 A N 1.450 124.291 122.820 0.035 0.000 2.488 446 A HA 0.713 5.032 4.320 -0.003 0.000 0.298 446 A C -1.019 176.578 177.584 0.022 0.000 1.044 446 A CA -0.588 51.465 52.037 0.026 0.000 0.693 446 A CB 1.234 20.247 19.000 0.022 0.000 1.272 446 A HN 0.955 nan 8.150 nan 0.000 0.402 447 N N 1.196 119.906 118.700 0.018 0.000 2.422 447 N HA 0.164 4.902 4.740 -0.003 0.000 0.264 447 N C 0.774 176.290 175.510 0.011 0.000 1.063 447 N CA -0.217 52.842 53.050 0.014 0.000 0.959 447 N CB 1.178 39.672 38.487 0.012 0.000 1.087 447 N HN 0.623 nan 8.380 nan 0.000 0.483 448 R N 2.581 123.086 120.500 0.009 0.000 2.120 448 R HA -0.093 4.245 4.340 -0.003 0.000 0.234 448 R C 1.051 177.354 176.300 0.005 0.000 1.123 448 R CA 1.641 57.745 56.100 0.006 0.000 0.975 448 R CB 0.157 30.460 30.300 0.005 0.000 0.866 448 R HN 0.635 nan 8.270 nan 0.000 0.446 449 E N -1.773 118.430 120.200 0.005 0.000 2.075 449 E HA 0.025 4.373 4.350 -0.003 0.000 0.190 449 E C 1.851 178.454 176.600 0.005 0.000 0.969 449 E CA 1.430 57.833 56.400 0.005 0.000 0.815 449 E CB -0.116 29.586 29.700 0.004 0.000 0.776 449 E HN 0.137 nan 8.360 nan 0.000 0.457 450 T N 0.760 115.318 114.554 0.006 0.000 2.777 450 T HA -0.089 4.260 4.350 -0.003 0.000 0.266 450 T C 0.514 175.218 174.700 0.008 0.000 1.040 450 T CA 1.247 63.351 62.100 0.007 0.000 1.141 450 T CB -0.021 68.852 68.868 0.008 0.000 0.868 450 T HN 0.001 nan 8.240 nan 0.000 0.444 451 K N -0.796 119.609 120.400 0.009 0.000 3.446 451 K HA -0.137 4.182 4.320 -0.003 0.000 0.312 451 K C -0.243 176.364 176.600 0.012 0.000 1.329 451 K CA 0.189 56.482 56.287 0.010 0.000 0.935 451 K CB -2.127 30.378 32.500 0.009 0.000 1.281 451 K HN 0.378 nan 8.250 nan 0.000 0.457 452 L N 0.761 121.992 121.223 0.012 0.000 2.350 452 L HA 0.587 4.925 4.340 -0.003 0.000 0.275 452 L C 0.629 177.509 176.870 0.017 0.000 1.099 452 L CA 0.415 55.263 54.840 0.014 0.000 0.808 452 L CB 1.402 43.468 42.059 0.011 0.000 1.149 452 L HN 0.218 nan 8.230 nan 0.000 0.442 453 G N 3.784 112.596 108.800 0.020 0.000 2.542 453 G HA2 0.511 4.469 3.960 -0.003 0.000 0.311 453 G HA3 0.511 4.469 3.960 -0.003 0.000 0.311 453 G C -1.347 173.567 174.900 0.024 0.000 1.298 453 G CA -0.664 44.451 45.100 0.024 0.000 0.973 453 G HN 0.440 nan 8.290 nan 0.000 0.487 454 K N 0.016 120.431 120.400 0.025 0.000 2.259 454 K HA 0.775 5.093 4.320 -0.003 0.000 0.249 454 K C -0.809 175.809 176.600 0.031 0.000 0.942 454 K CA -0.746 55.553 56.287 0.021 0.000 0.816 454 K CB 2.599 35.107 32.500 0.013 0.000 1.155 454 K HN 0.678 nan 8.250 nan 0.000 0.428 455 A N 1.037 123.874 122.820 0.028 0.000 2.459 455 A HA 0.808 5.126 4.320 -0.003 0.000 0.296 455 A C -0.557 177.041 177.584 0.024 0.000 1.039 455 A CA -0.338 51.726 52.037 0.046 0.000 0.698 455 A CB 1.938 20.979 19.000 0.070 0.000 1.261 455 A HN 0.771 nan 8.150 nan 0.000 0.405 456 G N -0.010 108.814 108.800 0.040 0.000 2.650 456 G HA2 0.803 4.762 3.960 -0.003 0.000 0.310 456 G HA3 0.803 4.762 3.960 -0.003 0.000 0.310 456 G C -1.389 173.578 174.900 0.112 0.000 1.270 456 G CA 0.234 45.316 45.100 -0.030 0.000 0.810 456 G HN 2.097 nan 8.290 nan 0.000 0.493 457 Y N -2.832 117.521 120.300 0.088 0.000 2.702 457 Y HA 0.757 5.305 4.550 -0.002 0.000 0.336 457 Y C -1.325 174.605 175.900 0.050 0.000 1.203 457 Y CA -1.602 56.566 58.100 0.113 0.000 1.072 457 Y CB 0.775 39.370 38.460 0.225 0.000 1.327 457 Y HN 0.651 nan 8.280 nan 0.000 0.456 458 V N 1.624 121.762 119.914 0.373 0.000 2.960 458 V HA 0.876 4.995 4.120 -0.003 0.000 0.315 458 V C -0.252 175.911 176.094 0.115 0.000 1.087 458 V CA -0.147 62.279 62.300 0.211 0.000 0.982 458 V CB 2.066 33.924 31.823 0.057 0.000 1.039 458 V HN 1.163 nan 8.190 nan 0.000 0.437 459 T N -1.293 113.232 114.554 -0.048 0.000 2.916 459 T HA 0.324 4.672 4.350 -0.003 0.000 0.292 459 T C 0.665 175.322 174.700 -0.071 0.000 1.064 459 T CA -0.468 61.513 62.100 -0.198 0.000 1.011 459 T CB 1.687 70.213 68.868 -0.571 0.000 1.152 459 T HN 0.683 nan 8.240 nan 0.000 0.510 460 N N 0.828 119.513 118.700 -0.025 0.000 2.457 460 N HA -0.076 4.662 4.740 -0.003 0.000 0.180 460 N C 1.066 176.558 175.510 -0.030 0.000 1.050 460 N CA 0.253 53.306 53.050 0.006 0.000 0.906 460 N CB -0.251 38.271 38.487 0.058 0.000 0.968 460 N HN 0.635 nan 8.380 nan 0.000 0.445 461 R N -0.208 120.253 120.500 -0.065 0.000 2.363 461 R HA 0.178 4.517 4.340 -0.003 0.000 0.236 461 R C 0.770 177.038 176.300 -0.052 0.000 0.966 461 R CA 0.434 56.502 56.100 -0.054 0.000 1.100 461 R CB -0.027 30.238 30.300 -0.059 0.000 1.125 461 R HN 0.414 nan 8.270 nan 0.000 0.514 462 G N 1.165 109.932 108.800 -0.054 0.000 2.225 462 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.254 462 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.254 462 G C 0.256 175.140 174.900 -0.027 0.000 0.988 462 G CA -0.265 44.813 45.100 -0.037 0.000 0.625 462 G HN 0.288 nan 8.290 nan 0.000 0.527 463 R N 0.747 121.226 120.500 -0.035 0.000 2.679 463 R HA 0.406 4.745 4.340 -0.003 0.000 0.268 463 R C 0.196 176.540 176.300 0.073 0.000 1.044 463 R CA 0.674 56.787 56.100 0.022 0.000 1.105 463 R CB 0.169 30.487 30.300 0.030 0.000 0.989 463 R HN 0.572 nan 8.270 nan 0.000 0.447 464 Q N 1.516 121.348 119.800 0.054 0.000 2.340 464 Q HA 0.412 4.751 4.340 -0.003 0.000 0.276 464 Q C -1.316 174.552 176.000 -0.219 0.000 1.048 464 Q CA -0.865 54.907 55.803 -0.051 0.000 0.832 464 Q CB 3.303 32.009 28.738 -0.053 0.000 1.373 464 Q HN 0.413 nan 8.270 nan 0.000 0.409 465 K N 1.096 121.167 120.400 -0.548 0.000 2.570 465 K HA 0.578 4.896 4.320 -0.003 0.000 0.256 465 K C -2.238 174.079 176.600 -0.471 0.000 0.939 465 K CA -0.583 55.401 56.287 -0.504 0.000 0.833 465 K CB 2.456 34.620 32.500 -0.560 0.000 1.318 465 K HN 0.428 nan 8.250 nan 0.000 0.433 466 V N 4.982 124.756 119.914 -0.234 0.000 2.841 466 V HA 0.805 4.924 4.120 -0.003 0.000 0.310 466 V C -1.329 174.714 176.094 -0.084 0.000 1.090 466 V CA -0.303 61.910 62.300 -0.145 0.000 0.930 466 V CB 1.867 33.632 31.823 -0.095 0.000 1.014 466 V HN 0.640 nan 8.190 nan 0.000 0.425 467 V N 2.876 122.761 119.914 -0.048 0.000 3.126 467 V HA 0.840 4.959 4.120 -0.003 0.000 0.314 467 V C -0.263 175.830 176.094 -0.002 0.000 1.138 467 V CA -0.409 61.879 62.300 -0.020 0.000 1.034 467 V CB 2.055 33.875 31.823 -0.006 0.000 1.075 467 V HN 0.881 nan 8.190 nan 0.000 0.442 468 T N 2.968 117.525 114.554 0.005 0.000 2.895 468 T HA 0.806 5.154 4.350 -0.003 0.000 0.283 468 T C -0.593 174.119 174.700 0.020 0.000 1.014 468 T CA -0.351 61.755 62.100 0.012 0.000 1.037 468 T CB 1.211 70.083 68.868 0.008 0.000 1.006 468 T HN 0.693 nan 8.240 nan 0.000 0.468 469 L N 2.307 123.544 121.223 0.024 0.000 2.408 469 L HA 0.602 4.941 4.340 -0.003 0.000 0.268 469 L C 0.290 177.174 176.870 0.023 0.000 0.986 469 L CA -1.076 53.782 54.840 0.028 0.000 0.820 469 L CB 2.349 44.430 42.059 0.037 0.000 1.303 469 L HN 0.716 nan 8.230 nan 0.000 0.411 470 T N -2.251 112.316 114.554 0.022 0.000 2.829 470 T HA 0.307 4.656 4.350 -0.003 0.000 0.282 470 T C -0.093 174.617 174.700 0.018 0.000 0.990 470 T CA -0.631 61.479 62.100 0.017 0.000 1.028 470 T CB 1.555 70.432 68.868 0.015 0.000 0.951 470 T HN 0.739 nan 8.240 nan 0.000 0.460 471 D N 1.088 121.497 120.400 0.015 0.000 3.205 471 D HA -0.175 4.463 4.640 -0.003 0.000 0.227 471 D C -0.640 175.671 176.300 0.017 0.000 1.171 471 D CA 1.183 55.191 54.000 0.014 0.000 0.929 471 D CB -0.502 40.306 40.800 0.013 0.000 0.900 471 D HN 0.855 nan 8.370 nan 0.000 0.404 472 T N 0.388 114.953 114.554 0.018 0.000 2.894 472 T HA 0.544 4.893 4.350 -0.003 0.000 0.309 472 T C -0.182 174.528 174.700 0.016 0.000 1.208 472 T CA 0.105 62.217 62.100 0.021 0.000 1.016 472 T CB 1.835 70.720 68.868 0.029 0.000 1.192 472 T HN 0.264 nan 8.240 nan 0.000 0.491 473 T N 0.948 115.509 114.554 0.012 0.000 2.927 473 T HA 0.345 4.693 4.350 -0.003 0.000 0.281 473 T C 1.216 175.916 174.700 0.001 0.000 0.998 473 T CA -0.537 61.562 62.100 -0.001 0.000 1.019 473 T CB 0.887 69.743 68.868 -0.020 0.000 1.061 473 T HN 0.660 nan 8.240 nan 0.000 0.518 474 N N 0.476 119.171 118.700 -0.008 0.000 2.272 474 N HA -0.201 4.538 4.740 -0.003 0.000 0.185 474 N C 2.014 177.527 175.510 0.004 0.000 1.014 474 N CA 1.545 54.598 53.050 0.005 0.000 0.870 474 N CB -0.119 38.370 38.487 0.003 0.000 0.975 474 N HN 0.834 nan 8.380 nan 0.000 0.433 475 Q N -0.550 119.220 119.800 -0.050 0.000 2.376 475 Q HA 0.044 4.382 4.340 -0.003 0.000 0.206 475 Q C 1.460 177.511 176.000 0.085 0.000 0.921 475 Q CA 0.371 56.133 55.803 -0.069 0.000 0.911 475 Q CB 0.111 28.545 28.738 -0.507 0.000 1.032 475 Q HN 0.184 nan 8.270 nan 0.000 0.510 476 K N 1.071 121.505 120.400 0.058 0.000 2.148 476 K HA -0.078 4.241 4.320 -0.003 0.000 0.204 476 K C 2.201 178.861 176.600 0.099 0.000 1.050 476 K CA 1.790 58.135 56.287 0.096 0.000 0.942 476 K CB -0.012 32.525 32.500 0.062 0.000 0.724 476 K HN 0.474 nan 8.250 nan 0.000 0.446 477 T N -1.063 113.540 114.554 0.082 0.000 2.915 477 T HA -0.080 4.269 4.350 -0.003 0.000 0.269 477 T C 1.580 176.344 174.700 0.105 0.000 1.071 477 T CA 0.924 63.075 62.100 0.084 0.000 1.132 477 T CB -0.058 68.849 68.868 0.065 0.000 0.878 477 T HN 0.252 nan 8.240 nan 0.000 0.479 478 E N 0.318 120.594 120.200 0.128 0.000 2.216 478 E HA 0.079 4.428 4.350 -0.003 0.000 0.192 478 E C 1.782 178.467 176.600 0.141 0.000 0.988 478 E CA 0.295 56.781 56.400 0.144 0.000 0.834 478 E CB -0.063 29.748 29.700 0.185 0.000 0.772 478 E HN 0.286 nan 8.360 nan 0.000 0.479 479 L N 0.994 122.306 121.223 0.148 0.000 2.049 479 L HA -0.131 4.208 4.340 -0.003 0.000 0.203 479 L C 2.278 179.219 176.870 0.118 0.000 1.074 479 L CA 1.484 56.385 54.840 0.103 0.000 0.749 479 L CB -0.803 41.307 42.059 0.086 0.000 0.907 479 L HN 0.031 nan 8.230 nan 0.000 0.439 480 Q N -0.261 119.616 119.800 0.129 0.000 2.142 480 Q HA -0.286 4.053 4.340 -0.003 0.000 0.213 480 Q C 2.224 178.332 176.000 0.180 0.000 1.004 480 Q CA 2.214 58.117 55.803 0.167 0.000 0.883 480 Q CB -0.688 28.128 28.738 0.130 0.000 0.939 480 Q HN 0.557 nan 8.270 nan 0.000 0.413 481 A N -0.064 122.845 122.820 0.148 0.000 2.070 481 A HA -0.109 4.209 4.320 -0.003 0.000 0.220 481 A C 2.088 179.767 177.584 0.159 0.000 1.159 481 A CA 0.959 53.092 52.037 0.161 0.000 0.656 481 A CB -0.420 18.666 19.000 0.145 0.000 0.800 481 A HN 0.346 nan 8.150 nan 0.000 0.453 482 I N -2.556 118.089 120.570 0.125 0.000 2.400 482 I HA -0.116 4.053 4.170 -0.003 0.000 0.248 482 I C 2.353 178.523 176.117 0.089 0.000 1.109 482 I CA 0.834 62.178 61.300 0.073 0.000 1.425 482 I CB -0.366 37.661 38.000 0.044 0.000 1.094 482 I HN 0.430 nan 8.210 nan 0.000 0.425 483 Y N 1.642 121.931 120.300 -0.018 0.000 2.151 483 Y HA -0.288 4.261 4.550 -0.002 0.000 0.284 483 Y C 2.311 178.203 175.900 -0.014 0.000 1.166 483 Y CA 1.382 59.464 58.100 -0.029 0.000 1.163 483 Y CB -0.432 38.023 38.460 -0.008 0.000 0.974 483 Y HN 0.036 nan 8.280 nan 0.000 0.511 484 L N 0.290 121.535 121.223 0.036 0.000 1.989 484 L HA -0.163 4.176 4.340 -0.003 0.000 0.211 484 L C 2.593 179.453 176.870 -0.016 0.000 1.071 484 L CA 2.283 57.136 54.840 0.023 0.000 0.749 484 L CB -1.673 40.515 42.059 0.216 0.000 0.890 484 L HN 0.278 nan 8.230 nan 0.000 0.431 485 A N -1.223 121.554 122.820 -0.072 0.000 1.972 485 A HA -0.164 4.155 4.320 -0.003 0.000 0.219 485 A C 2.265 179.409 177.584 -0.734 0.000 1.169 485 A CA 1.722 53.425 52.037 -0.556 0.000 0.635 485 A CB -0.693 18.021 19.000 -0.477 0.000 0.810 485 A HN 0.485 nan 8.150 nan 0.000 0.446 486 L N -1.357 119.628 121.223 -0.397 0.000 2.240 486 L HA -0.137 4.202 4.340 -0.003 0.000 0.211 486 L C 2.743 179.434 176.870 -0.299 0.000 1.106 486 L CA 0.960 55.605 54.840 -0.325 0.000 0.793 486 L CB -0.351 41.616 42.059 -0.153 0.000 0.927 486 L HN 0.443 nan 8.230 nan 0.000 0.446 487 Q N -0.158 119.436 119.800 -0.343 0.000 2.083 487 Q HA -0.161 4.177 4.340 -0.003 0.000 0.198 487 Q C 0.866 176.766 176.000 -0.166 0.000 0.969 487 Q CA 1.299 56.927 55.803 -0.293 0.000 0.838 487 Q CB 0.204 28.706 28.738 -0.394 0.000 0.900 487 Q HN 0.438 nan 8.270 nan 0.000 0.436 488 D N -0.152 120.168 120.400 -0.134 0.000 2.340 488 D HA 0.029 4.667 4.640 -0.003 0.000 0.217 488 D C 0.165 176.467 176.300 0.003 0.000 1.081 488 D CA 0.168 54.173 54.000 0.008 0.000 0.842 488 D CB 0.322 41.248 40.800 0.210 0.000 0.934 488 D HN 0.113 nan 8.370 nan 0.000 0.511 489 S N -0.954 114.625 115.700 -0.202 0.000 2.745 489 S HA 0.708 5.177 4.470 -0.003 0.000 0.292 489 S C 0.830 175.387 174.600 -0.073 0.000 1.133 489 S CA -0.713 57.382 58.200 -0.176 0.000 0.998 489 S CB 2.036 64.894 63.200 -0.571 0.000 1.087 489 S HN 0.040 nan 8.310 nan 0.000 0.551 490 G N -0.461 108.329 108.800 -0.016 0.000 2.504 490 G HA2 0.399 4.357 3.960 -0.003 0.000 0.257 490 G HA3 0.399 4.357 3.960 -0.003 0.000 0.257 490 G C 0.559 175.442 174.900 -0.029 0.000 1.451 490 G CA -0.850 44.245 45.100 -0.008 0.000 1.059 490 G HN 0.689 nan 8.290 nan 0.000 0.550 491 L N -0.615 120.602 121.223 -0.009 0.000 2.395 491 L HA 0.176 4.515 4.340 -0.003 0.000 0.218 491 L C 0.676 177.543 176.870 -0.005 0.000 1.130 491 L CA 0.859 55.694 54.840 -0.008 0.000 0.826 491 L CB -0.167 41.895 42.059 0.004 0.000 0.941 491 L HN 0.416 nan 8.230 nan 0.000 0.451 492 E N -0.280 119.921 120.200 0.000 0.000 2.224 492 E HA 0.513 4.862 4.350 -0.003 0.000 0.265 492 E C -1.309 175.298 176.600 0.011 0.000 0.878 492 E CA -0.266 56.139 56.400 0.010 0.000 0.759 492 E CB 3.307 33.018 29.700 0.019 0.000 1.164 492 E HN -0.184 nan 8.360 nan 0.000 0.414 493 V N 3.226 123.143 119.914 0.006 0.000 2.891 493 V HA 0.385 4.504 4.120 -0.003 0.000 0.304 493 V C -1.674 174.447 176.094 0.046 0.000 1.171 493 V CA -0.737 61.568 62.300 0.009 0.000 0.943 493 V CB 2.145 33.889 31.823 -0.132 0.000 1.037 493 V HN 0.639 nan 8.190 nan 0.000 0.427 494 N N 5.679 124.436 118.700 0.094 0.000 2.487 494 N HA 0.664 5.403 4.740 -0.003 0.000 0.292 494 N C -0.951 174.594 175.510 0.058 0.000 1.108 494 N CA -0.181 52.943 53.050 0.123 0.000 0.956 494 N CB 2.082 40.652 38.487 0.137 0.000 1.176 494 N HN 0.669 nan 8.380 nan 0.000 0.484 495 I N 1.111 121.680 120.570 -0.002 0.000 2.569 495 I HA 0.294 4.463 4.170 -0.003 0.000 0.290 495 I C -0.797 175.252 176.117 -0.113 0.000 1.088 495 I CA -0.938 60.330 61.300 -0.053 0.000 1.047 495 I CB 2.236 40.191 38.000 -0.076 0.000 1.237 495 I HN -0.030 nan 8.210 nan 0.000 0.421 496 V N 4.285 124.093 119.914 -0.177 0.000 2.448 496 V HA 0.580 4.699 4.120 -0.003 0.000 0.295 496 V C -0.050 175.991 176.094 -0.088 0.000 1.025 496 V CA -0.376 61.801 62.300 -0.205 0.000 0.859 496 V CB 1.790 33.327 31.823 -0.478 0.000 0.988 496 V HN 0.831 nan 8.190 nan 0.000 0.431 497 T N 1.244 115.763 114.554 -0.058 0.000 2.901 497 T HA 0.484 4.833 4.350 -0.003 0.000 0.293 497 T C -0.101 174.522 174.700 -0.129 0.000 1.084 497 T CA -0.269 61.820 62.100 -0.019 0.000 1.008 497 T CB 1.940 70.841 68.868 0.055 0.000 1.170 497 T HN 0.846 nan 8.240 nan 0.000 0.509 498 D N 0.244 120.573 120.400 -0.118 0.000 2.433 498 D HA 0.210 4.848 4.640 -0.003 0.000 0.211 498 D C 0.452 176.864 176.300 0.186 0.000 1.114 498 D CA -0.196 53.632 54.000 -0.286 0.000 0.837 498 D CB 0.250 40.890 40.800 -0.266 0.000 0.984 498 D HN 0.270 nan 8.370 nan 0.000 0.505 499 S N 0.856 116.717 115.700 0.267 0.000 2.485 499 S HA 0.064 4.532 4.470 -0.003 0.000 0.312 499 S C 1.230 176.052 174.600 0.370 0.000 1.102 499 S CA -0.555 57.839 58.200 0.324 0.000 1.066 499 S CB 0.786 64.130 63.200 0.239 0.000 1.102 499 S HN 0.285 nan 8.310 nan 0.000 0.519 500 Q N 4.977 124.976 119.800 0.331 0.000 2.152 500 Q HA -0.251 4.087 4.340 -0.003 0.000 0.206 500 Q C 1.482 177.506 176.000 0.040 0.000 0.985 500 Q CA 2.247 58.039 55.803 -0.018 0.000 0.863 500 Q CB -0.494 28.135 28.738 -0.181 0.000 0.904 500 Q HN 0.951 nan 8.270 nan 0.000 0.422 501 Y N 0.337 120.654 120.300 0.027 0.000 2.081 501 Y HA -0.262 4.287 4.550 -0.003 0.000 0.280 501 Y C 2.152 178.070 175.900 0.031 0.000 1.163 501 Y CA 2.086 60.202 58.100 0.027 0.000 1.135 501 Y CB -0.873 37.615 38.460 0.048 0.000 0.970 501 Y HN 0.248 nan 8.280 nan 0.000 0.498 502 A N 0.276 123.019 122.820 -0.129 0.000 1.873 502 A HA -0.169 4.150 4.320 -0.003 0.000 0.215 502 A C 2.241 179.731 177.584 -0.156 0.000 1.186 502 A CA 1.629 53.534 52.037 -0.220 0.000 0.616 502 A CB -1.368 17.630 19.000 -0.004 0.000 0.823 502 A HN 0.577 nan 8.150 nan 0.000 0.442 503 L N 0.283 121.478 121.223 -0.047 0.000 1.997 503 L HA -0.159 4.180 4.340 -0.003 0.000 0.216 503 L C 2.432 179.254 176.870 -0.080 0.000 1.074 503 L CA 2.585 57.400 54.840 -0.042 0.000 0.763 503 L CB -1.082 40.969 42.059 -0.013 0.000 0.890 503 L HN 0.339 nan 8.230 nan 0.000 0.434 504 G N -0.357 108.370 108.800 -0.121 0.000 2.459 504 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.217 504 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.217 504 G C 1.620 176.515 174.900 -0.008 0.000 1.183 504 G CA 1.295 46.338 45.100 -0.095 0.000 0.776 504 G HN 0.504 nan 8.290 nan 0.000 0.552 505 I N 0.833 121.326 120.570 -0.129 0.000 2.163 505 I HA -0.170 3.999 4.170 -0.003 0.000 0.243 505 I C 2.584 178.693 176.117 -0.012 0.000 1.085 505 I CA 0.880 62.106 61.300 -0.124 0.000 1.347 505 I CB -0.225 37.522 38.000 -0.421 0.000 1.044 505 I HN 0.119 nan 8.210 nan 0.000 0.408 506 I N 0.103 120.659 120.570 -0.024 0.000 2.406 506 I HA -0.217 3.952 4.170 -0.003 0.000 0.249 506 I C 2.449 178.661 176.117 0.159 0.000 1.122 506 I CA 1.298 62.635 61.300 0.061 0.000 1.431 506 I CB -1.231 36.776 38.000 0.012 0.000 1.087 506 I HN 0.326 nan 8.210 nan 0.000 0.424 507 Q N 1.009 120.884 119.800 0.125 0.000 2.364 507 Q HA -0.030 4.308 4.340 -0.003 0.000 0.209 507 Q C 1.932 178.100 176.000 0.280 0.000 0.977 507 Q CA 1.266 57.167 55.803 0.162 0.000 0.885 507 Q CB 0.017 28.813 28.738 0.096 0.000 0.941 507 Q HN 0.506 nan 8.270 nan 0.000 0.464 508 A N -0.371 122.657 122.820 0.347 0.000 2.251 508 A HA -0.011 4.307 4.320 -0.003 0.000 0.209 508 A C 0.168 177.962 177.584 0.349 0.000 1.187 508 A CA 0.244 52.553 52.037 0.453 0.000 0.823 508 A CB 0.009 19.320 19.000 0.519 0.000 0.846 508 A HN 0.493 nan 8.150 nan 0.000 0.486 509 Q N -1.956 118.004 119.800 0.267 0.000 2.475 509 Q HA -0.138 4.200 4.340 -0.003 0.000 0.280 509 Q C -2.180 173.882 176.000 0.103 0.000 1.234 509 Q CA 0.309 56.180 55.803 0.113 0.000 0.873 509 Q CB -2.013 26.756 28.738 0.053 0.000 1.256 509 Q HN 0.479 nan 8.270 nan 0.000 0.475 510 P HA -0.091 nan 4.420 nan 0.000 0.269 510 P C 0.221 177.632 177.300 0.185 0.000 1.211 510 P CA 0.909 64.106 63.100 0.162 0.000 0.781 510 P CB 0.378 32.176 31.700 0.164 0.000 0.877 511 D N -1.203 119.256 120.400 0.097 0.000 2.563 511 D HA 0.063 4.701 4.640 -0.003 0.000 0.256 511 D C -0.359 175.927 176.300 -0.023 0.000 1.400 511 D CA -0.185 53.852 54.000 0.061 0.000 0.800 511 D CB 0.003 40.821 40.800 0.030 0.000 1.145 511 D HN 0.468 nan 8.370 nan 0.000 0.501 512 Q N -1.553 118.261 119.800 0.022 0.000 2.479 512 Q HA 0.615 4.954 4.340 -0.003 0.000 0.276 512 Q C -1.732 174.310 176.000 0.070 0.000 0.989 512 Q CA -0.929 54.881 55.803 0.012 0.000 0.864 512 Q CB 1.745 30.480 28.738 -0.005 0.000 1.444 512 Q HN -0.031 nan 8.270 nan 0.000 0.388 513 S N -0.013 115.728 115.700 0.068 0.000 2.550 513 S HA 0.245 4.714 4.470 -0.003 0.000 0.270 513 S C -0.486 174.164 174.600 0.084 0.000 1.145 513 S CA -0.448 57.838 58.200 0.143 0.000 0.852 513 S CB 1.952 65.294 63.200 0.237 0.000 1.119 513 S HN 0.721 nan 8.310 nan 0.000 0.465 514 E N 0.958 121.206 120.200 0.080 0.000 2.516 514 E HA 0.065 4.413 4.350 -0.003 0.000 0.199 514 E C 0.000 176.637 176.600 0.062 0.000 1.069 514 E CA 0.217 56.642 56.400 0.042 0.000 0.876 514 E CB 0.319 30.024 29.700 0.009 0.000 0.843 514 E HN 0.298 nan 8.360 nan 0.000 0.530 515 S N 0.486 116.246 115.700 0.101 0.000 2.437 515 S HA 0.077 4.545 4.470 -0.003 0.000 0.305 515 S C 0.924 175.529 174.600 0.008 0.000 1.109 515 S CA -0.687 57.555 58.200 0.070 0.000 1.099 515 S CB 1.010 64.277 63.200 0.111 0.000 1.004 515 S HN 0.013 nan 8.310 nan 0.000 0.475 516 E N 3.641 123.832 120.200 -0.016 0.000 2.058 516 E HA -0.138 4.210 4.350 -0.003 0.000 0.194 516 E C 1.807 178.339 176.600 -0.114 0.000 0.997 516 E CA 1.007 57.374 56.400 -0.055 0.000 0.801 516 E CB -0.273 29.399 29.700 -0.046 0.000 0.746 516 E HN 0.739 nan 8.360 nan 0.000 0.450 517 L N 0.584 121.741 121.223 -0.111 0.000 1.963 517 L HA -0.268 4.071 4.340 -0.003 0.000 0.220 517 L C 2.526 179.266 176.870 -0.216 0.000 1.076 517 L CA 1.479 56.207 54.840 -0.188 0.000 0.772 517 L CB -0.382 41.624 42.059 -0.089 0.000 0.892 517 L HN 0.029 nan 8.230 nan 0.000 0.435 518 V N -0.160 119.682 119.914 -0.121 0.000 2.490 518 V HA -0.270 3.849 4.120 -0.003 0.000 0.250 518 V C 2.135 178.159 176.094 -0.115 0.000 1.061 518 V CA 1.792 64.018 62.300 -0.124 0.000 1.064 518 V CB -0.840 30.917 31.823 -0.110 0.000 0.670 518 V HN 0.497 nan 8.190 nan 0.000 0.461 519 N N 0.096 118.736 118.700 -0.099 0.000 2.120 519 N HA -0.158 4.581 4.740 -0.003 0.000 0.188 519 N C 1.946 177.364 175.510 -0.153 0.000 1.024 519 N CA 1.355 54.345 53.050 -0.101 0.000 0.852 519 N CB -0.300 38.138 38.487 -0.081 0.000 1.003 519 N HN 0.583 nan 8.380 nan 0.000 0.424 520 Q N 0.342 119.993 119.800 -0.247 0.000 2.020 520 Q HA -0.060 4.278 4.340 -0.003 0.000 0.202 520 Q C 2.155 177.959 176.000 -0.327 0.000 0.982 520 Q CA 1.052 56.628 55.803 -0.377 0.000 0.838 520 Q CB -0.227 28.040 28.738 -0.784 0.000 0.899 520 Q HN 0.398 nan 8.270 nan 0.000 0.423 521 I N 0.651 121.007 120.570 -0.358 0.000 2.194 521 I HA -0.331 3.837 4.170 -0.003 0.000 0.246 521 I C 2.256 178.299 176.117 -0.124 0.000 1.093 521 I CA 1.259 62.480 61.300 -0.132 0.000 1.355 521 I CB -0.326 37.603 38.000 -0.118 0.000 1.046 521 I HN 0.240 nan 8.210 nan 0.000 0.413 522 I N 0.827 121.314 120.570 -0.138 0.000 2.202 522 I HA -0.294 3.874 4.170 -0.003 0.000 0.242 522 I C 2.695 178.735 176.117 -0.128 0.000 1.091 522 I CA 1.691 62.904 61.300 -0.144 0.000 1.368 522 I CB -0.468 37.498 38.000 -0.056 0.000 1.058 522 I HN 0.351 nan 8.210 nan 0.000 0.410 523 E N 0.711 120.861 120.200 -0.084 0.000 2.118 523 E HA -0.286 4.062 4.350 -0.003 0.000 0.195 523 E C 1.975 178.561 176.600 -0.023 0.000 0.992 523 E CA 1.034 57.406 56.400 -0.047 0.000 0.804 523 E CB -0.312 29.368 29.700 -0.033 0.000 0.741 523 E HN 0.507 nan 8.360 nan 0.000 0.458 524 Q N 0.783 120.578 119.800 -0.008 0.000 2.046 524 Q HA -0.051 4.287 4.340 -0.003 0.000 0.200 524 Q C 2.545 178.498 176.000 -0.078 0.000 0.975 524 Q CA 1.108 56.909 55.803 -0.003 0.000 0.836 524 Q CB -0.245 28.529 28.738 0.060 0.000 0.896 524 Q HN 0.432 nan 8.270 nan 0.000 0.428 525 L N 0.237 121.351 121.223 -0.183 0.000 2.191 525 L HA -0.165 4.173 4.340 -0.003 0.000 0.212 525 L C 2.292 179.043 176.870 -0.200 0.000 1.103 525 L CA 0.719 55.368 54.840 -0.317 0.000 0.769 525 L CB -0.324 41.273 42.059 -0.770 0.000 0.908 525 L HN 0.168 nan 8.230 nan 0.000 0.438 526 I N -0.659 119.857 120.570 -0.090 0.000 2.439 526 I HA -0.215 3.953 4.170 -0.003 0.000 0.251 526 I C 2.295 178.461 176.117 0.082 0.000 1.139 526 I CA 1.021 62.379 61.300 0.097 0.000 1.438 526 I CB -0.169 37.933 38.000 0.171 0.000 1.085 526 I HN 0.162 nan 8.210 nan 0.000 0.427 527 K N 0.682 121.101 120.400 0.032 0.000 2.288 527 K HA -0.013 4.305 4.320 -0.003 0.000 0.201 527 K C 0.862 177.473 176.600 0.018 0.000 1.048 527 K CA 0.508 56.813 56.287 0.030 0.000 0.956 527 K CB 0.072 32.581 32.500 0.014 0.000 0.746 527 K HN 0.192 nan 8.250 nan 0.000 0.461 528 K N 0.884 121.286 120.400 0.003 0.000 2.273 528 K HA 0.016 4.335 4.320 -0.003 0.000 0.240 528 K C 1.043 177.660 176.600 0.027 0.000 1.056 528 K CA 0.344 56.631 56.287 -0.001 0.000 0.910 528 K CB 0.705 33.190 32.500 -0.026 0.000 1.196 528 K HN -0.076 nan 8.250 nan 0.000 0.509 529 E N -0.136 120.080 120.200 0.026 0.000 2.564 529 E HA 0.113 4.461 4.350 -0.003 0.000 0.203 529 E C -0.688 175.940 176.600 0.046 0.000 0.867 529 E CA 0.502 56.924 56.400 0.037 0.000 1.250 529 E CB 0.707 30.423 29.700 0.026 0.000 1.215 529 E HN 0.306 nan 8.360 nan 0.000 0.566 530 K N -0.037 120.387 120.400 0.041 0.000 2.468 530 K HA 0.610 4.928 4.320 -0.003 0.000 0.252 530 K C -1.747 174.885 176.600 0.054 0.000 0.932 530 K CA -0.752 55.569 56.287 0.057 0.000 0.794 530 K CB 3.163 35.693 32.500 0.050 0.000 1.241 530 K HN -0.161 nan 8.250 nan 0.000 0.428 531 V N 2.956 122.918 119.914 0.080 0.000 2.623 531 V HA 0.348 4.467 4.120 -0.003 0.000 0.304 531 V C -1.687 174.491 176.094 0.140 0.000 1.054 531 V CA -0.862 61.478 62.300 0.067 0.000 0.882 531 V CB 1.549 33.379 31.823 0.012 0.000 1.002 531 V HN 0.729 nan 8.190 nan 0.000 0.424 532 Y N 5.522 125.821 120.300 -0.002 0.000 2.350 532 Y HA 0.763 5.312 4.550 -0.003 0.000 0.338 532 Y C -1.081 174.816 175.900 -0.004 0.000 0.961 532 Y CA -0.755 57.348 58.100 0.006 0.000 1.100 532 Y CB 1.650 40.111 38.460 0.002 0.000 1.179 532 Y HN 0.621 nan 8.280 nan 0.000 0.454 533 L N 6.122 126.959 121.223 -0.644 0.000 2.365 533 L HA 0.969 5.307 4.340 -0.003 0.000 0.273 533 L C -1.283 175.219 176.870 -0.613 0.000 1.000 533 L CA -0.563 54.016 54.840 -0.435 0.000 0.819 533 L CB 1.437 43.372 42.059 -0.207 0.000 1.284 533 L HN 0.880 nan 8.230 nan 0.000 0.418 534 A N 3.692 126.320 122.820 -0.320 0.000 2.569 534 A HA 0.680 4.998 4.320 -0.003 0.000 0.290 534 A C -2.423 175.183 177.584 0.037 0.000 1.136 534 A CA -0.521 51.427 52.037 -0.149 0.000 0.710 534 A CB 1.515 20.480 19.000 -0.057 0.000 1.303 534 A HN 0.810 nan 8.150 nan 0.000 0.413 535 W N 0.742 121.994 121.300 -0.080 0.000 2.915 535 W HA 0.667 5.326 4.660 -0.002 0.000 0.337 535 W C -1.831 174.681 176.519 -0.013 0.000 1.102 535 W CA -0.437 56.880 57.345 -0.047 0.000 1.224 535 W CB 1.811 31.240 29.460 -0.052 0.000 1.416 535 W HN 0.597 nan 8.180 nan 0.000 0.503 536 V N 5.568 124.786 119.914 -1.161 0.000 2.962 536 V HA 0.496 4.614 4.120 -0.003 0.000 0.313 536 V C -2.178 172.874 176.094 -1.736 0.000 1.099 536 V CA -2.364 59.306 62.300 -1.049 0.000 0.971 536 V CB 2.448 34.005 31.823 -0.445 0.000 1.028 536 V HN 0.408 nan 8.190 nan 0.000 0.430 537 P HA 0.242 nan 4.420 nan 0.000 0.271 537 P C -0.531 176.549 177.300 -0.366 0.000 1.226 537 P CA 0.107 62.853 63.100 -0.591 0.000 0.765 537 P CB 0.450 32.052 31.700 -0.164 0.000 0.835 538 A N 3.486 126.152 122.820 -0.256 0.000 2.498 538 A HA 0.117 4.435 4.320 -0.003 0.000 0.239 538 A C 0.213 177.714 177.584 -0.139 0.000 1.068 538 A CA 0.102 51.978 52.037 -0.269 0.000 0.766 538 A CB -1.047 17.807 19.000 -0.243 0.000 1.003 538 A HN 0.829 nan 8.150 nan 0.000 0.497 539 H N -0.319 118.727 119.070 -0.039 0.000 2.839 539 H HA -0.106 4.449 4.556 -0.003 0.000 0.298 539 H C 0.383 175.698 175.328 -0.022 0.000 1.224 539 H CA 1.047 57.082 56.048 -0.022 0.000 1.144 539 H CB -0.855 28.904 29.762 -0.005 0.000 1.372 539 H HN 0.612 nan 8.280 nan 0.000 0.408 540 K N -0.100 120.318 120.400 0.029 0.000 2.414 540 K HA 0.246 4.565 4.320 -0.003 0.000 0.204 540 K C 1.508 178.107 176.600 -0.001 0.000 1.026 540 K CA 0.680 56.977 56.287 0.017 0.000 1.108 540 K CB 1.240 33.736 32.500 -0.005 0.000 0.855 540 K HN 0.570 nan 8.250 nan 0.000 0.517 541 G N 1.962 110.758 108.800 -0.007 0.000 2.148 541 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.254 541 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.254 541 G C 0.277 175.152 174.900 -0.042 0.000 0.981 541 G CA -0.224 44.865 45.100 -0.019 0.000 0.670 541 G HN 0.190 nan 8.290 nan 0.000 0.528 542 I N 1.705 122.244 120.570 -0.052 0.000 2.710 542 I HA 0.332 4.500 4.170 -0.003 0.000 0.286 542 I C 2.023 178.096 176.117 -0.074 0.000 1.181 542 I CA 1.013 62.283 61.300 -0.051 0.000 1.430 542 I CB -0.502 37.465 38.000 -0.054 0.000 1.367 542 I HN 0.684 nan 8.210 nan 0.000 0.577 543 G N 5.408 114.163 108.800 -0.076 0.000 2.536 543 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.607 543 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.607 543 G C 1.118 175.805 174.900 -0.355 0.000 1.383 543 G CA 0.581 45.585 45.100 -0.159 0.000 0.926 543 G HN 1.003 nan 8.290 nan 0.000 0.515 544 G N -0.205 108.050 108.800 -0.909 0.000 2.535 544 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.218 544 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.218 544 G C 1.527 176.132 174.900 -0.492 0.000 1.122 544 G CA 1.311 45.717 45.100 -1.157 0.000 0.769 544 G HN 0.806 nan 8.290 nan 0.000 0.549 545 N N 0.791 119.372 118.700 -0.198 0.000 2.084 545 N HA -0.147 4.591 4.740 -0.003 0.000 0.190 545 N C 2.099 177.560 175.510 -0.081 0.000 1.030 545 N CA 1.599 54.631 53.050 -0.029 0.000 0.849 545 N CB -0.105 38.360 38.487 -0.037 0.000 1.012 545 N HN 0.465 nan 8.380 nan 0.000 0.423 546 E N 0.740 120.878 120.200 -0.103 0.000 2.049 546 E HA -0.262 4.086 4.350 -0.003 0.000 0.198 546 E C 2.040 178.603 176.600 -0.063 0.000 1.007 546 E CA 1.794 58.150 56.400 -0.073 0.000 0.809 546 E CB -0.124 29.535 29.700 -0.067 0.000 0.749 546 E HN 0.335 nan 8.360 nan 0.000 0.450 547 Q N -0.082 119.664 119.800 -0.090 0.000 2.002 547 Q HA -0.124 4.215 4.340 -0.003 0.000 0.204 547 Q C 2.258 178.234 176.000 -0.038 0.000 0.988 547 Q CA 1.767 57.529 55.803 -0.069 0.000 0.843 547 Q CB -0.576 28.103 28.738 -0.097 0.000 0.908 547 Q HN 0.320 nan 8.270 nan 0.000 0.420 548 V N 0.774 120.674 119.914 -0.023 0.000 2.759 548 V HA -0.195 3.923 4.120 -0.003 0.000 0.256 548 V C 1.603 177.703 176.094 0.009 0.000 1.080 548 V CA 1.796 64.105 62.300 0.015 0.000 1.101 548 V CB -0.230 31.642 31.823 0.082 0.000 0.698 548 V HN 0.432 nan 8.190 nan 0.000 0.477 549 D N -0.014 120.381 120.400 -0.009 0.000 2.123 549 D HA -0.187 4.451 4.640 -0.003 0.000 0.200 549 D C 2.163 178.469 176.300 0.009 0.000 0.976 549 D CA 1.382 55.377 54.000 -0.008 0.000 0.831 549 D CB 0.025 40.800 40.800 -0.042 0.000 0.974 549 D HN 0.497 nan 8.370 nan 0.000 0.469 550 K N 0.066 120.467 120.400 0.001 0.000 2.148 550 K HA -0.066 4.253 4.320 -0.003 0.000 0.204 550 K C 2.101 178.700 176.600 -0.001 0.000 1.050 550 K CA 0.390 56.679 56.287 0.004 0.000 0.942 550 K CB 0.105 32.601 32.500 -0.007 0.000 0.724 550 K HN 0.105 nan 8.250 nan 0.000 0.446 551 L N 1.226 122.444 121.223 -0.008 0.000 2.217 551 L HA -0.012 4.327 4.340 -0.003 0.000 0.211 551 L C 0.894 177.758 176.870 -0.010 0.000 1.107 551 L CA 0.858 55.689 54.840 -0.015 0.000 0.783 551 L CB -0.162 41.881 42.059 -0.027 0.000 0.919 551 L HN 0.071 nan 8.230 nan 0.000 0.442 552 V N -0.913 119.002 119.914 0.001 0.000 2.304 552 V HA 0.639 4.757 4.120 -0.003 0.000 0.262 552 V C 0.081 176.185 176.094 0.017 0.000 1.061 552 V CA -0.288 62.017 62.300 0.008 0.000 0.872 552 V CB 0.185 32.018 31.823 0.017 0.000 1.077 552 V HN 0.395 nan 8.190 nan 0.000 0.480 553 S N 0.000 115.707 115.700 0.012 0.000 2.498 553 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 553 S CA 0.000 58.209 58.200 0.015 0.000 1.107 553 S CB 0.000 63.212 63.200 0.020 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517