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 1s9g_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 FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIG 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 0.000 177.354 177.300 0.089 0.000 1.155 1 P CA 0.000 63.155 63.100 0.092 0.000 0.800 1 P CB 0.000 31.767 31.700 0.112 0.000 0.726 2 I N -0.442 120.189 120.570 0.101 0.000 2.571 2 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 2 I C 0.543 176.717 176.117 0.095 0.000 1.134 2 I CA -0.326 61.038 61.300 0.106 0.000 1.052 2 I CB 2.254 40.355 38.000 0.168 0.000 1.237 2 I HN -0.329 nan 8.210 nan 0.000 0.435 3 S N 4.793 120.532 115.700 0.066 0.000 2.456 3 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 3 S C -0.421 174.225 174.600 0.077 0.000 1.035 3 S CA 0.515 58.751 58.200 0.061 0.000 0.940 3 S CB -0.285 62.936 63.200 0.035 0.000 0.799 3 S HN 0.642 nan 8.310 nan 0.000 0.508 4 P HA 0.030 nan 4.420 nan 0.000 0.223 4 P C 0.259 177.719 177.300 0.268 0.000 1.151 4 P CA 0.644 63.807 63.100 0.106 0.000 0.787 4 P CB -0.011 31.649 31.700 -0.066 0.000 0.788 5 I N 1.120 121.845 120.570 0.258 0.000 2.496 5 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 5 I C 0.921 177.123 176.117 0.141 0.000 1.080 5 I CA -0.266 61.173 61.300 0.233 0.000 1.404 5 I CB 0.584 38.696 38.000 0.186 0.000 1.403 5 I HN -0.067 nan 8.210 nan 0.000 0.539 6 E N 4.901 125.166 120.200 0.108 0.000 2.259 6 E HA 0.138 4.488 4.350 -0.000 0.000 0.281 6 E C -0.391 176.247 176.600 0.062 0.000 1.037 6 E CA -0.523 55.924 56.400 0.078 0.000 0.854 6 E CB 0.870 30.608 29.700 0.062 0.000 1.051 6 E HN 0.591 nan 8.360 nan 0.000 0.409 7 T N 0.045 114.640 114.554 0.069 0.000 2.910 7 T HA 0.248 4.598 4.350 -0.000 0.000 0.293 7 T C 0.191 174.932 174.700 0.069 0.000 1.015 7 T CA -0.931 61.213 62.100 0.072 0.000 1.094 7 T CB 1.227 70.147 68.868 0.085 0.000 0.968 7 T HN 0.111 nan 8.240 nan 0.000 0.521 8 V N 5.474 125.434 119.914 0.076 0.000 2.368 8 V HA 0.279 4.399 4.120 -0.000 0.000 0.266 8 V C -1.690 174.467 176.094 0.106 0.000 1.045 8 V CA -1.879 60.470 62.300 0.082 0.000 0.899 8 V CB 0.403 32.278 31.823 0.088 0.000 1.006 8 V HN 0.852 nan 8.190 nan 0.000 0.470 9 P HA 0.046 nan 4.420 nan 0.000 0.260 9 P C -0.475 176.863 177.300 0.063 0.000 1.185 9 P CA 0.482 63.630 63.100 0.080 0.000 0.763 9 P CB 0.913 32.648 31.700 0.057 0.000 0.776 10 V N 4.863 124.799 119.914 0.037 0.000 2.975 10 V HA 0.522 4.642 4.120 -0.000 0.000 0.318 10 V C 0.534 176.509 176.094 -0.199 0.000 1.077 10 V CA -0.539 61.672 62.300 -0.149 0.000 1.000 10 V CB 1.973 33.583 31.823 -0.355 0.000 1.066 10 V HN 0.514 nan 8.190 nan 0.000 0.452 11 K N 1.568 121.783 120.400 -0.308 0.000 2.536 11 K HA 0.642 4.962 4.320 -0.000 0.000 0.269 11 K C -1.772 174.821 176.600 -0.011 0.000 0.965 11 K CA -0.830 55.418 56.287 -0.065 0.000 0.860 11 K CB 2.530 34.992 32.500 -0.063 0.000 1.423 11 K HN 0.401 nan 8.250 nan 0.000 0.438 12 L N 2.328 123.609 121.223 0.097 0.000 2.312 12 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 12 L C 0.131 176.988 176.870 -0.022 0.000 1.070 12 L CA -0.737 54.126 54.840 0.038 0.000 0.805 12 L CB 0.750 42.752 42.059 -0.095 0.000 1.174 12 L HN 0.382 nan 8.230 nan 0.000 0.434 13 K N 3.885 124.266 120.400 -0.033 0.000 2.578 13 K HA -0.113 4.207 4.320 -0.000 0.000 0.279 13 K C -1.394 175.191 176.600 -0.025 0.000 0.983 13 K CA -0.691 55.571 56.287 -0.042 0.000 1.078 13 K CB -0.103 32.379 32.500 -0.030 0.000 0.852 13 K HN 0.423 nan 8.250 nan 0.000 0.490 14 P HA -0.308 nan 4.420 nan 0.000 0.223 14 P C 0.878 178.178 177.300 0.001 0.000 0.913 14 P CA 2.336 65.429 63.100 -0.013 0.000 1.058 14 P CB -0.084 31.608 31.700 -0.014 0.000 0.714 15 G N -1.947 106.856 108.800 0.005 0.000 3.605 15 G HA2 0.416 4.376 3.960 -0.000 0.000 0.277 15 G HA3 0.416 4.376 3.960 -0.000 0.000 0.277 15 G C 0.598 175.511 174.900 0.021 0.000 1.093 15 G CA -0.185 44.924 45.100 0.015 0.000 0.821 15 G HN 0.196 nan 8.290 nan 0.000 0.532 16 M N -0.171 119.437 119.600 0.014 0.000 2.513 16 M HA 0.480 4.960 4.480 -0.000 0.000 0.291 16 M C -0.468 175.843 176.300 0.018 0.000 1.190 16 M CA -0.652 54.659 55.300 0.018 0.000 0.960 16 M CB 1.433 34.038 32.600 0.008 0.000 1.517 16 M HN 0.002 nan 8.290 nan 0.000 0.499 17 D N -0.629 119.794 120.400 0.039 0.000 2.585 17 D HA 0.528 5.168 4.640 -0.000 0.000 0.254 17 D C -0.602 175.706 176.300 0.013 0.000 1.067 17 D CA -0.305 53.740 54.000 0.075 0.000 1.090 17 D CB 1.492 42.419 40.800 0.212 0.000 1.408 17 D HN 0.663 nan 8.370 nan 0.000 0.554 18 G N 0.618 109.414 108.800 -0.005 0.000 2.491 18 G HA2 0.370 4.330 3.960 -0.000 0.000 0.242 18 G HA3 0.370 4.330 3.960 -0.000 0.000 0.242 18 G C -2.162 172.900 174.900 0.271 0.000 1.266 18 G CA -0.856 44.134 45.100 -0.183 0.000 0.844 18 G HN 0.432 nan 8.290 nan 0.000 0.571 19 P HA 0.108 nan 4.420 nan 0.000 0.265 19 P C -0.836 176.636 177.300 0.287 0.000 1.187 19 P CA 0.290 63.525 63.100 0.224 0.000 0.766 19 P CB 0.809 32.633 31.700 0.207 0.000 0.820 20 K N 1.900 122.409 120.400 0.181 0.000 2.723 20 K HA 0.428 4.748 4.320 -0.000 0.000 0.229 20 K C -1.372 175.257 176.600 0.048 0.000 1.022 20 K CA -0.521 55.833 56.287 0.113 0.000 1.045 20 K CB 1.567 34.116 32.500 0.081 0.000 1.227 20 K HN 0.130 nan 8.250 nan 0.000 0.516 21 V N 3.865 123.792 119.914 0.022 0.000 2.439 21 V HA 0.186 4.306 4.120 -0.000 0.000 0.277 21 V C -0.178 175.860 176.094 -0.093 0.000 1.008 21 V CA -1.020 61.253 62.300 -0.045 0.000 0.846 21 V CB 1.217 33.016 31.823 -0.040 0.000 1.031 21 V HN 0.535 nan 8.190 nan 0.000 0.441 22 K N 2.393 122.725 120.400 -0.113 0.000 2.518 22 K HA 0.050 4.370 4.320 -0.000 0.000 0.276 22 K C 0.161 176.638 176.600 -0.204 0.000 0.974 22 K CA 0.185 56.398 56.287 -0.124 0.000 0.986 22 K CB 0.765 33.208 32.500 -0.095 0.000 0.901 22 K HN 0.690 nan 8.250 nan 0.000 0.497 23 Q N 2.338 122.052 119.800 -0.143 0.000 2.288 23 Q HA 0.066 4.406 4.340 -0.000 0.000 0.254 23 Q C -0.810 175.167 176.000 -0.037 0.000 0.932 23 Q CA -0.292 55.418 55.803 -0.155 0.000 0.902 23 Q CB 0.605 29.267 28.738 -0.128 0.000 1.203 23 Q HN 0.305 nan 8.270 nan 0.000 0.415 24 W N 4.672 125.941 121.300 -0.052 0.000 2.237 24 W HA 0.298 4.958 4.660 -0.000 0.000 0.335 24 W C -1.938 174.557 176.519 -0.041 0.000 1.230 24 W CA -2.121 55.225 57.345 0.001 0.000 1.253 24 W CB 0.221 29.739 29.460 0.095 0.000 1.129 24 W HN 0.598 nan 8.180 nan 0.000 0.590 25 P HA 0.349 nan 4.420 nan 0.000 0.278 25 P C -0.664 176.679 177.300 0.071 0.000 1.238 25 P CA 0.019 63.171 63.100 0.087 0.000 0.794 25 P CB 1.469 33.204 31.700 0.057 0.000 0.955 26 L N 0.561 121.797 121.223 0.021 0.000 2.256 26 L HA 0.485 4.825 4.340 -0.000 0.000 0.261 26 L C 0.947 177.804 176.870 -0.022 0.000 1.022 26 L CA -1.019 53.827 54.840 0.010 0.000 0.828 26 L CB 1.452 43.501 42.059 -0.016 0.000 1.374 26 L HN 0.361 nan 8.230 nan 0.000 0.436 27 T N -3.125 111.409 114.554 -0.034 0.000 2.930 27 T HA 0.038 4.388 4.350 -0.000 0.000 0.306 27 T C 0.962 175.615 174.700 -0.079 0.000 1.045 27 T CA -0.304 61.767 62.100 -0.048 0.000 1.134 27 T CB 0.716 69.556 68.868 -0.045 0.000 0.961 27 T HN 0.819 nan 8.240 nan 0.000 0.545 28 E N 1.066 121.229 120.200 -0.062 0.000 2.209 28 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 28 E C 1.673 178.213 176.600 -0.101 0.000 0.993 28 E CA 1.384 57.744 56.400 -0.067 0.000 0.819 28 E CB -0.194 29.480 29.700 -0.042 0.000 0.745 28 E HN 0.792 nan 8.360 nan 0.000 0.477 29 E N 1.899 122.026 120.200 -0.122 0.000 2.077 29 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 29 E C 1.766 178.156 176.600 -0.350 0.000 0.989 29 E CA 1.700 57.989 56.400 -0.184 0.000 0.800 29 E CB 0.022 29.630 29.700 -0.153 0.000 0.746 29 E HN 0.328 nan 8.360 nan 0.000 0.452 30 K N 0.011 120.184 120.400 -0.379 0.000 2.097 30 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 30 K C 2.341 178.774 176.600 -0.279 0.000 1.050 30 K CA 1.162 57.177 56.287 -0.452 0.000 0.938 30 K CB -0.423 31.872 32.500 -0.342 0.000 0.718 30 K HN 0.257 nan 8.250 nan 0.000 0.442 31 I N 1.799 122.263 120.570 -0.177 0.000 2.113 31 I HA -0.375 3.795 4.170 -0.000 0.000 0.242 31 I C 2.256 178.317 176.117 -0.095 0.000 1.064 31 I CA 1.871 63.105 61.300 -0.111 0.000 1.320 31 I CB -0.100 37.854 38.000 -0.076 0.000 1.028 31 I HN 0.031 nan 8.210 nan 0.000 0.406 32 K N 0.994 121.333 120.400 -0.101 0.000 2.228 32 K HA -0.024 4.295 4.320 -0.000 0.000 0.202 32 K C 2.047 178.597 176.600 -0.084 0.000 1.051 32 K CA 1.100 57.346 56.287 -0.067 0.000 0.960 32 K CB -0.222 32.248 32.500 -0.049 0.000 0.743 32 K HN 0.485 nan 8.250 nan 0.000 0.458 33 A N 1.940 124.653 122.820 -0.178 0.000 1.940 33 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 33 A C 2.203 179.714 177.584 -0.121 0.000 1.176 33 A CA 1.273 53.184 52.037 -0.209 0.000 0.631 33 A CB -0.444 18.178 19.000 -0.629 0.000 0.814 33 A HN 0.321 nan 8.150 nan 0.000 0.446 34 L N -0.843 120.300 121.223 -0.134 0.000 2.127 34 L HA -0.073 4.267 4.340 -0.000 0.000 0.203 34 L C 2.417 179.264 176.870 -0.038 0.000 1.080 34 L CA 0.690 55.477 54.840 -0.089 0.000 0.768 34 L CB -0.618 41.385 42.059 -0.094 0.000 0.924 34 L HN 0.208 nan 8.230 nan 0.000 0.444 35 V N 0.168 120.075 119.914 -0.011 0.000 2.546 35 V HA -0.285 3.835 4.120 -0.000 0.000 0.254 35 V C 2.323 178.425 176.094 0.013 0.000 1.076 35 V CA 1.707 64.028 62.300 0.035 0.000 1.087 35 V CB -0.523 31.316 31.823 0.026 0.000 0.674 35 V HN 0.463 nan 8.190 nan 0.000 0.470 36 E N -0.296 119.901 120.200 -0.005 0.000 2.051 36 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 36 E C 2.217 178.804 176.600 -0.022 0.000 0.979 36 E CA 0.958 57.357 56.400 -0.000 0.000 0.803 36 E CB -0.050 29.663 29.700 0.021 0.000 0.761 36 E HN 0.412 nan 8.360 nan 0.000 0.451 37 I N 0.961 121.511 120.570 -0.032 0.000 2.454 37 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 37 I C 2.246 178.280 176.117 -0.139 0.000 1.156 37 I CA 0.952 62.214 61.300 -0.064 0.000 1.433 37 I CB -1.244 36.723 38.000 -0.055 0.000 1.082 37 I HN 0.275 nan 8.210 nan 0.000 0.432 38 C N 0.520 119.729 119.300 -0.152 0.000 2.505 38 C HA -0.065 4.395 4.460 -0.000 0.000 0.279 38 C C 3.045 177.865 174.990 -0.283 0.000 1.316 38 C CA 1.265 60.095 59.018 -0.312 0.000 1.720 38 C CB -0.945 26.608 27.740 -0.312 0.000 2.050 38 C HN 0.618 nan 8.230 nan 0.000 0.493 39 T N -1.025 113.477 114.554 -0.087 0.000 2.867 39 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 39 T C 1.529 176.193 174.700 -0.061 0.000 1.057 39 T CA 1.315 63.400 62.100 -0.026 0.000 1.136 39 T CB -0.333 68.552 68.868 0.029 0.000 0.874 39 T HN 0.407 nan 8.240 nan 0.000 0.466 40 E N 0.181 120.340 120.200 -0.069 0.000 2.427 40 E HA 0.143 4.493 4.350 -0.000 0.000 0.196 40 E C 1.787 178.327 176.600 -0.101 0.000 1.028 40 E CA 0.292 56.655 56.400 -0.061 0.000 0.864 40 E CB -0.111 29.564 29.700 -0.042 0.000 0.813 40 E HN 0.603 nan 8.360 nan 0.000 0.514 41 M N -0.118 119.381 119.600 -0.168 0.000 2.276 41 M HA -0.081 4.399 4.480 -0.000 0.000 0.262 41 M C 2.185 178.349 176.300 -0.227 0.000 1.098 41 M CA 1.143 56.301 55.300 -0.236 0.000 1.167 41 M CB 0.127 32.519 32.600 -0.347 0.000 1.337 41 M HN -0.092 nan 8.290 nan 0.000 0.446 42 E N 0.409 120.459 120.200 -0.251 0.000 2.153 42 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 42 E C 1.888 178.443 176.600 -0.075 0.000 0.988 42 E CA 1.327 57.631 56.400 -0.159 0.000 0.811 42 E CB -0.073 29.590 29.700 -0.063 0.000 0.746 42 E HN 0.422 nan 8.360 nan 0.000 0.466 43 K N 0.656 121.016 120.400 -0.066 0.000 2.032 43 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 43 K C 1.666 178.245 176.600 -0.035 0.000 1.048 43 K CA 1.834 58.099 56.287 -0.036 0.000 0.927 43 K CB -0.012 32.470 32.500 -0.031 0.000 0.712 43 K HN 0.134 nan 8.250 nan 0.000 0.441 44 E N -0.929 119.240 120.200 -0.052 0.000 2.516 44 E HA -0.023 4.327 4.350 -0.000 0.000 0.199 44 E C 0.755 177.337 176.600 -0.030 0.000 1.069 44 E CA 0.379 56.757 56.400 -0.036 0.000 0.876 44 E CB 0.044 29.716 29.700 -0.046 0.000 0.843 44 E HN 0.646 nan 8.360 nan 0.000 0.530 45 G N 1.527 110.303 108.800 -0.041 0.000 2.196 45 G HA2 -0.418 3.541 3.960 -0.000 0.000 0.268 45 G HA3 -0.418 3.541 3.960 -0.000 0.000 0.268 45 G C 0.935 175.820 174.900 -0.024 0.000 0.975 45 G CA 1.021 46.107 45.100 -0.024 0.000 0.648 45 G HN 0.315 nan 8.290 nan 0.000 0.538 46 K N -0.277 120.086 120.400 -0.061 0.000 2.097 46 K HA 0.123 4.443 4.320 -0.000 0.000 0.206 46 K C 1.660 178.212 176.600 -0.080 0.000 1.049 46 K CA 1.510 57.768 56.287 -0.049 0.000 0.933 46 K CB -0.056 32.344 32.500 -0.166 0.000 0.717 46 K HN 0.834 nan 8.250 nan 0.000 0.442 47 I N -3.993 116.463 120.570 -0.189 0.000 3.206 47 I HA 0.444 4.614 4.170 -0.000 0.000 0.313 47 I C -0.924 175.131 176.117 -0.104 0.000 1.103 47 I CA -1.001 60.163 61.300 -0.227 0.000 0.985 47 I CB 2.512 40.240 38.000 -0.454 0.000 1.240 47 I HN -0.342 nan 8.210 nan 0.000 0.464 48 S N 1.081 116.769 115.700 -0.020 0.000 2.543 48 S HA 0.310 4.780 4.470 -0.000 0.000 0.271 48 S C -0.935 173.739 174.600 0.124 0.000 1.148 48 S CA -0.783 57.457 58.200 0.067 0.000 0.914 48 S CB 1.778 64.985 63.200 0.012 0.000 1.096 48 S HN 0.654 nan 8.310 nan 0.000 0.471 49 K N 2.603 123.072 120.400 0.116 0.000 2.489 49 K HA 0.231 4.551 4.320 -0.000 0.000 0.278 49 K C -0.804 175.721 176.600 -0.126 0.000 1.000 49 K CA 0.340 56.560 56.287 -0.111 0.000 1.012 49 K CB 0.272 32.700 32.500 -0.121 0.000 0.903 49 K HN 0.651 nan 8.250 nan 0.000 0.485 50 I N 3.044 123.494 120.570 -0.199 0.000 2.545 50 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 50 I C 0.089 176.115 176.117 -0.152 0.000 1.040 50 I CA -0.602 60.606 61.300 -0.152 0.000 1.068 50 I CB 1.690 39.597 38.000 -0.155 0.000 1.251 50 I HN 0.774 nan 8.210 nan 0.000 0.424 51 G N 5.958 114.690 108.800 -0.113 0.000 2.599 51 G HA2 0.445 4.405 3.960 -0.000 0.000 0.264 51 G HA3 0.445 4.405 3.960 -0.000 0.000 0.264 51 G C -2.560 172.281 174.900 -0.100 0.000 1.200 51 G CA -0.993 44.046 45.100 -0.101 0.000 0.896 51 G HN 0.463 nan 8.290 nan 0.000 0.536 52 P HA 0.001 nan 4.420 nan 0.000 0.271 52 P C -0.045 177.201 177.300 -0.089 0.000 1.197 52 P CA 0.374 63.421 63.100 -0.088 0.000 0.777 52 P CB 0.297 31.952 31.700 -0.074 0.000 0.827 53 E N 0.462 120.604 120.200 -0.098 0.000 2.240 53 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 53 E C -0.211 176.308 176.600 -0.135 0.000 1.385 53 E CA 0.604 56.935 56.400 -0.115 0.000 0.686 53 E CB -1.732 27.909 29.700 -0.097 0.000 1.125 53 E HN 0.494 nan 8.360 nan 0.000 0.359 54 N N 0.733 119.346 118.700 -0.146 0.000 2.886 54 N HA 0.175 4.915 4.740 -0.000 0.000 0.285 54 N C -1.603 173.768 175.510 -0.232 0.000 1.706 54 N CA -1.932 51.036 53.050 -0.137 0.000 0.904 54 N CB 0.661 39.103 38.487 -0.075 0.000 1.224 54 N HN -0.094 nan 8.380 nan 0.000 0.488 55 P HA -0.229 nan 4.420 nan 0.000 0.221 55 P C -0.483 176.584 177.300 -0.389 0.000 1.142 55 P CA 1.224 64.057 63.100 -0.444 0.000 0.804 55 P CB -0.267 31.086 31.700 -0.578 0.000 0.756 56 Y N 0.214 120.500 120.300 -0.023 0.000 2.327 56 Y HA 0.428 4.978 4.550 -0.000 0.000 0.336 56 Y C 1.097 177.001 175.900 0.005 0.000 1.035 56 Y CA -0.769 57.339 58.100 0.013 0.000 1.165 56 Y CB 0.491 38.971 38.460 0.032 0.000 1.181 56 Y HN -0.123 nan 8.280 nan 0.000 0.494 57 N N 0.509 119.312 118.700 0.172 0.000 2.357 57 N HA 0.646 5.386 4.740 -0.000 0.000 0.284 57 N C -1.629 173.957 175.510 0.127 0.000 1.236 57 N CA -0.473 52.644 53.050 0.110 0.000 0.774 57 N CB 1.998 40.505 38.487 0.033 0.000 1.534 57 N HN 0.530 nan 8.380 nan 0.000 0.478 58 T N 1.420 116.047 114.554 0.121 0.000 2.916 58 T HA 0.497 4.847 4.350 -0.000 0.000 0.305 58 T C -2.898 171.802 174.700 -0.001 0.000 1.119 58 T CA -0.898 61.244 62.100 0.070 0.000 1.008 58 T CB 2.046 70.961 68.868 0.080 0.000 1.129 58 T HN 0.313 nan 8.240 nan 0.000 0.480 59 P HA 0.315 nan 4.420 nan 0.000 0.271 59 P C -0.943 176.208 177.300 -0.248 0.000 1.220 59 P CA -0.270 62.739 63.100 -0.152 0.000 0.768 59 P CB 0.477 32.247 31.700 0.117 0.000 0.848 60 V N 4.228 123.849 119.914 -0.488 0.000 2.732 60 V HA 0.549 4.669 4.120 -0.000 0.000 0.310 60 V C -0.319 175.368 176.094 -0.678 0.000 1.053 60 V CA -0.346 61.696 62.300 -0.430 0.000 0.957 60 V CB 1.234 32.832 31.823 -0.374 0.000 1.018 60 V HN 0.364 nan 8.190 nan 0.000 0.452 61 F N 1.280 121.179 119.950 -0.086 0.000 3.361 61 F HA 0.568 5.095 4.527 -0.000 0.000 0.390 61 F C 0.460 176.233 175.800 -0.046 0.000 1.251 61 F CA -0.436 57.543 58.000 -0.035 0.000 1.260 61 F CB 0.979 39.985 39.000 0.009 0.000 1.847 61 F HN 0.629 nan 8.300 nan 0.000 0.673 62 A N 4.051 126.896 122.820 0.041 0.000 2.584 62 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 62 A C -0.141 177.502 177.584 0.099 0.000 1.043 62 A CA 0.550 52.575 52.037 -0.019 0.000 0.756 62 A CB 0.103 18.959 19.000 -0.240 0.000 0.963 62 A HN 0.692 nan 8.150 nan 0.000 0.511 63 I N 1.760 122.444 120.570 0.190 0.000 2.545 63 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 63 I C -0.101 176.264 176.117 0.415 0.000 1.040 63 I CA -1.037 60.409 61.300 0.243 0.000 1.068 63 I CB 2.190 40.282 38.000 0.154 0.000 1.251 63 I HN 0.598 nan 8.210 nan 0.000 0.424 64 K N 4.428 125.053 120.400 0.376 0.000 2.205 64 K HA 0.152 4.472 4.320 -0.000 0.000 0.279 64 K C 0.518 177.144 176.600 0.044 0.000 1.027 64 K CA -0.235 56.179 56.287 0.213 0.000 0.932 64 K CB 1.206 33.818 32.500 0.187 0.000 1.032 64 K HN 0.357 nan 8.250 nan 0.000 0.466 65 K N 2.836 123.197 120.400 -0.065 0.000 2.362 65 K HA -0.049 4.271 4.320 -0.000 0.000 0.200 65 K C -0.256 176.312 176.600 -0.054 0.000 1.046 65 K CA 1.443 57.700 56.287 -0.051 0.000 0.952 65 K CB 0.000 32.451 32.500 -0.082 0.000 0.753 65 K HN 0.737 nan 8.250 nan 0.000 0.466 66 K N -1.649 118.707 120.400 -0.074 0.000 3.553 66 K HA -0.226 4.094 4.320 -0.000 0.000 0.303 66 K C -0.110 176.446 176.600 -0.073 0.000 1.327 66 K CA 1.472 57.724 56.287 -0.058 0.000 0.983 66 K CB -1.426 31.057 32.500 -0.028 0.000 1.275 66 K HN 0.326 nan 8.250 nan 0.000 0.453 67 D N -0.078 120.264 120.400 -0.097 0.000 2.479 67 D HA 0.075 4.715 4.640 -0.000 0.000 0.216 67 D C -0.179 176.041 176.300 -0.135 0.000 1.110 67 D CA 0.762 54.707 54.000 -0.091 0.000 0.841 67 D CB 0.589 41.348 40.800 -0.069 0.000 1.040 67 D HN 0.157 nan 8.370 nan 0.000 0.505 68 S N -0.077 115.499 115.700 -0.207 0.000 3.378 68 S HA -0.232 4.238 4.470 -0.000 0.000 0.365 68 S C 1.036 175.485 174.600 -0.251 0.000 0.951 68 S CA 0.956 58.961 58.200 -0.326 0.000 1.274 68 S CB -1.260 61.731 63.200 -0.347 0.000 0.915 68 S HN 0.356 nan 8.310 nan 0.000 0.513 69 T N 1.723 116.163 114.554 -0.190 0.000 3.037 69 T HA 0.165 4.515 4.350 -0.000 0.000 0.252 69 T C 0.520 175.144 174.700 -0.125 0.000 1.073 69 T CA 0.770 62.795 62.100 -0.125 0.000 1.091 69 T CB 0.095 68.916 68.868 -0.078 0.000 0.935 69 T HN 0.753 nan 8.240 nan 0.000 0.488 70 K N -1.014 119.286 120.400 -0.168 0.000 2.755 70 K HA 0.235 4.555 4.320 -0.000 0.000 0.294 70 K C -1.835 174.676 176.600 -0.148 0.000 1.060 70 K CA -0.865 55.358 56.287 -0.106 0.000 0.845 70 K CB 0.923 33.417 32.500 -0.010 0.000 1.539 70 K HN -0.014 nan 8.250 nan 0.000 0.379 71 W N 0.993 122.294 121.300 0.000 0.000 2.576 71 W HA 0.550 5.210 4.660 -0.000 0.000 0.360 71 W C -0.126 176.393 176.519 0.000 0.000 1.109 71 W CA -0.547 56.799 57.345 0.002 0.000 1.237 71 W CB 2.014 31.474 29.460 0.001 0.000 1.369 71 W HN 0.488 nan 8.180 nan 0.000 0.609 72 R N 2.359 123.063 120.500 0.339 0.000 2.628 72 R HA 0.240 4.580 4.340 -0.000 0.000 0.288 72 R C -0.488 175.890 176.300 0.129 0.000 0.980 72 R CA -0.737 55.469 56.100 0.177 0.000 0.891 72 R CB 2.242 32.621 30.300 0.131 0.000 1.188 72 R HN 0.408 nan 8.270 nan 0.000 0.450 73 K N 4.013 124.450 120.400 0.062 0.000 2.249 73 K HA 0.277 4.597 4.320 -0.000 0.000 0.280 73 K C -1.423 175.195 176.600 0.032 0.000 1.033 73 K CA -0.445 55.841 56.287 -0.002 0.000 0.946 73 K CB 0.827 33.276 32.500 -0.084 0.000 1.005 73 K HN 0.334 nan 8.250 nan 0.000 0.469 74 L N 4.717 125.949 121.223 0.016 0.000 2.470 74 L HA 0.360 4.700 4.340 -0.000 0.000 0.268 74 L C -1.655 175.225 176.870 0.016 0.000 0.964 74 L CA -0.588 54.283 54.840 0.052 0.000 0.839 74 L CB 1.924 44.038 42.059 0.092 0.000 1.276 74 L HN 0.406 nan 8.230 nan 0.000 0.403 75 V N 2.917 122.811 119.914 -0.034 0.000 2.732 75 V HA 0.469 4.589 4.120 -0.000 0.000 0.310 75 V C -0.678 175.326 176.094 -0.150 0.000 1.053 75 V CA -0.548 61.627 62.300 -0.208 0.000 0.957 75 V CB 1.857 33.359 31.823 -0.535 0.000 1.018 75 V HN 0.808 nan 8.190 nan 0.000 0.452 76 D N 1.325 121.634 120.400 -0.152 0.000 2.479 76 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 76 D C 0.262 176.544 176.300 -0.030 0.000 1.119 76 D CA -0.178 53.818 54.000 -0.007 0.000 0.922 76 D CB 0.173 41.043 40.800 0.118 0.000 1.014 76 D HN 0.418 nan 8.370 nan 0.000 0.510 77 F N 1.414 121.460 119.950 0.161 0.000 2.811 77 F HA 0.150 4.677 4.527 -0.000 0.000 0.301 77 F C 2.174 178.077 175.800 0.171 0.000 1.151 77 F CA -0.281 57.831 58.000 0.187 0.000 1.412 77 F CB 0.147 39.291 39.000 0.240 0.000 1.113 77 F HN 0.233 nan 8.300 nan 0.000 0.579 78 R N 0.405 121.072 120.500 0.279 0.000 2.159 78 R HA -0.293 4.047 4.340 -0.000 0.000 0.252 78 R C 1.943 178.355 176.300 0.186 0.000 1.144 78 R CA 2.144 58.358 56.100 0.191 0.000 0.961 78 R CB -0.474 29.900 30.300 0.123 0.000 0.877 78 R HN 0.192 nan 8.270 nan 0.000 0.444 79 E N 0.477 120.789 120.200 0.187 0.000 2.152 79 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 79 E C 1.679 178.400 176.600 0.201 0.000 0.983 79 E CA 0.597 57.095 56.400 0.163 0.000 0.818 79 E CB -0.078 29.701 29.700 0.132 0.000 0.758 79 E HN 0.142 nan 8.360 nan 0.000 0.467 80 L N 0.667 122.073 121.223 0.304 0.000 2.005 80 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 80 L C 1.487 178.545 176.870 0.313 0.000 1.072 80 L CA 1.768 56.809 54.840 0.335 0.000 0.744 80 L CB -0.942 41.412 42.059 0.492 0.000 0.895 80 L HN 0.059 nan 8.230 nan 0.000 0.433 81 N N 0.403 119.289 118.700 0.310 0.000 2.037 81 N HA -0.276 4.464 4.740 -0.000 0.000 0.196 81 N C 1.792 177.371 175.510 0.116 0.000 1.034 81 N CA 1.675 54.830 53.050 0.174 0.000 0.861 81 N CB -0.487 38.088 38.487 0.146 0.000 1.039 81 N HN 0.215 nan 8.380 nan 0.000 0.427 82 K N 0.837 121.307 120.400 0.117 0.000 2.519 82 K HA 0.042 4.362 4.320 -0.000 0.000 0.196 82 K C 1.037 177.679 176.600 0.070 0.000 1.041 82 K CA 0.936 57.271 56.287 0.079 0.000 0.954 82 K CB 0.155 32.702 32.500 0.079 0.000 0.774 82 K HN 0.197 nan 8.250 nan 0.000 0.480 83 R N -0.876 119.682 120.500 0.097 0.000 2.446 83 R HA 0.107 4.447 4.340 -0.000 0.000 0.254 83 R C -0.188 176.164 176.300 0.086 0.000 0.918 83 R CA 0.358 56.500 56.100 0.070 0.000 1.069 83 R CB 0.884 31.216 30.300 0.053 0.000 1.194 83 R HN 0.158 nan 8.270 nan 0.000 0.534 84 T N -0.286 114.353 114.554 0.141 0.000 2.909 84 T HA 0.195 4.545 4.350 -0.000 0.000 0.286 84 T C 0.314 174.969 174.700 -0.075 0.000 1.002 84 T CA -0.956 61.231 62.100 0.147 0.000 1.074 84 T CB 1.657 70.674 68.868 0.249 0.000 0.984 84 T HN 0.141 nan 8.240 nan 0.000 0.495 85 Q N 1.853 121.508 119.800 -0.242 0.000 2.540 85 Q HA 0.096 4.436 4.340 -0.000 0.000 0.256 85 Q C -0.782 174.876 176.000 -0.569 0.000 1.084 85 Q CA -0.314 55.253 55.803 -0.393 0.000 0.956 85 Q CB 0.265 28.698 28.738 -0.509 0.000 1.303 85 Q HN 0.615 nan 8.270 nan 0.000 0.509 86 D N 0.420 120.570 120.400 -0.418 0.000 2.344 86 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 86 D C -0.619 175.367 176.300 -0.522 0.000 1.134 86 D CA 0.232 54.057 54.000 -0.291 0.000 0.930 86 D CB 0.472 41.203 40.800 -0.116 0.000 1.175 86 D HN 0.341 nan 8.370 nan 0.000 0.437 87 F N -0.721 119.182 119.950 -0.077 0.000 2.679 87 F HA 0.272 4.799 4.527 -0.000 0.000 0.341 87 F C 0.082 175.945 175.800 0.105 0.000 1.095 87 F CA -1.200 56.780 58.000 -0.033 0.000 1.004 87 F CB 1.018 39.942 39.000 -0.127 0.000 1.388 87 F HN 0.296 nan 8.300 nan 0.000 0.505 88 W N 3.214 124.589 121.300 0.125 0.000 2.605 88 W HA 0.175 4.835 4.660 -0.000 0.000 0.327 88 W C -0.438 176.103 176.519 0.037 0.000 1.332 88 W CA -0.493 56.880 57.345 0.046 0.000 1.403 88 W CB 0.328 29.802 29.460 0.024 0.000 1.452 88 W HN 0.544 nan 8.180 nan 0.000 0.503 89 E N 3.892 123.808 120.200 -0.472 0.000 2.868 89 E HA -0.089 4.261 4.350 -0.000 0.000 0.246 89 E C 0.499 176.646 176.600 -0.754 0.000 0.962 89 E CA 0.123 56.181 56.400 -0.571 0.000 0.955 89 E CB 0.405 29.781 29.700 -0.540 0.000 0.903 89 E HN 0.357 nan 8.360 nan 0.000 0.524 90 V N 1.121 120.805 119.914 -0.385 0.000 3.109 90 V HA 0.137 4.256 4.120 -0.000 0.000 0.317 90 V C 0.960 176.958 176.094 -0.160 0.000 1.074 90 V CA -0.844 61.295 62.300 -0.269 0.000 1.033 90 V CB 1.655 33.396 31.823 -0.136 0.000 1.111 90 V HN 0.930 nan 8.190 nan 0.000 0.458 91 Q N -0.640 119.133 119.800 -0.045 0.000 2.401 91 Q HA -0.237 4.103 4.340 -0.000 0.000 0.244 91 Q C 0.864 176.862 176.000 -0.004 0.000 0.941 91 Q CA 1.199 57.037 55.803 0.058 0.000 1.179 91 Q CB -0.785 28.051 28.738 0.162 0.000 1.665 91 Q HN 0.898 nan 8.270 nan 0.000 0.547 92 L N -1.036 120.124 121.223 -0.105 0.000 2.261 92 L HA -0.081 4.259 4.340 -0.000 0.000 0.216 92 L C 1.255 178.105 176.870 -0.034 0.000 1.114 92 L CA 1.494 56.273 54.840 -0.102 0.000 0.777 92 L CB -0.204 41.740 42.059 -0.191 0.000 0.910 92 L HN 0.384 nan 8.230 nan 0.000 0.440 93 G N -0.242 108.555 108.800 -0.005 0.000 2.591 93 G HA2 0.527 4.487 3.960 -0.000 0.000 0.306 93 G HA3 0.527 4.487 3.960 -0.000 0.000 0.306 93 G C -1.296 173.635 174.900 0.051 0.000 1.334 93 G CA -0.360 44.750 45.100 0.017 0.000 0.981 93 G HN -0.022 nan 8.290 nan 0.000 0.491 94 I N 1.897 122.497 120.570 0.050 0.000 2.530 94 I HA 0.640 4.810 4.170 -0.000 0.000 0.297 94 I C -1.968 174.179 176.117 0.049 0.000 1.011 94 I CA -2.474 58.884 61.300 0.095 0.000 1.107 94 I CB 2.653 40.678 38.000 0.043 0.000 1.285 94 I HN 0.321 nan 8.210 nan 0.000 0.436 95 P HA 0.134 nan 4.420 nan 0.000 0.269 95 P C -1.338 175.866 177.300 -0.159 0.000 1.209 95 P CA 0.343 63.346 63.100 -0.162 0.000 0.776 95 P CB 0.498 31.939 31.700 -0.431 0.000 0.876 96 H N 2.494 121.338 119.070 -0.376 0.000 2.458 96 H HA 0.247 4.803 4.556 -0.000 0.000 0.330 96 H C -1.585 173.333 175.328 -0.683 0.000 1.111 96 H CA -1.877 53.874 56.048 -0.495 0.000 1.245 96 H CB 1.496 30.973 29.762 -0.476 0.000 1.456 96 H HN 0.186 nan 8.280 nan 0.000 0.488 97 P HA -0.204 nan 4.420 nan 0.000 0.216 97 P C 0.875 177.782 177.300 -0.656 0.000 1.150 97 P CA 1.951 64.489 63.100 -0.937 0.000 0.843 97 P CB 0.070 30.924 31.700 -1.408 0.000 0.787 98 A N -0.665 121.927 122.820 -0.381 0.000 2.178 98 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 98 A C 2.150 179.821 177.584 0.145 0.000 1.157 98 A CA 1.747 53.801 52.037 0.027 0.000 0.689 98 A CB -1.457 17.585 19.000 0.070 0.000 0.787 98 A HN 0.336 nan 8.150 nan 0.000 0.465 99 G N -1.130 107.545 108.800 -0.208 0.000 3.044 99 G HA2 0.388 4.348 3.960 -0.000 0.000 0.223 99 G HA3 0.388 4.348 3.960 -0.000 0.000 0.223 99 G C 0.427 175.239 174.900 -0.145 0.000 1.123 99 G CA -0.383 44.549 45.100 -0.279 0.000 0.765 99 G HN 0.370 nan 8.290 nan 0.000 0.546 100 L N 1.081 122.144 121.223 -0.267 0.000 2.426 100 L HA 0.271 4.611 4.340 -0.000 0.000 0.271 100 L C 0.634 177.414 176.870 -0.150 0.000 1.169 100 L CA -0.305 54.324 54.840 -0.352 0.000 0.836 100 L CB 0.878 42.522 42.059 -0.693 0.000 1.112 100 L HN -0.034 nan 8.230 nan 0.000 0.465 101 K N 3.405 123.767 120.400 -0.063 0.000 2.234 101 K HA 0.174 4.493 4.320 -0.000 0.000 0.282 101 K C -0.329 176.285 176.600 0.024 0.000 1.039 101 K CA -0.646 55.679 56.287 0.063 0.000 0.928 101 K CB 0.672 33.215 32.500 0.071 0.000 1.039 101 K HN 0.402 nan 8.250 nan 0.000 0.470 102 K N 3.775 124.251 120.400 0.127 0.000 2.477 102 K HA -0.080 4.240 4.320 -0.000 0.000 0.275 102 K C -0.354 176.302 176.600 0.092 0.000 1.054 102 K CA 0.804 57.200 56.287 0.182 0.000 1.135 102 K CB 0.275 32.859 32.500 0.140 0.000 0.854 102 K HN 0.366 nan 8.250 nan 0.000 0.484 103 K N 2.618 123.081 120.400 0.106 0.000 2.480 103 K HA 0.286 4.606 4.320 -0.000 0.000 0.258 103 K C 0.448 177.081 176.600 0.055 0.000 0.990 103 K CA -0.793 55.523 56.287 0.048 0.000 0.857 103 K CB 1.539 34.044 32.500 0.008 0.000 1.384 103 K HN 0.234 nan 8.250 nan 0.000 0.446 104 K N 0.593 120.997 120.400 0.008 0.000 2.025 104 K HA 0.058 4.378 4.320 -0.000 0.000 0.211 104 K C 0.822 177.403 176.600 -0.032 0.000 1.029 104 K CA 0.752 57.038 56.287 -0.002 0.000 0.948 104 K CB -0.177 32.310 32.500 -0.022 0.000 0.768 104 K HN 0.713 nan 8.250 nan 0.000 0.446 105 S N 0.558 116.157 115.700 -0.170 0.000 2.617 105 S HA 0.519 4.989 4.470 -0.000 0.000 0.283 105 S C -0.363 174.096 174.600 -0.234 0.000 1.189 105 S CA -0.856 57.169 58.200 -0.291 0.000 1.036 105 S CB 1.852 64.576 63.200 -0.795 0.000 1.014 105 S HN -0.012 nan 8.310 nan 0.000 0.522 106 V N 1.992 121.909 119.914 0.005 0.000 2.752 106 V HA 0.608 4.728 4.120 -0.000 0.000 0.302 106 V C -0.636 175.639 176.094 0.302 0.000 1.133 106 V CA -0.467 61.908 62.300 0.126 0.000 0.919 106 V CB 2.066 33.946 31.823 0.096 0.000 1.026 106 V HN 1.214 nan 8.190 nan 0.000 0.429 107 T N 1.417 116.157 114.554 0.311 0.000 2.881 107 T HA 0.684 5.034 4.350 -0.000 0.000 0.291 107 T C -0.532 174.285 174.700 0.194 0.000 0.990 107 T CA -0.602 61.698 62.100 0.333 0.000 0.976 107 T CB 1.563 70.571 68.868 0.233 0.000 0.970 107 T HN 0.570 nan 8.240 nan 0.000 0.438 108 V N 4.403 124.476 119.914 0.265 0.000 3.133 108 V HA 0.639 4.759 4.120 -0.000 0.000 0.305 108 V C -0.654 175.432 176.094 -0.014 0.000 1.084 108 V CA -0.738 61.576 62.300 0.023 0.000 1.089 108 V CB 0.965 32.848 31.823 0.100 0.000 1.073 108 V HN 0.935 nan 8.190 nan 0.000 0.477 109 L N 3.674 124.801 121.223 -0.161 0.000 2.518 109 L HA 0.345 4.685 4.340 -0.000 0.000 0.262 109 L C -0.724 176.093 176.870 -0.088 0.000 0.982 109 L CA -0.535 54.256 54.840 -0.082 0.000 0.873 109 L CB 1.581 43.584 42.059 -0.093 0.000 1.198 109 L HN 0.774 nan 8.230 nan 0.000 0.427 110 D N 2.933 123.317 120.400 -0.026 0.000 2.598 110 D HA 0.082 4.721 4.640 -0.000 0.000 0.231 110 D C 0.027 176.322 176.300 -0.009 0.000 1.127 110 D CA -0.236 53.755 54.000 -0.015 0.000 1.126 110 D CB 0.359 41.172 40.800 0.021 0.000 1.124 110 D HN 0.138 nan 8.370 nan 0.000 0.485 111 V N 3.433 123.339 119.914 -0.014 0.000 2.416 111 V HA 0.208 4.328 4.120 -0.000 0.000 0.267 111 V C 1.833 177.929 176.094 0.004 0.000 1.007 111 V CA 0.099 62.411 62.300 0.020 0.000 1.102 111 V CB -0.105 31.767 31.823 0.080 0.000 1.035 111 V HN 0.536 nan 8.190 nan 0.000 0.473 112 G N 3.466 112.270 108.800 0.007 0.000 2.611 112 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.147 112 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.147 112 G C 0.554 175.439 174.900 -0.026 0.000 1.798 112 G CA 0.081 45.177 45.100 -0.007 0.000 0.973 112 G HN 0.742 nan 8.290 nan 0.000 0.416 113 D N 1.537 121.950 120.400 0.021 0.000 2.612 113 D HA 0.172 4.812 4.640 -0.000 0.000 0.260 113 D C 1.343 177.664 176.300 0.035 0.000 1.315 113 D CA 0.464 54.501 54.000 0.061 0.000 1.376 113 D CB 0.117 41.005 40.800 0.146 0.000 1.147 113 D HN 0.240 nan 8.370 nan 0.000 0.521 114 A N 3.574 126.337 122.820 -0.095 0.000 1.881 114 A HA -0.099 4.221 4.320 -0.000 0.000 0.210 114 A C 1.531 179.000 177.584 -0.191 0.000 1.239 114 A CA 0.230 52.162 52.037 -0.174 0.000 0.629 114 A CB -0.522 18.135 19.000 -0.572 0.000 0.906 114 A HN 0.502 nan 8.150 nan 0.000 0.460 115 Y N -0.469 119.448 120.300 -0.639 0.000 2.465 115 Y HA -0.105 4.445 4.550 -0.000 0.000 0.289 115 Y C 1.536 177.286 175.900 -0.250 0.000 1.150 115 Y CA 0.726 58.524 58.100 -0.503 0.000 1.293 115 Y CB -0.726 37.336 38.460 -0.662 0.000 0.977 115 Y HN 0.395 nan 8.280 nan 0.000 0.556 116 F N -2.336 117.696 119.950 0.135 0.000 2.727 116 F HA 0.061 4.588 4.527 -0.000 0.000 0.302 116 F C 1.920 177.788 175.800 0.113 0.000 1.097 116 F CA -0.111 57.969 58.000 0.134 0.000 1.330 116 F CB 0.254 39.326 39.000 0.120 0.000 1.084 116 F HN -0.156 nan 8.300 nan 0.000 0.578 117 S N -0.568 115.282 115.700 0.250 0.000 2.475 117 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 117 S C 0.744 175.459 174.600 0.192 0.000 1.042 117 S CA 0.033 58.355 58.200 0.203 0.000 0.935 117 S CB 0.283 63.594 63.200 0.185 0.000 0.801 117 S HN -0.119 nan 8.310 nan 0.000 0.509 118 V N 4.373 124.402 119.914 0.191 0.000 2.530 118 V HA 0.263 4.382 4.120 -0.000 0.000 0.282 118 V C -2.244 173.938 176.094 0.146 0.000 1.048 118 V CA -1.951 60.444 62.300 0.159 0.000 0.997 118 V CB 0.699 32.612 31.823 0.150 0.000 0.987 118 V HN 0.136 nan 8.190 nan 0.000 0.477 119 P HA 0.293 nan 4.420 nan 0.000 0.280 119 P C -0.964 176.397 177.300 0.101 0.000 1.278 119 P CA -0.352 62.819 63.100 0.117 0.000 0.787 119 P CB 0.491 32.254 31.700 0.104 0.000 1.163 120 L N 0.043 121.321 121.223 0.091 0.000 2.455 120 L HA 0.449 4.789 4.340 -0.000 0.000 0.264 120 L C -1.023 175.903 176.870 0.092 0.000 0.968 120 L CA -0.865 54.017 54.840 0.069 0.000 0.827 120 L CB 1.667 43.734 42.059 0.013 0.000 1.317 120 L HN 0.149 nan 8.230 nan 0.000 0.407 121 D N 2.570 123.041 120.400 0.119 0.000 2.772 121 D HA -0.126 4.514 4.640 -0.000 0.000 0.227 121 D C 1.107 177.494 176.300 0.145 0.000 1.114 121 D CA 0.798 54.883 54.000 0.142 0.000 0.832 121 D CB 0.974 41.882 40.800 0.179 0.000 1.154 121 D HN 0.721 nan 8.370 nan 0.000 0.514 122 E N 3.087 123.353 120.200 0.111 0.000 2.065 122 E HA -0.258 4.092 4.350 -0.000 0.000 0.201 122 E C 1.016 177.674 176.600 0.096 0.000 1.016 122 E CA 2.176 58.628 56.400 0.087 0.000 0.818 122 E CB -0.038 29.702 29.700 0.067 0.000 0.749 122 E HN 0.615 nan 8.360 nan 0.000 0.453 123 D N -0.857 119.623 120.400 0.134 0.000 2.218 123 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 123 D C 1.387 177.824 176.300 0.227 0.000 0.976 123 D CA 0.710 54.800 54.000 0.150 0.000 0.853 123 D CB -0.298 40.610 40.800 0.180 0.000 0.939 123 D HN 0.248 nan 8.370 nan 0.000 0.481 124 F N 1.416 121.450 119.950 0.140 0.000 2.804 124 F HA 0.125 4.652 4.527 -0.000 0.000 0.303 124 F C 2.005 177.859 175.800 0.090 0.000 1.154 124 F CA -0.022 58.128 58.000 0.249 0.000 1.401 124 F CB 0.020 39.146 39.000 0.210 0.000 1.106 124 F HN -0.264 nan 8.300 nan 0.000 0.568 125 R N 0.586 121.100 120.500 0.023 0.000 2.090 125 R HA -0.118 4.222 4.340 -0.000 0.000 0.228 125 R C 2.332 178.523 176.300 -0.183 0.000 1.110 125 R CA 1.432 57.500 56.100 -0.054 0.000 0.973 125 R CB -0.259 30.040 30.300 -0.002 0.000 0.869 125 R HN 0.285 nan 8.270 nan 0.000 0.440 126 K N -0.057 120.127 120.400 -0.358 0.000 2.442 126 K HA -0.163 4.157 4.320 -0.000 0.000 0.198 126 K C 0.633 176.895 176.600 -0.563 0.000 1.044 126 K CA 1.451 57.473 56.287 -0.443 0.000 0.948 126 K CB -0.026 32.179 32.500 -0.492 0.000 0.762 126 K HN 0.327 nan 8.250 nan 0.000 0.472 127 Y N 1.687 121.782 120.300 -0.341 0.000 2.478 127 Y HA 0.050 4.600 4.550 -0.000 0.000 0.261 127 Y C 2.189 178.017 175.900 -0.121 0.000 1.127 127 Y CA 0.663 58.524 58.100 -0.398 0.000 1.288 127 Y CB 0.296 38.313 38.460 -0.738 0.000 1.084 127 Y HN 0.196 nan 8.280 nan 0.000 0.530 128 T N -1.694 112.872 114.554 0.021 0.000 3.118 128 T HA 0.234 4.584 4.350 -0.000 0.000 0.260 128 T C 1.139 176.070 174.700 0.385 0.000 1.139 128 T CA 0.180 62.443 62.100 0.272 0.000 1.085 128 T CB -0.545 68.461 68.868 0.230 0.000 0.934 128 T HN 0.248 nan 8.240 nan 0.000 0.518 129 A N 2.210 125.121 122.820 0.151 0.000 2.591 129 A HA 0.421 4.741 4.320 -0.000 0.000 0.244 129 A C 0.035 177.686 177.584 0.111 0.000 1.031 129 A CA -0.141 51.910 52.037 0.024 0.000 0.767 129 A CB -0.935 18.073 19.000 0.014 0.000 0.942 129 A HN 0.726 nan 8.150 nan 0.000 0.514 130 F N -0.015 119.990 119.950 0.092 0.000 2.601 130 F HA 0.784 5.311 4.527 -0.000 0.000 0.309 130 F C -0.389 175.409 175.800 -0.003 0.000 1.089 130 F CA -1.036 56.978 58.000 0.024 0.000 0.940 130 F CB 1.197 40.205 39.000 0.013 0.000 1.273 130 F HN 0.267 nan 8.300 nan 0.000 0.450 131 T N 4.370 119.055 114.554 0.218 0.000 2.807 131 T HA 0.512 4.862 4.350 -0.000 0.000 0.279 131 T C -0.815 173.963 174.700 0.129 0.000 0.993 131 T CA -0.466 61.695 62.100 0.101 0.000 0.970 131 T CB 1.435 70.292 68.868 -0.019 0.000 0.950 131 T HN 0.839 nan 8.240 nan 0.000 0.441 132 I N 5.589 126.236 120.570 0.128 0.000 2.321 132 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 132 I C -2.326 173.789 176.117 -0.004 0.000 0.998 132 I CA -2.882 58.459 61.300 0.067 0.000 1.227 132 I CB 1.634 39.717 38.000 0.139 0.000 1.368 132 I HN 0.347 nan 8.210 nan 0.000 0.466 133 P HA 0.050 nan 4.420 nan 0.000 0.269 133 P C -0.470 176.809 177.300 -0.034 0.000 1.215 133 P CA -0.155 62.925 63.100 -0.034 0.000 0.780 133 P CB 0.568 32.249 31.700 -0.033 0.000 0.898 134 S N 0.717 116.396 115.700 -0.034 0.000 2.481 134 S HA 0.345 4.815 4.470 -0.000 0.000 0.243 134 S C 0.548 175.131 174.600 -0.028 0.000 1.152 134 S CA -0.665 57.514 58.200 -0.033 0.000 1.168 134 S CB -1.193 61.984 63.200 -0.038 0.000 0.835 134 S HN 0.428 nan 8.310 nan 0.000 0.474 135 I N 0.625 121.179 120.570 -0.027 0.000 6.027 135 I HA -0.260 3.910 4.170 -0.000 0.000 0.126 135 I C -0.772 175.335 176.117 -0.017 0.000 1.820 135 I CA 0.004 61.291 61.300 -0.022 0.000 2.038 135 I CB -2.258 35.728 38.000 -0.023 0.000 3.426 135 I HN 0.550 nan 8.210 nan 0.000 0.169 136 N N 1.757 120.449 118.700 -0.013 0.000 2.791 136 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 136 N C 0.547 176.052 175.510 -0.009 0.000 1.082 136 N CA 1.338 54.383 53.050 -0.007 0.000 0.680 136 N CB -1.509 36.975 38.487 -0.005 0.000 0.918 136 N HN 0.954 nan 8.380 nan 0.000 0.555 137 N N -1.290 117.402 118.700 -0.013 0.000 2.967 137 N HA -0.243 4.497 4.740 -0.000 0.000 0.241 137 N C 0.728 176.226 175.510 -0.020 0.000 0.983 137 N CA 1.034 54.075 53.050 -0.016 0.000 0.918 137 N CB -0.559 37.921 38.487 -0.012 0.000 1.109 137 N HN 0.580 nan 8.380 nan 0.000 0.567 138 E N 0.290 120.478 120.200 -0.021 0.000 2.268 138 E HA -0.080 4.269 4.350 -0.000 0.000 0.195 138 E C 0.116 176.699 176.600 -0.028 0.000 0.995 138 E CA 1.780 58.167 56.400 -0.022 0.000 0.836 138 E CB 0.203 29.889 29.700 -0.022 0.000 0.763 138 E HN 0.560 nan 8.360 nan 0.000 0.491 139 T N -2.162 112.372 114.554 -0.033 0.000 2.693 139 T HA 0.213 4.563 4.350 -0.000 0.000 0.304 139 T C -2.629 172.041 174.700 -0.049 0.000 1.471 139 T CA -1.022 61.053 62.100 -0.041 0.000 0.993 139 T CB 1.102 69.942 68.868 -0.046 0.000 1.554 139 T HN -0.189 nan 8.240 nan 0.000 0.496 140 P HA 0.221 nan 4.420 nan 0.000 0.285 140 P C 0.781 178.030 177.300 -0.085 0.000 1.521 140 P CA 0.618 63.676 63.100 -0.069 0.000 0.792 140 P CB -1.124 30.531 31.700 -0.075 0.000 1.613 141 G N 1.495 110.249 108.800 -0.075 0.000 3.176 141 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.405 141 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.405 141 G C -0.067 174.757 174.900 -0.127 0.000 0.496 141 G CA -0.637 44.413 45.100 -0.082 0.000 1.094 141 G HN 0.364 nan 8.290 nan 0.000 0.527 142 I N 2.401 122.892 120.570 -0.131 0.000 2.671 142 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 142 I C 1.202 177.123 176.117 -0.328 0.000 1.148 142 I CA 0.455 61.612 61.300 -0.239 0.000 1.386 142 I CB 0.274 38.179 38.000 -0.158 0.000 1.406 142 I HN 0.456 nan 8.210 nan 0.000 0.540 143 R N 6.163 126.388 120.500 -0.458 0.000 2.393 143 R HA 0.477 4.816 4.340 -0.000 0.000 0.315 143 R C -1.326 174.575 176.300 -0.665 0.000 0.952 143 R CA -0.579 55.252 56.100 -0.450 0.000 0.842 143 R CB 1.202 31.331 30.300 -0.284 0.000 1.163 143 R HN 0.404 nan 8.270 nan 0.000 0.450 144 Y N 1.091 121.063 120.300 -0.545 0.000 2.618 144 Y HA 0.405 4.955 4.550 -0.000 0.000 0.326 144 Y C 0.057 175.499 175.900 -0.764 0.000 1.168 144 Y CA -0.567 57.129 58.100 -0.675 0.000 1.269 144 Y CB 1.511 39.532 38.460 -0.733 0.000 1.388 144 Y HN 0.483 nan 8.280 nan 0.000 0.528 145 Q N -0.284 119.335 119.800 -0.301 0.000 2.391 145 Q HA 0.392 4.732 4.340 -0.000 0.000 0.279 145 Q C -2.228 173.737 176.000 -0.059 0.000 1.028 145 Q CA -0.742 54.958 55.803 -0.172 0.000 0.836 145 Q CB 1.637 30.315 28.738 -0.100 0.000 1.414 145 Q HN 0.654 nan 8.270 nan 0.000 0.397 146 Y N 2.033 122.347 120.300 0.024 0.000 2.310 146 Y HA 0.325 4.875 4.550 -0.000 0.000 0.326 146 Y C 0.676 176.587 175.900 0.019 0.000 1.151 146 Y CA 0.255 58.397 58.100 0.068 0.000 1.195 146 Y CB 1.223 39.757 38.460 0.123 0.000 1.210 146 Y HN 0.686 nan 8.280 nan 0.000 0.483 147 N N 1.231 120.075 118.700 0.239 0.000 2.166 147 N HA 0.090 4.830 4.740 -0.000 0.000 0.213 147 N C -0.230 175.386 175.510 0.177 0.000 1.222 147 N CA 0.367 53.506 53.050 0.148 0.000 0.900 147 N CB 0.991 39.532 38.487 0.090 0.000 1.055 147 N HN 0.381 nan 8.380 nan 0.000 0.515 148 V N -1.858 118.228 119.914 0.288 0.000 3.285 148 V HA 0.571 4.691 4.120 -0.000 0.000 0.302 148 V C 0.101 176.318 176.094 0.204 0.000 1.247 148 V CA -1.010 61.458 62.300 0.280 0.000 1.035 148 V CB 0.858 32.932 31.823 0.418 0.000 1.223 148 V HN -0.159 nan 8.190 nan 0.000 0.475 149 L N 1.870 123.202 121.223 0.182 0.000 2.283 149 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 149 L C -2.370 174.500 176.870 0.001 0.000 1.073 149 L CA -1.482 53.379 54.840 0.034 0.000 0.822 149 L CB 0.795 42.885 42.059 0.051 0.000 1.186 149 L HN 0.435 nan 8.230 nan 0.000 0.436 150 P HA -0.125 nan 4.420 nan 0.000 0.258 150 P C 0.216 177.485 177.300 -0.050 0.000 1.172 150 P CA 0.298 63.061 63.100 -0.563 0.000 0.762 150 P CB 0.347 31.426 31.700 -1.036 0.000 0.764 151 Q N 2.711 122.570 119.800 0.098 0.000 2.624 151 Q HA -0.064 4.276 4.340 -0.000 0.000 0.219 151 Q C 0.716 176.725 176.000 0.017 0.000 0.973 151 Q CA 0.869 56.623 55.803 -0.082 0.000 0.983 151 Q CB -0.666 28.002 28.738 -0.118 0.000 0.992 151 Q HN 0.694 nan 8.270 nan 0.000 0.574 152 G N -0.648 108.265 108.800 0.189 0.000 5.103 152 G HA2 -0.009 3.950 3.960 -0.000 0.000 0.233 152 G HA3 -0.009 3.950 3.960 -0.000 0.000 0.233 152 G C -0.942 174.133 174.900 0.293 0.000 0.910 152 G CA -0.717 44.517 45.100 0.222 0.000 0.763 152 G HN 0.269 nan 8.290 nan 0.000 0.290 153 W N 1.388 122.637 121.300 -0.085 0.000 2.089 153 W HA 0.557 5.217 4.660 -0.000 0.000 0.362 153 W C 1.381 177.849 176.519 -0.085 0.000 1.362 153 W CA -0.597 56.625 57.345 -0.205 0.000 1.460 153 W CB 1.172 30.381 29.460 -0.418 0.000 1.204 153 W HN -0.069 nan 8.180 nan 0.000 0.657 154 K N 0.445 120.430 120.400 -0.692 0.000 2.007 154 K HA 0.013 4.332 4.320 -0.000 0.000 0.206 154 K C 1.486 177.565 176.600 -0.869 0.000 1.047 154 K CA 1.501 57.415 56.287 -0.622 0.000 0.937 154 K CB -0.791 31.438 32.500 -0.452 0.000 0.718 154 K HN 0.608 nan 8.250 nan 0.000 0.438 155 G N 0.017 107.725 108.800 -1.821 0.000 3.496 155 G HA2 0.020 3.980 3.960 -0.000 0.000 0.273 155 G HA3 0.020 3.980 3.960 -0.000 0.000 0.273 155 G C 0.708 174.950 174.900 -1.098 0.000 1.279 155 G CA -0.263 43.495 45.100 -2.238 0.000 1.041 155 G HN 0.155 nan 8.290 nan 0.000 0.539 156 S N 1.055 116.463 115.700 -0.486 0.000 2.356 156 S HA 0.024 4.494 4.470 -0.000 0.000 0.219 156 S C 0.130 174.531 174.600 -0.331 0.000 1.036 156 S CA 0.785 58.914 58.200 -0.120 0.000 0.965 156 S CB -0.128 63.216 63.200 0.240 0.000 0.864 156 S HN 0.262 nan 8.310 nan 0.000 0.471 157 P HA -0.061 nan 4.420 nan 0.000 0.216 157 P C 1.297 178.495 177.300 -0.171 0.000 1.153 157 P CA 1.532 64.549 63.100 -0.138 0.000 0.858 157 P CB -0.129 31.569 31.700 -0.004 0.000 0.789 158 A N -0.110 122.567 122.820 -0.239 0.000 1.829 158 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 158 A C 2.216 179.681 177.584 -0.198 0.000 1.207 158 A CA 1.849 53.763 52.037 -0.206 0.000 0.622 158 A CB -1.747 17.104 19.000 -0.250 0.000 0.846 158 A HN 0.074 nan 8.150 nan 0.000 0.447 159 I N -1.371 119.042 120.570 -0.262 0.000 2.290 159 I HA -0.308 3.861 4.170 -0.000 0.000 0.253 159 I C 2.348 178.381 176.117 -0.141 0.000 1.112 159 I CA 1.854 63.058 61.300 -0.159 0.000 1.377 159 I CB -0.441 37.494 38.000 -0.109 0.000 1.060 159 I HN 0.505 nan 8.210 nan 0.000 0.428 160 F N 1.645 121.379 119.950 -0.359 0.000 2.022 160 F HA -0.247 4.280 4.527 -0.000 0.000 0.293 160 F C 2.696 178.336 175.800 -0.266 0.000 1.142 160 F CA 1.905 59.664 58.000 -0.402 0.000 1.177 160 F CB -0.930 37.632 39.000 -0.731 0.000 0.982 160 F HN -0.015 nan 8.300 nan 0.000 0.473 161 Q N 0.169 119.664 119.800 -0.509 0.000 2.133 161 Q HA -0.264 4.076 4.340 -0.000 0.000 0.208 161 Q C 2.426 178.206 176.000 -0.367 0.000 0.991 161 Q CA 2.324 57.831 55.803 -0.494 0.000 0.867 161 Q CB -0.500 28.111 28.738 -0.212 0.000 0.911 161 Q HN 0.586 nan 8.270 nan 0.000 0.417 162 S N -0.243 115.313 115.700 -0.241 0.000 2.380 162 S HA -0.186 4.284 4.470 -0.000 0.000 0.217 162 S C 2.057 176.520 174.600 -0.228 0.000 1.036 162 S CA 2.040 60.143 58.200 -0.162 0.000 1.050 162 S CB -0.572 62.574 63.200 -0.089 0.000 1.016 162 S HN 0.506 nan 8.310 nan 0.000 0.419 163 S N 1.558 117.117 115.700 -0.235 0.000 2.393 163 S HA -0.257 4.213 4.470 -0.000 0.000 0.234 163 S C 1.835 176.220 174.600 -0.359 0.000 1.064 163 S CA 2.074 60.128 58.200 -0.244 0.000 1.088 163 S CB -0.768 62.324 63.200 -0.180 0.000 0.939 163 S HN 0.642 nan 8.310 nan 0.000 0.448 164 M N 1.814 121.093 119.600 -0.534 0.000 2.084 164 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 164 M C 2.117 178.189 176.300 -0.380 0.000 1.072 164 M CA 2.019 56.992 55.300 -0.546 0.000 1.107 164 M CB -1.629 30.523 32.600 -0.747 0.000 1.299 164 M HN 0.208 nan 8.290 nan 0.000 0.413 165 T N 1.224 115.592 114.554 -0.309 0.000 2.653 165 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 165 T C 1.755 176.343 174.700 -0.186 0.000 1.037 165 T CA 2.240 64.223 62.100 -0.196 0.000 1.159 165 T CB -0.331 68.454 68.868 -0.138 0.000 0.859 165 T HN 0.454 nan 8.240 nan 0.000 0.449 166 K N 0.147 120.418 120.400 -0.214 0.000 2.147 166 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 166 K C 2.228 178.633 176.600 -0.325 0.000 1.049 166 K CA 1.081 57.241 56.287 -0.212 0.000 0.936 166 K CB -0.279 32.103 32.500 -0.197 0.000 0.722 166 K HN 0.435 nan 8.250 nan 0.000 0.446 167 I N 0.903 121.189 120.570 -0.474 0.000 2.333 167 I HA -0.236 3.934 4.170 -0.000 0.000 0.246 167 I C 2.226 178.127 176.117 -0.360 0.000 1.106 167 I CA 0.872 61.706 61.300 -0.777 0.000 1.411 167 I CB -0.254 37.200 38.000 -0.910 0.000 1.082 167 I HN 0.038 nan 8.210 nan 0.000 0.420 168 L N 0.514 121.611 121.223 -0.211 0.000 1.973 168 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 168 L C 2.543 179.459 176.870 0.076 0.000 1.073 168 L CA 1.627 56.458 54.840 -0.015 0.000 0.746 168 L CB -0.850 41.170 42.059 -0.065 0.000 0.891 168 L HN 0.276 nan 8.230 nan 0.000 0.433 169 E N -0.067 120.133 120.200 -0.001 0.000 2.549 169 E HA -0.344 4.006 4.350 -0.000 0.000 0.249 169 E C -0.658 175.970 176.600 0.046 0.000 1.084 169 E CA 2.819 59.227 56.400 0.013 0.000 1.243 169 E CB -1.152 28.533 29.700 -0.026 0.000 1.105 169 E HN 0.302 nan 8.360 nan 0.000 0.477 170 P HA -0.171 nan 4.420 nan 0.000 0.202 170 P C 1.269 178.590 177.300 0.036 0.000 1.149 170 P CA 1.778 64.912 63.100 0.056 0.000 0.931 170 P CB -0.454 31.312 31.700 0.111 0.000 0.762 171 F N 1.048 120.868 119.950 -0.216 0.000 2.063 171 F HA -0.352 4.175 4.527 -0.000 0.000 0.297 171 F C 2.348 178.091 175.800 -0.095 0.000 1.099 171 F CA 2.167 60.021 58.000 -0.243 0.000 1.220 171 F CB -0.519 38.269 39.000 -0.353 0.000 0.972 171 F HN -0.216 nan 8.300 nan 0.000 0.487 172 K N 0.209 120.797 120.400 0.313 0.000 2.127 172 K HA -0.293 4.027 4.320 -0.000 0.000 0.208 172 K C 2.255 178.868 176.600 0.021 0.000 1.047 172 K CA 2.002 58.402 56.287 0.189 0.000 0.927 172 K CB -0.250 32.330 32.500 0.134 0.000 0.716 172 K HN 0.324 nan 8.250 nan 0.000 0.450 173 K N 0.056 120.450 120.400 -0.010 0.000 2.186 173 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 173 K C 1.858 178.403 176.600 -0.091 0.000 1.052 173 K CA 0.566 56.830 56.287 -0.038 0.000 0.965 173 K CB 0.183 32.671 32.500 -0.020 0.000 0.746 173 K HN 0.125 nan 8.250 nan 0.000 0.457 174 Q N 1.281 120.987 119.800 -0.156 0.000 2.491 174 Q HA -0.066 4.274 4.340 -0.000 0.000 0.214 174 Q C -0.900 174.935 176.000 -0.275 0.000 0.970 174 Q CA 0.767 56.443 55.803 -0.212 0.000 0.960 174 Q CB 0.063 28.638 28.738 -0.272 0.000 0.996 174 Q HN 0.229 nan 8.270 nan 0.000 0.524 175 N N 0.750 119.312 118.700 -0.230 0.000 2.946 175 N HA 0.114 4.853 4.740 -0.000 0.000 0.213 175 N C -2.591 172.869 175.510 -0.084 0.000 1.440 175 N CA -0.664 52.268 53.050 -0.196 0.000 0.745 175 N CB 1.646 39.933 38.487 -0.333 0.000 1.471 175 N HN 0.067 nan 8.380 nan 0.000 0.569 176 P HA -0.001 nan 4.420 nan 0.000 0.242 176 P C 0.110 177.408 177.300 -0.003 0.000 1.197 176 P CA 0.711 63.800 63.100 -0.018 0.000 0.765 176 P CB 0.378 32.068 31.700 -0.017 0.000 0.936 177 D N -0.079 120.317 120.400 -0.007 0.000 2.333 177 D HA 0.041 4.681 4.640 -0.000 0.000 0.208 177 D C 1.064 177.394 176.300 0.050 0.000 0.984 177 D CA 0.416 54.427 54.000 0.017 0.000 0.873 177 D CB 0.144 40.952 40.800 0.013 0.000 0.935 177 D HN 0.307 nan 8.370 nan 0.000 0.521 178 I N 0.954 121.556 120.570 0.054 0.000 2.441 178 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 178 I C -0.433 175.740 176.117 0.093 0.000 0.994 178 I CA -1.057 60.307 61.300 0.106 0.000 1.144 178 I CB 2.580 40.677 38.000 0.162 0.000 1.314 178 I HN -0.358 nan 8.210 nan 0.000 0.445 179 V N 6.449 126.418 119.914 0.093 0.000 2.769 179 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 179 V C -0.188 175.960 176.094 0.090 0.000 1.061 179 V CA -0.580 61.764 62.300 0.073 0.000 0.931 179 V CB 2.460 34.308 31.823 0.040 0.000 1.010 179 V HN 0.493 nan 8.190 nan 0.000 0.433 180 I N 2.995 123.619 120.570 0.090 0.000 2.730 180 I HA 0.469 4.639 4.170 -0.000 0.000 0.298 180 I C -1.713 174.487 176.117 0.139 0.000 1.089 180 I CA -0.848 60.509 61.300 0.095 0.000 1.041 180 I CB 2.398 40.433 38.000 0.058 0.000 1.235 180 I HN 0.667 nan 8.210 nan 0.000 0.423 181 Y N 4.781 125.084 120.300 0.004 0.000 2.326 181 Y HA 0.436 4.986 4.550 -0.000 0.000 0.329 181 Y C -0.876 175.061 175.900 0.063 0.000 0.973 181 Y CA -0.744 57.361 58.100 0.009 0.000 1.162 181 Y CB 1.312 39.744 38.460 -0.047 0.000 1.147 181 Y HN 0.505 nan 8.280 nan 0.000 0.456 182 Q N 4.817 124.345 119.800 -0.452 0.000 2.261 182 Q HA 0.290 4.630 4.340 -0.000 0.000 0.252 182 Q C -1.780 173.864 176.000 -0.593 0.000 0.915 182 Q CA -0.448 55.108 55.803 -0.412 0.000 0.915 182 Q CB 1.658 30.252 28.738 -0.241 0.000 1.204 182 Q HN 0.655 nan 8.270 nan 0.000 0.421 183 Y N 4.521 124.560 120.300 -0.435 0.000 2.400 183 Y HA 0.206 4.756 4.550 -0.000 0.000 0.335 183 Y C 0.050 175.962 175.900 0.020 0.000 1.066 183 Y CA -0.586 57.410 58.100 -0.175 0.000 1.285 183 Y CB 0.054 38.575 38.460 0.102 0.000 1.103 183 Y HN 0.887 nan 8.280 nan 0.000 0.490 184 M N 1.010 120.465 119.600 -0.241 0.000 7.319 184 M HA -0.438 4.041 4.480 -0.000 0.000 0.288 184 M C 0.273 176.622 176.300 0.081 0.000 0.480 184 M CA 2.463 57.680 55.300 -0.138 0.000 1.311 184 M CB -0.977 31.384 32.600 -0.399 0.000 0.421 184 M HN 0.451 nan 8.290 nan 0.000 0.490 185 D N 0.641 121.018 120.400 -0.039 0.000 2.346 185 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 185 D C 0.155 176.447 176.300 -0.012 0.000 1.001 185 D CA 0.484 54.477 54.000 -0.012 0.000 0.871 185 D CB -0.022 40.712 40.800 -0.111 0.000 0.943 185 D HN 0.354 nan 8.370 nan 0.000 0.518 186 D N 0.346 120.705 120.400 -0.069 0.000 2.358 186 D HA 0.281 4.921 4.640 -0.000 0.000 0.244 186 D C -0.201 175.947 176.300 -0.254 0.000 1.163 186 D CA -0.148 53.730 54.000 -0.204 0.000 0.945 186 D CB 1.804 42.434 40.800 -0.284 0.000 1.152 186 D HN -0.136 nan 8.370 nan 0.000 0.451 187 L N 2.048 123.018 121.223 -0.421 0.000 2.666 187 L HA 0.186 4.525 4.340 -0.000 0.000 0.258 187 L C -1.754 174.921 176.870 -0.324 0.000 0.991 187 L CA -0.363 54.304 54.840 -0.287 0.000 0.916 187 L CB 0.610 42.566 42.059 -0.172 0.000 1.199 187 L HN 0.261 nan 8.230 nan 0.000 0.439 188 Y N 3.382 123.632 120.300 -0.083 0.000 2.383 188 Y HA 0.584 5.134 4.550 -0.000 0.000 0.344 188 Y C 0.304 176.175 175.900 -0.049 0.000 0.986 188 Y CA -0.710 57.328 58.100 -0.104 0.000 1.175 188 Y CB 1.286 39.644 38.460 -0.170 0.000 1.152 188 Y HN 0.194 nan 8.280 nan 0.000 0.511 189 V N 3.403 123.381 119.914 0.107 0.000 2.435 189 V HA 0.818 4.938 4.120 -0.000 0.000 0.290 189 V C 0.330 176.544 176.094 0.200 0.000 1.030 189 V CA -0.617 61.750 62.300 0.113 0.000 0.881 189 V CB 1.448 33.295 31.823 0.040 0.000 0.983 189 V HN 0.925 nan 8.190 nan 0.000 0.445 190 G N 2.541 111.448 108.800 0.177 0.000 2.574 190 G HA2 0.848 4.808 3.960 -0.000 0.000 0.299 190 G HA3 0.848 4.808 3.960 -0.000 0.000 0.299 190 G C -0.822 174.165 174.900 0.145 0.000 1.298 190 G CA -0.069 45.116 45.100 0.141 0.000 0.952 190 G HN 1.061 nan 8.290 nan 0.000 0.477 191 S N -0.933 114.794 115.700 0.046 0.000 2.655 191 S HA 0.554 5.024 4.470 -0.000 0.000 0.266 191 S C -1.471 173.132 174.600 0.005 0.000 1.149 191 S CA -0.732 57.516 58.200 0.080 0.000 0.818 191 S CB 2.086 65.436 63.200 0.251 0.000 1.130 191 S HN 0.294 nan 8.310 nan 0.000 0.476 192 D N 0.503 120.924 120.400 0.036 0.000 2.623 192 D HA 0.407 5.047 4.640 -0.000 0.000 0.252 192 D C -0.434 175.889 176.300 0.038 0.000 1.294 192 D CA -0.064 53.949 54.000 0.021 0.000 0.824 192 D CB 0.173 40.983 40.800 0.018 0.000 1.070 192 D HN 0.446 nan 8.370 nan 0.000 0.487 193 L N 0.762 122.027 121.223 0.070 0.000 2.375 193 L HA 0.226 4.566 4.340 -0.000 0.000 0.271 193 L C 1.085 178.007 176.870 0.086 0.000 1.107 193 L CA -0.658 54.231 54.840 0.082 0.000 0.806 193 L CB 1.095 43.224 42.059 0.116 0.000 1.146 193 L HN -0.083 nan 8.230 nan 0.000 0.447 194 E N 2.652 122.894 120.200 0.070 0.000 2.652 194 E HA -0.148 4.202 4.350 -0.000 0.000 0.255 194 E C 1.181 177.842 176.600 0.101 0.000 0.952 194 E CA 0.124 56.565 56.400 0.067 0.000 0.947 194 E CB 0.677 30.409 29.700 0.054 0.000 0.912 194 E HN 0.650 nan 8.360 nan 0.000 0.489 195 I N 4.625 125.252 120.570 0.095 0.000 2.442 195 I HA -0.330 3.840 4.170 -0.000 0.000 0.261 195 I C 1.540 177.757 176.117 0.166 0.000 1.132 195 I CA 2.178 63.562 61.300 0.139 0.000 1.412 195 I CB -0.116 37.946 38.000 0.103 0.000 1.091 195 I HN 0.624 nan 8.210 nan 0.000 0.448 196 G N -0.246 108.624 108.800 0.117 0.000 2.402 196 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 196 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 196 G C 1.435 176.403 174.900 0.113 0.000 1.162 196 G CA 0.691 45.852 45.100 0.101 0.000 0.777 196 G HN 0.550 nan 8.290 nan 0.000 0.539 197 Q N -0.526 119.344 119.800 0.117 0.000 1.994 197 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 197 Q C 2.263 178.348 176.000 0.142 0.000 0.976 197 Q CA 1.252 57.121 55.803 0.109 0.000 0.828 197 Q CB -0.429 28.364 28.738 0.092 0.000 0.894 197 Q HN 0.679 nan 8.270 nan 0.000 0.432 198 H N 1.144 120.270 119.070 0.093 0.000 2.437 198 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 198 H C 1.821 177.248 175.328 0.164 0.000 1.121 198 H CA 1.793 57.907 56.048 0.111 0.000 1.255 198 H CB 0.189 30.014 29.762 0.105 0.000 1.366 198 H HN 0.044 nan 8.280 nan 0.000 0.512 199 R N -1.253 119.358 120.500 0.186 0.000 2.200 199 R HA 0.003 4.343 4.340 -0.000 0.000 0.208 199 R C 1.791 178.195 176.300 0.173 0.000 1.033 199 R CA 1.268 57.523 56.100 0.258 0.000 1.000 199 R CB 0.251 30.680 30.300 0.215 0.000 0.906 199 R HN 0.339 nan 8.270 nan 0.000 0.462 200 T N 0.456 115.077 114.554 0.111 0.000 3.014 200 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 200 T C 1.580 176.335 174.700 0.090 0.000 1.078 200 T CA 0.859 63.015 62.100 0.093 0.000 1.135 200 T CB 0.121 69.034 68.868 0.076 0.000 0.895 200 T HN -0.056 nan 8.240 nan 0.000 0.480 201 K N 1.255 121.693 120.400 0.064 0.000 2.167 201 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 201 K C 1.905 178.566 176.600 0.102 0.000 1.052 201 K CA 0.446 56.787 56.287 0.090 0.000 0.956 201 K CB -0.435 32.102 32.500 0.063 0.000 0.735 201 K HN 0.195 nan 8.250 nan 0.000 0.451 202 I N 1.391 121.927 120.570 -0.057 0.000 2.315 202 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 202 I C 2.206 178.346 176.117 0.038 0.000 1.117 202 I CA 1.192 62.402 61.300 -0.150 0.000 1.404 202 I CB -1.009 36.620 38.000 -0.618 0.000 1.071 202 I HN 0.430 nan 8.210 nan 0.000 0.419 203 E N 1.771 122.060 120.200 0.147 0.000 2.049 203 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 203 E C 1.892 178.566 176.600 0.124 0.000 1.007 203 E CA 1.793 58.280 56.400 0.145 0.000 0.809 203 E CB -0.027 29.748 29.700 0.126 0.000 0.749 203 E HN 0.540 nan 8.360 nan 0.000 0.450 204 E N 0.405 120.702 120.200 0.163 0.000 2.013 204 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 204 E C 2.292 179.022 176.600 0.217 0.000 1.018 204 E CA 1.390 57.937 56.400 0.246 0.000 0.834 204 E CB -0.403 29.514 29.700 0.360 0.000 0.770 204 E HN 0.222 nan 8.360 nan 0.000 0.459 205 L N 1.674 122.953 121.223 0.094 0.000 1.997 205 L HA -0.345 3.995 4.340 -0.000 0.000 0.227 205 L C 2.370 179.111 176.870 -0.215 0.000 1.087 205 L CA 2.390 56.881 54.840 -0.583 0.000 0.797 205 L CB -0.660 41.080 42.059 -0.532 0.000 0.902 205 L HN 0.027 nan 8.230 nan 0.000 0.441 206 R N -1.326 119.119 120.500 -0.091 0.000 2.134 206 R HA -0.243 4.097 4.340 -0.000 0.000 0.248 206 R C 2.387 178.704 176.300 0.029 0.000 1.143 206 R CA 2.149 58.236 56.100 -0.022 0.000 0.957 206 R CB -0.296 30.023 30.300 0.031 0.000 0.867 206 R HN 0.576 nan 8.270 nan 0.000 0.441 207 Q N -0.847 118.999 119.800 0.076 0.000 2.079 207 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 207 Q C 1.966 178.058 176.000 0.153 0.000 0.974 207 Q CA 1.828 57.694 55.803 0.105 0.000 0.840 207 Q CB -0.529 28.280 28.738 0.119 0.000 0.898 207 Q HN 0.542 nan 8.270 nan 0.000 0.430 208 H N 1.010 120.130 119.070 0.082 0.000 2.265 208 H HA -0.105 4.451 4.556 -0.000 0.000 0.295 208 H C 2.060 177.530 175.328 0.237 0.000 1.084 208 H CA 1.954 58.099 56.048 0.162 0.000 1.261 208 H CB -0.523 29.297 29.762 0.097 0.000 1.360 208 H HN 0.107 nan 8.280 nan 0.000 0.487 209 L N -0.592 120.589 121.223 -0.071 0.000 1.963 209 L HA -0.235 4.105 4.340 -0.000 0.000 0.220 209 L C 2.686 179.594 176.870 0.063 0.000 1.076 209 L CA 1.591 56.371 54.840 -0.100 0.000 0.772 209 L CB -0.848 41.155 42.059 -0.093 0.000 0.892 209 L HN 0.339 nan 8.230 nan 0.000 0.435 210 L N 0.246 121.501 121.223 0.053 0.000 2.103 210 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 210 L C 2.646 179.541 176.870 0.042 0.000 1.080 210 L CA 1.854 56.727 54.840 0.055 0.000 0.764 210 L CB -0.596 41.492 42.059 0.048 0.000 0.890 210 L HN 0.167 nan 8.230 nan 0.000 0.435 211 R N -2.211 118.304 120.500 0.025 0.000 2.280 211 R HA -0.134 4.206 4.340 -0.000 0.000 0.207 211 R C 0.627 176.776 176.300 -0.251 0.000 1.043 211 R CA 1.105 57.141 56.100 -0.106 0.000 1.006 211 R CB -0.340 29.885 30.300 -0.126 0.000 0.885 211 R HN 0.432 nan 8.270 nan 0.000 0.467 212 W N 0.548 121.802 121.300 -0.078 0.000 2.987 212 W HA 0.285 4.945 4.660 -0.000 0.000 0.441 212 W C 1.104 177.604 176.519 -0.032 0.000 0.853 212 W CA 0.245 57.547 57.345 -0.071 0.000 2.222 212 W CB 0.292 29.665 29.460 -0.145 0.000 1.139 212 W HN 0.223 nan 8.180 nan 0.000 0.819 213 G N 0.479 109.346 108.800 0.112 0.000 2.284 213 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.268 213 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.268 213 G C 0.361 175.334 174.900 0.123 0.000 0.980 213 G CA 0.314 45.478 45.100 0.106 0.000 0.631 213 G HN 0.259 nan 8.290 nan 0.000 0.548 214 L N 2.210 123.519 121.223 0.143 0.000 2.325 214 L HA 0.342 4.682 4.340 -0.000 0.000 0.284 214 L C 0.749 177.667 176.870 0.079 0.000 1.089 214 L CA -0.226 54.683 54.840 0.116 0.000 0.836 214 L CB 0.764 42.881 42.059 0.097 0.000 1.184 214 L HN 0.089 nan 8.230 nan 0.000 0.444 215 T N 1.016 115.615 114.554 0.074 0.000 2.881 215 T HA 0.527 4.877 4.350 -0.000 0.000 0.278 215 T C 0.295 175.023 174.700 0.046 0.000 0.982 215 T CA -0.469 61.665 62.100 0.056 0.000 0.989 215 T CB 1.544 70.446 68.868 0.057 0.000 1.058 215 T HN 0.693 nan 8.240 nan 0.000 0.529 216 T N -1.100 113.478 114.554 0.040 0.000 3.337 216 T HA 0.336 4.686 4.350 -0.000 0.000 0.321 216 T C -2.737 171.987 174.700 0.041 0.000 0.852 216 T CA -1.256 60.865 62.100 0.035 0.000 1.242 216 T CB 1.147 70.031 68.868 0.028 0.000 0.979 216 T HN 0.166 nan 8.240 nan 0.000 0.508 217 P HA -0.007 nan 4.420 nan 0.000 0.226 217 P C -0.000 177.327 177.300 0.045 0.000 1.146 217 P CA 0.758 63.881 63.100 0.039 0.000 0.773 217 P CB -0.131 31.590 31.700 0.035 0.000 0.772 218 D N -0.245 120.186 120.400 0.051 0.000 2.416 218 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 218 D C 1.020 177.373 176.300 0.088 0.000 1.250 218 D CA 0.276 54.318 54.000 0.069 0.000 0.967 218 D CB 0.371 41.213 40.800 0.071 0.000 1.059 218 D HN -0.084 nan 8.370 nan 0.000 0.512 219 K N 1.263 121.709 120.400 0.077 0.000 2.028 219 K HA -0.006 4.314 4.320 -0.000 0.000 0.211 219 K C 1.495 178.160 176.600 0.108 0.000 1.034 219 K CA 0.318 56.652 56.287 0.078 0.000 0.999 219 K CB -0.223 32.302 32.500 0.041 0.000 1.060 219 K HN 0.095 nan 8.250 nan 0.000 0.451 220 K N 1.004 121.406 120.400 0.003 0.000 2.587 220 K HA -0.225 4.095 4.320 -0.000 0.000 0.196 220 K C -0.899 175.538 176.600 -0.273 0.000 1.046 220 K CA 1.384 57.562 56.287 -0.182 0.000 0.930 220 K CB -0.793 31.640 32.500 -0.111 0.000 0.771 220 K HN 0.538 nan 8.250 nan 0.000 0.492 221 H N -1.877 117.235 119.070 0.069 0.000 3.031 221 H HA -0.119 4.437 4.556 -0.000 0.000 0.293 221 H C 0.598 175.993 175.328 0.113 0.000 1.305 221 H CA 0.011 56.119 56.048 0.099 0.000 1.162 221 H CB -1.256 28.584 29.762 0.130 0.000 1.341 221 H HN 0.312 nan 8.280 nan 0.000 0.413 222 Q N 1.620 121.523 119.800 0.172 0.000 1.693 222 Q HA -0.196 4.144 4.340 -0.000 0.000 0.452 222 Q C 0.662 176.745 176.000 0.138 0.000 1.036 222 Q CA 1.586 57.461 55.803 0.119 0.000 0.860 222 Q CB -0.388 28.407 28.738 0.095 0.000 0.958 222 Q HN 0.620 nan 8.270 nan 0.000 0.399 223 K N 2.611 123.101 120.400 0.150 0.000 2.510 223 K HA -0.100 4.220 4.320 -0.000 0.000 0.272 223 K C 0.081 176.761 176.600 0.133 0.000 1.025 223 K CA 0.728 57.108 56.287 0.155 0.000 1.134 223 K CB -0.118 32.522 32.500 0.233 0.000 0.827 223 K HN 0.285 nan 8.250 nan 0.000 0.485 224 E N 2.980 123.156 120.200 -0.040 0.000 2.264 224 E HA 0.357 4.707 4.350 -0.000 0.000 0.260 224 E C -2.287 173.941 176.600 -0.620 0.000 0.961 224 E CA -2.137 54.141 56.400 -0.203 0.000 0.834 224 E CB 1.115 30.753 29.700 -0.103 0.000 1.230 224 E HN 0.416 nan 8.360 nan 0.000 0.412 225 P HA 0.233 nan 4.420 nan 0.000 0.276 225 P C -2.580 174.472 177.300 -0.413 0.000 1.252 225 P CA -1.422 61.194 63.100 -0.807 0.000 0.802 225 P CB -0.175 31.287 31.700 -0.397 0.000 1.035 226 P HA 0.244 nan 4.420 nan 0.000 0.276 226 P C -0.660 176.534 177.300 -0.177 0.000 1.235 226 P CA 0.106 62.985 63.100 -0.369 0.000 0.772 226 P CB -0.006 31.271 31.700 -0.705 0.000 0.871 227 F N 2.289 122.318 119.950 0.131 0.000 2.495 227 F HA 0.157 4.684 4.527 -0.000 0.000 0.365 227 F C 0.861 176.824 175.800 0.273 0.000 1.090 227 F CA -0.014 58.109 58.000 0.204 0.000 1.235 227 F CB 0.148 39.253 39.000 0.175 0.000 1.119 227 F HN 0.020 nan 8.300 nan 0.000 0.562 228 L N 3.401 124.905 121.223 0.468 0.000 2.276 228 L HA 0.299 4.639 4.340 -0.000 0.000 0.286 228 L C -1.048 176.158 176.870 0.560 0.000 1.061 228 L CA -0.462 54.633 54.840 0.425 0.000 0.807 228 L CB 1.012 43.245 42.059 0.290 0.000 1.177 228 L HN 0.754 nan 8.230 nan 0.000 0.429 229 W N 6.328 127.819 121.300 0.319 0.000 3.615 229 W HA 0.316 4.976 4.660 -0.000 0.000 0.319 229 W C -0.203 176.508 176.519 0.320 0.000 1.172 229 W CA -0.719 56.801 57.345 0.292 0.000 1.240 229 W CB 1.098 30.669 29.460 0.184 0.000 1.313 229 W HN 0.398 nan 8.180 nan 0.000 0.487 230 M N 4.811 124.177 119.600 -0.391 0.000 2.322 230 M HA -0.195 4.285 4.480 -0.000 0.000 0.197 230 M C 1.041 177.294 176.300 -0.079 0.000 0.385 230 M CA 2.016 57.062 55.300 -0.424 0.000 0.418 230 M CB -2.475 29.530 32.600 -0.993 0.000 1.388 230 M HN 1.556 nan 8.290 nan 0.000 0.887 231 G N -0.919 107.892 108.800 0.019 0.000 2.171 231 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.238 231 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.238 231 G C -0.537 174.469 174.900 0.177 0.000 1.039 231 G CA 0.131 45.230 45.100 -0.001 0.000 0.759 231 G HN 0.595 nan 8.290 nan 0.000 0.501 232 Y N -0.699 119.844 120.300 0.406 0.000 2.462 232 Y HA 0.599 5.149 4.550 -0.000 0.000 0.346 232 Y C 0.326 176.501 175.900 0.460 0.000 0.976 232 Y CA -1.036 57.358 58.100 0.490 0.000 1.044 232 Y CB 1.799 40.564 38.460 0.510 0.000 1.230 232 Y HN 0.150 nan 8.280 nan 0.000 0.455 233 E N 3.493 124.072 120.200 0.632 0.000 2.046 233 E HA 0.389 4.739 4.350 -0.000 0.000 0.279 233 E C -1.582 175.443 176.600 0.707 0.000 0.989 233 E CA -0.397 56.333 56.400 0.550 0.000 0.798 233 E CB 0.507 30.512 29.700 0.510 0.000 1.086 233 E HN 0.572 nan 8.360 nan 0.000 0.399 234 L N 5.880 127.477 121.223 0.625 0.000 2.283 234 L HA 0.317 4.657 4.340 -0.000 0.000 0.281 234 L C 0.052 177.282 176.870 0.601 0.000 1.033 234 L CA -0.399 54.835 54.840 0.658 0.000 0.848 234 L CB 0.658 43.012 42.059 0.491 0.000 1.226 234 L HN 0.509 nan 8.230 nan 0.000 0.429 235 H N 2.951 122.225 119.070 0.341 0.000 2.508 235 H HA 0.205 4.761 4.556 -0.000 0.000 0.344 235 H C -1.647 173.821 175.328 0.234 0.000 1.192 235 H CA -2.139 54.033 56.048 0.206 0.000 1.290 235 H CB 1.089 30.895 29.762 0.073 0.000 1.571 235 H HN 0.299 nan 8.280 nan 0.000 0.555 236 P HA -0.241 nan 4.420 nan 0.000 0.219 236 P C 0.748 178.185 177.300 0.228 0.000 1.158 236 P CA 2.032 65.285 63.100 0.255 0.000 0.895 236 P CB 0.174 31.970 31.700 0.160 0.000 0.792 237 D N -2.808 117.635 120.400 0.070 0.000 2.582 237 D HA 0.078 4.718 4.640 -0.000 0.000 0.246 237 D C 0.161 176.219 176.300 -0.403 0.000 1.334 237 D CA -0.096 53.846 54.000 -0.097 0.000 0.805 237 D CB 0.365 41.143 40.800 -0.036 0.000 1.087 237 D HN 0.286 nan 8.370 nan 0.000 0.499 238 K N -0.621 119.545 120.400 -0.389 0.000 2.522 238 K HA 0.649 4.968 4.320 -0.000 0.000 0.275 238 K C -1.181 175.361 176.600 -0.096 0.000 1.006 238 K CA -1.086 54.947 56.287 -0.423 0.000 0.890 238 K CB 1.996 34.225 32.500 -0.452 0.000 1.475 238 K HN 0.096 nan 8.250 nan 0.000 0.441 239 W N -0.322 120.971 121.300 -0.012 0.000 3.074 239 W HA 0.722 5.382 4.660 -0.000 0.000 0.332 239 W C -1.820 174.879 176.519 0.300 0.000 1.253 239 W CA -0.796 56.717 57.345 0.279 0.000 1.180 239 W CB 1.211 30.921 29.460 0.417 0.000 1.445 239 W HN 0.875 nan 8.180 nan 0.000 0.573 240 T N -0.246 114.566 114.554 0.429 0.000 2.663 240 T HA 0.354 4.704 4.350 -0.000 0.000 0.305 240 T C -1.831 173.167 174.700 0.496 0.000 1.660 240 T CA -0.372 61.770 62.100 0.070 0.000 0.976 240 T CB 1.350 70.048 68.868 -0.283 0.000 1.705 240 T HN 0.458 nan 8.240 nan 0.000 0.494 241 V N 2.660 122.755 119.914 0.302 0.000 2.583 241 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 241 V C 0.652 176.916 176.094 0.284 0.000 1.051 241 V CA -0.187 62.293 62.300 0.300 0.000 1.010 241 V CB 1.339 33.304 31.823 0.237 0.000 0.988 241 V HN 0.830 nan 8.190 nan 0.000 0.478 242 Q N 5.491 125.460 119.800 0.281 0.000 2.239 242 Q HA 0.101 4.441 4.340 -0.000 0.000 0.286 242 Q C -2.171 173.912 176.000 0.139 0.000 1.102 242 Q CA -1.203 54.721 55.803 0.201 0.000 0.936 242 Q CB 0.217 29.042 28.738 0.146 0.000 1.127 242 Q HN 0.507 nan 8.270 nan 0.000 0.380 243 P HA -0.205 nan 4.420 nan 0.000 0.267 243 P C -0.739 176.576 177.300 0.026 0.000 1.145 243 P CA 0.953 64.091 63.100 0.063 0.000 0.753 243 P CB 0.201 31.941 31.700 0.066 0.000 0.748 244 I N -0.591 119.971 120.570 -0.014 0.000 2.863 244 I HA 0.707 4.877 4.170 -0.000 0.000 0.311 244 I C -0.932 175.167 176.117 -0.030 0.000 1.026 244 I CA -1.219 60.064 61.300 -0.029 0.000 1.077 244 I CB 2.346 40.319 38.000 -0.045 0.000 1.262 244 I HN -0.091 nan 8.210 nan 0.000 0.461 245 V N 5.205 125.107 119.914 -0.019 0.000 2.447 245 V HA 0.337 4.457 4.120 -0.000 0.000 0.292 245 V C -0.164 175.940 176.094 0.017 0.000 1.021 245 V CA -0.392 61.906 62.300 -0.003 0.000 0.850 245 V CB 1.582 33.405 31.823 -0.000 0.000 1.005 245 V HN 0.534 nan 8.190 nan 0.000 0.426 246 L N 8.251 129.490 121.223 0.027 0.000 2.328 246 L HA 0.381 4.721 4.340 -0.000 0.000 0.280 246 L C -1.708 175.233 176.870 0.118 0.000 1.111 246 L CA -1.417 53.465 54.840 0.071 0.000 0.909 246 L CB 0.964 43.046 42.059 0.038 0.000 1.277 246 L HN 0.433 nan 8.230 nan 0.000 0.433 247 P HA 0.030 nan 4.420 nan 0.000 0.269 247 P C -0.774 176.652 177.300 0.211 0.000 1.217 247 P CA -0.111 63.054 63.100 0.107 0.000 0.783 247 P CB 0.994 32.708 31.700 0.024 0.000 0.898 248 E N 1.633 121.896 120.200 0.105 0.000 2.145 248 E HA 0.362 4.712 4.350 -0.000 0.000 0.270 248 E C -0.213 176.376 176.600 -0.018 0.000 0.906 248 E CA -0.707 55.792 56.400 0.165 0.000 0.761 248 E CB 1.771 31.535 29.700 0.106 0.000 1.116 248 E HN 0.350 nan 8.360 nan 0.000 0.408 249 K N 1.741 122.079 120.400 -0.104 0.000 2.400 249 K HA 0.256 4.576 4.320 -0.000 0.000 0.246 249 K C -0.182 176.288 176.600 -0.217 0.000 0.995 249 K CA -0.854 55.176 56.287 -0.428 0.000 0.840 249 K CB 1.702 33.516 32.500 -1.144 0.000 1.293 249 K HN 0.269 nan 8.250 nan 0.000 0.445 250 D N 0.533 120.804 120.400 -0.215 0.000 2.154 250 D HA -0.082 4.558 4.640 -0.000 0.000 0.211 250 D C 0.686 176.948 176.300 -0.063 0.000 0.977 250 D CA 1.286 55.240 54.000 -0.077 0.000 0.869 250 D CB 0.060 40.818 40.800 -0.070 0.000 1.022 250 D HN 0.460 nan 8.370 nan 0.000 0.461 251 S N -0.712 114.891 115.700 -0.162 0.000 2.475 251 S HA 0.476 4.946 4.470 -0.000 0.000 0.298 251 S C -1.252 173.213 174.600 -0.225 0.000 1.119 251 S CA -0.828 57.328 58.200 -0.074 0.000 1.085 251 S CB 0.998 64.174 63.200 -0.039 0.000 1.028 251 S HN 0.108 nan 8.310 nan 0.000 0.489 252 W N 1.716 123.011 121.300 -0.010 0.000 2.475 252 W HA 0.556 5.216 4.660 -0.000 0.000 0.317 252 W C 0.632 177.145 176.519 -0.010 0.000 1.046 252 W CA -0.453 56.885 57.345 -0.011 0.000 1.215 252 W CB 1.921 31.374 29.460 -0.011 0.000 1.335 252 W HN 0.724 nan 8.180 nan 0.000 0.471 253 T N 1.186 115.841 114.554 0.167 0.000 2.952 253 T HA 0.274 4.624 4.350 -0.000 0.000 0.286 253 T C 1.024 175.798 174.700 0.124 0.000 1.024 253 T CA -0.612 61.551 62.100 0.105 0.000 1.029 253 T CB 1.286 70.175 68.868 0.035 0.000 1.094 253 T HN 0.199 nan 8.240 nan 0.000 0.515 254 V N 3.184 123.146 119.914 0.080 0.000 2.252 254 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 254 V C 2.741 178.874 176.094 0.064 0.000 1.056 254 V CA 2.310 64.650 62.300 0.066 0.000 1.022 254 V CB -0.820 31.027 31.823 0.040 0.000 0.641 254 V HN 0.912 nan 8.190 nan 0.000 0.445 255 N N -0.079 118.650 118.700 0.048 0.000 2.348 255 N HA -0.206 4.534 4.740 -0.000 0.000 0.185 255 N C 1.388 176.935 175.510 0.062 0.000 1.019 255 N CA 1.658 54.731 53.050 0.039 0.000 0.880 255 N CB -0.130 38.368 38.487 0.019 0.000 0.965 255 N HN 0.514 nan 8.380 nan 0.000 0.437 256 D N 0.552 121.013 120.400 0.101 0.000 2.110 256 D HA 0.054 4.694 4.640 -0.000 0.000 0.202 256 D C 2.084 178.543 176.300 0.266 0.000 0.975 256 D CA 0.482 54.587 54.000 0.175 0.000 0.839 256 D CB -0.164 40.753 40.800 0.196 0.000 0.996 256 D HN 0.306 nan 8.370 nan 0.000 0.464 257 I N 1.076 121.789 120.570 0.239 0.000 2.361 257 I HA -0.258 3.911 4.170 -0.000 0.000 0.251 257 I C 2.277 178.431 176.117 0.061 0.000 1.133 257 I CA 0.938 62.311 61.300 0.122 0.000 1.413 257 I CB -0.185 37.845 38.000 0.049 0.000 1.073 257 I HN 0.045 nan 8.210 nan 0.000 0.424 258 Q N 0.936 120.773 119.800 0.062 0.000 2.016 258 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 258 Q C 2.136 178.156 176.000 0.033 0.000 0.978 258 Q CA 1.290 57.114 55.803 0.035 0.000 0.833 258 Q CB -0.190 28.565 28.738 0.028 0.000 0.895 258 Q HN 0.482 nan 8.270 nan 0.000 0.427 259 K N 0.465 120.891 120.400 0.043 0.000 2.209 259 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 259 K C 2.043 178.665 176.600 0.037 0.000 1.048 259 K CA 0.642 56.944 56.287 0.026 0.000 0.940 259 K CB -0.095 32.419 32.500 0.023 0.000 0.729 259 K HN 0.069 nan 8.250 nan 0.000 0.451 260 L N 0.716 121.979 121.223 0.067 0.000 1.988 260 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 260 L C 2.051 178.927 176.870 0.010 0.000 1.071 260 L CA 1.433 56.304 54.840 0.051 0.000 0.744 260 L CB -0.401 41.682 42.059 0.039 0.000 0.893 260 L HN -0.146 nan 8.230 nan 0.000 0.433 261 V N 0.417 120.330 119.914 -0.001 0.000 2.332 261 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 261 V C 2.608 178.718 176.094 0.027 0.000 1.055 261 V CA 1.874 64.172 62.300 -0.002 0.000 1.038 261 V CB -1.685 30.135 31.823 -0.005 0.000 0.651 261 V HN 0.679 nan 8.190 nan 0.000 0.450 262 G N -0.501 108.317 108.800 0.031 0.000 2.459 262 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.217 262 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.217 262 G C 1.678 176.624 174.900 0.077 0.000 1.183 262 G CA 1.088 46.216 45.100 0.046 0.000 0.776 262 G HN 0.463 nan 8.290 nan 0.000 0.552 263 K N -0.297 120.127 120.400 0.040 0.000 2.026 263 K HA 0.076 4.396 4.320 -0.000 0.000 0.208 263 K C 2.573 179.230 176.600 0.096 0.000 1.048 263 K CA 0.827 57.145 56.287 0.053 0.000 0.929 263 K CB -0.288 32.217 32.500 0.009 0.000 0.713 263 K HN 0.251 nan 8.250 nan 0.000 0.439 264 L N 1.048 122.298 121.223 0.046 0.000 2.017 264 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 264 L C 2.073 178.975 176.870 0.053 0.000 1.073 264 L CA 1.018 55.871 54.840 0.022 0.000 0.745 264 L CB -0.530 41.522 42.059 -0.011 0.000 0.894 264 L HN 0.259 nan 8.230 nan 0.000 0.432 265 N N -0.329 118.418 118.700 0.078 0.000 2.043 265 N HA -0.280 4.460 4.740 -0.000 0.000 0.193 265 N C 1.523 177.105 175.510 0.119 0.000 1.037 265 N CA 1.551 54.653 53.050 0.088 0.000 0.851 265 N CB -0.575 37.972 38.487 0.101 0.000 1.027 265 N HN 0.497 nan 8.380 nan 0.000 0.422 266 W N 2.079 123.373 121.300 -0.011 0.000 2.321 266 W HA -0.186 4.474 4.660 -0.000 0.000 0.306 266 W C 1.806 178.327 176.519 0.002 0.000 1.217 266 W CA 2.096 59.432 57.345 -0.015 0.000 1.257 266 W CB -0.340 29.085 29.460 -0.060 0.000 1.145 266 W HN 0.062 nan 8.180 nan 0.000 0.509 267 A N -0.102 122.755 122.820 0.062 0.000 2.119 267 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 267 A C 2.007 179.604 177.584 0.021 0.000 1.153 267 A CA 1.631 53.642 52.037 -0.043 0.000 0.692 267 A CB -1.034 17.866 19.000 -0.167 0.000 0.799 267 A HN 0.285 nan 8.150 nan 0.000 0.458 268 S N -0.406 115.296 115.700 0.004 0.000 2.442 268 S HA -0.232 4.238 4.470 -0.000 0.000 0.236 268 S C 1.974 176.582 174.600 0.014 0.000 1.007 268 S CA 1.582 59.793 58.200 0.018 0.000 0.965 268 S CB -0.406 62.793 63.200 -0.002 0.000 0.773 268 S HN 0.719 nan 8.310 nan 0.000 0.504 269 Q N -0.617 119.187 119.800 0.007 0.000 2.152 269 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 269 Q C 1.608 177.739 176.000 0.218 0.000 0.985 269 Q CA 1.658 57.541 55.803 0.133 0.000 0.863 269 Q CB -0.076 28.765 28.738 0.171 0.000 0.904 269 Q HN 0.596 nan 8.270 nan 0.000 0.422 270 I N -2.258 118.395 120.570 0.139 0.000 4.655 270 I HA 0.073 4.243 4.170 -0.000 0.000 0.333 270 I C -0.911 175.116 176.117 -0.150 0.000 1.312 270 I CA -0.170 61.109 61.300 -0.035 0.000 1.270 270 I CB 0.877 38.686 38.000 -0.318 0.000 1.318 270 I HN -0.102 nan 8.210 nan 0.000 0.456 271 Y N 3.565 123.810 120.300 -0.092 0.000 2.477 271 Y HA 0.487 5.037 4.550 -0.000 0.000 0.349 271 Y C -1.926 173.934 175.900 -0.066 0.000 0.977 271 Y CA -2.857 55.194 58.100 -0.081 0.000 1.214 271 Y CB -0.257 38.163 38.460 -0.068 0.000 1.124 271 Y HN 0.065 nan 8.280 nan 0.000 0.521 272 P HA -0.132 nan 4.420 nan 0.000 0.274 272 P C 0.740 178.050 177.300 0.017 0.000 1.248 272 P CA 0.922 64.016 63.100 -0.011 0.000 0.827 272 P CB 0.531 32.212 31.700 -0.033 0.000 0.972 273 G N -0.108 108.693 108.800 0.001 0.000 2.425 273 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.298 273 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.298 273 G C 0.189 175.092 174.900 0.005 0.000 0.837 273 G CA 0.182 45.283 45.100 0.001 0.000 0.961 273 G HN 0.399 nan 8.290 nan 0.000 0.496 274 I N -0.134 120.443 120.570 0.012 0.000 2.416 274 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 274 I C 0.787 176.900 176.117 -0.006 0.000 1.051 274 I CA -0.084 61.220 61.300 0.006 0.000 1.375 274 I CB 0.790 38.799 38.000 0.014 0.000 1.407 274 I HN 0.127 nan 8.210 nan 0.000 0.516 275 K N 4.909 125.299 120.400 -0.018 0.000 2.139 275 K HA 0.604 4.924 4.320 -0.000 0.000 0.243 275 K C -0.022 176.559 176.600 -0.030 0.000 0.983 275 K CA -0.662 55.610 56.287 -0.025 0.000 0.890 275 K CB 2.137 34.615 32.500 -0.036 0.000 1.090 275 K HN 0.345 nan 8.250 nan 0.000 0.445 276 V N 0.105 120.000 119.914 -0.033 0.000 3.777 276 V HA 0.025 4.145 4.120 -0.000 0.000 0.285 276 V C 1.472 177.540 176.094 -0.043 0.000 1.668 276 V CA -0.304 61.973 62.300 -0.039 0.000 1.178 276 V CB 0.191 32.000 31.823 -0.024 0.000 0.962 276 V HN 0.733 nan 8.190 nan 0.000 0.411 277 R N 1.189 121.664 120.500 -0.042 0.000 2.122 277 R HA -0.226 4.114 4.340 -0.000 0.000 0.236 277 R C 2.161 178.433 176.300 -0.048 0.000 1.129 277 R CA 2.421 58.496 56.100 -0.042 0.000 0.925 277 R CB -0.038 30.237 30.300 -0.041 0.000 0.850 277 R HN 0.482 nan 8.270 nan 0.000 0.431 278 Q N 0.523 120.289 119.800 -0.056 0.000 2.061 278 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 278 Q C 2.354 178.308 176.000 -0.077 0.000 0.984 278 Q CA 1.436 57.201 55.803 -0.064 0.000 0.846 278 Q CB -0.428 28.268 28.738 -0.070 0.000 0.902 278 Q HN 0.462 nan 8.270 nan 0.000 0.421 279 L N 0.381 121.550 121.223 -0.091 0.000 2.131 279 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 279 L C 2.291 179.113 176.870 -0.080 0.000 1.092 279 L CA 1.013 55.785 54.840 -0.113 0.000 0.759 279 L CB -0.246 41.736 42.059 -0.128 0.000 0.903 279 L HN 0.121 nan 8.230 nan 0.000 0.435 280 S N -0.827 114.839 115.700 -0.056 0.000 2.421 280 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 280 S C 1.855 176.435 174.600 -0.033 0.000 1.035 280 S CA 0.383 58.561 58.200 -0.037 0.000 0.953 280 S CB 0.011 63.194 63.200 -0.029 0.000 0.810 280 S HN 0.281 nan 8.310 nan 0.000 0.497 281 K N 1.467 121.845 120.400 -0.037 0.000 2.228 281 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 281 K C 1.689 178.272 176.600 -0.029 0.000 1.045 281 K CA 1.067 57.335 56.287 -0.032 0.000 0.931 281 K CB -0.304 32.174 32.500 -0.037 0.000 0.727 281 K HN 0.330 nan 8.250 nan 0.000 0.458 282 L N 0.438 121.640 121.223 -0.035 0.000 2.072 282 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 282 L C 1.937 178.798 176.870 -0.015 0.000 1.079 282 L CA 0.601 55.424 54.840 -0.029 0.000 0.752 282 L CB -0.253 41.781 42.059 -0.043 0.000 0.906 282 L HN 0.176 nan 8.230 nan 0.000 0.436 283 L N 0.679 121.893 121.223 -0.015 0.000 2.786 283 L HA -0.073 4.267 4.340 -0.000 0.000 0.250 283 L C 1.616 178.485 176.870 -0.002 0.000 1.151 283 L CA 0.174 55.011 54.840 -0.004 0.000 0.910 283 L CB -0.612 41.445 42.059 -0.003 0.000 1.082 283 L HN 0.249 nan 8.230 nan 0.000 0.433 284 R N 1.368 121.866 120.500 -0.004 0.000 4.160 284 R HA 0.047 4.387 4.340 -0.000 0.000 0.216 284 R C 0.746 177.047 176.300 0.002 0.000 2.009 284 R CA -0.209 55.890 56.100 -0.002 0.000 1.664 284 R CB -0.526 29.771 30.300 -0.004 0.000 1.216 284 R HN 0.245 nan 8.270 nan 0.000 0.648 285 G N 0.730 109.532 108.800 0.004 0.000 2.178 285 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.244 285 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.244 285 G C 0.131 175.035 174.900 0.007 0.000 1.213 285 G CA -0.206 44.898 45.100 0.008 0.000 0.912 285 G HN 0.363 nan 8.290 nan 0.000 0.474 286 T N 4.012 118.570 114.554 0.007 0.000 3.820 286 T HA 0.129 4.479 4.350 -0.000 0.000 0.224 286 T C 1.178 175.883 174.700 0.008 0.000 0.869 286 T CA -0.144 61.960 62.100 0.007 0.000 0.932 286 T CB -0.235 68.636 68.868 0.006 0.000 1.259 286 T HN 0.879 nan 8.240 nan 0.000 0.676 287 K N -0.322 120.083 120.400 0.009 0.000 3.273 287 K HA -0.243 4.077 4.320 -0.000 0.000 0.262 287 K C 0.014 176.620 176.600 0.011 0.000 0.850 287 K CA 0.731 57.024 56.287 0.010 0.000 0.626 287 K CB -2.273 30.233 32.500 0.010 0.000 1.488 287 K HN 0.541 nan 8.250 nan 0.000 0.469 288 A N 1.568 124.395 122.820 0.012 0.000 2.671 288 A HA 0.281 4.601 4.320 -0.000 0.000 0.306 288 A C 1.350 178.942 177.584 0.014 0.000 1.473 288 A CA -0.523 51.520 52.037 0.011 0.000 1.155 288 A CB 0.180 19.187 19.000 0.011 0.000 1.123 288 A HN 0.409 nan 8.150 nan 0.000 0.545 289 L N 2.693 123.923 121.223 0.012 0.000 2.085 289 L HA -0.208 4.132 4.340 -0.000 0.000 0.218 289 L C 2.046 178.926 176.870 0.015 0.000 1.080 289 L CA 2.780 57.628 54.840 0.013 0.000 0.776 289 L CB -0.173 41.891 42.059 0.008 0.000 0.891 289 L HN 0.621 nan 8.230 nan 0.000 0.437 290 T N -1.573 112.988 114.554 0.012 0.000 3.215 290 T HA 0.075 4.425 4.350 -0.000 0.000 0.271 290 T C 0.324 175.033 174.700 0.015 0.000 1.012 290 T CA -0.358 61.749 62.100 0.011 0.000 0.899 290 T CB -0.229 68.640 68.868 0.002 0.000 1.089 290 T HN 0.271 nan 8.240 nan 0.000 0.552 291 E N 2.619 122.831 120.200 0.019 0.000 2.341 291 E HA 0.094 4.444 4.350 -0.000 0.000 0.256 291 E C -0.340 176.279 176.600 0.032 0.000 1.125 291 E CA -0.199 56.213 56.400 0.021 0.000 0.939 291 E CB 0.345 30.057 29.700 0.020 0.000 0.991 291 E HN 0.071 nan 8.360 nan 0.000 0.458 292 V N 7.036 126.968 119.914 0.030 0.000 2.529 292 V HA 0.044 4.164 4.120 -0.000 0.000 0.292 292 V C 0.511 176.638 176.094 0.054 0.000 1.028 292 V CA 0.542 62.868 62.300 0.044 0.000 1.074 292 V CB 0.173 32.014 31.823 0.030 0.000 0.958 292 V HN 0.561 nan 8.190 nan 0.000 0.481 293 I N 7.569 128.189 120.570 0.083 0.000 2.447 293 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 293 I C -2.252 173.926 176.117 0.101 0.000 1.023 293 I CA -2.000 59.344 61.300 0.074 0.000 1.083 293 I CB 2.660 40.694 38.000 0.057 0.000 1.245 293 I HN 0.456 nan 8.210 nan 0.000 0.434 294 P HA 0.102 nan 4.420 nan 0.000 0.276 294 P C -0.494 176.825 177.300 0.033 0.000 1.264 294 P CA -0.466 62.679 63.100 0.075 0.000 0.769 294 P CB 0.807 32.536 31.700 0.049 0.000 0.840 295 L N 4.177 125.412 121.223 0.019 0.000 2.593 295 L HA -0.005 4.335 4.340 -0.000 0.000 0.287 295 L C 1.803 178.644 176.870 -0.048 0.000 1.243 295 L CA 1.112 55.902 54.840 -0.083 0.000 0.890 295 L CB -0.550 41.406 42.059 -0.171 0.000 1.134 295 L HN 0.531 nan 8.230 nan 0.000 0.502 296 T N 0.152 114.669 114.554 -0.061 0.000 2.729 296 T HA 0.213 4.563 4.350 -0.000 0.000 0.298 296 T C 1.101 175.773 174.700 -0.046 0.000 1.013 296 T CA -0.371 61.704 62.100 -0.042 0.000 0.957 296 T CB 0.587 69.430 68.868 -0.042 0.000 1.130 296 T HN 0.554 nan 8.240 nan 0.000 0.526 297 E N 0.541 120.720 120.200 -0.036 0.000 2.031 297 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 297 E C 2.195 178.768 176.600 -0.044 0.000 0.994 297 E CA 1.475 57.855 56.400 -0.034 0.000 0.800 297 E CB -0.441 29.244 29.700 -0.026 0.000 0.752 297 E HN 0.761 nan 8.360 nan 0.000 0.447 298 E N 0.713 120.884 120.200 -0.048 0.000 2.072 298 E HA -0.057 4.292 4.350 -0.000 0.000 0.191 298 E C 1.962 178.519 176.600 -0.072 0.000 0.985 298 E CA 1.199 57.566 56.400 -0.054 0.000 0.801 298 E CB -0.554 29.116 29.700 -0.051 0.000 0.750 298 E HN 0.287 nan 8.360 nan 0.000 0.452 299 A N 1.320 124.089 122.820 -0.086 0.000 1.948 299 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 299 A C 1.973 179.470 177.584 -0.144 0.000 1.177 299 A CA 1.806 53.768 52.037 -0.124 0.000 0.636 299 A CB -0.486 18.427 19.000 -0.146 0.000 0.815 299 A HN 0.245 nan 8.150 nan 0.000 0.449 300 E N -0.982 119.150 120.200 -0.113 0.000 2.072 300 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 300 E C 1.983 178.538 176.600 -0.074 0.000 0.985 300 E CA 1.178 57.519 56.400 -0.098 0.000 0.801 300 E CB -0.239 29.427 29.700 -0.057 0.000 0.750 300 E HN 0.558 nan 8.360 nan 0.000 0.452 301 L N 1.577 122.763 121.223 -0.061 0.000 2.044 301 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 301 L C 2.284 179.120 176.870 -0.057 0.000 1.075 301 L CA 1.819 56.630 54.840 -0.049 0.000 0.747 301 L CB -0.344 41.690 42.059 -0.042 0.000 0.903 301 L HN 0.024 nan 8.230 nan 0.000 0.435 302 E N -0.537 119.621 120.200 -0.069 0.000 2.033 302 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 302 E C 2.184 178.738 176.600 -0.077 0.000 1.011 302 E CA 1.961 58.319 56.400 -0.071 0.000 0.815 302 E CB -0.406 29.245 29.700 -0.081 0.000 0.755 302 E HN 0.403 nan 8.360 nan 0.000 0.451 303 L N 0.757 121.916 121.223 -0.107 0.000 2.189 303 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 303 L C 2.042 178.871 176.870 -0.068 0.000 1.097 303 L CA 2.094 56.866 54.840 -0.113 0.000 0.764 303 L CB -0.883 41.067 42.059 -0.182 0.000 0.900 303 L HN 0.251 nan 8.230 nan 0.000 0.436 304 A N -0.188 122.600 122.820 -0.055 0.000 1.834 304 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 304 A C 2.055 179.624 177.584 -0.024 0.000 1.203 304 A CA 1.843 53.862 52.037 -0.031 0.000 0.621 304 A CB -0.874 18.110 19.000 -0.026 0.000 0.841 304 A HN 0.594 nan 8.150 nan 0.000 0.446 305 E N 0.150 120.334 120.200 -0.026 0.000 2.147 305 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 305 E C 1.748 178.339 176.600 -0.014 0.000 1.005 305 E CA 1.278 57.666 56.400 -0.019 0.000 0.810 305 E CB -0.375 29.311 29.700 -0.024 0.000 0.736 305 E HN 0.545 nan 8.360 nan 0.000 0.460 306 N N 0.722 119.407 118.700 -0.026 0.000 2.223 306 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 306 N C 1.705 177.202 175.510 -0.023 0.000 1.016 306 N CA 0.896 53.931 53.050 -0.026 0.000 0.863 306 N CB -0.092 38.368 38.487 -0.045 0.000 0.983 306 N HN 0.221 nan 8.380 nan 0.000 0.429 307 R N 0.746 121.235 120.500 -0.019 0.000 2.062 307 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 307 R C 1.992 178.294 176.300 0.005 0.000 1.136 307 R CA 0.981 57.075 56.100 -0.010 0.000 0.948 307 R CB -0.286 30.012 30.300 -0.002 0.000 0.845 307 R HN 0.107 nan 8.270 nan 0.000 0.430 308 E N 1.305 121.510 120.200 0.007 0.000 2.147 308 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 308 E C 1.678 178.298 176.600 0.034 0.000 1.005 308 E CA 1.513 57.923 56.400 0.016 0.000 0.810 308 E CB -0.215 29.490 29.700 0.008 0.000 0.736 308 E HN 0.328 nan 8.360 nan 0.000 0.460 309 I N -0.433 120.162 120.570 0.042 0.000 2.233 309 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 309 I C 2.281 178.499 176.117 0.169 0.000 1.093 309 I CA 0.770 62.127 61.300 0.094 0.000 1.380 309 I CB -0.181 37.875 38.000 0.093 0.000 1.067 309 I HN 0.138 nan 8.210 nan 0.000 0.413 310 L N 0.394 121.650 121.223 0.056 0.000 2.093 310 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 310 L C 2.556 179.444 176.870 0.029 0.000 1.085 310 L CA 0.862 55.664 54.840 -0.063 0.000 0.755 310 L CB -0.515 41.437 42.059 -0.178 0.000 0.904 310 L HN 0.149 nan 8.230 nan 0.000 0.435 311 K N 1.371 121.795 120.400 0.041 0.000 2.034 311 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 311 K C 0.805 177.453 176.600 0.078 0.000 1.051 311 K CA 1.352 57.667 56.287 0.046 0.000 0.931 311 K CB -0.260 32.260 32.500 0.034 0.000 0.715 311 K HN 0.022 nan 8.250 nan 0.000 0.446 312 E N 1.922 122.181 120.200 0.098 0.000 2.003 312 E HA 0.120 4.470 4.350 -0.000 0.000 0.279 312 E C -2.392 174.282 176.600 0.123 0.000 1.132 312 E CA -2.734 53.718 56.400 0.087 0.000 0.888 312 E CB 0.397 30.130 29.700 0.055 0.000 1.056 312 E HN 0.127 nan 8.360 nan 0.000 0.399 313 P HA -0.079 nan 4.420 nan 0.000 0.260 313 P C -0.859 176.351 177.300 -0.149 0.000 1.172 313 P CA 0.144 63.271 63.100 0.046 0.000 0.760 313 P CB 0.677 32.412 31.700 0.059 0.000 0.773 314 V N 4.847 124.470 119.914 -0.484 0.000 2.656 314 V HA 0.343 4.463 4.120 -0.000 0.000 0.307 314 V C 0.170 175.815 176.094 -0.749 0.000 1.051 314 V CA -0.571 61.351 62.300 -0.631 0.000 0.893 314 V CB 1.771 33.040 31.823 -0.924 0.000 0.999 314 V HN 0.640 nan 8.190 nan 0.000 0.426 315 H N 1.635 120.447 119.070 -0.430 0.000 2.737 315 H HA 0.736 5.292 4.556 -0.000 0.000 0.358 315 H C -0.003 174.987 175.328 -0.563 0.000 1.187 315 H CA -0.221 55.531 56.048 -0.494 0.000 1.221 315 H CB 2.519 32.038 29.762 -0.404 0.000 1.799 315 H HN 0.811 nan 8.280 nan 0.000 0.568 316 G N 0.342 108.729 108.800 -0.689 0.000 2.524 316 G HA2 0.446 4.406 3.960 -0.000 0.000 0.310 316 G HA3 0.446 4.406 3.960 -0.000 0.000 0.310 316 G C -0.838 173.858 174.900 -0.340 0.000 1.279 316 G CA -0.340 44.384 45.100 -0.627 0.000 0.974 316 G HN 0.431 nan 8.290 nan 0.000 0.484 317 V N 1.311 121.246 119.914 0.035 0.000 3.513 317 V HA 0.683 4.803 4.120 -0.000 0.000 0.297 317 V C -0.349 175.994 176.094 0.415 0.000 1.058 317 V CA -0.898 61.441 62.300 0.065 0.000 1.003 317 V CB 1.259 33.119 31.823 0.062 0.000 1.236 317 V HN 0.676 nan 8.190 nan 0.000 0.436 318 Y N 0.019 120.498 120.300 0.298 0.000 2.593 318 Y HA 0.397 4.947 4.550 -0.000 0.000 0.330 318 Y C -0.848 175.219 175.900 0.277 0.000 1.223 318 Y CA -0.835 57.438 58.100 0.288 0.000 1.350 318 Y CB 1.138 39.717 38.460 0.199 0.000 1.499 318 Y HN 0.622 nan 8.280 nan 0.000 0.554 319 Y N 1.588 122.068 120.300 0.300 0.000 2.320 319 Y HA 0.203 4.753 4.550 -0.000 0.000 0.334 319 Y C -0.940 175.017 175.900 0.094 0.000 1.055 319 Y CA -1.376 56.823 58.100 0.165 0.000 1.143 319 Y CB 0.917 39.504 38.460 0.211 0.000 1.193 319 Y HN 0.427 nan 8.280 nan 0.000 0.477 320 D N 8.868 128.951 120.400 -0.529 0.000 2.464 320 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 320 D C -1.858 173.878 176.300 -0.939 0.000 1.104 320 D CA -2.448 51.243 54.000 -0.515 0.000 0.883 320 D CB 1.555 42.213 40.800 -0.237 0.000 1.050 320 D HN 0.297 nan 8.370 nan 0.000 0.524 321 P HA -0.254 nan 4.420 nan 0.000 0.216 321 P C 1.108 178.206 177.300 -0.336 0.000 1.154 321 P CA 1.170 63.868 63.100 -0.670 0.000 0.865 321 P CB 0.034 31.612 31.700 -0.204 0.000 0.789 322 S N -1.522 114.025 115.700 -0.256 0.000 2.500 322 S HA -0.069 4.401 4.470 -0.000 0.000 0.239 322 S C 0.939 175.455 174.600 -0.140 0.000 0.989 322 S CA 0.701 58.811 58.200 -0.151 0.000 0.951 322 S CB -0.701 62.431 63.200 -0.113 0.000 0.759 322 S HN 0.281 nan 8.310 nan 0.000 0.523 323 K N 0.993 121.277 120.400 -0.193 0.000 2.258 323 K HA 0.401 4.721 4.320 -0.000 0.000 0.236 323 K C -0.554 175.970 176.600 -0.126 0.000 1.008 323 K CA -0.980 55.225 56.287 -0.136 0.000 0.869 323 K CB 0.634 33.058 32.500 -0.126 0.000 1.171 323 K HN 0.023 nan 8.250 nan 0.000 0.447 324 D N 0.550 120.890 120.400 -0.100 0.000 2.312 324 D HA 0.072 4.712 4.640 -0.000 0.000 0.244 324 D C -0.527 175.683 176.300 -0.149 0.000 1.328 324 D CA 0.176 54.109 54.000 -0.111 0.000 0.965 324 D CB 0.482 41.211 40.800 -0.118 0.000 1.140 324 D HN 0.052 nan 8.370 nan 0.000 0.523 325 L N 0.944 122.031 121.223 -0.227 0.000 2.471 325 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 325 L C -1.434 175.156 176.870 -0.467 0.000 0.985 325 L CA -0.341 54.265 54.840 -0.390 0.000 0.868 325 L CB 0.991 42.786 42.059 -0.440 0.000 1.203 325 L HN 0.155 nan 8.230 nan 0.000 0.429 326 I N 3.708 123.925 120.570 -0.590 0.000 2.607 326 I HA 0.893 5.062 4.170 -0.000 0.000 0.305 326 I C 0.080 175.666 176.117 -0.885 0.000 0.995 326 I CA -0.437 60.422 61.300 -0.735 0.000 1.148 326 I CB 2.030 39.508 38.000 -0.870 0.000 1.323 326 I HN 0.631 nan 8.210 nan 0.000 0.461 327 A N 3.647 126.000 122.820 -0.779 0.000 2.422 327 A HA 0.837 5.157 4.320 -0.000 0.000 0.302 327 A C -0.954 176.432 177.584 -0.330 0.000 1.041 327 A CA -0.483 51.190 52.037 -0.606 0.000 0.708 327 A CB 1.381 19.840 19.000 -0.902 0.000 1.257 327 A HN 0.690 nan 8.150 nan 0.000 0.414 328 E N 1.134 121.302 120.200 -0.054 0.000 2.293 328 E HA 0.669 5.019 4.350 -0.000 0.000 0.270 328 E C -1.446 175.266 176.600 0.187 0.000 0.879 328 E CA -0.481 55.975 56.400 0.094 0.000 0.756 328 E CB 2.187 31.998 29.700 0.185 0.000 1.208 328 E HN 0.632 nan 8.360 nan 0.000 0.428 329 I N 2.567 123.250 120.570 0.188 0.000 2.689 329 I HA 0.324 4.494 4.170 -0.000 0.000 0.299 329 I C -0.870 175.385 176.117 0.230 0.000 1.059 329 I CA -0.853 60.606 61.300 0.265 0.000 1.055 329 I CB 1.959 40.115 38.000 0.260 0.000 1.243 329 I HN 0.373 nan 8.210 nan 0.000 0.425 330 Q N 4.694 124.640 119.800 0.243 0.000 2.284 330 Q HA 0.349 4.689 4.340 -0.000 0.000 0.269 330 Q C -1.345 174.657 176.000 0.002 0.000 1.026 330 Q CA -1.019 54.854 55.803 0.117 0.000 0.831 330 Q CB 2.627 31.394 28.738 0.050 0.000 1.322 330 Q HN 0.542 nan 8.270 nan 0.000 0.419 331 K N 2.432 122.686 120.400 -0.244 0.000 2.379 331 K HA 0.083 4.403 4.320 -0.000 0.000 0.284 331 K C 0.433 176.771 176.600 -0.436 0.000 1.044 331 K CA 0.216 56.051 56.287 -0.753 0.000 0.974 331 K CB 0.819 32.680 32.500 -1.065 0.000 0.962 331 K HN 0.633 nan 8.250 nan 0.000 0.474 332 Q N 2.400 121.943 119.800 -0.429 0.000 2.013 332 Q HA 0.059 4.399 4.340 -0.000 0.000 0.195 332 Q C 1.073 176.924 176.000 -0.248 0.000 0.974 332 Q CA 1.378 57.036 55.803 -0.241 0.000 0.826 332 Q CB 0.327 28.967 28.738 -0.163 0.000 0.895 332 Q HN 1.001 nan 8.270 nan 0.000 0.448 333 G N -0.591 108.033 108.800 -0.294 0.000 4.203 333 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.197 333 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.197 333 G C 0.302 175.121 174.900 -0.135 0.000 1.112 333 G CA -0.475 44.502 45.100 -0.205 0.000 0.856 333 G HN 0.032 nan 8.290 nan 0.000 0.317 334 Q N 1.528 121.267 119.800 -0.101 0.000 2.414 334 Q HA 0.404 4.744 4.340 -0.000 0.000 0.286 334 Q C 1.354 177.340 176.000 -0.022 0.000 0.941 334 Q CA 0.596 56.367 55.803 -0.054 0.000 0.951 334 Q CB 0.169 28.877 28.738 -0.049 0.000 1.188 334 Q HN 1.499 nan 8.270 nan 0.000 0.418 335 G N 0.592 109.388 108.800 -0.008 0.000 2.157 335 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 335 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 335 G C -0.043 174.942 174.900 0.142 0.000 0.982 335 G CA -0.315 44.854 45.100 0.115 0.000 0.650 335 G HN 0.418 nan 8.290 nan 0.000 0.527 336 Q N -1.134 118.636 119.800 -0.049 0.000 2.245 336 Q HA 0.680 5.020 4.340 -0.000 0.000 0.256 336 Q C -0.753 175.083 176.000 -0.273 0.000 0.942 336 Q CA -0.564 55.220 55.803 -0.032 0.000 0.896 336 Q CB 1.363 30.063 28.738 -0.064 0.000 1.272 336 Q HN 0.358 nan 8.270 nan 0.000 0.442 337 W N 0.172 121.529 121.300 0.095 0.000 3.127 337 W HA 0.540 5.199 4.660 -0.000 0.000 0.330 337 W C -0.438 176.175 176.519 0.157 0.000 1.187 337 W CA -0.526 56.907 57.345 0.147 0.000 1.198 337 W CB 2.234 31.838 29.460 0.240 0.000 1.408 337 W HN 0.413 nan 8.180 nan 0.000 0.529 338 T N 1.616 116.369 114.554 0.332 0.000 2.903 338 T HA 0.734 5.083 4.350 -0.000 0.000 0.299 338 T C -1.792 173.077 174.700 0.281 0.000 1.093 338 T CA -0.491 61.734 62.100 0.208 0.000 1.002 338 T CB 0.934 69.843 68.868 0.069 0.000 1.127 338 T HN 0.374 nan 8.240 nan 0.000 0.488 339 Y N 1.449 121.842 120.300 0.155 0.000 2.597 339 Y HA 0.782 5.332 4.550 -0.000 0.000 0.340 339 Y C -1.232 174.738 175.900 0.116 0.000 1.097 339 Y CA -1.222 56.958 58.100 0.133 0.000 1.037 339 Y CB 1.362 39.904 38.460 0.137 0.000 1.305 339 Y HN 0.541 nan 8.280 nan 0.000 0.463 340 Q N 3.237 123.212 119.800 0.291 0.000 2.389 340 Q HA 0.613 4.953 4.340 -0.000 0.000 0.277 340 Q C -1.753 174.413 176.000 0.276 0.000 1.082 340 Q CA -0.812 55.132 55.803 0.234 0.000 0.810 340 Q CB 3.164 31.999 28.738 0.161 0.000 1.374 340 Q HN 0.936 nan 8.270 nan 0.000 0.422 341 I N 3.095 123.802 120.570 0.229 0.000 2.433 341 I HA 0.543 4.712 4.170 -0.000 0.000 0.292 341 I C -1.067 175.059 176.117 0.015 0.000 1.001 341 I CA -1.067 60.226 61.300 -0.012 0.000 1.119 341 I CB 1.238 39.239 38.000 0.000 0.000 1.289 341 I HN 0.729 nan 8.210 nan 0.000 0.438 342 Y N 3.147 123.363 120.300 -0.140 0.000 2.655 342 Y HA 0.479 5.029 4.550 -0.000 0.000 0.336 342 Y C -0.167 175.643 175.900 -0.151 0.000 1.154 342 Y CA -0.906 57.123 58.100 -0.118 0.000 1.055 342 Y CB 1.109 39.517 38.460 -0.087 0.000 1.295 342 Y HN 0.448 nan 8.280 nan 0.000 0.465 343 Q N -0.212 119.667 119.800 0.132 0.000 2.511 343 Q HA 0.220 4.559 4.340 -0.000 0.000 0.236 343 Q C -0.408 175.663 176.000 0.118 0.000 0.893 343 Q CA 0.147 55.975 55.803 0.041 0.000 0.947 343 Q CB 0.911 29.644 28.738 -0.009 0.000 1.110 343 Q HN 0.632 nan 8.270 nan 0.000 0.591 344 E N 0.503 120.775 120.200 0.120 0.000 2.243 344 E HA 0.191 4.541 4.350 -0.000 0.000 0.260 344 E C -1.909 174.641 176.600 -0.082 0.000 0.985 344 E CA -2.010 54.415 56.400 0.042 0.000 0.858 344 E CB 0.537 30.256 29.700 0.033 0.000 1.210 344 E HN -0.153 nan 8.360 nan 0.000 0.411 345 P HA -0.020 nan 4.420 nan 0.000 0.215 345 P C 0.796 177.648 177.300 -0.746 0.000 1.157 345 P CA 1.325 64.133 63.100 -0.486 0.000 0.859 345 P CB 0.117 31.596 31.700 -0.368 0.000 0.786 346 F N -1.606 118.244 119.950 -0.166 0.000 2.500 346 F HA 0.247 4.774 4.527 -0.000 0.000 0.285 346 F C 1.145 176.864 175.800 -0.136 0.000 1.088 346 F CA 0.036 57.945 58.000 -0.153 0.000 1.432 346 F CB -0.180 38.752 39.000 -0.113 0.000 1.131 346 F HN -0.361 nan 8.300 nan 0.000 0.582 347 K N 1.319 121.746 120.400 0.045 0.000 2.201 347 K HA 0.233 4.553 4.320 -0.000 0.000 0.278 347 K C -0.386 176.212 176.600 -0.003 0.000 1.027 347 K CA -0.270 56.017 56.287 0.000 0.000 0.909 347 K CB 0.307 32.806 32.500 -0.002 0.000 1.062 347 K HN -0.146 nan 8.250 nan 0.000 0.465 348 N N 2.595 121.292 118.700 -0.006 0.000 2.434 348 N HA 0.153 4.893 4.740 -0.000 0.000 0.266 348 N C 0.330 175.938 175.510 0.163 0.000 1.223 348 N CA -0.383 52.713 53.050 0.078 0.000 0.972 348 N CB 0.770 39.293 38.487 0.061 0.000 1.207 348 N HN 0.389 nan 8.380 nan 0.000 0.525 349 L N 0.207 121.587 121.223 0.261 0.000 2.316 349 L HA 0.319 4.659 4.340 -0.000 0.000 0.207 349 L C 0.412 177.638 176.870 0.594 0.000 1.070 349 L CA 1.431 56.517 54.840 0.410 0.000 0.820 349 L CB -0.264 41.972 42.059 0.295 0.000 0.992 349 L HN 0.648 nan 8.230 nan 0.000 0.466 350 K N -1.759 118.911 120.400 0.449 0.000 2.736 350 K HA 0.343 4.663 4.320 -0.000 0.000 0.290 350 K C -1.310 175.454 176.600 0.272 0.000 1.033 350 K CA 0.163 56.741 56.287 0.484 0.000 0.852 350 K CB 0.956 33.709 32.500 0.421 0.000 1.494 350 K HN 0.028 nan 8.250 nan 0.000 0.378 351 T N -1.330 113.324 114.554 0.166 0.000 2.716 351 T HA 0.941 5.291 4.350 -0.000 0.000 0.286 351 T C 0.061 174.590 174.700 -0.285 0.000 1.052 351 T CA -0.163 61.912 62.100 -0.043 0.000 1.024 351 T CB 1.887 70.724 68.868 -0.052 0.000 1.349 351 T HN 0.971 nan 8.240 nan 0.000 0.525 352 G N -0.104 108.281 108.800 -0.691 0.000 2.320 352 G HA2 0.561 4.521 3.960 -0.000 0.000 0.296 352 G HA3 0.561 4.521 3.960 -0.000 0.000 0.296 352 G C -2.068 172.402 174.900 -0.717 0.000 1.306 352 G CA -0.667 43.984 45.100 -0.748 0.000 0.836 352 G HN 0.998 nan 8.290 nan 0.000 0.517 353 K N -1.784 118.492 120.400 -0.207 0.000 2.439 353 K HA 0.834 5.154 4.320 -0.000 0.000 0.260 353 K C -1.931 174.890 176.600 0.368 0.000 1.032 353 K CA -1.197 55.150 56.287 0.101 0.000 0.882 353 K CB 2.876 35.413 32.500 0.061 0.000 1.420 353 K HN 0.968 nan 8.250 nan 0.000 0.455 354 Y N -0.343 120.120 120.300 0.272 0.000 2.480 354 Y HA 0.560 5.110 4.550 -0.000 0.000 0.329 354 Y C -2.259 173.803 175.900 0.269 0.000 1.127 354 Y CA -0.342 57.905 58.100 0.245 0.000 1.037 354 Y CB 2.133 40.724 38.460 0.218 0.000 1.320 354 Y HN 1.011 nan 8.280 nan 0.000 0.446 355 A N 4.761 127.089 122.820 -0.820 0.000 2.515 355 A HA 0.718 5.037 4.320 -0.000 0.000 0.298 355 A C -1.579 175.612 177.584 -0.655 0.000 1.059 355 A CA -1.026 50.743 52.037 -0.445 0.000 0.698 355 A CB 1.488 20.396 19.000 -0.153 0.000 1.289 355 A HN 0.675 nan 8.150 nan 0.000 0.404 356 R N 2.423 122.788 120.500 -0.226 0.000 2.402 356 R HA 0.237 4.577 4.340 -0.000 0.000 0.331 356 R C -0.179 176.080 176.300 -0.070 0.000 1.040 356 R CA 0.058 56.110 56.100 -0.080 0.000 0.980 356 R CB -0.991 29.362 30.300 0.088 0.000 0.967 356 R HN 0.714 nan 8.270 nan 0.000 0.440 357 M N 5.959 125.516 119.600 -0.073 0.000 2.338 357 M HA -0.037 4.443 4.480 -0.000 0.000 0.360 357 M C 0.496 176.798 176.300 0.003 0.000 1.547 357 M CA 0.548 55.829 55.300 -0.031 0.000 1.001 357 M CB 0.158 32.756 32.600 -0.002 0.000 2.008 357 M HN 0.556 nan 8.290 nan 0.000 0.464 358 R N 2.370 122.866 120.500 -0.005 0.000 3.342 358 R HA 0.029 4.369 4.340 -0.000 0.000 0.216 358 R C -0.199 176.110 176.300 0.015 0.000 0.720 358 R CA 0.657 56.757 56.100 -0.000 0.000 0.995 358 R CB -1.093 29.204 30.300 -0.006 0.000 0.982 358 R HN 0.845 nan 8.270 nan 0.000 0.358 359 G N 1.620 110.428 108.800 0.013 0.000 2.635 359 G HA2 0.472 4.432 3.960 -0.000 0.000 0.295 359 G HA3 0.472 4.432 3.960 -0.000 0.000 0.295 359 G C 0.238 175.126 174.900 -0.020 0.000 1.359 359 G CA -0.430 44.686 45.100 0.027 0.000 1.232 359 G HN 0.679 nan 8.290 nan 0.000 0.597 360 A N 1.560 124.324 122.820 -0.093 0.000 2.272 360 A HA 0.209 4.529 4.320 -0.000 0.000 0.213 360 A C 0.806 178.025 177.584 -0.608 0.000 1.183 360 A CA 1.205 53.054 52.037 -0.313 0.000 0.719 360 A CB -0.436 18.344 19.000 -0.366 0.000 0.771 360 A HN 0.799 nan 8.150 nan 0.000 0.484 361 H N -3.331 115.796 119.070 0.096 0.000 3.038 361 H HA 0.613 5.169 4.556 -0.000 0.000 0.362 361 H C -0.706 174.690 175.328 0.113 0.000 1.167 361 H CA -0.182 55.926 56.048 0.100 0.000 1.197 361 H CB 2.007 31.830 29.762 0.102 0.000 1.840 361 H HN 0.096 nan 8.280 nan 0.000 0.540 362 T N 1.706 116.410 114.554 0.250 0.000 2.886 362 T HA 0.099 4.449 4.350 -0.000 0.000 0.341 362 T C -1.620 173.170 174.700 0.151 0.000 1.839 362 T CA -1.046 61.163 62.100 0.181 0.000 1.052 362 T CB 1.433 70.390 68.868 0.149 0.000 1.715 362 T HN 0.717 nan 8.240 nan 0.000 0.504 363 N N 0.911 119.665 118.700 0.090 0.000 2.443 363 N HA 0.278 5.018 4.740 -0.000 0.000 0.293 363 N C 0.175 175.690 175.510 0.009 0.000 1.159 363 N CA -0.367 52.715 53.050 0.054 0.000 0.904 363 N CB 1.837 40.326 38.487 0.003 0.000 1.214 363 N HN 0.498 nan 8.380 nan 0.000 0.513 364 D N 1.305 121.751 120.400 0.077 0.000 2.117 364 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 364 D C 1.801 178.029 176.300 -0.120 0.000 0.987 364 D CA 1.149 55.257 54.000 0.181 0.000 0.829 364 D CB 0.005 40.977 40.800 0.286 0.000 0.961 364 D HN 0.361 nan 8.370 nan 0.000 0.460 365 V N 0.918 120.612 119.914 -0.366 0.000 2.343 365 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 365 V C 2.443 177.908 176.094 -1.049 0.000 1.051 365 V CA 1.431 63.282 62.300 -0.749 0.000 1.036 365 V CB -0.384 30.701 31.823 -1.230 0.000 0.654 365 V HN 0.174 nan 8.190 nan 0.000 0.451 366 K N -0.187 119.636 120.400 -0.962 0.000 2.002 366 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 366 K C 2.322 178.655 176.600 -0.446 0.000 1.048 366 K CA 1.810 57.691 56.287 -0.677 0.000 0.930 366 K CB -0.159 32.162 32.500 -0.298 0.000 0.714 366 K HN 0.491 nan 8.250 nan 0.000 0.438 367 Q N 0.333 119.926 119.800 -0.345 0.000 2.096 367 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 367 Q C 2.151 177.639 176.000 -0.855 0.000 0.982 367 Q CA 1.452 57.036 55.803 -0.366 0.000 0.850 367 Q CB -0.121 28.559 28.738 -0.098 0.000 0.901 367 Q HN 0.246 nan 8.270 nan 0.000 0.422 368 L N 0.233 120.858 121.223 -0.995 0.000 2.201 368 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 368 L C 1.920 178.335 176.870 -0.758 0.000 1.105 368 L CA 1.775 55.962 54.840 -1.089 0.000 0.775 368 L CB -0.396 41.211 42.059 -0.754 0.000 0.913 368 L HN 0.138 nan 8.230 nan 0.000 0.440 369 T N -1.431 112.782 114.554 -0.569 0.000 2.896 369 T HA -0.083 4.266 4.350 -0.000 0.000 0.263 369 T C 1.632 176.046 174.700 -0.476 0.000 1.050 369 T CA 1.207 63.049 62.100 -0.430 0.000 1.140 369 T CB -0.192 68.629 68.868 -0.078 0.000 0.877 369 T HN 0.407 nan 8.240 nan 0.000 0.457 370 E N 1.586 121.485 120.200 -0.503 0.000 2.118 370 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 370 E C 2.530 178.556 176.600 -0.957 0.000 0.992 370 E CA 1.012 57.073 56.400 -0.565 0.000 0.804 370 E CB -0.271 29.176 29.700 -0.420 0.000 0.741 370 E HN 0.514 nan 8.360 nan 0.000 0.458 371 A N 0.912 123.036 122.820 -1.160 0.000 1.858 371 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 371 A C 2.530 179.738 177.584 -0.626 0.000 1.190 371 A CA 1.342 52.787 52.037 -0.985 0.000 0.617 371 A CB -0.838 17.747 19.000 -0.691 0.000 0.827 371 A HN 0.131 nan 8.150 nan 0.000 0.443 372 V N 0.159 119.686 119.914 -0.645 0.000 2.380 372 V HA -0.315 3.805 4.120 -0.000 0.000 0.251 372 V C 2.769 178.513 176.094 -0.583 0.000 1.063 372 V CA 2.465 64.315 62.300 -0.750 0.000 1.055 372 V CB -0.832 30.386 31.823 -1.008 0.000 0.657 372 V HN 0.706 nan 8.190 nan 0.000 0.455 373 Q N 0.972 120.486 119.800 -0.477 0.000 2.020 373 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 373 Q C 2.277 178.146 176.000 -0.218 0.000 0.982 373 Q CA 2.251 57.870 55.803 -0.307 0.000 0.838 373 Q CB -0.523 28.067 28.738 -0.247 0.000 0.899 373 Q HN 0.634 nan 8.270 nan 0.000 0.423 374 K N -0.310 119.939 120.400 -0.252 0.000 2.147 374 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 374 K C 1.895 178.415 176.600 -0.134 0.000 1.049 374 K CA 1.365 57.569 56.287 -0.139 0.000 0.936 374 K CB -0.191 32.255 32.500 -0.089 0.000 0.722 374 K HN 0.346 nan 8.250 nan 0.000 0.446 375 I N 0.810 121.252 120.570 -0.214 0.000 2.439 375 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 375 I C 1.844 177.975 176.117 0.023 0.000 1.139 375 I CA 1.034 62.228 61.300 -0.175 0.000 1.438 375 I CB -0.439 37.467 38.000 -0.157 0.000 1.085 375 I HN 0.198 nan 8.210 nan 0.000 0.427 376 T N 0.137 114.718 114.554 0.045 0.000 2.777 376 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 376 T C 1.940 176.653 174.700 0.022 0.000 1.040 376 T CA 1.892 64.035 62.100 0.071 0.000 1.141 376 T CB -0.385 68.471 68.868 -0.021 0.000 0.868 376 T HN 0.322 nan 8.240 nan 0.000 0.444 377 T N 1.648 116.193 114.554 -0.015 0.000 2.821 377 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 377 T C 1.912 176.592 174.700 -0.034 0.000 1.046 377 T CA 1.202 63.292 62.100 -0.016 0.000 1.139 377 T CB -0.178 68.681 68.868 -0.016 0.000 0.871 377 T HN 0.514 nan 8.240 nan 0.000 0.454 378 E N 0.812 120.989 120.200 -0.039 0.000 2.072 378 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 378 E C 2.351 178.861 176.600 -0.151 0.000 0.985 378 E CA 1.122 57.469 56.400 -0.089 0.000 0.801 378 E CB -0.025 29.649 29.700 -0.043 0.000 0.750 378 E HN 0.332 nan 8.360 nan 0.000 0.452 379 S N 0.635 116.340 115.700 0.008 0.000 2.359 379 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 379 S C 1.954 176.580 174.600 0.045 0.000 1.035 379 S CA 1.231 59.540 58.200 0.181 0.000 1.018 379 S CB -0.271 63.078 63.200 0.249 0.000 0.876 379 S HN 0.310 nan 8.310 nan 0.000 0.448 380 I N 1.388 121.962 120.570 0.007 0.000 2.264 380 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 380 I C 2.045 178.115 176.117 -0.079 0.000 1.111 380 I CA 0.913 62.205 61.300 -0.013 0.000 1.382 380 I CB -0.507 37.492 38.000 -0.001 0.000 1.060 380 I HN 0.177 nan 8.210 nan 0.000 0.418 381 V N 0.781 120.615 119.914 -0.133 0.000 2.407 381 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 381 V C 2.226 178.142 176.094 -0.298 0.000 1.041 381 V CA 1.504 63.702 62.300 -0.170 0.000 1.040 381 V CB -0.380 31.351 31.823 -0.153 0.000 0.671 381 V HN 0.309 nan 8.190 nan 0.000 0.455 382 I N -1.399 118.857 120.570 -0.524 0.000 2.277 382 I HA -0.138 4.032 4.170 -0.000 0.000 0.243 382 I C 2.213 177.798 176.117 -0.888 0.000 1.094 382 I CA 1.666 62.410 61.300 -0.926 0.000 1.393 382 I CB -0.222 36.689 38.000 -1.814 0.000 1.078 382 I HN 0.396 nan 8.210 nan 0.000 0.417 383 W N 0.038 121.154 121.300 -0.306 0.000 2.940 383 W HA 0.363 5.023 4.660 -0.000 0.000 0.297 383 W C 1.380 177.757 176.519 -0.237 0.000 1.149 383 W CA 0.689 57.782 57.345 -0.421 0.000 1.564 383 W CB -0.216 28.867 29.460 -0.629 0.000 1.010 383 W HN 0.311 nan 8.180 nan 0.000 0.578 384 G N 2.454 111.260 108.800 0.010 0.000 2.137 384 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 384 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 384 G C 0.012 174.941 174.900 0.049 0.000 1.002 384 G CA 0.591 45.701 45.100 0.017 0.000 0.702 384 G HN 0.338 nan 8.290 nan 0.000 0.515 385 K N -1.394 119.049 120.400 0.072 0.000 2.610 385 K HA 0.633 4.952 4.320 -0.000 0.000 0.278 385 K C -0.047 176.590 176.600 0.062 0.000 0.964 385 K CA -0.505 55.818 56.287 0.060 0.000 0.859 385 K CB 0.488 33.021 32.500 0.054 0.000 1.434 385 K HN 0.482 nan 8.250 nan 0.000 0.410 386 T N -0.271 114.309 114.554 0.043 0.000 2.813 386 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 386 T C -2.066 172.609 174.700 -0.041 0.000 1.036 386 T CA -0.881 61.245 62.100 0.043 0.000 1.044 386 T CB 0.689 69.596 68.868 0.065 0.000 0.993 386 T HN 0.547 nan 8.240 nan 0.000 0.535 387 P HA 0.468 nan 4.420 nan 0.000 0.290 387 P C -1.343 175.730 177.300 -0.378 0.000 1.302 387 P CA -1.129 61.754 63.100 -0.362 0.000 0.893 387 P CB 1.448 32.789 31.700 -0.598 0.000 1.272 388 K N 0.620 120.792 120.400 -0.379 0.000 2.285 388 K HA 0.375 4.695 4.320 -0.000 0.000 0.286 388 K C -0.425 175.957 176.600 -0.362 0.000 1.072 388 K CA -0.207 55.938 56.287 -0.237 0.000 0.913 388 K CB 0.007 32.400 32.500 -0.179 0.000 1.067 388 K HN 0.325 nan 8.250 nan 0.000 0.479 389 F N 2.159 122.036 119.950 -0.122 0.000 2.384 389 F HA 0.253 4.780 4.527 -0.000 0.000 0.338 389 F C 0.760 176.542 175.800 -0.030 0.000 1.103 389 F CA -0.358 57.572 58.000 -0.117 0.000 1.157 389 F CB 1.013 39.910 39.000 -0.170 0.000 1.167 389 F HN 0.141 nan 8.300 nan 0.000 0.529 390 K N 4.792 125.249 120.400 0.094 0.000 2.507 390 K HA 0.558 4.878 4.320 -0.000 0.000 0.253 390 K C -1.341 175.321 176.600 0.104 0.000 0.969 390 K CA -0.381 55.960 56.287 0.091 0.000 0.908 390 K CB 1.272 33.793 32.500 0.035 0.000 1.127 390 K HN 0.518 nan 8.250 nan 0.000 0.437 391 L N 3.915 125.225 121.223 0.145 0.000 2.354 391 L HA 0.488 4.828 4.340 -0.000 0.000 0.269 391 L C -1.916 174.968 176.870 0.023 0.000 1.005 391 L CA -2.240 52.640 54.840 0.067 0.000 0.819 391 L CB 2.023 44.037 42.059 -0.075 0.000 1.311 391 L HN 0.402 nan 8.230 nan 0.000 0.423 392 P HA 0.123 nan 4.420 nan 0.000 0.261 392 P C -0.499 176.874 177.300 0.121 0.000 1.650 392 P CA 0.652 63.734 63.100 -0.029 0.000 0.846 392 P CB 0.199 31.930 31.700 0.052 0.000 1.758 393 I N 0.370 121.097 120.570 0.261 0.000 2.802 393 I HA 0.237 4.407 4.170 -0.000 0.000 0.298 393 I C -1.161 175.455 176.117 0.831 0.000 1.176 393 I CA -1.091 60.467 61.300 0.430 0.000 1.025 393 I CB 2.838 40.956 38.000 0.198 0.000 1.243 393 I HN -0.220 nan 8.210 nan 0.000 0.424 394 Q N 6.962 127.114 119.800 0.586 0.000 2.303 394 Q HA 0.312 4.652 4.340 -0.000 0.000 0.257 394 Q C 0.267 176.498 176.000 0.385 0.000 0.941 394 Q CA -0.754 55.226 55.803 0.294 0.000 0.931 394 Q CB 1.461 30.118 28.738 -0.134 0.000 1.215 394 Q HN 0.566 nan 8.270 nan 0.000 0.437 395 K N 1.985 122.612 120.400 0.379 0.000 2.159 395 K HA -0.271 4.049 4.320 -0.000 0.000 0.217 395 K C 1.283 178.084 176.600 0.334 0.000 1.048 395 K CA 2.042 58.566 56.287 0.395 0.000 0.941 395 K CB -0.057 32.473 32.500 0.050 0.000 0.738 395 K HN 0.604 nan 8.250 nan 0.000 0.469 396 E N 0.033 120.319 120.200 0.144 0.000 2.118 396 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 396 E C 2.111 178.755 176.600 0.075 0.000 0.992 396 E CA 1.522 57.962 56.400 0.068 0.000 0.804 396 E CB -0.353 29.344 29.700 -0.005 0.000 0.741 396 E HN 0.464 nan 8.360 nan 0.000 0.458 397 T N 0.829 115.460 114.554 0.128 0.000 2.732 397 T HA -0.122 4.228 4.350 -0.000 0.000 0.261 397 T C 1.510 176.293 174.700 0.139 0.000 1.040 397 T CA 0.917 63.074 62.100 0.095 0.000 1.145 397 T CB -0.452 68.477 68.868 0.101 0.000 0.866 397 T HN 0.374 nan 8.240 nan 0.000 0.427 398 W N 2.458 123.852 121.300 0.155 0.000 2.332 398 W HA -0.143 4.517 4.660 -0.000 0.000 0.321 398 W C 2.059 178.748 176.519 0.284 0.000 1.219 398 W CA 1.703 59.172 57.345 0.207 0.000 1.277 398 W CB -0.428 29.163 29.460 0.217 0.000 1.161 398 W HN 0.330 nan 8.180 nan 0.000 0.476 399 E N -0.590 119.721 120.200 0.185 0.000 2.265 399 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 399 E C 2.055 178.229 176.600 -0.709 0.000 0.996 399 E CA 1.597 57.805 56.400 -0.319 0.000 0.832 399 E CB -0.176 29.556 29.700 0.055 0.000 0.756 399 E HN 0.143 nan 8.360 nan 0.000 0.491 400 T N -1.109 113.243 114.554 -0.336 0.000 3.043 400 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 400 T C 1.073 175.586 174.700 -0.312 0.000 1.094 400 T CA 0.817 62.726 62.100 -0.319 0.000 1.127 400 T CB -0.182 68.589 68.868 -0.161 0.000 0.905 400 T HN 0.474 nan 8.240 nan 0.000 0.490 401 W N 1.027 122.047 121.300 -0.467 0.000 2.480 401 W HA 0.115 4.775 4.660 -0.000 0.000 0.299 401 W C 2.090 178.384 176.519 -0.374 0.000 1.187 401 W CA 0.881 57.969 57.345 -0.428 0.000 1.347 401 W CB -0.599 28.557 29.460 -0.506 0.000 1.121 401 W HN 0.454 nan 8.180 nan 0.000 0.533 402 W N 0.430 121.300 121.300 -0.717 0.000 2.465 402 W HA -0.033 4.627 4.660 -0.000 0.000 0.268 402 W C 1.071 177.295 176.519 -0.491 0.000 1.242 402 W CA 1.301 58.127 57.345 -0.865 0.000 1.248 402 W CB -1.232 27.966 29.460 -0.437 0.000 1.118 402 W HN -0.203 nan 8.180 nan 0.000 0.587 403 T N 1.470 115.666 114.554 -0.598 0.000 2.942 403 T HA -0.102 4.247 4.350 -0.000 0.000 0.265 403 T C 1.391 175.927 174.700 -0.272 0.000 1.062 403 T CA 1.440 63.228 62.100 -0.520 0.000 1.139 403 T CB -0.117 68.254 68.868 -0.829 0.000 0.883 403 T HN 0.231 nan 8.240 nan 0.000 0.468 404 E N -0.347 119.654 120.200 -0.330 0.000 2.478 404 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 404 E C -0.265 176.216 176.600 -0.198 0.000 1.045 404 E CA -0.150 56.118 56.400 -0.220 0.000 0.868 404 E CB 0.206 29.789 29.700 -0.194 0.000 0.885 404 E HN 0.392 nan 8.360 nan 0.000 0.505 405 Y N 1.971 121.916 120.300 -0.592 0.000 2.359 405 Y HA -0.092 4.457 4.550 -0.000 0.000 0.330 405 Y C 1.060 176.721 175.900 -0.397 0.000 1.143 405 Y CA -1.295 56.382 58.100 -0.705 0.000 1.318 405 Y CB 0.304 37.971 38.460 -1.322 0.000 1.234 405 Y HN 0.110 nan 8.280 nan 0.000 0.522 406 W N 3.650 124.597 121.300 -0.588 0.000 2.519 406 W HA 0.001 4.661 4.660 -0.000 0.000 0.266 406 W C -0.169 176.024 176.519 -0.544 0.000 1.253 406 W CA 0.143 57.205 57.345 -0.472 0.000 1.274 406 W CB -0.176 29.062 29.460 -0.370 0.000 1.114 406 W HN 0.500 nan 8.180 nan 0.000 0.596 407 Q N 1.525 120.331 119.800 -1.657 0.000 2.230 407 Q HA 0.498 4.838 4.340 -0.000 0.000 0.248 407 Q C -0.305 175.389 176.000 -0.510 0.000 0.915 407 Q CA -0.352 54.750 55.803 -1.168 0.000 0.900 407 Q CB 1.755 29.293 28.738 -1.999 0.000 1.229 407 Q HN 0.048 nan 8.270 nan 0.000 0.439 408 A N 2.305 125.001 122.820 -0.207 0.000 2.354 408 A HA 0.562 4.881 4.320 -0.000 0.000 0.269 408 A C -0.271 177.294 177.584 -0.032 0.000 1.109 408 A CA -0.010 51.966 52.037 -0.103 0.000 0.800 408 A CB 0.526 19.483 19.000 -0.072 0.000 1.045 408 A HN 0.808 nan 8.150 nan 0.000 0.489 409 T N -1.438 113.121 114.554 0.009 0.000 2.865 409 T HA 0.660 5.010 4.350 -0.000 0.000 0.294 409 T C -0.893 173.931 174.700 0.205 0.000 1.119 409 T CA -0.583 61.599 62.100 0.135 0.000 1.007 409 T CB 1.414 70.453 68.868 0.285 0.000 1.225 409 T HN 0.913 nan 8.240 nan 0.000 0.515 410 W N 2.950 124.219 121.300 -0.050 0.000 2.728 410 W HA 0.488 5.148 4.660 -0.000 0.000 0.324 410 W C -1.027 175.422 176.519 -0.116 0.000 1.012 410 W CA -1.447 55.837 57.345 -0.100 0.000 1.279 410 W CB 1.095 30.496 29.460 -0.098 0.000 1.289 410 W HN 0.882 nan 8.180 nan 0.000 0.418 411 I N 6.042 126.400 120.570 -0.352 0.000 2.256 411 I HA 0.376 4.546 4.170 -0.000 0.000 0.294 411 I C -1.582 173.953 176.117 -0.971 0.000 1.127 411 I CA -1.811 59.085 61.300 -0.673 0.000 1.247 411 I CB -0.044 37.730 38.000 -0.376 0.000 1.460 411 I HN 0.041 nan 8.210 nan 0.000 0.511 412 P HA -0.011 nan 4.420 nan 0.000 0.276 412 P C -0.473 176.673 177.300 -0.258 0.000 1.264 412 P CA 0.019 62.705 63.100 -0.690 0.000 0.815 412 P CB 0.343 31.794 31.700 -0.415 0.000 1.121 413 E N 0.019 120.156 120.200 -0.104 0.000 2.415 413 E HA 0.171 4.521 4.350 -0.000 0.000 0.263 413 E C -0.243 176.462 176.600 0.175 0.000 0.995 413 E CA 0.378 56.784 56.400 0.011 0.000 0.915 413 E CB -0.166 29.519 29.700 -0.025 0.000 0.951 413 E HN 0.390 nan 8.360 nan 0.000 0.449 414 W N 0.899 122.121 121.300 -0.129 0.000 3.075 414 W HA 0.650 5.310 4.660 -0.000 0.000 0.334 414 W C -0.881 175.608 176.519 -0.050 0.000 1.243 414 W CA -0.992 56.300 57.345 -0.088 0.000 1.170 414 W CB 0.714 30.067 29.460 -0.179 0.000 1.452 414 W HN 0.428 nan 8.180 nan 0.000 0.572 415 E N 0.726 121.016 120.200 0.150 0.000 2.299 415 E HA 0.477 4.827 4.350 -0.000 0.000 0.265 415 E C -1.625 175.098 176.600 0.204 0.000 0.911 415 E CA -1.110 55.302 56.400 0.019 0.000 0.789 415 E CB 2.953 32.666 29.700 0.021 0.000 1.246 415 E HN 0.267 nan 8.360 nan 0.000 0.427 416 F N 2.119 122.069 119.950 -0.001 0.000 2.399 416 F HA 0.399 4.926 4.527 -0.000 0.000 0.342 416 F C -0.790 175.060 175.800 0.083 0.000 1.106 416 F CA -0.330 57.731 58.000 0.102 0.000 1.196 416 F CB 0.849 39.872 39.000 0.038 0.000 1.163 416 F HN 0.097 nan 8.300 nan 0.000 0.547 417 V N 5.456 124.901 119.914 -0.781 0.000 2.439 417 V HA 0.123 4.243 4.120 -0.000 0.000 0.277 417 V C -0.810 174.777 176.094 -0.844 0.000 1.008 417 V CA -1.044 60.932 62.300 -0.539 0.000 0.846 417 V CB 1.113 32.804 31.823 -0.220 0.000 1.031 417 V HN 0.763 nan 8.190 nan 0.000 0.441 418 N N 2.466 120.750 118.700 -0.694 0.000 2.416 418 N HA 0.279 5.019 4.740 -0.000 0.000 0.265 418 N C -0.329 175.102 175.510 -0.132 0.000 1.195 418 N CA 0.746 53.626 53.050 -0.284 0.000 0.943 418 N CB 0.747 39.364 38.487 0.216 0.000 1.115 418 N HN 0.646 nan 8.380 nan 0.000 0.481 419 T N 4.273 118.758 114.554 -0.114 0.000 3.999 419 T HA 0.181 4.531 4.350 -0.000 0.000 0.257 419 T C -2.892 171.788 174.700 -0.034 0.000 0.606 419 T CA -1.019 61.047 62.100 -0.056 0.000 0.973 419 T CB -0.059 68.769 68.868 -0.067 0.000 1.182 419 T HN 0.407 nan 8.240 nan 0.000 0.494 420 P HA 0.192 nan 4.420 nan 0.000 0.272 420 P C -2.210 175.090 177.300 -0.001 0.000 1.225 420 P CA -0.642 62.469 63.100 0.020 0.000 0.800 420 P CB -0.269 31.456 31.700 0.041 0.000 0.894 421 P HA 0.153 nan 4.420 nan 0.000 0.272 421 P C -0.875 176.459 177.300 0.056 0.000 1.254 421 P CA -0.100 63.021 63.100 0.035 0.000 0.795 421 P CB 0.458 32.167 31.700 0.015 0.000 1.022 422 L N 0.599 121.882 121.223 0.099 0.000 2.341 422 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 422 L C -0.605 176.338 176.870 0.121 0.000 1.005 422 L CA -0.884 54.021 54.840 0.108 0.000 0.818 422 L CB 1.833 43.954 42.059 0.103 0.000 1.259 422 L HN 0.050 nan 8.230 nan 0.000 0.418 423 V N 5.303 125.306 119.914 0.148 0.000 2.455 423 V HA 0.439 4.559 4.120 -0.000 0.000 0.273 423 V C -0.068 176.059 176.094 0.056 0.000 1.045 423 V CA -0.267 62.125 62.300 0.154 0.000 0.976 423 V CB 0.286 32.226 31.823 0.195 0.000 0.993 423 V HN 0.871 nan 8.190 nan 0.000 0.475 424 K N 4.324 124.697 120.400 -0.045 0.000 2.568 424 K HA 0.592 4.912 4.320 -0.000 0.000 0.273 424 K C -1.596 174.844 176.600 -0.267 0.000 0.951 424 K CA -1.068 55.098 56.287 -0.201 0.000 0.854 424 K CB 1.667 33.941 32.500 -0.378 0.000 1.424 424 K HN 0.346 nan 8.250 nan 0.000 0.427 425 L N 2.753 123.853 121.223 -0.206 0.000 2.342 425 L HA 0.216 4.556 4.340 -0.000 0.000 0.285 425 L C -0.042 176.749 176.870 -0.132 0.000 1.095 425 L CA -0.566 54.195 54.840 -0.131 0.000 0.843 425 L CB -0.153 41.833 42.059 -0.122 0.000 1.201 425 L HN 0.676 nan 8.230 nan 0.000 0.445 426 W N 3.780 125.124 121.300 0.073 0.000 2.848 426 W HA -0.026 4.634 4.660 -0.000 0.000 0.241 426 W C 0.150 176.857 176.519 0.313 0.000 1.289 426 W CA -0.005 57.452 57.345 0.186 0.000 1.396 426 W CB -0.459 29.146 29.460 0.241 0.000 1.138 426 W HN 0.528 nan 8.180 nan 0.000 0.677 427 Y N -2.728 117.685 120.300 0.189 0.000 2.575 427 Y HA 0.252 4.802 4.550 -0.000 0.000 0.346 427 Y C -1.291 174.662 175.900 0.089 0.000 1.260 427 Y CA -1.867 56.310 58.100 0.129 0.000 1.317 427 Y CB -0.001 38.544 38.460 0.141 0.000 1.352 427 Y HN -0.189 nan 8.280 nan 0.000 0.492 428 Q N 4.268 124.077 119.800 0.015 0.000 2.337 428 Q HA 0.584 4.924 4.340 -0.000 0.000 0.266 428 Q C -0.984 175.076 176.000 0.100 0.000 1.023 428 Q CA -1.129 54.642 55.803 -0.052 0.000 0.829 428 Q CB 3.257 31.974 28.738 -0.035 0.000 1.306 428 Q HN 0.812 nan 8.270 nan 0.000 0.449 429 L N 1.879 123.159 121.223 0.095 0.000 2.436 429 L HA 0.155 4.495 4.340 -0.000 0.000 0.265 429 L C 0.579 177.526 176.870 0.128 0.000 1.168 429 L CA -0.481 54.446 54.840 0.145 0.000 0.815 429 L CB 0.485 42.614 42.059 0.116 0.000 1.109 429 L HN 0.370 nan 8.230 nan 0.000 0.462 430 E N 2.054 122.366 120.200 0.186 0.000 2.324 430 E HA -0.007 4.343 4.350 -0.000 0.000 0.271 430 E C 0.393 177.195 176.600 0.336 0.000 1.028 430 E CA -0.096 56.438 56.400 0.224 0.000 0.890 430 E CB 1.023 30.860 29.700 0.229 0.000 1.004 430 E HN 0.355 nan 8.360 nan 0.000 0.431 431 K N 1.648 122.171 120.400 0.205 0.000 2.057 431 K HA -0.069 4.250 4.320 -0.000 0.000 0.206 431 K C 0.611 177.384 176.600 0.288 0.000 1.050 431 K CA 1.061 57.469 56.287 0.203 0.000 0.935 431 K CB 0.086 32.643 32.500 0.094 0.000 0.715 431 K HN 0.273 nan 8.250 nan 0.000 0.439 432 E N 0.178 120.439 120.200 0.103 0.000 2.207 432 E HA 0.257 4.607 4.350 -0.000 0.000 0.270 432 E C -2.486 173.778 176.600 -0.561 0.000 0.927 432 E CA -2.899 53.419 56.400 -0.136 0.000 0.799 432 E CB 1.220 30.864 29.700 -0.094 0.000 1.172 432 E HN -0.156 nan 8.360 nan 0.000 0.404 433 P HA -0.014 nan 4.420 nan 0.000 0.276 433 P C -0.452 176.598 177.300 -0.417 0.000 1.264 433 P CA 0.320 62.717 63.100 -1.170 0.000 0.815 433 P CB 0.574 31.798 31.700 -0.795 0.000 1.121 434 I N -0.365 120.069 120.570 -0.227 0.000 2.410 434 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 434 I C 0.232 176.307 176.117 -0.069 0.000 1.009 434 I CA -1.283 59.959 61.300 -0.096 0.000 1.111 434 I CB 1.667 39.653 38.000 -0.023 0.000 1.262 434 I HN 0.081 nan 8.210 nan 0.000 0.443 435 V N 3.747 123.624 119.914 -0.061 0.000 2.557 435 V HA 0.404 4.523 4.120 -0.000 0.000 0.301 435 V C 1.205 177.284 176.094 -0.025 0.000 1.026 435 V CA 0.709 62.984 62.300 -0.043 0.000 1.137 435 V CB -0.157 31.645 31.823 -0.036 0.000 0.917 435 V HN 1.166 nan 8.190 nan 0.000 0.484 436 G N 2.656 111.443 108.800 -0.022 0.000 2.299 436 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.237 436 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.237 436 G C 0.671 175.564 174.900 -0.012 0.000 1.027 436 G CA 0.050 45.141 45.100 -0.015 0.000 0.619 436 G HN 2.245 nan 8.290 nan 0.000 0.513 437 A N 0.811 123.626 122.820 -0.008 0.000 2.520 437 A HA 0.490 4.810 4.320 -0.000 0.000 0.245 437 A C 0.545 178.123 177.584 -0.011 0.000 1.072 437 A CA 1.008 53.047 52.037 0.004 0.000 0.761 437 A CB 0.112 19.125 19.000 0.023 0.000 1.004 437 A HN 0.803 nan 8.150 nan 0.000 0.499 438 E N 2.247 122.425 120.200 -0.036 0.000 2.406 438 E HA 0.095 4.445 4.350 -0.000 0.000 0.258 438 E C -0.314 176.193 176.600 -0.154 0.000 1.043 438 E CA 0.192 56.510 56.400 -0.138 0.000 0.929 438 E CB 0.244 29.797 29.700 -0.244 0.000 0.969 438 E HN 0.595 nan 8.360 nan 0.000 0.462 439 T N 5.093 119.585 114.554 -0.104 0.000 2.832 439 T HA 0.178 4.528 4.350 -0.000 0.000 0.296 439 T C -0.589 174.056 174.700 -0.091 0.000 0.968 439 T CA 0.002 62.086 62.100 -0.026 0.000 1.107 439 T CB 0.076 68.982 68.868 0.062 0.000 0.916 439 T HN 0.266 nan 8.240 nan 0.000 0.517 440 F N 3.163 123.102 119.950 -0.018 0.000 2.332 440 F HA 0.318 4.845 4.527 -0.000 0.000 0.368 440 F C -0.130 175.674 175.800 0.007 0.000 1.110 440 F CA -0.876 57.124 58.000 0.001 0.000 1.087 440 F CB 0.662 39.567 39.000 -0.158 0.000 1.235 440 F HN 0.563 nan 8.300 nan 0.000 0.470 441 Y N 3.774 124.205 120.300 0.217 0.000 2.594 441 Y HA 0.257 4.807 4.550 -0.000 0.000 0.344 441 Y C 0.378 176.418 175.900 0.232 0.000 1.185 441 Y CA -0.212 57.988 58.100 0.167 0.000 1.565 441 Y CB 0.195 38.718 38.460 0.104 0.000 1.415 441 Y HN 0.274 nan 8.280 nan 0.000 0.488 442 V N 3.688 123.752 119.914 0.251 0.000 2.686 442 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 442 V C -0.390 175.813 176.094 0.181 0.000 1.055 442 V CA 0.294 62.737 62.300 0.238 0.000 1.050 442 V CB 1.470 33.371 31.823 0.130 0.000 0.984 442 V HN 0.696 nan 8.190 nan 0.000 0.482 443 D N 2.462 122.969 120.400 0.178 0.000 2.663 443 D HA 0.713 5.353 4.640 -0.000 0.000 0.233 443 D C -0.687 175.686 176.300 0.122 0.000 1.240 443 D CA 0.575 54.657 54.000 0.136 0.000 0.774 443 D CB 2.077 42.957 40.800 0.133 0.000 1.443 443 D HN 0.985 nan 8.370 nan 0.000 0.441 444 G N 0.037 108.900 108.800 0.106 0.000 2.030 444 G HA2 0.677 4.637 3.960 -0.000 0.000 0.309 444 G HA3 0.677 4.637 3.960 -0.000 0.000 0.309 444 G C -1.303 173.652 174.900 0.092 0.000 1.668 444 G CA 0.153 45.311 45.100 0.096 0.000 0.926 444 G HN 0.544 nan 8.290 nan 0.000 0.652 445 A N 0.908 123.776 122.820 0.079 0.000 2.470 445 A HA 1.162 5.482 4.320 -0.000 0.000 0.271 445 A C 0.120 177.740 177.584 0.060 0.000 1.269 445 A CA -0.028 52.053 52.037 0.075 0.000 0.828 445 A CB 1.518 20.565 19.000 0.078 0.000 1.374 445 A HN 2.571 nan 8.150 nan 0.000 0.454 446 A N -0.509 122.343 122.820 0.053 0.000 2.588 446 A HA 0.658 4.978 4.320 -0.000 0.000 0.290 446 A C -1.334 176.271 177.584 0.036 0.000 1.136 446 A CA -0.543 51.519 52.037 0.042 0.000 0.681 446 A CB 0.897 19.920 19.000 0.038 0.000 1.282 446 A HN 0.793 nan 8.150 nan 0.000 0.421 447 N N 0.516 119.233 118.700 0.028 0.000 2.500 447 N HA 0.119 4.859 4.740 -0.000 0.000 0.236 447 N C 0.908 176.429 175.510 0.019 0.000 1.022 447 N CA -0.390 52.673 53.050 0.023 0.000 0.935 447 N CB 0.540 39.038 38.487 0.019 0.000 1.147 447 N HN 0.660 nan 8.380 nan 0.000 0.512 448 R N 1.709 122.220 120.500 0.019 0.000 2.178 448 R HA -0.201 4.139 4.340 -0.000 0.000 0.257 448 R C 0.863 177.169 176.300 0.011 0.000 1.163 448 R CA 1.402 57.511 56.100 0.014 0.000 0.981 448 R CB 0.097 30.406 30.300 0.014 0.000 0.878 448 R HN 0.610 nan 8.270 nan 0.000 0.454 449 E N 0.000 120.207 120.200 0.011 0.000 2.024 449 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 449 E C 2.211 178.817 176.600 0.009 0.000 0.974 449 E CA 1.729 58.134 56.400 0.009 0.000 0.810 449 E CB -0.540 29.165 29.700 0.008 0.000 0.775 449 E HN 0.416 nan 8.360 nan 0.000 0.453 450 T N 0.773 115.333 114.554 0.010 0.000 2.969 450 T HA -0.210 4.140 4.350 -0.000 0.000 0.271 450 T C 1.028 175.735 174.700 0.012 0.000 1.127 450 T CA 1.641 63.747 62.100 0.011 0.000 1.102 450 T CB -0.488 68.386 68.868 0.012 0.000 0.855 450 T HN 0.277 nan 8.240 nan 0.000 0.536 451 K N -0.239 120.169 120.400 0.012 0.000 3.016 451 K HA -0.169 4.151 4.320 -0.000 0.000 0.262 451 K C -0.525 176.085 176.600 0.016 0.000 1.043 451 K CA 1.188 57.482 56.287 0.013 0.000 0.761 451 K CB -2.920 29.587 32.500 0.010 0.000 1.230 451 K HN 0.611 nan 8.250 nan 0.000 0.485 452 L N -0.433 120.801 121.223 0.018 0.000 2.386 452 L HA 0.844 5.184 4.340 -0.000 0.000 0.271 452 L C 0.698 177.583 176.870 0.025 0.000 0.993 452 L CA -0.494 54.358 54.840 0.020 0.000 0.819 452 L CB 2.331 44.400 42.059 0.017 0.000 1.294 452 L HN 0.437 nan 8.230 nan 0.000 0.414 453 G N 1.869 110.686 108.800 0.029 0.000 2.782 453 G HA2 0.697 4.657 3.960 -0.000 0.000 0.304 453 G HA3 0.697 4.657 3.960 -0.000 0.000 0.304 453 G C -1.844 173.078 174.900 0.037 0.000 1.315 453 G CA -0.531 44.590 45.100 0.035 0.000 0.791 453 G HN 0.427 nan 8.290 nan 0.000 0.519 454 K N -0.953 119.473 120.400 0.043 0.000 2.557 454 K HA 0.637 4.957 4.320 -0.000 0.000 0.257 454 K C -1.219 175.415 176.600 0.057 0.000 0.933 454 K CA -0.659 55.654 56.287 0.043 0.000 0.820 454 K CB 2.615 35.134 32.500 0.031 0.000 1.330 454 K HN 0.819 nan 8.250 nan 0.000 0.432 455 A N 1.457 124.317 122.820 0.066 0.000 2.331 455 A HA 0.913 5.233 4.320 -0.000 0.000 0.320 455 A C -0.281 177.354 177.584 0.086 0.000 1.138 455 A CA -0.170 51.921 52.037 0.089 0.000 0.790 455 A CB 1.492 20.558 19.000 0.108 0.000 1.206 455 A HN 0.831 nan 8.150 nan 0.000 0.470 456 G N 0.037 108.898 108.800 0.101 0.000 2.793 456 G HA2 0.763 4.723 3.960 -0.000 0.000 0.248 456 G HA3 0.763 4.723 3.960 -0.000 0.000 0.248 456 G C -0.978 174.039 174.900 0.195 0.000 1.198 456 G CA 0.232 45.364 45.100 0.052 0.000 0.865 456 G HN 1.972 nan 8.290 nan 0.000 0.534 457 Y N -3.526 116.853 120.300 0.132 0.000 2.889 457 Y HA 0.624 5.174 4.550 -0.000 0.000 0.379 457 Y C -1.821 174.190 175.900 0.185 0.000 1.179 457 Y CA -1.449 56.771 58.100 0.200 0.000 1.178 457 Y CB 0.950 39.603 38.460 0.321 0.000 1.460 457 Y HN 0.738 nan 8.280 nan 0.000 0.472 458 V N 1.969 122.160 119.914 0.462 0.000 2.668 458 V HA 0.652 4.772 4.120 -0.000 0.000 0.304 458 V C -0.430 175.840 176.094 0.293 0.000 1.071 458 V CA -0.005 62.458 62.300 0.272 0.000 0.894 458 V CB 1.937 33.822 31.823 0.103 0.000 1.008 458 V HN 1.122 nan 8.190 nan 0.000 0.425 459 T N 0.376 115.017 114.554 0.145 0.000 2.952 459 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 459 T C 1.228 175.908 174.700 -0.032 0.000 1.024 459 T CA -0.063 62.016 62.100 -0.036 0.000 1.029 459 T CB 1.290 69.904 68.868 -0.424 0.000 1.094 459 T HN 0.763 nan 8.240 nan 0.000 0.515 460 N N 1.428 120.115 118.700 -0.020 0.000 2.011 460 N HA -0.259 4.481 4.740 -0.000 0.000 0.199 460 N C 1.044 176.524 175.510 -0.050 0.000 1.047 460 N CA 1.009 54.043 53.050 -0.027 0.000 0.863 460 N CB -0.561 37.924 38.487 -0.004 0.000 1.056 460 N HN 0.599 nan 8.380 nan 0.000 0.427 461 K N 0.974 121.334 120.400 -0.068 0.000 2.809 461 K HA -0.011 4.309 4.320 -0.000 0.000 0.224 461 K C 0.722 177.300 176.600 -0.038 0.000 0.946 461 K CA 0.411 56.666 56.287 -0.054 0.000 1.059 461 K CB -0.845 31.614 32.500 -0.067 0.000 0.877 461 K HN 0.556 nan 8.250 nan 0.000 0.478 462 G N 1.793 110.573 108.800 -0.034 0.000 2.321 462 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.287 462 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.287 462 G C -0.203 174.700 174.900 0.006 0.000 1.018 462 G CA 0.253 45.342 45.100 -0.018 0.000 0.855 462 G HN 0.420 nan 8.290 nan 0.000 0.507 463 R N -0.051 120.467 120.500 0.029 0.000 2.265 463 R HA 0.533 4.873 4.340 -0.000 0.000 0.319 463 R C 0.064 176.455 176.300 0.152 0.000 1.006 463 R CA -0.211 55.952 56.100 0.105 0.000 0.880 463 R CB 0.633 31.023 30.300 0.150 0.000 1.077 463 R HN 0.486 nan 8.270 nan 0.000 0.454 464 Q N 2.844 122.656 119.800 0.019 0.000 2.304 464 Q HA 0.329 4.669 4.340 -0.000 0.000 0.270 464 Q C -1.339 174.442 176.000 -0.365 0.000 1.035 464 Q CA -0.860 54.835 55.803 -0.179 0.000 0.781 464 Q CB 2.907 31.584 28.738 -0.101 0.000 1.261 464 Q HN 0.306 nan 8.270 nan 0.000 0.444 465 K N 1.093 120.976 120.400 -0.863 0.000 2.385 465 K HA 0.751 5.071 4.320 -0.000 0.000 0.248 465 K C -1.657 174.697 176.600 -0.410 0.000 0.955 465 K CA -0.722 55.218 56.287 -0.577 0.000 0.816 465 K CB 1.968 34.145 32.500 -0.538 0.000 1.250 465 K HN 0.386 nan 8.250 nan 0.000 0.434 466 V N 3.789 123.595 119.914 -0.180 0.000 2.577 466 V HA 0.333 4.453 4.120 -0.000 0.000 0.294 466 V C -1.237 174.837 176.094 -0.032 0.000 1.052 466 V CA -0.821 61.426 62.300 -0.087 0.000 0.891 466 V CB 1.837 33.622 31.823 -0.064 0.000 1.017 466 V HN 0.615 nan 8.190 nan 0.000 0.436 467 V N 7.633 127.549 119.914 0.003 0.000 2.581 467 V HA 0.610 4.730 4.120 -0.000 0.000 0.303 467 V C -2.260 173.852 176.094 0.030 0.000 1.041 467 V CA -1.873 60.441 62.300 0.024 0.000 0.907 467 V CB 2.624 34.476 31.823 0.048 0.000 0.994 467 V HN 0.702 nan 8.190 nan 0.000 0.442 468 P HA 0.541 nan 4.420 nan 0.000 0.296 468 P C -1.540 175.779 177.300 0.032 0.000 1.306 468 P CA -0.443 62.673 63.100 0.027 0.000 0.818 468 P CB 1.563 33.275 31.700 0.019 0.000 0.969 469 L N 2.620 123.863 121.223 0.033 0.000 2.365 469 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 469 L C 0.596 177.481 176.870 0.026 0.000 1.000 469 L CA -0.553 54.307 54.840 0.033 0.000 0.819 469 L CB 2.266 44.349 42.059 0.040 0.000 1.284 469 L HN 0.357 nan 8.230 nan 0.000 0.418 470 T N -0.706 113.862 114.554 0.022 0.000 2.791 470 T HA 0.488 4.838 4.350 -0.000 0.000 0.288 470 T C -0.058 174.651 174.700 0.016 0.000 0.999 470 T CA -0.624 61.487 62.100 0.018 0.000 0.952 470 T CB 0.883 69.760 68.868 0.015 0.000 0.938 470 T HN 0.719 nan 8.240 nan 0.000 0.444 471 N N 1.211 119.920 118.700 0.015 0.000 3.053 471 N HA -0.152 4.588 4.740 -0.000 0.000 0.252 471 N C -0.471 175.048 175.510 0.015 0.000 1.092 471 N CA 1.178 54.236 53.050 0.013 0.000 0.668 471 N CB -1.321 37.172 38.487 0.010 0.000 1.009 471 N HN 1.338 nan 8.380 nan 0.000 0.572 472 T N -2.692 111.873 114.554 0.018 0.000 2.792 472 T HA 0.695 5.045 4.350 -0.000 0.000 0.303 472 T C -0.425 174.289 174.700 0.022 0.000 1.310 472 T CA -0.087 62.026 62.100 0.022 0.000 1.007 472 T CB 2.042 70.928 68.868 0.031 0.000 1.335 472 T HN 0.335 nan 8.240 nan 0.000 0.504 473 T N -0.169 114.398 114.554 0.023 0.000 2.940 473 T HA 0.380 4.730 4.350 -0.000 0.000 0.288 473 T C 1.338 176.056 174.700 0.030 0.000 1.033 473 T CA -0.682 61.427 62.100 0.016 0.000 1.033 473 T CB 1.163 70.027 68.868 -0.007 0.000 1.079 473 T HN 0.642 nan 8.240 nan 0.000 0.496 474 N N 1.174 119.890 118.700 0.027 0.000 2.096 474 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 474 N C 1.744 177.295 175.510 0.068 0.000 1.017 474 N CA 1.889 54.968 53.050 0.047 0.000 0.870 474 N CB -0.002 38.508 38.487 0.039 0.000 1.024 474 N HN 0.648 nan 8.380 nan 0.000 0.434 475 Q N 0.737 120.548 119.800 0.018 0.000 1.993 475 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 475 Q C 2.017 178.131 176.000 0.191 0.000 0.984 475 Q CA 1.250 57.086 55.803 0.055 0.000 0.837 475 Q CB -0.084 28.492 28.738 -0.271 0.000 0.902 475 Q HN 0.328 nan 8.270 nan 0.000 0.423 476 K N -0.009 120.458 120.400 0.111 0.000 2.074 476 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 476 K C 2.323 178.987 176.600 0.108 0.000 1.048 476 K CA 1.894 58.247 56.287 0.111 0.000 0.926 476 K CB -0.286 32.252 32.500 0.063 0.000 0.713 476 K HN 0.403 nan 8.250 nan 0.000 0.444 477 T N -1.258 113.355 114.554 0.099 0.000 2.857 477 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 477 T C 1.666 176.436 174.700 0.118 0.000 1.048 477 T CA 0.953 63.112 62.100 0.098 0.000 1.139 477 T CB -0.199 68.719 68.868 0.083 0.000 0.874 477 T HN 0.229 nan 8.240 nan 0.000 0.455 478 E N 1.040 121.325 120.200 0.141 0.000 2.219 478 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 478 E C 1.997 178.669 176.600 0.121 0.000 0.998 478 E CA 1.085 57.573 56.400 0.148 0.000 0.818 478 E CB -0.328 29.494 29.700 0.203 0.000 0.741 478 E HN 0.546 nan 8.360 nan 0.000 0.477 479 L N -0.327 120.968 121.223 0.120 0.000 2.253 479 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 479 L C 2.451 179.385 176.870 0.107 0.000 1.078 479 L CA 0.217 55.104 54.840 0.078 0.000 0.805 479 L CB -0.110 41.982 42.059 0.056 0.000 0.963 479 L HN 0.035 nan 8.230 nan 0.000 0.459 480 Q N 1.004 120.871 119.800 0.112 0.000 2.112 480 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 480 Q C 2.154 178.264 176.000 0.183 0.000 0.987 480 Q CA 2.358 58.247 55.803 0.142 0.000 0.858 480 Q CB -0.265 28.539 28.738 0.110 0.000 0.905 480 Q HN 0.460 nan 8.270 nan 0.000 0.420 481 A N 0.265 123.169 122.820 0.138 0.000 1.828 481 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 481 A C 2.133 179.768 177.584 0.086 0.000 1.203 481 A CA 1.589 53.704 52.037 0.130 0.000 0.614 481 A CB -1.075 18.002 19.000 0.128 0.000 0.844 481 A HN 0.454 nan 8.150 nan 0.000 0.445 482 I N -1.561 119.048 120.570 0.066 0.000 2.121 482 I HA -0.387 3.783 4.170 -0.000 0.000 0.243 482 I C 2.497 178.601 176.117 -0.022 0.000 1.047 482 I CA 2.560 63.864 61.300 0.006 0.000 1.308 482 I CB -0.700 37.309 38.000 0.014 0.000 1.015 482 I HN 0.610 nan 8.210 nan 0.000 0.410 483 Y N 1.482 121.736 120.300 -0.077 0.000 2.014 483 Y HA -0.361 4.189 4.550 -0.000 0.000 0.272 483 Y C 2.399 178.226 175.900 -0.123 0.000 1.164 483 Y CA 1.977 60.024 58.100 -0.090 0.000 1.114 483 Y CB -0.926 37.505 38.460 -0.049 0.000 0.961 483 Y HN 0.050 nan 8.280 nan 0.000 0.489 484 L N 0.842 121.954 121.223 -0.185 0.000 1.997 484 L HA -0.341 3.999 4.340 -0.000 0.000 0.227 484 L C 2.623 179.220 176.870 -0.455 0.000 1.087 484 L CA 2.737 57.421 54.840 -0.260 0.000 0.797 484 L CB -1.710 40.371 42.059 0.037 0.000 0.902 484 L HN 0.431 nan 8.230 nan 0.000 0.441 485 A N -0.994 121.515 122.820 -0.518 0.000 1.927 485 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 485 A C 2.251 179.217 177.584 -1.030 0.000 1.185 485 A CA 2.414 53.781 52.037 -1.116 0.000 0.639 485 A CB -1.022 17.531 19.000 -0.744 0.000 0.820 485 A HN 0.579 nan 8.150 nan 0.000 0.451 486 L N -1.304 119.570 121.223 -0.582 0.000 2.027 486 L HA -0.238 4.102 4.340 -0.000 0.000 0.206 486 L C 2.894 179.516 176.870 -0.413 0.000 1.074 486 L CA 1.541 56.132 54.840 -0.415 0.000 0.745 486 L CB -0.944 40.954 42.059 -0.269 0.000 0.898 486 L HN 0.484 nan 8.230 nan 0.000 0.433 487 Q N 0.502 119.993 119.800 -0.515 0.000 1.998 487 Q HA -0.271 4.069 4.340 -0.000 0.000 0.209 487 Q C 1.919 177.757 176.000 -0.271 0.000 1.002 487 Q CA 2.296 57.851 55.803 -0.413 0.000 0.858 487 Q CB -0.318 28.125 28.738 -0.492 0.000 0.932 487 Q HN 0.506 nan 8.270 nan 0.000 0.416 488 D N 0.722 120.943 120.400 -0.300 0.000 2.144 488 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 488 D C 1.021 177.289 176.300 -0.052 0.000 0.984 488 D CA 0.956 54.871 54.000 -0.142 0.000 0.834 488 D CB -0.327 40.426 40.800 -0.079 0.000 0.955 488 D HN 0.215 nan 8.370 nan 0.000 0.465 489 S N -0.255 115.336 115.700 -0.183 0.000 2.572 489 S HA 0.341 4.811 4.470 -0.000 0.000 0.267 489 S C 0.981 175.607 174.600 0.043 0.000 1.361 489 S CA -0.244 58.019 58.200 0.104 0.000 1.009 489 S CB 1.053 64.283 63.200 0.050 0.000 0.888 489 S HN 0.172 nan 8.310 nan 0.000 0.553 490 G N -0.018 108.830 108.800 0.081 0.000 2.504 490 G HA2 0.404 4.364 3.960 -0.000 0.000 0.257 490 G HA3 0.404 4.364 3.960 -0.000 0.000 0.257 490 G C 0.374 175.288 174.900 0.024 0.000 1.451 490 G CA -0.605 44.519 45.100 0.040 0.000 1.059 490 G HN 0.657 nan 8.290 nan 0.000 0.550 491 L N -0.341 120.896 121.223 0.023 0.000 2.610 491 L HA 0.296 4.636 4.340 -0.000 0.000 0.232 491 L C 0.925 177.813 176.870 0.031 0.000 1.149 491 L CA 0.889 55.742 54.840 0.021 0.000 0.872 491 L CB -0.567 41.505 42.059 0.022 0.000 0.992 491 L HN 0.333 nan 8.230 nan 0.000 0.447 492 E N -0.564 119.660 120.200 0.040 0.000 2.275 492 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 492 E C -1.520 175.121 176.600 0.069 0.000 0.882 492 E CA -0.351 56.079 56.400 0.049 0.000 0.758 492 E CB 3.314 33.038 29.700 0.039 0.000 1.195 492 E HN -0.159 nan 8.360 nan 0.000 0.419 493 V N 2.961 122.925 119.914 0.084 0.000 3.120 493 V HA 0.455 4.575 4.120 -0.000 0.000 0.303 493 V C -1.886 174.293 176.094 0.143 0.000 1.238 493 V CA -0.670 61.705 62.300 0.125 0.000 1.008 493 V CB 2.612 34.516 31.823 0.135 0.000 1.064 493 V HN 0.635 nan 8.190 nan 0.000 0.434 494 N N 4.240 123.037 118.700 0.161 0.000 2.372 494 N HA 0.746 5.486 4.740 -0.000 0.000 0.285 494 N C -1.209 174.391 175.510 0.150 0.000 1.008 494 N CA -0.244 52.908 53.050 0.170 0.000 0.880 494 N CB 1.620 40.174 38.487 0.111 0.000 1.239 494 N HN 0.616 nan 8.380 nan 0.000 0.484 495 I N 1.181 121.815 120.570 0.107 0.000 2.498 495 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 495 I C -0.701 175.385 176.117 -0.052 0.000 1.032 495 I CA -1.144 60.179 61.300 0.038 0.000 1.073 495 I CB 2.093 40.101 38.000 0.014 0.000 1.251 495 I HN 0.018 nan 8.210 nan 0.000 0.426 496 V N 4.994 124.814 119.914 -0.156 0.000 2.347 496 V HA 0.405 4.525 4.120 -0.000 0.000 0.280 496 V C 0.099 176.127 176.094 -0.110 0.000 1.021 496 V CA -0.176 61.991 62.300 -0.223 0.000 0.847 496 V CB 1.902 33.383 31.823 -0.571 0.000 0.990 496 V HN 0.891 nan 8.190 nan 0.000 0.444 497 T N 0.833 115.357 114.554 -0.050 0.000 2.855 497 T HA 0.379 4.729 4.350 -0.000 0.000 0.281 497 T C 0.552 175.251 174.700 -0.001 0.000 1.007 497 T CA -0.606 61.507 62.100 0.021 0.000 1.009 497 T CB 1.730 70.643 68.868 0.075 0.000 0.983 497 T HN 0.701 nan 8.240 nan 0.000 0.455 498 D N 0.366 120.783 120.400 0.029 0.000 2.354 498 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 498 D C 0.648 177.059 176.300 0.185 0.000 1.015 498 D CA -0.169 53.815 54.000 -0.027 0.000 0.867 498 D CB 0.040 40.840 40.800 -0.000 0.000 0.933 498 D HN 0.530 nan 8.370 nan 0.000 0.520 499 S N -0.245 115.630 115.700 0.293 0.000 2.474 499 S HA 0.256 4.726 4.470 -0.000 0.000 0.321 499 S C 0.836 175.619 174.600 0.304 0.000 1.080 499 S CA -0.675 57.734 58.200 0.349 0.000 1.106 499 S CB 2.148 65.493 63.200 0.242 0.000 0.984 499 S HN -0.048 nan 8.310 nan 0.000 0.464 500 Q N 1.934 121.832 119.800 0.163 0.000 2.096 500 Q HA -0.163 4.176 4.340 -0.000 0.000 0.204 500 Q C 1.336 177.288 176.000 -0.081 0.000 0.982 500 Q CA 2.033 57.679 55.803 -0.262 0.000 0.850 500 Q CB -0.501 27.976 28.738 -0.434 0.000 0.901 500 Q HN 0.934 nan 8.270 nan 0.000 0.422 501 Y N 1.294 121.571 120.300 -0.038 0.000 2.014 501 Y HA -0.357 4.193 4.550 -0.000 0.000 0.272 501 Y C 2.286 178.178 175.900 -0.012 0.000 1.164 501 Y CA 1.694 59.785 58.100 -0.016 0.000 1.114 501 Y CB -0.904 37.568 38.460 0.020 0.000 0.961 501 Y HN 0.085 nan 8.280 nan 0.000 0.489 502 A N 0.332 122.978 122.820 -0.290 0.000 1.908 502 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 502 A C 2.252 179.697 177.584 -0.232 0.000 1.181 502 A CA 1.754 53.600 52.037 -0.319 0.000 0.627 502 A CB -1.385 17.581 19.000 -0.057 0.000 0.818 502 A HN 0.605 nan 8.150 nan 0.000 0.445 503 L N 0.023 121.174 121.223 -0.121 0.000 1.924 503 L HA -0.111 4.229 4.340 -0.000 0.000 0.222 503 L C 2.506 179.286 176.870 -0.151 0.000 1.081 503 L CA 2.823 57.602 54.840 -0.102 0.000 0.780 503 L CB -1.387 40.601 42.059 -0.118 0.000 0.891 503 L HN 0.329 nan 8.230 nan 0.000 0.434 504 G N 0.103 108.800 108.800 -0.173 0.000 2.574 504 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 504 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 504 G C 1.571 176.370 174.900 -0.169 0.000 1.173 504 G CA 1.350 46.369 45.100 -0.135 0.000 0.772 504 G HN 0.461 nan 8.290 nan 0.000 0.585 505 I N 0.914 121.283 120.570 -0.335 0.000 2.113 505 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 505 I C 2.784 178.722 176.117 -0.299 0.000 1.057 505 I CA 1.215 62.216 61.300 -0.498 0.000 1.314 505 I CB -1.124 36.444 38.000 -0.719 0.000 1.022 505 I HN 0.124 nan 8.210 nan 0.000 0.408 506 I N -0.115 120.340 120.570 -0.192 0.000 2.333 506 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 506 I C 2.599 178.735 176.117 0.031 0.000 1.106 506 I CA 0.982 62.254 61.300 -0.047 0.000 1.411 506 I CB -0.749 37.231 38.000 -0.033 0.000 1.082 506 I HN 0.280 nan 8.210 nan 0.000 0.420 507 Q N 0.908 120.703 119.800 -0.008 0.000 2.197 507 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 507 Q C 2.081 178.123 176.000 0.070 0.000 0.984 507 Q CA 1.780 57.597 55.803 0.023 0.000 0.869 507 Q CB -0.123 28.610 28.738 -0.008 0.000 0.906 507 Q HN 0.573 nan 8.270 nan 0.000 0.426 508 A N -0.062 122.810 122.820 0.086 0.000 2.206 508 A HA -0.096 4.224 4.320 -0.000 0.000 0.211 508 A C 0.472 178.127 177.584 0.119 0.000 1.158 508 A CA 0.721 52.848 52.037 0.150 0.000 0.761 508 A CB -0.093 19.012 19.000 0.175 0.000 0.801 508 A HN 0.596 nan 8.150 nan 0.000 0.473 509 Q N -1.839 118.024 119.800 0.105 0.000 2.475 509 Q HA -0.140 4.200 4.340 -0.000 0.000 0.280 509 Q C -2.102 174.001 176.000 0.171 0.000 1.234 509 Q CA 0.372 56.238 55.803 0.106 0.000 0.873 509 Q CB -2.132 26.515 28.738 -0.152 0.000 1.256 509 Q HN 0.548 nan 8.270 nan 0.000 0.475 510 P HA -0.123 nan 4.420 nan 0.000 0.266 510 P C 0.188 177.631 177.300 0.239 0.000 1.180 510 P CA 1.051 64.262 63.100 0.186 0.000 0.765 510 P CB 0.405 32.212 31.700 0.178 0.000 0.806 511 D N 0.396 120.926 120.400 0.216 0.000 2.389 511 D HA 0.095 4.735 4.640 -0.000 0.000 0.206 511 D C 0.322 176.699 176.300 0.129 0.000 1.055 511 D CA 0.605 54.744 54.000 0.232 0.000 0.856 511 D CB 0.313 41.285 40.800 0.287 0.000 0.957 511 D HN 0.242 nan 8.370 nan 0.000 0.509 512 K N -1.095 119.382 120.400 0.129 0.000 2.658 512 K HA 0.574 4.894 4.320 -0.000 0.000 0.293 512 K C -1.622 175.044 176.600 0.110 0.000 1.026 512 K CA -0.881 55.458 56.287 0.085 0.000 0.871 512 K CB 2.299 34.828 32.500 0.050 0.000 1.524 512 K HN -0.072 nan 8.250 nan 0.000 0.400 513 S N 0.949 116.687 115.700 0.064 0.000 2.674 513 S HA -0.019 4.451 4.470 -0.000 0.000 0.321 513 S C -0.142 174.461 174.600 0.005 0.000 0.934 513 S CA -0.440 57.780 58.200 0.032 0.000 0.827 513 S CB 0.692 63.911 63.200 0.032 0.000 1.041 513 S HN 0.692 nan 8.310 nan 0.000 0.470 514 E N 2.409 122.600 120.200 -0.015 0.000 2.501 514 E HA -0.053 4.297 4.350 -0.000 0.000 0.203 514 E C 0.706 177.292 176.600 -0.023 0.000 1.072 514 E CA 0.816 57.202 56.400 -0.024 0.000 0.885 514 E CB -0.401 29.282 29.700 -0.028 0.000 0.813 514 E HN 0.454 nan 8.360 nan 0.000 0.556 515 S N 1.197 116.888 115.700 -0.015 0.000 4.120 515 S HA 0.022 4.492 4.470 -0.000 0.000 0.215 515 S C 1.014 175.606 174.600 -0.012 0.000 1.347 515 S CA 0.173 58.371 58.200 -0.004 0.000 0.889 515 S CB -0.435 62.779 63.200 0.023 0.000 1.585 515 S HN 0.361 nan 8.310 nan 0.000 0.447 516 E N 1.680 121.859 120.200 -0.035 0.000 2.433 516 E HA -0.282 4.068 4.350 -0.000 0.000 0.231 516 E C 1.406 177.941 176.600 -0.108 0.000 1.133 516 E CA 1.903 58.264 56.400 -0.065 0.000 0.922 516 E CB -0.244 29.417 29.700 -0.064 0.000 0.773 516 E HN 0.735 nan 8.360 nan 0.000 0.460 517 L N -0.558 120.607 121.223 -0.096 0.000 1.973 517 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 517 L C 2.334 179.118 176.870 -0.144 0.000 1.073 517 L CA 1.614 56.358 54.840 -0.160 0.000 0.746 517 L CB -0.707 41.303 42.059 -0.081 0.000 0.891 517 L HN 0.108 nan 8.230 nan 0.000 0.433 518 V N 0.735 120.626 119.914 -0.037 0.000 2.453 518 V HA -0.333 3.787 4.120 -0.000 0.000 0.252 518 V C 2.430 178.501 176.094 -0.038 0.000 1.068 518 V CA 1.900 64.195 62.300 -0.008 0.000 1.070 518 V CB -1.120 30.767 31.823 0.105 0.000 0.664 518 V HN 0.527 nan 8.190 nan 0.000 0.461 519 N N 0.080 118.750 118.700 -0.050 0.000 2.058 519 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 519 N C 1.974 177.428 175.510 -0.094 0.000 1.037 519 N CA 1.680 54.691 53.050 -0.065 0.000 0.848 519 N CB -0.319 38.128 38.487 -0.067 0.000 1.021 519 N HN 0.609 nan 8.380 nan 0.000 0.422 520 Q N 0.587 120.296 119.800 -0.151 0.000 2.045 520 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 520 Q C 2.297 178.279 176.000 -0.030 0.000 0.991 520 Q CA 1.151 56.849 55.803 -0.174 0.000 0.851 520 Q CB -0.190 28.207 28.738 -0.568 0.000 0.911 520 Q HN 0.408 nan 8.270 nan 0.000 0.418 521 I N 0.529 121.061 120.570 -0.063 0.000 2.127 521 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 521 I C 2.311 178.396 176.117 -0.052 0.000 1.075 521 I CA 1.185 62.524 61.300 0.065 0.000 1.334 521 I CB -0.332 37.676 38.000 0.014 0.000 1.040 521 I HN 0.226 nan 8.210 nan 0.000 0.405 522 I N 0.561 121.072 120.570 -0.098 0.000 2.151 522 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 522 I C 2.537 178.535 176.117 -0.198 0.000 1.080 522 I CA 1.514 62.708 61.300 -0.177 0.000 1.339 522 I CB -0.550 37.401 38.000 -0.081 0.000 1.039 522 I HN 0.302 nan 8.210 nan 0.000 0.409 523 E N 0.331 120.460 120.200 -0.118 0.000 2.153 523 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 523 E C 2.135 178.687 176.600 -0.080 0.000 0.988 523 E CA 0.952 57.290 56.400 -0.103 0.000 0.811 523 E CB -0.229 29.430 29.700 -0.069 0.000 0.746 523 E HN 0.540 nan 8.360 nan 0.000 0.466 524 Q N 0.495 120.265 119.800 -0.051 0.000 2.123 524 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 524 Q C 2.452 178.385 176.000 -0.112 0.000 0.966 524 Q CA 0.515 56.289 55.803 -0.049 0.000 0.845 524 Q CB -0.109 28.628 28.738 -0.003 0.000 0.907 524 Q HN 0.352 nan 8.270 nan 0.000 0.439 525 L N 0.038 121.132 121.223 -0.214 0.000 2.046 525 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 525 L C 2.348 179.083 176.870 -0.225 0.000 1.077 525 L CA 0.954 55.599 54.840 -0.326 0.000 0.747 525 L CB -0.406 41.186 42.059 -0.777 0.000 0.896 525 L HN 0.191 nan 8.230 nan 0.000 0.432 526 I N -0.294 120.159 120.570 -0.195 0.000 2.286 526 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 526 I C 2.624 178.776 176.117 0.058 0.000 1.115 526 I CA 1.273 62.595 61.300 0.036 0.000 1.392 526 I CB -0.221 37.823 38.000 0.073 0.000 1.065 526 I HN 0.232 nan 8.210 nan 0.000 0.418 527 K N 0.992 121.395 120.400 0.004 0.000 2.025 527 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 527 K C 0.824 177.440 176.600 0.025 0.000 1.049 527 K CA 0.887 57.185 56.287 0.018 0.000 0.933 527 K CB 0.221 32.717 32.500 -0.006 0.000 0.714 527 K HN -0.017 nan 8.250 nan 0.000 0.438 528 K N 0.870 121.276 120.400 0.010 0.000 2.285 528 K HA -0.086 4.234 4.320 -0.000 0.000 0.255 528 K C 0.758 177.389 176.600 0.052 0.000 1.000 528 K CA 0.594 56.894 56.287 0.022 0.000 0.887 528 K CB 0.626 33.132 32.500 0.009 0.000 0.997 528 K HN 0.107 nan 8.250 nan 0.000 0.510 529 E N 0.242 120.473 120.200 0.051 0.000 2.413 529 E HA 0.079 4.429 4.350 -0.000 0.000 0.203 529 E C -0.676 175.965 176.600 0.068 0.000 0.957 529 E CA 0.535 56.971 56.400 0.060 0.000 0.950 529 E CB 0.547 30.275 29.700 0.046 0.000 0.957 529 E HN 0.279 nan 8.360 nan 0.000 0.497 530 K N 0.258 120.700 120.400 0.069 0.000 2.690 530 K HA 0.323 4.643 4.320 -0.000 0.000 0.264 530 K C -1.759 174.898 176.600 0.095 0.000 1.040 530 K CA -0.341 55.995 56.287 0.082 0.000 0.946 530 K CB 2.365 34.902 32.500 0.062 0.000 1.268 530 K HN -0.194 nan 8.250 nan 0.000 0.473 531 V N 2.935 122.922 119.914 0.122 0.000 2.604 531 V HA 0.454 4.574 4.120 -0.000 0.000 0.305 531 V C -1.259 174.951 176.094 0.193 0.000 1.043 531 V CA -0.909 61.468 62.300 0.128 0.000 0.888 531 V CB 1.680 33.554 31.823 0.086 0.000 0.995 531 V HN 0.700 nan 8.190 nan 0.000 0.429 532 Y N 4.911 125.234 120.300 0.038 0.000 2.322 532 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 532 Y C -1.149 174.766 175.900 0.025 0.000 1.027 532 Y CA -0.602 57.519 58.100 0.035 0.000 1.179 532 Y CB 1.349 39.824 38.460 0.026 0.000 1.136 532 Y HN 0.556 nan 8.280 nan 0.000 0.449 533 L N 5.943 126.973 121.223 -0.321 0.000 2.309 533 L HA 0.922 5.262 4.340 -0.000 0.000 0.282 533 L C -0.421 176.148 176.870 -0.501 0.000 1.036 533 L CA -0.904 53.784 54.840 -0.252 0.000 0.806 533 L CB 1.654 43.635 42.059 -0.129 0.000 1.220 533 L HN 0.784 nan 8.230 nan 0.000 0.429 534 A N 2.466 125.110 122.820 -0.293 0.000 2.422 534 A HA 0.508 4.828 4.320 -0.000 0.000 0.302 534 A C -1.916 175.666 177.584 -0.004 0.000 1.041 534 A CA -0.437 51.470 52.037 -0.216 0.000 0.708 534 A CB 1.115 20.061 19.000 -0.090 0.000 1.257 534 A HN 0.723 nan 8.150 nan 0.000 0.414 535 W N 2.860 124.094 121.300 -0.111 0.000 2.417 535 W HA 0.614 5.274 4.660 -0.000 0.000 0.317 535 W C -1.273 175.228 176.519 -0.030 0.000 1.121 535 W CA -0.132 57.174 57.345 -0.065 0.000 1.208 535 W CB 1.393 30.816 29.460 -0.061 0.000 1.253 535 W HN 0.509 nan 8.180 nan 0.000 0.533 536 V N 7.801 127.041 119.914 -1.122 0.000 2.760 536 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 536 V C -2.033 173.250 176.094 -1.351 0.000 1.077 536 V CA -2.274 59.407 62.300 -1.033 0.000 0.910 536 V CB 2.039 33.605 31.823 -0.430 0.000 1.008 536 V HN 0.459 nan 8.190 nan 0.000 0.424 537 P HA 0.046 nan 4.420 nan 0.000 0.264 537 P C 0.297 177.415 177.300 -0.303 0.000 1.179 537 P CA 0.679 63.418 63.100 -0.601 0.000 0.763 537 P CB 0.634 32.155 31.700 -0.299 0.000 0.806 538 A N 4.180 126.907 122.820 -0.155 0.000 2.582 538 A HA -0.138 4.182 4.320 -0.000 0.000 0.183 538 A C 1.625 179.188 177.584 -0.035 0.000 1.414 538 A CA 1.259 53.225 52.037 -0.118 0.000 0.708 538 A CB -1.773 17.102 19.000 -0.208 0.000 1.020 538 A HN 0.710 nan 8.150 nan 0.000 0.517 539 H N 0.564 119.649 119.070 0.024 0.000 2.606 539 H HA -0.303 4.253 4.556 -0.000 0.000 0.269 539 H C 2.178 177.508 175.328 0.004 0.000 1.064 539 H CA 2.344 58.403 56.048 0.019 0.000 1.239 539 H CB -0.336 29.442 29.762 0.026 0.000 1.632 539 H HN 0.667 nan 8.280 nan 0.000 0.789 540 K N 1.154 121.648 120.400 0.158 0.000 2.020 540 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 540 K C 2.370 178.986 176.600 0.026 0.000 1.050 540 K CA 1.416 57.745 56.287 0.070 0.000 0.929 540 K CB -1.007 31.526 32.500 0.055 0.000 0.714 540 K HN 0.422 nan 8.250 nan 0.000 0.443 541 G N 2.277 111.071 108.800 -0.010 0.000 3.665 541 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.251 541 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.251 541 G C 0.830 175.712 174.900 -0.031 0.000 0.940 541 G CA 1.599 46.662 45.100 -0.062 0.000 0.741 541 G HN 0.490 nan 8.290 nan 0.000 1.302 542 I N -0.902 119.662 120.570 -0.011 0.000 3.237 542 I HA 0.700 4.870 4.170 -0.000 0.000 0.308 542 I C 0.756 176.885 176.117 0.020 0.000 1.093 542 I CA -0.365 60.944 61.300 0.015 0.000 1.001 542 I CB 1.871 39.906 38.000 0.058 0.000 1.245 542 I HN 0.490 nan 8.210 nan 0.000 0.485 543 G N 0.000 108.805 108.800 0.009 0.000 5.446 543 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 543 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 543 G CA 0.000 45.101 45.100 0.002 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925