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 3is9_1_B 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 RWGLXXXXXX XXXXXXFLWM 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 PLVKLWYQ 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 0.000 177.335 177.300 0.059 0.000 1.155 1 P CA 0.000 63.126 63.100 0.042 0.000 0.800 1 P CB 0.000 31.712 31.700 0.020 0.000 0.726 2 I N 0.578 121.202 120.570 0.089 0.000 2.330 2 I HA 0.708 4.879 4.170 0.001 0.000 0.289 2 I C -0.657 175.544 176.117 0.139 0.000 1.001 2 I CA -0.468 60.903 61.300 0.119 0.000 1.193 2 I CB 1.343 39.440 38.000 0.163 0.000 1.345 2 I HN 0.063 nan 8.210 nan 0.000 0.461 3 S N 7.578 123.351 115.700 0.123 0.000 2.392 3 S HA 0.512 4.983 4.470 0.001 0.000 0.246 3 S C -2.842 171.822 174.600 0.108 0.000 0.999 3 S CA -0.812 57.466 58.200 0.130 0.000 1.059 3 S CB 0.462 63.729 63.200 0.112 0.000 1.194 3 S HN 0.480 nan 8.310 nan 0.000 0.421 4 P HA 0.093 nan 4.420 nan 0.000 0.256 4 P C 0.977 178.325 177.300 0.079 0.000 1.173 4 P CA 0.025 63.180 63.100 0.092 0.000 0.768 4 P CB 0.211 31.972 31.700 0.102 0.000 0.758 5 I N 1.974 122.581 120.570 0.062 0.000 3.102 5 I HA -0.170 4.001 4.170 0.001 0.000 0.278 5 I C 0.647 176.795 176.117 0.052 0.000 1.316 5 I CA 1.326 62.657 61.300 0.052 0.000 1.425 5 I CB 0.097 38.121 38.000 0.041 0.000 1.073 5 I HN 0.429 nan 8.210 nan 0.000 0.503 6 E N -0.530 119.705 120.200 0.058 0.000 2.431 6 E HA 0.390 4.741 4.350 0.001 0.000 0.268 6 E C -0.639 176.004 176.600 0.071 0.000 0.953 6 E CA -0.680 55.754 56.400 0.057 0.000 0.810 6 E CB 1.773 31.503 29.700 0.048 0.000 1.369 6 E HN 0.090 nan 8.360 nan 0.000 0.440 7 T N -2.228 112.367 114.554 0.069 0.000 2.886 7 T HA 0.464 4.814 4.350 0.001 0.000 0.292 7 T C -0.494 174.252 174.700 0.077 0.000 1.012 7 T CA -0.769 61.381 62.100 0.083 0.000 0.982 7 T CB 1.024 69.941 68.868 0.082 0.000 1.018 7 T HN 0.137 nan 8.240 nan 0.000 0.451 8 V N 4.617 124.587 119.914 0.094 0.000 2.555 8 V HA 0.320 4.441 4.120 0.001 0.000 0.286 8 V C -2.021 174.113 176.094 0.067 0.000 1.044 8 V CA -1.623 60.726 62.300 0.082 0.000 1.026 8 V CB 0.470 32.362 31.823 0.114 0.000 0.981 8 V HN 0.809 nan 8.190 nan 0.000 0.480 9 P HA 0.187 nan 4.420 nan 0.000 0.264 9 P C -0.891 176.392 177.300 -0.028 0.000 1.193 9 P CA 0.346 63.454 63.100 0.013 0.000 0.763 9 P CB 0.464 32.164 31.700 -0.001 0.000 0.810 10 V N 4.515 124.423 119.914 -0.010 0.000 2.888 10 V HA 0.529 4.650 4.120 0.001 0.000 0.309 10 V C -0.214 175.914 176.094 0.057 0.000 1.114 10 V CA -0.676 61.565 62.300 -0.098 0.000 0.940 10 V CB 2.545 34.237 31.823 -0.219 0.000 1.021 10 V HN 0.409 nan 8.190 nan 0.000 0.426 11 K N 2.491 122.950 120.400 0.100 0.000 2.430 11 K HA 0.697 5.018 4.320 0.001 0.000 0.268 11 K C -1.011 175.874 176.600 0.475 0.000 1.043 11 K CA -0.773 55.735 56.287 0.368 0.000 0.899 11 K CB 2.254 34.865 32.500 0.185 0.000 1.472 11 K HN 0.435 nan 8.250 nan 0.000 0.451 12 L N 0.907 122.384 121.223 0.423 0.000 2.469 12 L HA 0.380 4.721 4.340 0.001 0.000 0.253 12 L C 0.762 177.705 176.870 0.120 0.000 1.143 12 L CA -0.753 54.245 54.840 0.263 0.000 0.804 12 L CB 0.409 42.479 42.059 0.018 0.000 1.214 12 L HN 0.431 nan 8.230 nan 0.000 0.476 13 K N 1.007 121.448 120.400 0.068 0.000 2.382 13 K HA 0.128 4.449 4.320 0.001 0.000 0.275 13 K C -2.251 174.349 176.600 0.001 0.000 1.009 13 K CA -1.354 54.945 56.287 0.019 0.000 0.970 13 K CB 0.614 33.118 32.500 0.007 0.000 0.934 13 K HN 0.161 nan 8.250 nan 0.000 0.479 14 P HA -0.085 nan 4.420 nan 0.000 0.253 14 P C -0.102 177.189 177.300 -0.014 0.000 1.159 14 P CA 1.207 64.298 63.100 -0.016 0.000 0.779 14 P CB 0.200 31.879 31.700 -0.036 0.000 0.745 15 G N 2.502 111.299 108.800 -0.005 0.000 2.137 15 G HA2 -0.287 3.674 3.960 0.001 0.000 0.237 15 G HA3 -0.287 3.674 3.960 0.001 0.000 0.237 15 G C -0.064 174.829 174.900 -0.012 0.000 1.002 15 G CA -0.247 44.849 45.100 -0.006 0.000 0.702 15 G HN 0.528 nan 8.290 nan 0.000 0.515 16 M N 0.491 120.078 119.600 -0.021 0.000 2.311 16 M HA 0.494 4.975 4.480 0.001 0.000 0.325 16 M C -0.537 175.712 176.300 -0.086 0.000 1.061 16 M CA -0.799 54.477 55.300 -0.040 0.000 0.957 16 M CB 1.409 33.987 32.600 -0.036 0.000 1.646 16 M HN 0.156 nan 8.290 nan 0.000 0.434 17 D N 2.275 122.624 120.400 -0.084 0.000 2.312 17 D HA 0.486 5.127 4.640 0.001 0.000 0.248 17 D C 0.281 176.403 176.300 -0.296 0.000 1.086 17 D CA 0.231 54.154 54.000 -0.128 0.000 0.948 17 D CB 1.305 42.108 40.800 0.004 0.000 1.162 17 D HN 0.706 nan 8.370 nan 0.000 0.446 18 G N 1.102 109.536 108.800 -0.609 0.000 2.732 18 G HA2 0.241 4.202 3.960 0.001 0.000 0.244 18 G HA3 0.241 4.202 3.960 0.001 0.000 0.244 18 G C -2.165 172.549 174.900 -0.310 0.000 1.226 18 G CA -0.820 43.683 45.100 -0.995 0.000 0.860 18 G HN 0.491 nan 8.290 nan 0.000 0.583 19 P HA 0.259 nan 4.420 nan 0.000 0.275 19 P C -0.819 176.575 177.300 0.157 0.000 1.228 19 P CA -0.154 62.958 63.100 0.021 0.000 0.786 19 P CB 1.224 32.948 31.700 0.040 0.000 0.927 20 K N 1.257 121.730 120.400 0.122 0.000 3.350 20 K HA 0.254 4.575 4.320 0.001 0.000 0.181 20 K C -0.647 175.999 176.600 0.076 0.000 1.064 20 K CA -0.392 55.963 56.287 0.114 0.000 0.839 20 K CB 0.989 33.547 32.500 0.096 0.000 0.819 20 K HN 0.206 nan 8.250 nan 0.000 0.523 21 V N 1.484 121.442 119.914 0.073 0.000 2.583 21 V HA 0.144 4.265 4.120 0.001 0.000 0.287 21 V C 0.636 176.757 176.094 0.044 0.000 1.051 21 V CA -0.505 61.835 62.300 0.067 0.000 1.010 21 V CB 1.107 32.974 31.823 0.073 0.000 0.988 21 V HN 0.318 nan 8.190 nan 0.000 0.478 22 K N 2.607 123.044 120.400 0.063 0.000 2.295 22 K HA 0.192 4.512 4.320 0.001 0.000 0.270 22 K C -0.029 176.573 176.600 0.002 0.000 1.011 22 K CA -0.423 55.891 56.287 0.046 0.000 0.953 22 K CB 0.640 33.188 32.500 0.079 0.000 0.956 22 K HN 0.725 nan 8.250 nan 0.000 0.477 23 Q N 3.876 123.642 119.800 -0.057 0.000 2.267 23 Q HA 0.190 4.531 4.340 0.001 0.000 0.255 23 Q C -1.575 174.380 176.000 -0.075 0.000 0.923 23 Q CA -0.399 55.285 55.803 -0.200 0.000 0.925 23 Q CB 0.472 29.112 28.738 -0.164 0.000 1.195 23 Q HN 0.448 nan 8.270 nan 0.000 0.417 24 W N 3.096 124.399 121.300 0.005 0.000 2.359 24 W HA 0.711 5.372 4.660 0.002 0.000 0.344 24 W C -2.454 174.027 176.519 -0.064 0.000 1.170 24 W CA -2.907 54.419 57.345 -0.032 0.000 1.296 24 W CB -0.772 28.661 29.460 -0.045 0.000 1.197 24 W HN 0.549 nan 8.180 nan 0.000 0.618 25 P HA 0.068 nan 4.420 nan 0.000 0.264 25 P C -0.663 176.694 177.300 0.095 0.000 1.183 25 P CA 0.413 63.565 63.100 0.086 0.000 0.763 25 P CB 0.402 32.116 31.700 0.022 0.000 0.807 26 L N 1.634 122.866 121.223 0.016 0.000 2.370 26 L HA 0.464 4.805 4.340 0.001 0.000 0.266 26 L C 0.802 177.629 176.870 -0.071 0.000 1.002 26 L CA -0.950 53.877 54.840 -0.023 0.000 0.818 26 L CB 2.061 44.102 42.059 -0.030 0.000 1.325 26 L HN 0.327 nan 8.230 nan 0.000 0.418 27 T N -3.045 111.448 114.554 -0.102 0.000 2.855 27 T HA -0.006 4.344 4.350 0.001 0.000 0.314 27 T C 0.948 175.592 174.700 -0.094 0.000 1.077 27 T CA -0.228 61.815 62.100 -0.094 0.000 1.095 27 T CB 1.183 69.998 68.868 -0.090 0.000 0.987 27 T HN 0.823 nan 8.240 nan 0.000 0.546 28 E N 0.888 121.047 120.200 -0.068 0.000 2.097 28 E HA -0.280 4.071 4.350 0.001 0.000 0.196 28 E C 2.013 178.556 176.600 -0.095 0.000 1.000 28 E CA 1.864 58.225 56.400 -0.065 0.000 0.804 28 E CB -0.104 29.574 29.700 -0.037 0.000 0.740 28 E HN 0.943 nan 8.360 nan 0.000 0.454 29 E N 0.540 120.684 120.200 -0.095 0.000 2.072 29 E HA -0.203 4.148 4.350 0.001 0.000 0.191 29 E C 2.024 178.401 176.600 -0.373 0.000 0.985 29 E CA 0.981 57.300 56.400 -0.135 0.000 0.801 29 E CB -0.201 29.496 29.700 -0.004 0.000 0.750 29 E HN 0.124 nan 8.360 nan 0.000 0.452 30 K N 0.541 120.685 120.400 -0.426 0.000 2.097 30 K HA -0.077 4.244 4.320 0.001 0.000 0.206 30 K C 2.213 178.573 176.600 -0.400 0.000 1.049 30 K CA 1.400 57.319 56.287 -0.613 0.000 0.933 30 K CB -0.172 32.097 32.500 -0.385 0.000 0.717 30 K HN 0.226 nan 8.250 nan 0.000 0.442 31 I N 1.354 121.780 120.570 -0.239 0.000 2.113 31 I HA -0.311 3.860 4.170 0.001 0.000 0.238 31 I C 2.236 178.260 176.117 -0.154 0.000 1.070 31 I CA 1.431 62.639 61.300 -0.154 0.000 1.332 31 I CB -0.218 37.723 38.000 -0.098 0.000 1.044 31 I HN 0.111 nan 8.210 nan 0.000 0.402 32 K N 0.759 121.067 120.400 -0.154 0.000 2.074 32 K HA -0.224 4.097 4.320 0.001 0.000 0.209 32 K C 2.185 178.695 176.600 -0.150 0.000 1.048 32 K CA 1.694 57.910 56.287 -0.118 0.000 0.926 32 K CB -0.304 32.143 32.500 -0.089 0.000 0.713 32 K HN 0.366 nan 8.250 nan 0.000 0.444 33 A N 1.143 123.782 122.820 -0.302 0.000 1.930 33 A HA -0.105 4.216 4.320 0.001 0.000 0.217 33 A C 2.083 179.552 177.584 -0.191 0.000 1.175 33 A CA 1.135 52.970 52.037 -0.338 0.000 0.627 33 A CB -0.480 17.945 19.000 -0.959 0.000 0.815 33 A HN 0.159 nan 8.150 nan 0.000 0.443 34 L N -0.642 120.463 121.223 -0.197 0.000 2.093 34 L HA -0.128 4.213 4.340 0.001 0.000 0.208 34 L C 2.489 179.333 176.870 -0.043 0.000 1.085 34 L CA 0.737 55.514 54.840 -0.105 0.000 0.755 34 L CB -0.489 41.517 42.059 -0.089 0.000 0.904 34 L HN 0.232 nan 8.230 nan 0.000 0.435 35 V N -0.037 119.856 119.914 -0.036 0.000 2.295 35 V HA -0.291 3.830 4.120 0.001 0.000 0.246 35 V C 2.394 178.489 176.094 0.003 0.000 1.049 35 V CA 1.872 64.175 62.300 0.005 0.000 1.024 35 V CB -0.430 31.390 31.823 -0.004 0.000 0.648 35 V HN 0.458 nan 8.190 nan 0.000 0.447 36 E N -0.264 119.929 120.200 -0.010 0.000 2.051 36 E HA -0.200 4.151 4.350 0.001 0.000 0.192 36 E C 2.274 178.877 176.600 0.005 0.000 0.991 36 E CA 1.449 57.853 56.400 0.007 0.000 0.799 36 E CB -0.157 29.556 29.700 0.022 0.000 0.748 36 E HN 0.413 nan 8.360 nan 0.000 0.449 37 I N 1.055 121.625 120.570 -0.001 0.000 2.127 37 I HA -0.308 3.863 4.170 0.001 0.000 0.241 37 I C 2.525 178.609 176.117 -0.056 0.000 1.075 37 I CA 1.167 62.465 61.300 -0.004 0.000 1.334 37 I CB -1.402 36.596 38.000 -0.002 0.000 1.040 37 I HN 0.276 nan 8.210 nan 0.000 0.405 38 C N 0.357 119.599 119.300 -0.096 0.000 2.435 38 C HA -0.104 4.357 4.460 0.001 0.000 0.279 38 C C 2.936 177.841 174.990 -0.141 0.000 1.321 38 C CA 1.075 59.960 59.018 -0.222 0.000 1.752 38 C CB -1.196 26.330 27.740 -0.357 0.000 1.959 38 C HN 0.528 nan 8.230 nan 0.000 0.500 39 T N 1.080 115.617 114.554 -0.027 0.000 2.803 39 T HA -0.140 4.211 4.350 0.001 0.000 0.269 39 T C 1.657 176.349 174.700 -0.014 0.000 1.052 39 T CA 1.451 63.559 62.100 0.013 0.000 1.136 39 T CB -0.205 68.677 68.868 0.024 0.000 0.864 39 T HN 0.572 nan 8.240 nan 0.000 0.467 40 E N 1.016 121.199 120.200 -0.029 0.000 2.060 40 E HA 0.148 4.499 4.350 0.001 0.000 0.189 40 E C 2.182 178.747 176.600 -0.059 0.000 0.974 40 E CA 0.618 57.003 56.400 -0.026 0.000 0.808 40 E CB -0.540 29.157 29.700 -0.006 0.000 0.768 40 E HN 0.489 nan 8.360 nan 0.000 0.453 41 M N 0.710 120.244 119.600 -0.109 0.000 2.260 41 M HA -0.191 4.289 4.480 0.001 0.000 0.261 41 M C 2.200 178.398 176.300 -0.169 0.000 1.066 41 M CA 1.330 56.522 55.300 -0.180 0.000 1.082 41 M CB -0.214 32.212 32.600 -0.289 0.000 1.388 41 M HN 0.131 nan 8.290 nan 0.000 0.419 42 E N 0.675 120.800 120.200 -0.125 0.000 2.028 42 E HA -0.187 4.164 4.350 0.001 0.000 0.191 42 E C 1.864 178.442 176.600 -0.035 0.000 0.988 42 E CA 1.233 57.599 56.400 -0.056 0.000 0.799 42 E CB 0.186 29.909 29.700 0.037 0.000 0.755 42 E HN 0.441 nan 8.360 nan 0.000 0.447 43 K N 0.506 120.891 120.400 -0.025 0.000 2.026 43 K HA -0.158 4.163 4.320 0.001 0.000 0.208 43 K C 1.933 178.522 176.600 -0.019 0.000 1.048 43 K CA 1.537 57.816 56.287 -0.014 0.000 0.929 43 K CB -0.113 32.383 32.500 -0.007 0.000 0.713 43 K HN 0.157 nan 8.250 nan 0.000 0.439 44 E N -0.165 120.017 120.200 -0.030 0.000 2.510 44 E HA -0.080 4.271 4.350 0.001 0.000 0.202 44 E C 0.953 177.532 176.600 -0.035 0.000 1.072 44 E CA 0.388 56.773 56.400 -0.024 0.000 0.883 44 E CB -0.091 29.592 29.700 -0.029 0.000 0.818 44 E HN 0.553 nan 8.360 nan 0.000 0.548 45 G N 1.567 110.338 108.800 -0.047 0.000 2.189 45 G HA2 -0.400 3.560 3.960 0.001 0.000 0.267 45 G HA3 -0.400 3.560 3.960 0.001 0.000 0.267 45 G C 0.889 175.742 174.900 -0.077 0.000 0.975 45 G CA 0.877 45.950 45.100 -0.044 0.000 0.644 45 G HN 0.315 nan 8.290 nan 0.000 0.537 46 K N -0.213 120.098 120.400 -0.148 0.000 2.209 46 K HA 0.172 4.493 4.320 0.001 0.000 0.204 46 K C 1.450 177.888 176.600 -0.271 0.000 1.048 46 K CA 1.453 57.598 56.287 -0.236 0.000 0.940 46 K CB -0.043 32.176 32.500 -0.469 0.000 0.729 46 K HN 0.844 nan 8.250 nan 0.000 0.451 47 I N -4.397 116.016 120.570 -0.261 0.000 3.174 47 I HA 0.438 4.609 4.170 0.001 0.000 0.313 47 I C -1.030 175.050 176.117 -0.062 0.000 1.155 47 I CA -1.068 60.084 61.300 -0.247 0.000 0.977 47 I CB 2.603 40.331 38.000 -0.454 0.000 1.248 47 I HN -0.360 nan 8.210 nan 0.000 0.453 48 S N 1.007 116.728 115.700 0.034 0.000 2.541 48 S HA 0.424 4.895 4.470 0.001 0.000 0.271 48 S C -0.964 173.664 174.600 0.047 0.000 1.133 48 S CA -0.957 57.280 58.200 0.062 0.000 0.876 48 S CB 2.060 65.258 63.200 -0.002 0.000 1.105 48 S HN 0.503 nan 8.310 nan 0.000 0.470 49 K N 1.849 122.202 120.400 -0.078 0.000 2.319 49 K HA 0.380 4.701 4.320 0.001 0.000 0.265 49 K C -0.138 176.345 176.600 -0.195 0.000 1.000 49 K CA 0.095 56.206 56.287 -0.293 0.000 0.943 49 K CB 0.219 32.528 32.500 -0.318 0.000 0.950 49 K HN 0.621 nan 8.250 nan 0.000 0.485 50 I N -2.359 118.073 120.570 -0.230 0.000 2.785 50 I HA 0.513 4.684 4.170 0.001 0.000 0.302 50 I C 0.237 176.264 176.117 -0.150 0.000 1.069 50 I CA -1.130 60.077 61.300 -0.155 0.000 1.045 50 I CB 2.009 39.931 38.000 -0.130 0.000 1.236 50 I HN 0.511 nan 8.210 nan 0.000 0.429 51 G N 2.180 110.913 108.800 -0.112 0.000 2.557 51 G HA2 0.497 4.458 3.960 0.001 0.000 0.292 51 G HA3 0.497 4.458 3.960 0.001 0.000 0.292 51 G C -1.678 173.162 174.900 -0.099 0.000 1.237 51 G CA -1.334 43.705 45.100 -0.102 0.000 0.978 51 G HN 0.624 nan 8.290 nan 0.000 0.498 52 P HA -0.054 nan 4.420 nan 0.000 0.234 52 P C 1.129 178.376 177.300 -0.089 0.000 1.167 52 P CA 0.733 63.780 63.100 -0.089 0.000 0.763 52 P CB 0.263 31.916 31.700 -0.078 0.000 0.835 53 E N -0.366 119.786 120.200 -0.081 0.000 2.478 53 E HA -0.095 4.256 4.350 0.001 0.000 0.198 53 E C 0.312 176.853 176.600 -0.098 0.000 1.046 53 E CA 0.335 56.687 56.400 -0.079 0.000 0.870 53 E CB -0.715 28.949 29.700 -0.060 0.000 0.818 53 E HN 0.172 nan 8.360 nan 0.000 0.527 54 N N 1.965 120.602 118.700 -0.106 0.000 2.469 54 N HA 0.119 4.859 4.740 0.001 0.000 0.253 54 N C -1.789 173.607 175.510 -0.190 0.000 0.970 54 N CA -1.702 51.275 53.050 -0.122 0.000 0.940 54 N CB 1.787 40.242 38.487 -0.054 0.000 1.128 54 N HN -0.097 nan 8.380 nan 0.000 0.503 55 P HA 0.057 nan 4.420 nan 0.000 0.245 55 P C -0.208 176.904 177.300 -0.314 0.000 1.199 55 P CA 0.213 63.090 63.100 -0.371 0.000 0.807 55 P CB 0.299 31.720 31.700 -0.465 0.000 1.002 56 Y N 1.218 121.528 120.300 0.016 0.000 2.497 56 Y HA 0.268 4.818 4.550 0.001 0.000 0.334 56 Y C 1.020 176.935 175.900 0.026 0.000 1.199 56 Y CA -0.190 57.927 58.100 0.028 0.000 1.425 56 Y CB 0.174 38.677 38.460 0.073 0.000 1.291 56 Y HN -0.036 nan 8.280 nan 0.000 0.562 57 N N 0.168 118.987 118.700 0.199 0.000 2.367 57 N HA 0.444 5.184 4.740 0.001 0.000 0.278 57 N C -1.807 173.764 175.510 0.101 0.000 1.117 57 N CA -0.500 52.623 53.050 0.121 0.000 0.867 57 N CB 1.923 40.442 38.487 0.054 0.000 1.649 57 N HN 0.503 nan 8.380 nan 0.000 0.479 58 T N 2.744 117.347 114.554 0.081 0.000 2.886 58 T HA 0.541 4.891 4.350 0.001 0.000 0.292 58 T C -2.764 171.871 174.700 -0.108 0.000 1.012 58 T CA -0.962 61.137 62.100 -0.002 0.000 0.982 58 T CB 1.946 70.798 68.868 -0.026 0.000 1.018 58 T HN 0.336 nan 8.240 nan 0.000 0.451 59 P HA 0.295 nan 4.420 nan 0.000 0.268 59 P C -1.089 175.982 177.300 -0.380 0.000 1.208 59 P CA -0.337 62.489 63.100 -0.456 0.000 0.777 59 P CB 0.590 31.845 31.700 -0.741 0.000 0.875 60 V N 4.056 123.737 119.914 -0.389 0.000 2.932 60 V HA 0.819 4.940 4.120 0.001 0.000 0.307 60 V C -1.281 174.783 176.094 -0.049 0.000 1.147 60 V CA -0.529 61.619 62.300 -0.253 0.000 0.951 60 V CB 1.158 32.818 31.823 -0.272 0.000 1.031 60 V HN 0.597 nan 8.190 nan 0.000 0.426 61 F N 3.562 123.389 119.950 -0.204 0.000 3.090 61 F HA 1.011 5.539 4.527 0.002 0.000 0.324 61 F C -0.591 175.144 175.800 -0.109 0.000 1.189 61 F CA -0.642 57.283 58.000 -0.125 0.000 0.907 61 F CB 1.169 40.173 39.000 0.008 0.000 1.445 61 F HN 0.757 nan 8.300 nan 0.000 0.500 62 A N 0.845 123.726 122.820 0.102 0.000 2.401 62 A HA 0.918 5.239 4.320 0.001 0.000 0.310 62 A C -0.826 176.931 177.584 0.289 0.000 1.075 62 A CA -0.474 51.582 52.037 0.031 0.000 0.746 62 A CB 1.348 20.259 19.000 -0.148 0.000 1.277 62 A HN 1.266 nan 8.150 nan 0.000 0.425 63 I N -2.026 118.711 120.570 0.279 0.000 3.600 63 I HA 0.793 4.964 4.170 0.001 0.000 0.302 63 I C -1.268 174.936 176.117 0.144 0.000 1.175 63 I CA -1.350 60.103 61.300 0.255 0.000 1.059 63 I CB 2.019 40.089 38.000 0.116 0.000 1.359 63 I HN 0.467 nan 8.210 nan 0.000 0.468 64 K N 1.187 121.558 120.400 -0.049 0.000 2.589 64 K HA 0.411 4.732 4.320 0.001 0.000 0.253 64 K C -1.357 175.135 176.600 -0.180 0.000 0.974 64 K CA -0.862 55.336 56.287 -0.147 0.000 0.835 64 K CB 2.626 34.977 32.500 -0.248 0.000 1.272 64 K HN 0.427 nan 8.250 nan 0.000 0.444 65 K N 1.802 122.063 120.400 -0.231 0.000 2.284 65 K HA -0.009 4.312 4.320 0.001 0.000 0.243 65 K C 1.333 177.833 176.600 -0.166 0.000 1.075 65 K CA 0.090 56.233 56.287 -0.240 0.000 0.868 65 K CB 0.343 32.683 32.500 -0.267 0.000 1.157 65 K HN 0.600 nan 8.250 nan 0.000 0.512 66 K N 0.696 120.992 120.400 -0.174 0.000 1.980 66 K HA -0.288 4.033 4.320 0.001 0.000 0.223 66 K C 1.626 178.170 176.600 -0.092 0.000 1.052 66 K CA 2.233 58.437 56.287 -0.139 0.000 0.974 66 K CB -0.276 32.148 32.500 -0.128 0.000 0.734 66 K HN 0.616 nan 8.250 nan 0.000 0.447 67 D N 1.041 121.391 120.400 -0.083 0.000 2.527 67 D HA -0.052 4.589 4.640 0.001 0.000 0.249 67 D C 0.466 176.733 176.300 -0.054 0.000 1.029 67 D CA 0.408 54.383 54.000 -0.043 0.000 0.951 67 D CB -0.261 40.544 40.800 0.009 0.000 1.093 67 D HN 0.216 nan 8.370 nan 0.000 0.464 68 S N -0.390 115.239 115.700 -0.117 0.000 2.561 68 S HA -0.015 4.455 4.470 0.001 0.000 0.294 68 S C 0.922 175.487 174.600 -0.058 0.000 1.294 68 S CA 0.550 58.691 58.200 -0.099 0.000 1.055 68 S CB 0.671 63.740 63.200 -0.217 0.000 0.819 68 S HN 0.314 nan 8.310 nan 0.000 0.503 69 T N 4.040 118.545 114.554 -0.082 0.000 3.065 69 T HA 0.133 4.484 4.350 0.001 0.000 0.252 69 T C 0.681 175.252 174.700 -0.215 0.000 1.099 69 T CA 0.097 62.104 62.100 -0.154 0.000 1.063 69 T CB -0.028 68.761 68.868 -0.132 0.000 0.948 69 T HN 0.552 nan 8.240 nan 0.000 0.506 70 K N 1.232 121.575 120.400 -0.096 0.000 2.484 70 K HA 0.039 4.360 4.320 0.001 0.000 0.280 70 K C -0.676 176.013 176.600 0.150 0.000 1.013 70 K CA -0.265 56.016 56.287 -0.010 0.000 1.029 70 K CB 0.320 32.789 32.500 -0.052 0.000 0.902 70 K HN 0.312 nan 8.250 nan 0.000 0.481 71 W N 3.107 124.489 121.300 0.137 0.000 2.170 71 W HA 0.048 4.709 4.660 0.001 0.000 0.342 71 W C 0.828 177.436 176.519 0.150 0.000 1.294 71 W CA -0.085 57.322 57.345 0.103 0.000 1.246 71 W CB 0.394 29.883 29.460 0.049 0.000 1.156 71 W HN 0.412 nan 8.180 nan 0.000 0.572 72 R N 2.995 123.673 120.500 0.298 0.000 2.628 72 R HA 0.277 4.618 4.340 0.001 0.000 0.288 72 R C -0.841 175.434 176.300 -0.042 0.000 0.980 72 R CA -1.011 55.099 56.100 0.017 0.000 0.891 72 R CB 1.231 31.230 30.300 -0.502 0.000 1.188 72 R HN 0.454 nan 8.270 nan 0.000 0.450 73 K N 4.056 124.416 120.400 -0.067 0.000 2.297 73 K HA 0.194 4.514 4.320 0.001 0.000 0.286 73 K C -1.229 175.209 176.600 -0.269 0.000 1.053 73 K CA -0.471 55.716 56.287 -0.165 0.000 0.940 73 K CB 0.695 33.113 32.500 -0.136 0.000 1.019 73 K HN 0.308 nan 8.250 nan 0.000 0.475 74 L N 5.509 126.447 121.223 -0.475 0.000 2.356 74 L HA 0.416 4.756 4.340 0.001 0.000 0.277 74 L C -1.579 174.894 176.870 -0.662 0.000 0.996 74 L CA -0.629 53.847 54.840 -0.605 0.000 0.822 74 L CB 1.926 43.432 42.059 -0.921 0.000 1.256 74 L HN 0.403 nan 8.230 nan 0.000 0.413 75 V N 4.185 123.829 119.914 -0.449 0.000 2.384 75 V HA 0.305 4.426 4.120 0.001 0.000 0.287 75 V C -0.438 175.426 176.094 -0.383 0.000 1.020 75 V CA -0.691 61.277 62.300 -0.554 0.000 0.850 75 V CB 1.456 32.740 31.823 -0.898 0.000 0.987 75 V HN 0.761 nan 8.190 nan 0.000 0.436 76 D N 4.203 124.495 120.400 -0.180 0.000 2.498 76 D HA 0.105 4.745 4.640 0.001 0.000 0.229 76 D C 0.485 176.771 176.300 -0.024 0.000 1.188 76 D CA -0.074 53.974 54.000 0.081 0.000 1.028 76 D CB -0.147 40.859 40.800 0.344 0.000 1.087 76 D HN 0.474 nan 8.370 nan 0.000 0.510 77 F N 1.681 121.704 119.950 0.122 0.000 2.695 77 F HA 0.163 4.691 4.527 0.001 0.000 0.301 77 F C 2.157 178.037 175.800 0.133 0.000 1.182 77 F CA -0.396 57.680 58.000 0.126 0.000 1.412 77 F CB 0.177 39.273 39.000 0.160 0.000 1.056 77 F HN 0.180 nan 8.300 nan 0.000 0.522 78 R N 0.293 120.938 120.500 0.241 0.000 2.094 78 R HA -0.234 4.106 4.340 0.001 0.000 0.239 78 R C 2.114 178.501 176.300 0.145 0.000 1.137 78 R CA 1.900 58.094 56.100 0.156 0.000 0.943 78 R CB -0.290 30.039 30.300 0.049 0.000 0.850 78 R HN 0.188 nan 8.270 nan 0.000 0.433 79 E N 0.848 121.131 120.200 0.138 0.000 2.031 79 E HA -0.185 4.166 4.350 0.001 0.000 0.193 79 E C 1.781 178.467 176.600 0.144 0.000 0.994 79 E CA 1.030 57.497 56.400 0.113 0.000 0.800 79 E CB -0.303 29.454 29.700 0.096 0.000 0.752 79 E HN 0.126 nan 8.360 nan 0.000 0.447 80 L N 1.062 122.415 121.223 0.218 0.000 2.042 80 L HA -0.182 4.159 4.340 0.001 0.000 0.210 80 L C 1.689 178.741 176.870 0.302 0.000 1.076 80 L CA 1.872 56.859 54.840 0.245 0.000 0.749 80 L CB -0.864 41.403 42.059 0.346 0.000 0.893 80 L HN 0.142 nan 8.230 nan 0.000 0.432 81 N N 0.658 119.546 118.700 0.312 0.000 2.069 81 N HA -0.229 4.512 4.740 0.001 0.000 0.191 81 N C 1.675 177.279 175.510 0.155 0.000 1.031 81 N CA 1.906 55.099 53.050 0.238 0.000 0.852 81 N CB -0.304 38.292 38.487 0.182 0.000 1.018 81 N HN 0.642 nan 8.380 nan 0.000 0.423 82 K N 0.557 121.030 120.400 0.122 0.000 2.365 82 K HA 0.056 4.377 4.320 0.001 0.000 0.199 82 K C 1.493 178.138 176.600 0.076 0.000 1.045 82 K CA 0.809 57.143 56.287 0.079 0.000 0.962 82 K CB 0.102 32.632 32.500 0.050 0.000 0.759 82 K HN 0.061 nan 8.250 nan 0.000 0.469 83 R N 0.578 121.137 120.500 0.099 0.000 2.290 83 R HA 0.116 4.457 4.340 0.001 0.000 0.197 83 R C 0.021 176.402 176.300 0.134 0.000 0.913 83 R CA 0.110 56.252 56.100 0.071 0.000 1.040 83 R CB 0.543 30.852 30.300 0.015 0.000 0.992 83 R HN 0.035 nan 8.270 nan 0.000 0.500 84 T N 2.907 117.606 114.554 0.240 0.000 2.851 84 T HA 0.020 4.370 4.350 0.001 0.000 0.298 84 T C -0.209 174.624 174.700 0.221 0.000 0.977 84 T CA -0.297 62.027 62.100 0.374 0.000 1.126 84 T CB 1.081 70.314 68.868 0.609 0.000 0.916 84 T HN 0.248 nan 8.240 nan 0.000 0.529 85 Q N 2.288 122.196 119.800 0.180 0.000 2.687 85 Q HA -0.069 4.272 4.340 0.001 0.000 0.341 85 Q C -0.771 175.278 176.000 0.082 0.000 1.074 85 Q CA 0.048 55.881 55.803 0.050 0.000 1.115 85 Q CB -0.331 28.375 28.738 -0.054 0.000 0.996 85 Q HN 0.415 nan 8.270 nan 0.000 0.397 86 D N 3.205 123.639 120.400 0.057 0.000 2.376 86 D HA -0.016 4.625 4.640 0.001 0.000 0.278 86 D C -0.911 175.502 176.300 0.188 0.000 1.384 86 D CA 0.250 54.318 54.000 0.114 0.000 1.033 86 D CB -0.046 40.795 40.800 0.069 0.000 1.102 86 D HN 0.375 nan 8.370 nan 0.000 0.530 87 F N 2.364 122.314 119.950 -0.000 0.000 2.440 87 F HA -0.044 4.483 4.527 0.001 0.000 0.379 87 F C 0.495 176.396 175.800 0.168 0.000 1.061 87 F CA 0.123 58.126 58.000 0.005 0.000 1.026 87 F CB 0.104 39.023 39.000 -0.134 0.000 0.967 87 F HN 0.493 nan 8.300 nan 0.000 0.547 88 W N 4.687 125.952 121.300 -0.058 0.000 1.889 88 W HA 0.271 4.932 4.660 0.001 0.000 0.373 88 W C 0.174 176.676 176.519 -0.029 0.000 0.663 88 W CA -1.094 56.236 57.345 -0.025 0.000 2.177 88 W CB -0.867 28.567 29.460 -0.043 0.000 1.819 88 W HN 0.417 nan 8.180 nan 0.000 0.505 89 E N -0.386 119.873 120.200 0.098 0.000 2.892 89 E HA -0.137 4.214 4.350 0.001 0.000 0.273 89 E C 1.043 177.638 176.600 -0.009 0.000 0.921 89 E CA 0.348 56.777 56.400 0.049 0.000 0.968 89 E CB 0.579 30.313 29.700 0.057 0.000 0.941 89 E HN 0.044 nan 8.360 nan 0.000 0.492 90 V N 2.711 122.628 119.914 0.004 0.000 3.330 90 V HA -0.234 3.887 4.120 0.001 0.000 0.273 90 V C 1.594 177.667 176.094 -0.036 0.000 1.179 90 V CA 1.939 64.236 62.300 -0.006 0.000 1.174 90 V CB -1.168 30.660 31.823 0.007 0.000 0.794 90 V HN 0.665 nan 8.190 nan 0.000 0.527 91 Q N -0.506 119.268 119.800 -0.044 0.000 2.282 91 Q HA 0.305 4.646 4.340 0.001 0.000 0.206 91 Q C 0.509 176.455 176.000 -0.089 0.000 0.878 91 Q CA -0.001 55.772 55.803 -0.050 0.000 0.944 91 Q CB 0.032 28.756 28.738 -0.025 0.000 1.100 91 Q HN 0.381 nan 8.270 nan 0.000 0.509 92 L N 1.173 122.304 121.223 -0.152 0.000 3.453 92 L HA -0.216 4.124 4.340 0.001 0.000 0.650 92 L C 0.827 177.606 176.870 -0.151 0.000 1.276 92 L CA 0.004 54.700 54.840 -0.240 0.000 1.063 92 L CB -2.103 39.819 42.059 -0.227 0.000 1.664 92 L HN 0.695 nan 8.230 nan 0.000 0.878 93 G N 1.676 110.406 108.800 -0.116 0.000 2.582 93 G HA2 -0.270 3.691 3.960 0.001 0.000 0.300 93 G HA3 -0.270 3.691 3.960 0.001 0.000 0.300 93 G C 0.021 174.924 174.900 0.005 0.000 1.300 93 G CA 0.424 45.502 45.100 -0.037 0.000 0.959 93 G HN 1.254 nan 8.290 nan 0.000 0.548 94 I N -1.785 118.820 120.570 0.059 0.000 2.560 94 I HA 0.441 4.611 4.170 0.001 0.000 0.283 94 I C -2.470 173.737 176.117 0.151 0.000 1.115 94 I CA -2.224 59.137 61.300 0.101 0.000 1.066 94 I CB 1.203 39.286 38.000 0.139 0.000 1.221 94 I HN 0.437 nan 8.210 nan 0.000 0.450 95 P HA -0.010 nan 4.420 nan 0.000 0.257 95 P C -0.000 177.384 177.300 0.140 0.000 1.189 95 P CA 0.324 63.487 63.100 0.106 0.000 0.780 95 P CB 0.002 31.734 31.700 0.054 0.000 0.772 96 H N 6.547 125.654 119.070 0.061 0.000 3.232 96 H HA -0.037 4.520 4.556 0.001 0.000 0.276 96 H C -1.401 173.870 175.328 -0.095 0.000 0.882 96 H CA -0.995 55.038 56.048 -0.026 0.000 1.415 96 H CB -0.200 29.549 29.762 -0.021 0.000 1.405 96 H HN 0.315 nan 8.280 nan 0.000 0.543 97 P HA 0.033 nan 4.420 nan 0.000 0.264 97 P C 0.258 177.258 177.300 -0.500 0.000 1.537 97 P CA 0.205 63.072 63.100 -0.388 0.000 1.189 97 P CB 0.116 31.634 31.700 -0.303 0.000 1.687 98 A N 3.658 126.291 122.820 -0.312 0.000 2.186 98 A HA -0.081 4.240 4.320 0.001 0.000 0.219 98 A C 2.133 179.578 177.584 -0.231 0.000 1.159 98 A CA 1.686 53.570 52.037 -0.254 0.000 0.680 98 A CB -1.034 17.895 19.000 -0.117 0.000 0.787 98 A HN 0.512 nan 8.150 nan 0.000 0.467 99 G N -1.303 107.373 108.800 -0.206 0.000 2.985 99 G HA2 0.197 4.158 3.960 0.001 0.000 0.209 99 G HA3 0.197 4.158 3.960 0.001 0.000 0.209 99 G C 1.181 175.982 174.900 -0.165 0.000 1.165 99 G CA 0.622 45.629 45.100 -0.155 0.000 0.776 99 G HN 0.436 nan 8.290 nan 0.000 0.541 100 L N 1.284 122.365 121.223 -0.238 0.000 2.179 100 L HA 0.163 4.504 4.340 0.001 0.000 0.208 100 L C 2.646 179.402 176.870 -0.191 0.000 1.096 100 L CA 1.889 56.607 54.840 -0.205 0.000 0.779 100 L CB -0.201 41.681 42.059 -0.294 0.000 0.922 100 L HN 0.335 nan 8.230 nan 0.000 0.443 101 K N -1.354 118.899 120.400 -0.246 0.000 2.486 101 K HA -0.052 4.269 4.320 0.001 0.000 0.194 101 K C 1.557 178.062 176.600 -0.157 0.000 1.033 101 K CA 0.928 57.084 56.287 -0.219 0.000 1.004 101 K CB -0.065 32.260 32.500 -0.291 0.000 0.798 101 K HN 0.257 nan 8.250 nan 0.000 0.495 102 K N 0.465 120.782 120.400 -0.139 0.000 2.348 102 K HA 0.128 4.449 4.320 0.001 0.000 0.194 102 K C -0.096 176.452 176.600 -0.088 0.000 1.052 102 K CA -0.179 56.044 56.287 -0.107 0.000 1.004 102 K CB 0.453 32.892 32.500 -0.102 0.000 0.873 102 K HN -0.067 nan 8.250 nan 0.000 0.523 103 K N 2.203 122.550 120.400 -0.087 0.000 2.447 103 K HA -0.003 4.318 4.320 0.001 0.000 0.281 103 K C 0.673 177.226 176.600 -0.078 0.000 1.031 103 K CA 0.491 56.731 56.287 -0.078 0.000 1.019 103 K CB 0.655 33.116 32.500 -0.065 0.000 0.918 103 K HN 0.057 nan 8.250 nan 0.000 0.476 104 K N 0.815 121.164 120.400 -0.084 0.000 2.228 104 K HA -0.105 4.216 4.320 0.001 0.000 0.205 104 K C 0.246 176.816 176.600 -0.049 0.000 1.045 104 K CA 1.148 57.395 56.287 -0.066 0.000 0.931 104 K CB 0.097 32.550 32.500 -0.078 0.000 0.727 104 K HN 0.405 nan 8.250 nan 0.000 0.458 105 S N -0.700 114.914 115.700 -0.142 0.000 2.579 105 S HA 0.502 4.973 4.470 0.001 0.000 0.272 105 S C -1.234 173.324 174.600 -0.070 0.000 1.141 105 S CA -0.931 57.186 58.200 -0.138 0.000 0.843 105 S CB 2.884 65.910 63.200 -0.289 0.000 1.122 105 S HN -0.125 nan 8.310 nan 0.000 0.468 106 V N 1.697 121.617 119.914 0.011 0.000 2.711 106 V HA 0.506 4.627 4.120 0.001 0.000 0.304 106 V C -0.720 175.418 176.094 0.073 0.000 1.097 106 V CA -0.603 61.761 62.300 0.105 0.000 0.906 106 V CB 2.111 33.977 31.823 0.072 0.000 1.015 106 V HN 0.916 nan 8.190 nan 0.000 0.427 107 T N 3.810 118.432 114.554 0.113 0.000 2.824 107 T HA 0.613 4.964 4.350 0.001 0.000 0.280 107 T C -0.355 174.329 174.700 -0.026 0.000 0.995 107 T CA -0.437 61.668 62.100 0.009 0.000 1.009 107 T CB 1.843 70.688 68.868 -0.038 0.000 0.955 107 T HN 0.365 nan 8.240 nan 0.000 0.452 108 V N 4.843 124.708 119.914 -0.080 0.000 2.370 108 V HA 0.446 4.567 4.120 0.001 0.000 0.283 108 V C -0.254 175.745 176.094 -0.158 0.000 1.023 108 V CA -0.667 61.495 62.300 -0.229 0.000 0.857 108 V CB 1.020 32.713 31.823 -0.216 0.000 0.985 108 V HN 0.697 nan 8.190 nan 0.000 0.443 109 L N 3.706 124.813 121.223 -0.194 0.000 2.329 109 L HA 0.517 4.857 4.340 0.001 0.000 0.279 109 L C -0.268 176.513 176.870 -0.149 0.000 1.014 109 L CA -0.603 54.159 54.840 -0.131 0.000 0.814 109 L CB 2.007 44.005 42.059 -0.102 0.000 1.257 109 L HN 0.581 nan 8.230 nan 0.000 0.424 110 D N 1.967 122.289 120.400 -0.129 0.000 2.522 110 D HA 0.148 4.789 4.640 0.001 0.000 0.218 110 D C 0.686 176.883 176.300 -0.171 0.000 1.149 110 D CA -0.400 53.509 54.000 -0.151 0.000 0.981 110 D CB 0.859 41.573 40.800 -0.143 0.000 1.041 110 D HN 0.262 nan 8.370 nan 0.000 0.518 111 V N 1.674 121.452 119.914 -0.225 0.000 3.563 111 V HA 0.335 4.456 4.120 0.001 0.000 0.299 111 V C 1.923 177.729 176.094 -0.479 0.000 1.290 111 V CA 0.355 62.480 62.300 -0.292 0.000 1.201 111 V CB -0.148 31.503 31.823 -0.287 0.000 1.045 111 V HN 0.397 nan 8.190 nan 0.000 0.425 112 G N 1.024 109.562 108.800 -0.437 0.000 2.529 112 G HA2 -0.305 3.656 3.960 0.001 0.000 0.219 112 G HA3 -0.305 3.656 3.960 0.001 0.000 0.219 112 G C 1.171 175.687 174.900 -0.639 0.000 1.177 112 G CA 1.319 46.092 45.100 -0.545 0.000 0.773 112 G HN 0.519 nan 8.290 nan 0.000 0.573 113 D N 1.051 121.187 120.400 -0.440 0.000 2.149 113 D HA -0.205 4.436 4.640 0.001 0.000 0.194 113 D C 2.845 178.953 176.300 -0.320 0.000 1.001 113 D CA 1.380 55.168 54.000 -0.353 0.000 0.849 113 D CB -0.419 40.319 40.800 -0.103 0.000 0.939 113 D HN 0.319 nan 8.370 nan 0.000 0.449 114 A N 0.771 123.367 122.820 -0.374 0.000 1.909 114 A HA -0.288 4.033 4.320 0.001 0.000 0.221 114 A C 2.129 179.486 177.584 -0.378 0.000 1.223 114 A CA 1.808 53.628 52.037 -0.361 0.000 0.658 114 A CB -1.560 17.101 19.000 -0.565 0.000 0.831 114 A HN 0.436 nan 8.150 nan 0.000 0.462 115 Y N -1.467 118.466 120.300 -0.611 0.000 2.181 115 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 115 Y C 2.134 178.038 175.900 0.006 0.000 1.179 115 Y CA 1.011 58.842 58.100 -0.448 0.000 1.179 115 Y CB -0.477 37.722 38.460 -0.435 0.000 0.973 115 Y HN 0.383 nan 8.280 nan 0.000 0.519 116 F N -0.264 119.763 119.950 0.128 0.000 2.722 116 F HA -0.150 4.377 4.527 0.001 0.000 0.298 116 F C 2.064 177.940 175.800 0.126 0.000 1.175 116 F CA 0.340 58.421 58.000 0.135 0.000 1.462 116 F CB -0.144 38.927 39.000 0.118 0.000 1.111 116 F HN 0.118 nan 8.300 nan 0.000 0.592 117 S N -1.326 114.559 115.700 0.309 0.000 2.540 117 S HA 0.160 4.631 4.470 0.001 0.000 0.218 117 S C 0.171 174.917 174.600 0.245 0.000 0.977 117 S CA -0.264 58.084 58.200 0.246 0.000 0.918 117 S CB -0.225 63.112 63.200 0.228 0.000 0.806 117 S HN -0.066 nan 8.310 nan 0.000 0.496 118 V N 4.781 124.862 119.914 0.279 0.000 2.417 118 V HA 0.494 4.614 4.120 0.001 0.000 0.291 118 V C -2.304 173.917 176.094 0.212 0.000 1.024 118 V CA -2.253 60.201 62.300 0.257 0.000 0.861 118 V CB 1.633 33.656 31.823 0.332 0.000 0.985 118 V HN 0.248 nan 8.190 nan 0.000 0.436 119 P HA 0.177 nan 4.420 nan 0.000 0.272 119 P C -0.841 176.543 177.300 0.141 0.000 1.223 119 P CA -0.351 62.832 63.100 0.138 0.000 0.784 119 P CB 1.468 33.233 31.700 0.108 0.000 0.923 120 L N 2.159 123.459 121.223 0.128 0.000 2.322 120 L HA 0.367 4.708 4.340 0.001 0.000 0.279 120 L C 0.025 176.956 176.870 0.102 0.000 1.036 120 L CA -0.543 54.370 54.840 0.121 0.000 0.807 120 L CB 0.555 42.678 42.059 0.107 0.000 1.226 120 L HN 0.264 nan 8.230 nan 0.000 0.433 121 D N 2.405 122.871 120.400 0.110 0.000 2.502 121 D HA -0.093 4.548 4.640 0.001 0.000 0.249 121 D C 1.111 177.460 176.300 0.083 0.000 1.188 121 D CA 0.589 54.647 54.000 0.097 0.000 0.890 121 D CB 0.851 41.714 40.800 0.106 0.000 1.140 121 D HN 0.669 nan 8.370 nan 0.000 0.505 122 E N 2.547 122.779 120.200 0.053 0.000 2.169 122 E HA -0.244 4.106 4.350 0.001 0.000 0.202 122 E C 0.910 177.504 176.600 -0.010 0.000 1.016 122 E CA 1.595 58.009 56.400 0.022 0.000 0.817 122 E CB 0.096 29.806 29.700 0.017 0.000 0.736 122 E HN 0.571 nan 8.360 nan 0.000 0.462 123 D N -1.515 118.888 120.400 0.005 0.000 2.348 123 D HA -0.094 4.547 4.640 0.001 0.000 0.216 123 D C 1.064 177.273 176.300 -0.152 0.000 0.970 123 D CA 0.441 54.412 54.000 -0.047 0.000 0.889 123 D CB 0.012 40.819 40.800 0.012 0.000 0.912 123 D HN 0.228 nan 8.370 nan 0.000 0.524 124 F N 1.154 120.956 119.950 -0.246 0.000 2.678 124 F HA 0.150 4.678 4.527 0.001 0.000 0.291 124 F C 2.090 177.655 175.800 -0.393 0.000 1.123 124 F CA -0.041 57.742 58.000 -0.363 0.000 1.395 124 F CB 0.269 39.181 39.000 -0.147 0.000 1.121 124 F HN -0.273 nan 8.300 nan 0.000 0.592 125 R N 1.037 121.455 120.500 -0.138 0.000 2.140 125 R HA -0.263 4.078 4.340 0.001 0.000 0.250 125 R C 2.110 178.326 176.300 -0.140 0.000 1.150 125 R CA 2.242 58.287 56.100 -0.092 0.000 0.966 125 R CB -0.769 29.518 30.300 -0.022 0.000 0.869 125 R HN 0.372 nan 8.270 nan 0.000 0.445 126 K N 0.059 120.313 120.400 -0.243 0.000 2.281 126 K HA -0.175 4.146 4.320 0.001 0.000 0.203 126 K C 1.474 178.088 176.600 0.023 0.000 1.046 126 K CA 1.629 57.859 56.287 -0.094 0.000 0.938 126 K CB -0.338 32.128 32.500 -0.056 0.000 0.737 126 K HN 0.410 nan 8.250 nan 0.000 0.458 127 Y N 2.004 122.116 120.300 -0.314 0.000 2.516 127 Y HA -0.067 4.484 4.550 0.002 0.000 0.291 127 Y C 1.843 177.628 175.900 -0.191 0.000 1.131 127 Y CA 0.614 58.428 58.100 -0.477 0.000 1.281 127 Y CB 0.214 38.063 38.460 -1.019 0.000 1.013 127 Y HN 0.283 nan 8.280 nan 0.000 0.554 128 T N -1.793 112.814 114.554 0.087 0.000 3.273 128 T HA 0.478 4.829 4.350 0.001 0.000 0.254 128 T C 0.420 175.378 174.700 0.430 0.000 1.002 128 T CA -0.386 61.895 62.100 0.301 0.000 0.913 128 T CB -0.419 68.611 68.868 0.269 0.000 1.056 128 T HN 0.185 nan 8.240 nan 0.000 0.576 129 A N 1.924 124.916 122.820 0.286 0.000 2.450 129 A HA 0.600 4.920 4.320 0.001 0.000 0.255 129 A C -0.128 177.605 177.584 0.249 0.000 1.096 129 A CA -0.653 51.506 52.037 0.203 0.000 0.778 129 A CB -0.415 18.659 19.000 0.123 0.000 1.031 129 A HN 0.802 nan 8.150 nan 0.000 0.494 130 F N -0.283 119.721 119.950 0.089 0.000 2.613 130 F HA 0.829 5.356 4.527 0.001 0.000 0.314 130 F C -0.337 175.479 175.800 0.026 0.000 1.075 130 F CA -0.812 57.201 58.000 0.021 0.000 0.945 130 F CB 1.515 40.510 39.000 -0.010 0.000 1.310 130 F HN 0.310 nan 8.300 nan 0.000 0.467 131 T N 2.781 117.422 114.554 0.145 0.000 2.824 131 T HA 0.519 4.870 4.350 0.001 0.000 0.282 131 T C -0.420 174.345 174.700 0.108 0.000 0.993 131 T CA -0.417 61.703 62.100 0.032 0.000 0.967 131 T CB 1.490 70.340 68.868 -0.030 0.000 0.960 131 T HN 0.582 nan 8.240 nan 0.000 0.441 132 I N 6.009 126.639 120.570 0.100 0.000 2.269 132 I HA 0.218 4.389 4.170 0.001 0.000 0.293 132 I C -1.668 174.453 176.117 0.006 0.000 1.106 132 I CA -2.161 59.189 61.300 0.085 0.000 1.248 132 I CB 0.715 38.792 38.000 0.127 0.000 1.444 132 I HN 0.333 nan 8.210 nan 0.000 0.497 133 P HA 0.002 nan 4.420 nan 0.000 0.270 133 P C -0.366 176.914 177.300 -0.033 0.000 1.227 133 P CA -0.056 63.023 63.100 -0.034 0.000 0.788 133 P CB 0.814 32.489 31.700 -0.041 0.000 0.926 134 S N 0.504 116.184 115.700 -0.034 0.000 2.621 134 S HA 0.540 5.010 4.470 0.001 0.000 0.302 134 S C 0.208 174.789 174.600 -0.030 0.000 1.093 134 S CA -1.023 57.157 58.200 -0.033 0.000 1.017 134 S CB 0.652 63.832 63.200 -0.034 0.000 1.077 134 S HN 0.319 nan 8.310 nan 0.000 0.517 135 I N 2.379 122.931 120.570 -0.030 0.000 2.588 135 I HA 0.138 4.309 4.170 0.001 0.000 0.283 135 I C 0.918 177.021 176.117 -0.022 0.000 1.119 135 I CA 0.190 61.474 61.300 -0.027 0.000 1.419 135 I CB -0.050 37.934 38.000 -0.027 0.000 1.394 135 I HN 0.996 nan 8.210 nan 0.000 0.562 136 N N 5.407 124.096 118.700 -0.019 0.000 2.721 136 N HA -0.277 4.464 4.740 0.001 0.000 0.249 136 N C 0.108 175.609 175.510 -0.016 0.000 1.072 136 N CA 0.850 53.891 53.050 -0.016 0.000 0.710 136 N CB -1.011 37.467 38.487 -0.014 0.000 0.993 136 N HN 0.776 nan 8.380 nan 0.000 0.547 137 N N -1.166 117.523 118.700 -0.018 0.000 2.686 137 N HA -0.253 4.488 4.740 0.001 0.000 0.249 137 N C 0.501 175.998 175.510 -0.022 0.000 1.082 137 N CA 1.438 54.475 53.050 -0.020 0.000 0.725 137 N CB -0.453 38.024 38.487 -0.017 0.000 1.009 137 N HN 0.738 nan 8.380 nan 0.000 0.545 138 E N -0.188 119.998 120.200 -0.022 0.000 2.001 138 E HA -0.092 4.259 4.350 0.001 0.000 0.193 138 E C 1.247 177.831 176.600 -0.026 0.000 0.994 138 E CA 1.534 57.920 56.400 -0.022 0.000 0.815 138 E CB -0.070 29.617 29.700 -0.021 0.000 0.770 138 E HN 0.606 nan 8.360 nan 0.000 0.453 139 T N 0.114 114.650 114.554 -0.030 0.000 2.862 139 T HA 0.356 4.707 4.350 0.001 0.000 0.276 139 T C -2.398 172.277 174.700 -0.041 0.000 0.974 139 T CA -1.862 60.217 62.100 -0.036 0.000 0.966 139 T CB 1.431 70.276 68.868 -0.037 0.000 1.072 139 T HN -0.128 nan 8.240 nan 0.000 0.538 140 P HA 0.360 nan 4.420 nan 0.000 0.279 140 P C 0.280 177.540 177.300 -0.067 0.000 1.252 140 P CA -0.309 62.756 63.100 -0.058 0.000 0.811 140 P CB 0.567 32.228 31.700 -0.065 0.000 1.035 141 G N 2.031 110.789 108.800 -0.069 0.000 2.491 141 G HA2 0.286 4.247 3.960 0.001 0.000 0.242 141 G HA3 0.286 4.247 3.960 0.001 0.000 0.242 141 G C 0.170 175.003 174.900 -0.112 0.000 1.266 141 G CA -0.513 44.542 45.100 -0.074 0.000 0.844 141 G HN 0.386 nan 8.290 nan 0.000 0.571 142 I N 1.786 122.289 120.570 -0.113 0.000 2.452 142 I HA 0.186 4.356 4.170 0.001 0.000 0.287 142 I C 0.872 176.811 176.117 -0.297 0.000 1.079 142 I CA 0.092 61.266 61.300 -0.211 0.000 1.387 142 I CB 0.444 38.366 38.000 -0.130 0.000 1.404 142 I HN 0.355 nan 8.210 nan 0.000 0.522 143 R N 6.179 126.422 120.500 -0.429 0.000 2.407 143 R HA 0.619 4.960 4.340 0.001 0.000 0.303 143 R C -1.261 174.642 176.300 -0.661 0.000 0.981 143 R CA -0.583 55.257 56.100 -0.433 0.000 0.905 143 R CB 1.749 31.878 30.300 -0.285 0.000 1.099 143 R HN 0.428 nan 8.270 nan 0.000 0.459 144 Y N -0.004 119.906 120.300 -0.649 0.000 2.638 144 Y HA 0.285 4.836 4.550 0.001 0.000 0.339 144 Y C -0.218 175.359 175.900 -0.539 0.000 1.084 144 Y CA -0.889 56.805 58.100 -0.677 0.000 1.068 144 Y CB 2.374 40.233 38.460 -1.001 0.000 1.294 144 Y HN 0.468 nan 8.280 nan 0.000 0.480 145 Q N 0.326 120.079 119.800 -0.078 0.000 2.377 145 Q HA 0.437 4.778 4.340 0.001 0.000 0.279 145 Q C -2.234 173.807 176.000 0.068 0.000 1.049 145 Q CA -0.860 54.975 55.803 0.054 0.000 0.825 145 Q CB 1.931 30.685 28.738 0.026 0.000 1.401 145 Q HN 0.701 nan 8.270 nan 0.000 0.404 146 Y N 2.033 122.414 120.300 0.135 0.000 2.309 146 Y HA 0.210 4.761 4.550 0.001 0.000 0.327 146 Y C 0.903 176.824 175.900 0.036 0.000 1.172 146 Y CA 0.356 58.513 58.100 0.095 0.000 1.280 146 Y CB 1.062 39.590 38.460 0.114 0.000 1.234 146 Y HN 0.730 nan 8.280 nan 0.000 0.512 147 N N 0.556 119.338 118.700 0.136 0.000 2.407 147 N HA 0.046 4.786 4.740 0.001 0.000 0.182 147 N C -0.197 175.395 175.510 0.135 0.000 1.079 147 N CA 0.529 53.635 53.050 0.093 0.000 0.882 147 N CB 0.490 38.995 38.487 0.030 0.000 1.106 147 N HN 0.393 nan 8.380 nan 0.000 0.461 148 V N -1.254 118.778 119.914 0.196 0.000 3.267 148 V HA 0.516 4.636 4.120 0.001 0.000 0.317 148 V C 0.411 176.672 176.094 0.278 0.000 1.131 148 V CA -1.119 61.321 62.300 0.232 0.000 1.031 148 V CB 1.036 33.005 31.823 0.244 0.000 1.159 148 V HN -0.118 nan 8.190 nan 0.000 0.454 149 L N 3.271 124.653 121.223 0.264 0.000 2.462 149 L HA 0.335 4.676 4.340 0.001 0.000 0.272 149 L C -2.094 174.892 176.870 0.194 0.000 1.166 149 L CA -1.137 53.797 54.840 0.157 0.000 0.880 149 L CB 0.688 42.775 42.059 0.046 0.000 1.142 149 L HN 0.564 nan 8.230 nan 0.000 0.473 150 P HA 0.141 nan 4.420 nan 0.000 0.290 150 P C -1.300 175.972 177.300 -0.047 0.000 1.276 150 P CA -0.728 62.248 63.100 -0.207 0.000 0.808 150 P CB 0.987 32.108 31.700 -0.966 0.000 0.966 151 Q N 1.425 121.298 119.800 0.122 0.000 2.300 151 Q HA 0.333 4.674 4.340 0.001 0.000 0.280 151 Q C 1.153 177.260 176.000 0.178 0.000 1.033 151 Q CA 0.763 56.628 55.803 0.103 0.000 0.903 151 Q CB -0.003 28.744 28.738 0.015 0.000 1.195 151 Q HN 0.904 nan 8.270 nan 0.000 0.386 152 G N 1.960 110.858 108.800 0.163 0.000 2.238 152 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 152 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 152 G C -0.603 174.443 174.900 0.244 0.000 0.996 152 G CA -0.308 44.967 45.100 0.292 0.000 0.632 152 G HN 0.646 nan 8.290 nan 0.000 0.503 153 W N 2.440 123.552 121.300 -0.314 0.000 2.261 153 W HA 0.665 5.326 4.660 0.001 0.000 0.323 153 W C 1.300 177.592 176.519 -0.379 0.000 1.243 153 W CA -0.522 56.494 57.345 -0.549 0.000 1.210 153 W CB 1.215 30.177 29.460 -0.830 0.000 1.149 153 W HN 0.094 nan 8.180 nan 0.000 0.562 154 K N 2.672 122.635 120.400 -0.729 0.000 2.211 154 K HA -0.056 4.265 4.320 0.001 0.000 0.203 154 K C 1.818 177.594 176.600 -1.374 0.000 1.050 154 K CA 1.793 57.601 56.287 -0.799 0.000 0.945 154 K CB -0.418 31.786 32.500 -0.493 0.000 0.732 154 K HN 0.720 nan 8.250 nan 0.000 0.451 155 G N -0.465 106.792 108.800 -2.572 0.000 2.511 155 G HA2 -0.128 3.833 3.960 0.001 0.000 0.217 155 G HA3 -0.128 3.833 3.960 0.001 0.000 0.217 155 G C 1.322 175.193 174.900 -1.715 0.000 1.133 155 G CA 0.424 43.731 45.100 -2.989 0.000 0.792 155 G HN 0.260 nan 8.290 nan 0.000 0.539 156 S N 1.485 116.525 115.700 -1.100 0.000 2.356 156 S HA -0.074 4.397 4.470 0.001 0.000 0.223 156 S C 0.344 174.409 174.600 -0.892 0.000 1.032 156 S CA 1.583 59.215 58.200 -0.946 0.000 1.005 156 S CB -0.652 61.773 63.200 -1.292 0.000 0.867 156 S HN 0.402 nan 8.310 nan 0.000 0.449 157 P HA 0.002 nan 4.420 nan 0.000 0.218 157 P C 1.121 178.328 177.300 -0.154 0.000 1.149 157 P CA 1.319 64.348 63.100 -0.118 0.000 0.817 157 P CB -0.012 31.598 31.700 -0.150 0.000 0.785 158 A N 0.682 123.226 122.820 -0.459 0.000 1.843 158 A HA -0.062 4.258 4.320 0.001 0.000 0.213 158 A C 2.233 179.736 177.584 -0.135 0.000 1.202 158 A CA 1.031 52.859 52.037 -0.350 0.000 0.607 158 A CB -1.379 17.181 19.000 -0.732 0.000 0.847 158 A HN -0.020 nan 8.150 nan 0.000 0.445 159 I N -1.275 119.155 120.570 -0.232 0.000 2.502 159 I HA -0.204 3.967 4.170 0.001 0.000 0.258 159 I C 2.029 178.222 176.117 0.127 0.000 1.172 159 I CA 1.500 62.833 61.300 0.055 0.000 1.430 159 I CB -1.067 36.971 38.000 0.063 0.000 1.086 159 I HN 0.427 nan 8.210 nan 0.000 0.440 160 F N 0.917 120.838 119.950 -0.047 0.000 2.714 160 F HA 0.050 4.578 4.527 0.001 0.000 0.294 160 F C 2.411 178.235 175.800 0.039 0.000 1.120 160 F CA 0.301 58.337 58.000 0.059 0.000 1.398 160 F CB -0.130 39.007 39.000 0.228 0.000 1.120 160 F HN 0.003 nan 8.300 nan 0.000 0.589 161 Q N 0.307 120.149 119.800 0.071 0.000 2.197 161 Q HA -0.273 4.068 4.340 0.001 0.000 0.211 161 Q C 2.276 178.213 176.000 -0.104 0.000 0.993 161 Q CA 2.411 58.211 55.803 -0.005 0.000 0.883 161 Q CB -0.109 28.631 28.738 0.003 0.000 0.916 161 Q HN 0.565 nan 8.270 nan 0.000 0.418 162 S N -0.684 114.941 115.700 -0.124 0.000 2.344 162 S HA -0.141 4.330 4.470 0.001 0.000 0.217 162 S C 2.101 176.560 174.600 -0.235 0.000 1.033 162 S CA 1.478 59.598 58.200 -0.133 0.000 1.017 162 S CB -0.699 62.450 63.200 -0.084 0.000 0.941 162 S HN 0.309 nan 8.310 nan 0.000 0.430 163 S N 1.405 116.844 115.700 -0.435 0.000 2.400 163 S HA -0.027 4.444 4.470 0.001 0.000 0.232 163 S C 1.826 176.112 174.600 -0.522 0.000 1.025 163 S CA 1.588 59.471 58.200 -0.529 0.000 0.993 163 S CB -0.525 62.160 63.200 -0.857 0.000 0.808 163 S HN 0.494 nan 8.310 nan 0.000 0.478 164 M N 1.644 120.904 119.600 -0.568 0.000 2.156 164 M HA -0.043 4.438 4.480 0.001 0.000 0.264 164 M C 2.003 178.182 176.300 -0.201 0.000 1.067 164 M CA 1.587 56.734 55.300 -0.255 0.000 1.131 164 M CB -1.310 31.279 32.600 -0.018 0.000 1.368 164 M HN 0.146 nan 8.290 nan 0.000 0.416 165 T N 1.291 115.752 114.554 -0.156 0.000 2.699 165 T HA -0.223 4.127 4.350 0.001 0.000 0.268 165 T C 1.557 176.179 174.700 -0.129 0.000 1.036 165 T CA 2.161 64.198 62.100 -0.104 0.000 1.147 165 T CB -0.426 68.403 68.868 -0.064 0.000 0.862 165 T HN 0.629 nan 8.240 nan 0.000 0.446 166 K N 0.974 121.283 120.400 -0.152 0.000 2.296 166 K HA 0.168 4.489 4.320 0.001 0.000 0.200 166 K C 1.896 178.165 176.600 -0.552 0.000 1.048 166 K CA 0.871 57.075 56.287 -0.138 0.000 0.966 166 K CB -0.315 32.213 32.500 0.046 0.000 0.754 166 K HN 0.281 nan 8.250 nan 0.000 0.466 167 I N 1.271 121.378 120.570 -0.772 0.000 3.444 167 I HA -0.076 4.095 4.170 0.001 0.000 0.287 167 I C 1.367 176.916 176.117 -0.947 0.000 1.302 167 I CA 0.658 61.041 61.300 -1.528 0.000 1.368 167 I CB -0.043 37.470 38.000 -0.811 0.000 1.048 167 I HN 0.192 nan 8.210 nan 0.000 0.487 168 L N -0.966 119.999 121.223 -0.430 0.000 2.717 168 L HA 0.124 4.464 4.340 0.001 0.000 0.239 168 L C 2.205 179.087 176.870 0.019 0.000 1.086 168 L CA -0.013 54.751 54.840 -0.127 0.000 0.897 168 L CB -0.244 41.765 42.059 -0.083 0.000 1.214 168 L HN 0.008 nan 8.230 nan 0.000 0.508 169 E N 1.185 121.380 120.200 -0.009 0.000 2.108 169 E HA -0.220 4.131 4.350 0.001 0.000 0.203 169 E C -0.768 175.898 176.600 0.110 0.000 1.022 169 E CA 1.575 58.012 56.400 0.062 0.000 0.823 169 E CB -1.625 28.122 29.700 0.078 0.000 0.744 169 E HN 0.374 nan 8.360 nan 0.000 0.456 170 P HA -0.035 nan 4.420 nan 0.000 0.259 170 P C 0.338 177.640 177.300 0.002 0.000 1.307 170 P CA 0.757 63.952 63.100 0.158 0.000 0.768 170 P CB -0.249 31.707 31.700 0.428 0.000 1.199 171 F N -0.711 119.129 119.950 -0.184 0.000 2.455 171 F HA 0.187 4.715 4.527 0.001 0.000 0.278 171 F C 1.764 177.511 175.800 -0.088 0.000 0.887 171 F CA 0.286 58.167 58.000 -0.198 0.000 1.104 171 F CB 0.258 39.119 39.000 -0.232 0.000 0.949 171 F HN -0.379 nan 8.300 nan 0.000 0.750 172 K N 0.567 121.046 120.400 0.130 0.000 2.147 172 K HA -0.095 4.226 4.320 0.001 0.000 0.205 172 K C 1.699 178.303 176.600 0.005 0.000 1.049 172 K CA 0.927 57.252 56.287 0.063 0.000 0.936 172 K CB -0.110 32.430 32.500 0.067 0.000 0.722 172 K HN 0.190 nan 8.250 nan 0.000 0.446 173 K N 1.189 121.592 120.400 0.004 0.000 2.103 173 K HA -0.148 4.173 4.320 0.001 0.000 0.204 173 K C 2.193 178.766 176.600 -0.045 0.000 1.052 173 K CA 1.048 57.330 56.287 -0.008 0.000 0.945 173 K CB -0.057 32.450 32.500 0.013 0.000 0.722 173 K HN 0.297 nan 8.250 nan 0.000 0.443 174 Q N 0.989 120.734 119.800 -0.091 0.000 1.965 174 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 174 Q C 0.113 176.013 176.000 -0.167 0.000 0.981 174 Q CA 1.047 56.761 55.803 -0.148 0.000 0.834 174 Q CB 0.220 28.813 28.738 -0.241 0.000 0.900 174 Q HN 0.147 nan 8.270 nan 0.000 0.426 175 N N 2.087 120.650 118.700 -0.228 0.000 2.521 175 N HA 0.101 4.842 4.740 0.001 0.000 0.236 175 N C -1.974 173.486 175.510 -0.083 0.000 1.067 175 N CA -0.843 52.101 53.050 -0.177 0.000 0.939 175 N CB 1.495 39.830 38.487 -0.253 0.000 1.201 175 N HN 0.393 nan 8.380 nan 0.000 0.511 176 P HA -0.112 nan 4.420 nan 0.000 0.217 176 P C 0.415 177.703 177.300 -0.020 0.000 1.151 176 P CA 1.195 64.276 63.100 -0.032 0.000 0.828 176 P CB 0.399 32.081 31.700 -0.031 0.000 0.788 177 D N -0.555 119.832 120.400 -0.022 0.000 2.289 177 D HA -0.010 4.631 4.640 0.001 0.000 0.207 177 D C 1.165 177.466 176.300 0.001 0.000 0.966 177 D CA 0.060 54.052 54.000 -0.014 0.000 0.868 177 D CB -0.938 39.851 40.800 -0.017 0.000 0.943 177 D HN 0.191 nan 8.370 nan 0.000 0.514 178 I N 1.003 121.581 120.570 0.013 0.000 2.754 178 I HA 0.069 4.240 4.170 0.001 0.000 0.285 178 I C -0.159 175.994 176.117 0.060 0.000 1.166 178 I CA -0.383 60.948 61.300 0.052 0.000 1.417 178 I CB 1.265 39.313 38.000 0.080 0.000 1.382 178 I HN -0.144 nan 8.210 nan 0.000 0.588 179 V N 7.554 127.512 119.914 0.074 0.000 2.459 179 V HA 0.463 4.584 4.120 0.001 0.000 0.295 179 V C -0.161 176.004 176.094 0.118 0.000 1.029 179 V CA -0.508 61.833 62.300 0.069 0.000 0.874 179 V CB 1.853 33.689 31.823 0.023 0.000 0.985 179 V HN 0.427 nan 8.190 nan 0.000 0.438 180 I N 4.721 125.370 120.570 0.131 0.000 2.466 180 I HA 0.503 4.674 4.170 0.001 0.000 0.289 180 I C -1.346 174.909 176.117 0.230 0.000 1.026 180 I CA -0.526 60.875 61.300 0.168 0.000 1.078 180 I CB 1.862 39.938 38.000 0.127 0.000 1.249 180 I HN 0.642 nan 8.210 nan 0.000 0.429 181 Y N 5.804 126.179 120.300 0.125 0.000 2.512 181 Y HA 0.554 5.105 4.550 0.001 0.000 0.348 181 Y C -1.001 175.046 175.900 0.244 0.000 0.990 181 Y CA -0.672 57.507 58.100 0.133 0.000 1.033 181 Y CB 1.811 40.302 38.460 0.052 0.000 1.259 181 Y HN 0.540 nan 8.280 nan 0.000 0.461 182 Q N 4.296 123.793 119.800 -0.505 0.000 2.353 182 Q HA 0.450 4.791 4.340 0.001 0.000 0.268 182 Q C -2.381 173.339 176.000 -0.468 0.000 1.045 182 Q CA -0.888 54.748 55.803 -0.278 0.000 0.811 182 Q CB 2.174 30.829 28.738 -0.138 0.000 1.305 182 Q HN 0.762 nan 8.270 nan 0.000 0.447 183 Y N 5.468 125.695 120.300 -0.121 0.000 2.401 183 Y HA 0.295 4.845 4.550 0.001 0.000 0.330 183 Y C -0.092 175.901 175.900 0.155 0.000 1.071 183 Y CA -0.531 57.566 58.100 -0.005 0.000 1.049 183 Y CB 1.033 39.591 38.460 0.163 0.000 1.239 183 Y HN 0.907 nan 8.280 nan 0.000 0.437 184 M N 1.594 120.912 119.600 -0.470 0.000 7.319 184 M HA -0.374 4.106 4.480 0.001 0.000 0.321 184 M C 0.325 176.672 176.300 0.077 0.000 0.480 184 M CA 2.325 57.523 55.300 -0.170 0.000 1.311 184 M CB -1.475 31.149 32.600 0.039 0.000 0.421 184 M HN 0.796 nan 8.290 nan 0.000 0.811 185 D N 1.224 121.701 120.400 0.129 0.000 2.358 185 D HA 0.220 4.861 4.640 0.001 0.000 0.224 185 D C -0.321 175.937 176.300 -0.069 0.000 1.123 185 D CA 0.221 54.212 54.000 -0.014 0.000 0.833 185 D CB 0.001 40.777 40.800 -0.040 0.000 0.946 185 D HN 0.373 nan 8.370 nan 0.000 0.505 186 D N 0.825 121.264 120.400 0.064 0.000 2.252 186 D HA 0.347 4.988 4.640 0.001 0.000 0.245 186 D C -0.473 175.830 176.300 0.006 0.000 1.009 186 D CA -0.594 53.408 54.000 0.003 0.000 0.870 186 D CB 2.647 43.478 40.800 0.051 0.000 1.251 186 D HN -0.105 nan 8.370 nan 0.000 0.460 187 L N 2.173 123.329 121.223 -0.112 0.000 2.333 187 L HA 0.350 4.691 4.340 0.001 0.000 0.280 187 L C -1.514 175.325 176.870 -0.052 0.000 1.004 187 L CA -0.610 54.222 54.840 -0.013 0.000 0.820 187 L CB 0.935 42.961 42.059 -0.055 0.000 1.247 187 L HN 0.239 nan 8.230 nan 0.000 0.416 188 Y N 4.013 124.382 120.300 0.116 0.000 2.328 188 Y HA 0.573 5.124 4.550 0.001 0.000 0.337 188 Y C -0.217 175.757 175.900 0.124 0.000 0.966 188 Y CA -0.832 57.356 58.100 0.146 0.000 1.136 188 Y CB 1.755 40.356 38.460 0.235 0.000 1.170 188 Y HN 0.206 nan 8.280 nan 0.000 0.470 189 V N 3.745 123.788 119.914 0.215 0.000 2.326 189 V HA 0.664 4.785 4.120 0.001 0.000 0.281 189 V C 0.397 176.622 176.094 0.218 0.000 1.015 189 V CA -0.765 61.644 62.300 0.181 0.000 0.823 189 V CB 1.050 32.940 31.823 0.112 0.000 1.009 189 V HN 0.929 nan 8.190 nan 0.000 0.436 190 G N 3.030 111.942 108.800 0.187 0.000 2.434 190 G HA2 0.784 4.745 3.960 0.001 0.000 0.330 190 G HA3 0.784 4.745 3.960 0.001 0.000 0.330 190 G C -0.336 174.649 174.900 0.142 0.000 1.155 190 G CA 0.075 45.263 45.100 0.145 0.000 0.917 190 G HN 0.989 nan 8.290 nan 0.000 0.493 191 S N -0.994 114.717 115.700 0.019 0.000 2.661 191 S HA 0.482 4.953 4.470 0.001 0.000 0.268 191 S C -1.214 173.300 174.600 -0.143 0.000 1.162 191 S CA -0.710 57.475 58.200 -0.024 0.000 0.817 191 S CB 2.049 65.313 63.200 0.106 0.000 1.141 191 S HN 0.320 nan 8.310 nan 0.000 0.477 192 D N 0.677 121.022 120.400 -0.091 0.000 2.571 192 D HA 0.382 5.023 4.640 0.001 0.000 0.239 192 D C 0.534 176.790 176.300 -0.073 0.000 1.267 192 D CA -0.034 53.913 54.000 -0.089 0.000 0.823 192 D CB 0.208 40.975 40.800 -0.055 0.000 1.056 192 D HN 0.416 nan 8.370 nan 0.000 0.494 193 L N 0.493 121.669 121.223 -0.079 0.000 2.859 193 L HA 0.323 4.664 4.340 0.001 0.000 0.181 193 L C 0.959 177.813 176.870 -0.026 0.000 1.196 193 L CA -0.582 54.249 54.840 -0.014 0.000 1.062 193 L CB 0.194 42.299 42.059 0.076 0.000 1.961 193 L HN -0.082 nan 8.230 nan 0.000 0.507 194 E N 0.030 120.249 120.200 0.033 0.000 2.256 194 E HA 0.170 4.521 4.350 0.001 0.000 0.267 194 E C 0.534 177.193 176.600 0.100 0.000 0.892 194 E CA -0.746 55.676 56.400 0.037 0.000 0.775 194 E CB 2.324 32.038 29.700 0.024 0.000 1.207 194 E HN 0.463 nan 8.360 nan 0.000 0.420 195 I N 2.840 123.470 120.570 0.099 0.000 2.178 195 I HA -0.347 3.824 4.170 0.001 0.000 0.243 195 I C 1.809 177.998 176.117 0.120 0.000 1.019 195 I CA 2.921 64.303 61.300 0.137 0.000 1.294 195 I CB -0.817 37.238 38.000 0.091 0.000 0.996 195 I HN 0.806 nan 8.210 nan 0.000 0.415 196 G N -0.189 108.659 108.800 0.080 0.000 2.514 196 G HA2 -0.335 3.626 3.960 0.001 0.000 0.217 196 G HA3 -0.335 3.626 3.960 0.001 0.000 0.217 196 G C 1.338 176.280 174.900 0.069 0.000 1.198 196 G CA 0.955 46.093 45.100 0.062 0.000 0.780 196 G HN 0.742 nan 8.290 nan 0.000 0.565 197 Q N -0.841 119.007 119.800 0.078 0.000 2.403 197 Q HA 0.135 4.476 4.340 0.001 0.000 0.203 197 Q C 1.866 177.937 176.000 0.120 0.000 0.932 197 Q CA 0.961 56.811 55.803 0.077 0.000 0.945 197 Q CB -0.070 28.703 28.738 0.058 0.000 1.045 197 Q HN 0.643 nan 8.270 nan 0.000 0.511 198 H N 0.890 119.984 119.070 0.040 0.000 2.553 198 H HA 0.206 4.763 4.556 0.001 0.000 0.276 198 H C 2.018 177.380 175.328 0.057 0.000 0.979 198 H CA 0.761 56.838 56.048 0.049 0.000 1.268 198 H CB 0.423 30.216 29.762 0.051 0.000 1.450 198 H HN 0.180 nan 8.280 nan 0.000 0.527 199 R N -0.490 120.028 120.500 0.029 0.000 2.057 199 R HA -0.064 4.277 4.340 0.001 0.000 0.229 199 R C 1.503 177.791 176.300 -0.019 0.000 1.136 199 R CA 1.854 57.946 56.100 -0.015 0.000 0.952 199 R CB -0.249 30.078 30.300 0.045 0.000 0.848 199 R HN 0.265 nan 8.270 nan 0.000 0.430 200 T N 1.542 116.104 114.554 0.013 0.000 2.867 200 T HA -0.026 4.325 4.350 0.001 0.000 0.268 200 T C 1.626 176.344 174.700 0.030 0.000 1.057 200 T CA 0.726 62.839 62.100 0.021 0.000 1.136 200 T CB -0.003 68.882 68.868 0.029 0.000 0.874 200 T HN 0.124 nan 8.240 nan 0.000 0.466 201 K N 1.052 121.468 120.400 0.027 0.000 2.209 201 K HA 0.034 4.355 4.320 0.001 0.000 0.204 201 K C 2.033 178.696 176.600 0.104 0.000 1.048 201 K CA 0.630 56.958 56.287 0.067 0.000 0.940 201 K CB -0.367 32.168 32.500 0.058 0.000 0.729 201 K HN 0.332 nan 8.250 nan 0.000 0.451 202 I N 0.764 121.336 120.570 0.002 0.000 2.315 202 I HA -0.200 3.970 4.170 0.001 0.000 0.248 202 I C 2.221 178.345 176.117 0.013 0.000 1.117 202 I CA 1.039 62.331 61.300 -0.015 0.000 1.404 202 I CB -0.861 37.087 38.000 -0.086 0.000 1.071 202 I HN 0.151 nan 8.210 nan 0.000 0.419 203 E N 1.360 121.577 120.200 0.027 0.000 2.130 203 E HA -0.275 4.076 4.350 0.001 0.000 0.196 203 E C 2.111 178.746 176.600 0.060 0.000 0.998 203 E CA 1.624 58.045 56.400 0.034 0.000 0.806 203 E CB -0.181 29.539 29.700 0.033 0.000 0.738 203 E HN 0.465 nan 8.360 nan 0.000 0.459 204 E N -0.719 119.551 120.200 0.117 0.000 2.077 204 E HA -0.193 4.158 4.350 0.001 0.000 0.193 204 E C 1.851 178.529 176.600 0.129 0.000 0.989 204 E CA 1.142 57.666 56.400 0.207 0.000 0.800 204 E CB -0.160 29.740 29.700 0.333 0.000 0.746 204 E HN 0.308 nan 8.360 nan 0.000 0.452 205 L N 1.052 122.225 121.223 -0.083 0.000 2.395 205 L HA -0.015 4.326 4.340 0.001 0.000 0.218 205 L C 2.190 178.918 176.870 -0.237 0.000 1.130 205 L CA 1.261 55.742 54.840 -0.599 0.000 0.826 205 L CB -0.332 41.307 42.059 -0.700 0.000 0.941 205 L HN 0.016 nan 8.230 nan 0.000 0.451 206 R N -1.087 119.365 120.500 -0.081 0.000 2.055 206 R HA -0.161 4.180 4.340 0.001 0.000 0.226 206 R C 2.241 178.546 176.300 0.008 0.000 1.135 206 R CA 1.355 57.438 56.100 -0.029 0.000 0.959 206 R CB -0.246 30.059 30.300 0.008 0.000 0.854 206 R HN 0.354 nan 8.270 nan 0.000 0.431 207 Q N -0.009 119.818 119.800 0.044 0.000 2.079 207 Q HA -0.198 4.142 4.340 0.001 0.000 0.200 207 Q C 1.870 177.938 176.000 0.113 0.000 0.974 207 Q CA 2.218 58.065 55.803 0.073 0.000 0.840 207 Q CB -0.472 28.318 28.738 0.086 0.000 0.898 207 Q HN 0.561 nan 8.270 nan 0.000 0.430 208 H N -0.216 118.874 119.070 0.034 0.000 2.289 208 H HA -0.138 4.419 4.556 0.001 0.000 0.294 208 H C 1.619 177.012 175.328 0.108 0.000 1.095 208 H CA 2.346 58.445 56.048 0.086 0.000 1.256 208 H CB -0.370 29.374 29.762 -0.029 0.000 1.359 208 H HN 0.316 nan 8.280 nan 0.000 0.487 209 L N -0.260 120.906 121.223 -0.096 0.000 2.201 209 L HA -0.112 4.229 4.340 0.001 0.000 0.212 209 L C 2.555 179.426 176.870 0.002 0.000 1.105 209 L CA 0.710 55.465 54.840 -0.141 0.000 0.775 209 L CB -0.249 41.734 42.059 -0.127 0.000 0.913 209 L HN 0.337 nan 8.230 nan 0.000 0.440 210 L N 0.509 121.752 121.223 0.034 0.000 2.478 210 L HA -0.100 4.240 4.340 0.001 0.000 0.223 210 L C 2.592 179.510 176.870 0.079 0.000 1.140 210 L CA 0.582 55.456 54.840 0.056 0.000 0.842 210 L CB -0.107 41.980 42.059 0.047 0.000 0.953 210 L HN 0.322 nan 8.230 nan 0.000 0.452 211 R N -2.611 117.956 120.500 0.112 0.000 2.334 211 R HA -0.051 4.289 4.340 0.001 0.000 0.216 211 R C 0.181 176.512 176.300 0.052 0.000 0.905 211 R CA -0.127 56.020 56.100 0.079 0.000 1.064 211 R CB -0.236 30.107 30.300 0.071 0.000 1.046 211 R HN 0.203 nan 8.270 nan 0.000 0.508 212 W N 1.442 122.678 121.300 -0.107 0.000 2.220 212 W HA 0.445 5.106 4.660 0.002 0.000 0.380 212 W C 0.716 177.223 176.519 -0.021 0.000 0.682 212 W CA 0.090 57.388 57.345 -0.080 0.000 2.400 212 W CB 0.685 30.071 29.460 -0.123 0.000 1.825 212 W HN 0.411 nan 8.180 nan 0.000 0.687 213 G N -0.167 108.704 108.800 0.119 0.000 2.184 213 G HA2 -0.320 3.641 3.960 0.001 0.000 0.264 213 G HA3 -0.320 3.641 3.960 0.001 0.000 0.264 213 G C 0.326 175.293 174.900 0.112 0.000 0.975 213 G CA 0.292 45.454 45.100 0.102 0.000 0.642 213 G HN 0.282 nan 8.290 nan 0.000 0.536 228 L N 0.315 121.540 121.223 0.003 0.000 2.085 228 L HA -0.223 4.117 4.340 0.001 0.000 0.218 228 L C 1.291 178.204 176.870 0.072 0.000 1.080 228 L CA 1.994 56.855 54.840 0.036 0.000 0.776 228 L CB -0.296 41.820 42.059 0.096 0.000 0.891 228 L HN 0.472 nan 8.230 nan 0.000 0.437 229 W N 0.501 121.795 121.300 -0.010 0.000 2.253 229 W HA 0.597 5.258 4.660 0.002 0.000 0.348 229 W C -1.017 175.508 176.519 0.010 0.000 0.920 229 W CA -0.761 56.576 57.345 -0.013 0.000 1.518 229 W CB -0.110 29.334 29.460 -0.025 0.000 1.446 229 W HN -0.037 nan 8.180 nan 0.000 0.361 230 M N 3.540 123.127 119.600 -0.021 0.000 2.365 230 M HA 0.513 4.993 4.480 0.001 0.000 0.287 230 M C -0.418 175.884 176.300 0.003 0.000 1.154 230 M CA -0.413 54.851 55.300 -0.061 0.000 0.941 230 M CB 2.878 35.370 32.600 -0.180 0.000 1.704 230 M HN 0.450 nan 8.290 nan 0.000 0.479 231 G N 1.760 110.591 108.800 0.050 0.000 2.733 231 G HA2 0.547 4.508 3.960 0.001 0.000 0.289 231 G HA3 0.547 4.508 3.960 0.001 0.000 0.289 231 G C -2.476 172.500 174.900 0.125 0.000 1.473 231 G CA -0.273 44.861 45.100 0.057 0.000 1.123 231 G HN 0.567 nan 8.290 nan 0.000 0.544 232 Y N 2.323 122.598 120.300 -0.042 0.000 2.326 232 Y HA 0.431 4.981 4.550 0.001 0.000 0.337 232 Y C 0.525 176.414 175.900 -0.019 0.000 1.023 232 Y CA -1.266 56.821 58.100 -0.023 0.000 1.143 232 Y CB 0.989 39.431 38.460 -0.029 0.000 1.183 232 Y HN 0.555 nan 8.280 nan 0.000 0.485 233 E N 6.322 126.354 120.200 -0.281 0.000 2.343 233 E HA 0.500 4.851 4.350 0.001 0.000 0.269 233 E C -1.136 175.019 176.600 -0.742 0.000 1.047 233 E CA -0.441 55.739 56.400 -0.366 0.000 0.874 233 E CB 1.539 31.161 29.700 -0.130 0.000 1.033 233 E HN 0.595 nan 8.360 nan 0.000 0.409 234 L N 1.947 122.724 121.223 -0.744 0.000 2.465 234 L HA 0.432 4.773 4.340 0.001 0.000 0.257 234 L C -0.869 175.445 176.870 -0.926 0.000 0.988 234 L CA -0.852 53.546 54.840 -0.736 0.000 0.827 234 L CB 2.222 44.080 42.059 -0.334 0.000 1.397 234 L HN 0.600 nan 8.230 nan 0.000 0.410 235 H N 0.259 119.303 119.070 -0.044 0.000 3.243 235 H HA 0.277 4.834 4.556 0.001 0.000 0.330 235 H C -2.754 172.566 175.328 -0.012 0.000 1.269 235 H CA -1.380 54.649 56.048 -0.031 0.000 1.632 235 H CB 1.059 30.804 29.762 -0.029 0.000 1.982 235 H HN 0.309 nan 8.280 nan 0.000 0.536 236 P HA 0.130 nan 4.420 nan 0.000 0.279 236 P C -0.194 177.130 177.300 0.040 0.000 1.239 236 P CA -0.070 63.055 63.100 0.042 0.000 0.789 236 P CB 1.269 32.958 31.700 -0.019 0.000 0.933 237 D N -0.361 120.073 120.400 0.056 0.000 2.668 237 D HA 0.316 4.957 4.640 0.001 0.000 0.249 237 D C -0.047 176.268 176.300 0.024 0.000 1.150 237 D CA -0.846 53.181 54.000 0.044 0.000 1.090 237 D CB 0.419 41.266 40.800 0.078 0.000 1.244 237 D HN 0.197 nan 8.370 nan 0.000 0.636 238 K N -0.836 119.571 120.400 0.011 0.000 2.156 238 K HA 0.058 4.378 4.320 0.001 0.000 0.242 238 K C -0.705 175.943 176.600 0.079 0.000 1.033 238 K CA -0.486 55.756 56.287 -0.075 0.000 0.878 238 K CB 0.056 32.437 32.500 -0.199 0.000 1.057 238 K HN 0.700 nan 8.250 nan 0.000 0.505 239 W N 0.396 121.718 121.300 0.037 0.000 6.357 239 W HA -0.196 4.465 4.660 0.002 0.000 0.428 239 W C 1.276 177.826 176.519 0.051 0.000 1.724 239 W CA 0.620 57.994 57.345 0.050 0.000 1.048 239 W CB -1.973 27.522 29.460 0.058 0.000 2.943 239 W HN 0.891 nan 8.180 nan 0.000 1.407 240 T N -0.381 114.294 114.554 0.201 0.000 2.680 240 T HA -0.175 4.176 4.350 0.001 0.000 0.268 240 T C 0.747 175.572 174.700 0.207 0.000 1.033 240 T CA 2.011 64.203 62.100 0.154 0.000 1.152 240 T CB 0.023 68.949 68.868 0.097 0.000 0.859 240 T HN 0.058 nan 8.240 nan 0.000 0.452 241 V N 4.120 124.194 119.914 0.267 0.000 2.349 241 V HA 0.361 4.482 4.120 0.001 0.000 0.284 241 V C -0.524 175.734 176.094 0.272 0.000 1.014 241 V CA -1.098 61.346 62.300 0.241 0.000 0.826 241 V CB 1.567 33.523 31.823 0.222 0.000 1.009 241 V HN 0.353 nan 8.190 nan 0.000 0.431 242 Q N 6.008 125.910 119.800 0.170 0.000 2.361 242 Q HA 0.207 4.548 4.340 0.001 0.000 0.276 242 Q C -2.104 173.831 176.000 -0.109 0.000 1.022 242 Q CA -1.300 54.500 55.803 -0.005 0.000 0.898 242 Q CB 0.234 28.974 28.738 0.002 0.000 1.246 242 Q HN 0.459 nan 8.270 nan 0.000 0.410 243 P HA 0.165 nan 4.420 nan 0.000 0.272 243 P C -0.430 176.784 177.300 -0.143 0.000 1.223 243 P CA -0.314 62.573 63.100 -0.354 0.000 0.784 243 P CB 0.697 31.976 31.700 -0.701 0.000 0.923 244 I N 2.530 123.064 120.570 -0.060 0.000 2.365 244 I HA 0.222 4.393 4.170 0.001 0.000 0.291 244 I C 0.733 176.816 176.117 -0.057 0.000 1.004 244 I CA -0.887 60.418 61.300 0.008 0.000 1.311 244 I CB 0.733 38.760 38.000 0.044 0.000 1.401 244 I HN 0.163 nan 8.210 nan 0.000 0.491 245 V N 5.643 125.542 119.914 -0.024 0.000 2.680 245 V HA 0.677 4.797 4.120 0.001 0.000 0.309 245 V C -0.490 175.608 176.094 0.006 0.000 1.052 245 V CA -0.852 61.429 62.300 -0.032 0.000 0.908 245 V CB 2.049 33.850 31.823 -0.038 0.000 1.001 245 V HN 0.524 nan 8.190 nan 0.000 0.431 246 L N 3.910 125.142 121.223 0.014 0.000 2.334 246 L HA 0.659 5.000 4.340 0.001 0.000 0.275 246 L C -2.076 174.846 176.870 0.087 0.000 1.036 246 L CA -1.774 53.105 54.840 0.065 0.000 0.807 246 L CB 1.335 43.434 42.059 0.066 0.000 1.231 246 L HN 0.493 nan 8.230 nan 0.000 0.438 247 P HA 0.098 nan 4.420 nan 0.000 0.272 247 P C -1.122 176.226 177.300 0.081 0.000 1.230 247 P CA -0.398 62.721 63.100 0.032 0.000 0.788 247 P CB 0.526 32.180 31.700 -0.077 0.000 0.949 248 E N 1.675 121.862 120.200 -0.022 0.000 2.235 248 E HA 0.290 4.641 4.350 0.001 0.000 0.252 248 E C -1.082 175.444 176.600 -0.123 0.000 0.886 248 E CA -0.730 55.688 56.400 0.030 0.000 0.767 248 E CB 0.645 30.365 29.700 0.033 0.000 1.205 248 E HN 0.297 nan 8.360 nan 0.000 0.421 249 K N 3.064 123.330 120.400 -0.224 0.000 2.400 249 K HA 0.320 4.640 4.320 0.001 0.000 0.246 249 K C -0.411 176.101 176.600 -0.146 0.000 0.995 249 K CA -0.926 55.120 56.287 -0.403 0.000 0.840 249 K CB 1.478 33.367 32.500 -1.019 0.000 1.293 249 K HN 0.332 nan 8.250 nan 0.000 0.445 250 D N 0.169 120.493 120.400 -0.127 0.000 2.338 250 D HA -0.025 4.616 4.640 0.001 0.000 0.208 250 D C -0.003 176.323 176.300 0.043 0.000 0.997 250 D CA 0.801 54.802 54.000 0.003 0.000 0.880 250 D CB 0.537 41.330 40.800 -0.012 0.000 0.980 250 D HN 0.486 nan 8.370 nan 0.000 0.509 251 S N -0.304 115.357 115.700 -0.064 0.000 2.672 251 S HA 0.507 4.978 4.470 0.001 0.000 0.291 251 S C -1.263 173.298 174.600 -0.065 0.000 1.145 251 S CA -0.977 57.239 58.200 0.028 0.000 1.013 251 S CB 0.870 64.075 63.200 0.007 0.000 1.017 251 S HN 0.002 nan 8.310 nan 0.000 0.487 252 W N 2.249 123.546 121.300 -0.005 0.000 2.520 252 W HA 0.603 5.264 4.660 0.000 0.000 0.323 252 W C 0.783 177.300 176.519 -0.003 0.000 1.062 252 W CA -0.427 56.916 57.345 -0.004 0.000 1.215 252 W CB 1.673 31.130 29.460 -0.005 0.000 1.340 252 W HN 0.815 nan 8.180 nan 0.000 0.516 253 T N -1.846 112.828 114.554 0.200 0.000 2.927 253 T HA 0.285 4.636 4.350 0.001 0.000 0.281 253 T C 0.800 175.586 174.700 0.143 0.000 0.998 253 T CA -0.787 61.387 62.100 0.124 0.000 1.019 253 T CB 1.314 70.222 68.868 0.066 0.000 1.061 253 T HN 0.225 nan 8.240 nan 0.000 0.518 254 V N 1.633 121.602 119.914 0.092 0.000 2.392 254 V HA -0.203 3.918 4.120 0.001 0.000 0.249 254 V C 2.889 179.032 176.094 0.082 0.000 1.059 254 V CA 2.245 64.589 62.300 0.074 0.000 1.051 254 V CB -1.069 30.782 31.823 0.047 0.000 0.658 254 V HN 1.006 nan 8.190 nan 0.000 0.455 255 N N -0.120 118.625 118.700 0.075 0.000 2.120 255 N HA -0.200 4.541 4.740 0.001 0.000 0.188 255 N C 1.509 177.084 175.510 0.108 0.000 1.024 255 N CA 1.639 54.732 53.050 0.072 0.000 0.852 255 N CB -0.048 38.468 38.487 0.047 0.000 1.003 255 N HN 0.495 nan 8.380 nan 0.000 0.424 256 D N 1.148 121.635 120.400 0.145 0.000 2.097 256 D HA -0.124 4.517 4.640 0.001 0.000 0.195 256 D C 2.058 178.551 176.300 0.321 0.000 0.989 256 D CA 0.665 54.803 54.000 0.230 0.000 0.827 256 D CB -0.161 40.797 40.800 0.264 0.000 0.966 256 D HN 0.330 nan 8.370 nan 0.000 0.456 257 I N 1.155 121.884 120.570 0.265 0.000 2.394 257 I HA -0.190 3.980 4.170 0.001 0.000 0.251 257 I C 2.343 178.507 176.117 0.078 0.000 1.136 257 I CA 0.981 62.352 61.300 0.118 0.000 1.425 257 I CB -1.070 36.939 38.000 0.016 0.000 1.079 257 I HN 0.079 nan 8.210 nan 0.000 0.425 258 Q N 0.793 120.646 119.800 0.089 0.000 2.050 258 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 258 Q C 2.266 178.331 176.000 0.110 0.000 0.980 258 Q CA 1.459 57.308 55.803 0.078 0.000 0.840 258 Q CB -0.018 28.762 28.738 0.070 0.000 0.898 258 Q HN 0.502 nan 8.270 nan 0.000 0.424 259 K N 0.339 120.824 120.400 0.141 0.000 2.025 259 K HA -0.157 4.164 4.320 0.001 0.000 0.207 259 K C 2.119 178.829 176.600 0.184 0.000 1.049 259 K CA 0.918 57.322 56.287 0.195 0.000 0.933 259 K CB -0.267 32.340 32.500 0.178 0.000 0.714 259 K HN 0.082 nan 8.250 nan 0.000 0.438 260 L N 1.400 122.718 121.223 0.157 0.000 2.013 260 L HA -0.193 4.148 4.340 0.001 0.000 0.212 260 L C 2.078 178.949 176.870 0.001 0.000 1.073 260 L CA 1.565 56.467 54.840 0.103 0.000 0.753 260 L CB -0.406 41.730 42.059 0.128 0.000 0.890 260 L HN -0.093 nan 8.230 nan 0.000 0.432 261 V N 0.161 120.074 119.914 -0.002 0.000 2.407 261 V HA -0.220 3.901 4.120 0.001 0.000 0.248 261 V C 2.609 178.668 176.094 -0.058 0.000 1.055 261 V CA 1.749 64.024 62.300 -0.041 0.000 1.049 261 V CB -1.570 30.239 31.823 -0.024 0.000 0.662 261 V HN 0.668 nan 8.190 nan 0.000 0.455 262 G N -0.567 108.237 108.800 0.007 0.000 2.418 262 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 262 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 262 G C 1.650 176.255 174.900 -0.493 0.000 1.158 262 G CA 1.092 46.194 45.100 0.003 0.000 0.771 262 G HN 0.489 nan 8.290 nan 0.000 0.545 263 K N -0.112 119.980 120.400 -0.513 0.000 2.025 263 K HA 0.087 4.408 4.320 0.001 0.000 0.207 263 K C 2.551 178.917 176.600 -0.390 0.000 1.049 263 K CA 0.729 56.502 56.287 -0.856 0.000 0.933 263 K CB -0.259 32.011 32.500 -0.384 0.000 0.714 263 K HN 0.320 nan 8.250 nan 0.000 0.438 264 L N 0.868 121.948 121.223 -0.238 0.000 2.017 264 L HA -0.217 4.124 4.340 0.001 0.000 0.208 264 L C 2.370 179.116 176.870 -0.207 0.000 1.073 264 L CA 1.507 56.236 54.840 -0.186 0.000 0.745 264 L CB -0.723 41.249 42.059 -0.145 0.000 0.894 264 L HN 0.339 nan 8.230 nan 0.000 0.432 265 N N -0.264 118.316 118.700 -0.200 0.000 2.094 265 N HA -0.285 4.455 4.740 0.001 0.000 0.191 265 N C 1.677 177.059 175.510 -0.213 0.000 1.023 265 N CA 1.687 54.633 53.050 -0.173 0.000 0.857 265 N CB -0.312 38.104 38.487 -0.119 0.000 1.013 265 N HN 0.411 nan 8.380 nan 0.000 0.426 266 W N 0.977 121.965 121.300 -0.521 0.000 2.381 266 W HA 0.095 4.756 4.660 0.002 0.000 0.301 266 W C 2.195 178.455 176.519 -0.431 0.000 1.205 266 W CA 1.947 58.967 57.345 -0.542 0.000 1.285 266 W CB -0.766 28.113 29.460 -0.968 0.000 1.133 266 W HN 0.125 nan 8.180 nan 0.000 0.521 267 A N 0.407 122.889 122.820 -0.562 0.000 2.019 267 A HA -0.203 4.118 4.320 0.001 0.000 0.219 267 A C 2.089 179.390 177.584 -0.471 0.000 1.164 267 A CA 2.328 53.953 52.037 -0.686 0.000 0.644 267 A CB -1.505 17.306 19.000 -0.314 0.000 0.805 267 A HN 0.441 nan 8.150 nan 0.000 0.449 268 S N -0.367 115.115 115.700 -0.365 0.000 2.500 268 S HA -0.192 4.279 4.470 0.001 0.000 0.239 268 S C 1.592 175.980 174.600 -0.353 0.000 0.989 268 S CA 1.225 59.266 58.200 -0.265 0.000 0.951 268 S CB -0.483 62.598 63.200 -0.200 0.000 0.759 268 S HN 0.722 nan 8.310 nan 0.000 0.523 269 Q N 0.025 119.476 119.800 -0.582 0.000 2.378 269 Q HA 0.268 4.609 4.340 0.001 0.000 0.205 269 Q C 1.707 177.272 176.000 -0.725 0.000 0.954 269 Q CA 0.838 56.196 55.803 -0.742 0.000 0.901 269 Q CB -0.129 27.823 28.738 -1.309 0.000 0.981 269 Q HN 0.646 nan 8.270 nan 0.000 0.483 270 I N -1.523 118.666 120.570 -0.635 0.000 3.172 270 I HA -0.011 4.160 4.170 0.001 0.000 0.278 270 I C -0.186 175.638 176.117 -0.489 0.000 1.174 270 I CA 0.325 61.316 61.300 -0.515 0.000 1.445 270 I CB 0.670 38.345 38.000 -0.541 0.000 1.175 270 I HN 0.019 nan 8.210 nan 0.000 0.447 271 Y N 0.986 121.118 120.300 -0.280 0.000 2.447 271 Y HA 0.314 4.865 4.550 0.001 0.000 0.325 271 Y C -1.932 173.859 175.900 -0.181 0.000 0.976 271 Y CA -2.146 55.845 58.100 -0.182 0.000 1.280 271 Y CB 0.669 39.033 38.460 -0.160 0.000 1.104 271 Y HN -0.123 nan 8.280 nan 0.000 0.486 272 P HA -0.155 nan 4.420 nan 0.000 0.216 272 P C 1.673 178.948 177.300 -0.041 0.000 1.150 272 P CA 1.804 64.865 63.100 -0.065 0.000 0.837 272 P CB 0.349 32.003 31.700 -0.077 0.000 0.786 273 G N -0.616 108.180 108.800 -0.006 0.000 2.535 273 G HA2 -0.133 3.828 3.960 0.001 0.000 0.218 273 G HA3 -0.133 3.828 3.960 0.001 0.000 0.218 273 G C 0.634 175.507 174.900 -0.044 0.000 1.122 273 G CA -0.015 45.074 45.100 -0.018 0.000 0.769 273 G HN 0.175 nan 8.290 nan 0.000 0.549 274 I N 1.229 121.764 120.570 -0.059 0.000 2.683 274 I HA 0.135 4.305 4.170 0.001 0.000 0.286 274 I C -0.069 175.994 176.117 -0.089 0.000 1.175 274 I CA 0.317 61.560 61.300 -0.093 0.000 1.429 274 I CB 0.640 38.566 38.000 -0.123 0.000 1.371 274 I HN -0.038 nan 8.210 nan 0.000 0.569 275 K N 5.908 126.255 120.400 -0.089 0.000 2.259 275 K HA 0.492 4.813 4.320 0.001 0.000 0.252 275 K C 0.157 176.703 176.600 -0.090 0.000 0.936 275 K CA -0.546 55.693 56.287 -0.081 0.000 0.810 275 K CB 2.798 35.257 32.500 -0.069 0.000 1.143 275 K HN 0.437 nan 8.250 nan 0.000 0.427 276 V N -0.619 119.245 119.914 -0.083 0.000 3.111 276 V HA 0.286 4.407 4.120 0.001 0.000 0.343 276 V C 1.469 177.517 176.094 -0.075 0.000 1.417 276 V CA -0.231 62.017 62.300 -0.087 0.000 1.142 276 V CB 0.404 32.174 31.823 -0.087 0.000 1.114 276 V HN 0.726 nan 8.190 nan 0.000 0.520 277 R N 0.439 120.898 120.500 -0.068 0.000 2.055 277 R HA -0.031 4.309 4.340 0.001 0.000 0.228 277 R C 2.184 178.446 176.300 -0.063 0.000 1.143 277 R CA 1.873 57.938 56.100 -0.058 0.000 0.945 277 R CB -0.075 30.195 30.300 -0.050 0.000 0.841 277 R HN 0.505 nan 8.270 nan 0.000 0.429 278 Q N 0.420 120.177 119.800 -0.071 0.000 2.291 278 Q HA -0.134 4.207 4.340 0.001 0.000 0.206 278 Q C 2.049 177.991 176.000 -0.096 0.000 0.976 278 Q CA 1.117 56.874 55.803 -0.077 0.000 0.875 278 Q CB 0.012 28.703 28.738 -0.079 0.000 0.927 278 Q HN 0.442 nan 8.270 nan 0.000 0.450 279 L N -0.705 120.452 121.223 -0.109 0.000 2.168 279 L HA -0.011 4.330 4.340 0.001 0.000 0.203 279 L C 2.322 179.135 176.870 -0.096 0.000 1.078 279 L CA 0.463 55.223 54.840 -0.133 0.000 0.780 279 L CB -0.240 41.724 42.059 -0.159 0.000 0.939 279 L HN -0.005 nan 8.230 nan 0.000 0.451 280 S N -0.177 115.479 115.700 -0.073 0.000 2.383 280 S HA -0.149 4.322 4.470 0.001 0.000 0.229 280 S C 1.950 176.524 174.600 -0.044 0.000 1.030 280 S CA 1.046 59.215 58.200 -0.050 0.000 1.002 280 S CB -0.109 63.066 63.200 -0.041 0.000 0.829 280 S HN 0.240 nan 8.310 nan 0.000 0.467 281 K N 1.523 121.893 120.400 -0.050 0.000 2.113 281 K HA -0.029 4.291 4.320 0.001 0.000 0.208 281 K C 1.864 178.440 176.600 -0.040 0.000 1.047 281 K CA 1.002 57.263 56.287 -0.042 0.000 0.928 281 K CB -0.859 31.614 32.500 -0.045 0.000 0.716 281 K HN 0.414 nan 8.250 nan 0.000 0.446 282 L N 0.544 121.736 121.223 -0.052 0.000 2.191 282 L HA -0.119 4.222 4.340 0.001 0.000 0.212 282 L C 2.305 179.158 176.870 -0.028 0.000 1.103 282 L CA 0.669 55.481 54.840 -0.046 0.000 0.769 282 L CB -0.406 41.612 42.059 -0.069 0.000 0.908 282 L HN 0.103 nan 8.230 nan 0.000 0.438 283 L N 0.089 121.297 121.223 -0.027 0.000 2.131 283 L HA -0.053 4.288 4.340 0.001 0.000 0.206 283 L C 1.453 178.318 176.870 -0.008 0.000 1.087 283 L CA 0.097 54.929 54.840 -0.012 0.000 0.767 283 L CB -0.416 41.637 42.059 -0.010 0.000 0.917 283 L HN 0.373 nan 8.230 nan 0.000 0.441 284 R N 1.740 122.232 120.500 -0.013 0.000 2.501 284 R HA 0.205 4.545 4.340 0.001 0.000 0.319 284 R C -0.162 176.134 176.300 -0.006 0.000 0.913 284 R CA 0.849 56.944 56.100 -0.010 0.000 1.104 284 R CB -0.533 29.759 30.300 -0.013 0.000 0.901 284 R HN 0.206 nan 8.270 nan 0.000 0.407 285 G N 2.386 111.184 108.800 -0.002 0.000 2.627 285 G HA2 -0.113 3.848 3.960 0.001 0.000 0.680 285 G HA3 -0.113 3.848 3.960 0.001 0.000 0.680 285 G C -0.451 174.451 174.900 0.003 0.000 1.341 285 G CA -0.425 44.675 45.100 -0.000 0.000 0.835 285 G HN 0.806 nan 8.290 nan 0.000 0.643 286 T N -0.109 114.448 114.554 0.004 0.000 3.162 286 T HA 0.605 4.956 4.350 0.001 0.000 0.316 286 T C 0.359 175.064 174.700 0.007 0.000 1.182 286 T CA -0.305 61.798 62.100 0.006 0.000 1.015 286 T CB 0.736 69.608 68.868 0.006 0.000 1.089 286 T HN 0.603 nan 8.240 nan 0.000 0.646 287 K N 1.509 121.915 120.400 0.010 0.000 2.139 287 K HA 0.720 5.041 4.320 0.001 0.000 0.243 287 K C 0.335 176.943 176.600 0.013 0.000 0.983 287 K CA -1.043 55.251 56.287 0.012 0.000 0.890 287 K CB 1.444 33.952 32.500 0.014 0.000 1.090 287 K HN 0.650 nan 8.250 nan 0.000 0.445 288 A N 1.899 124.727 122.820 0.013 0.000 2.477 288 A HA 0.069 4.390 4.320 0.001 0.000 0.246 288 A C 1.222 178.816 177.584 0.018 0.000 1.078 288 A CA -0.071 51.974 52.037 0.013 0.000 0.770 288 A CB -0.148 18.858 19.000 0.011 0.000 1.011 288 A HN 0.807 nan 8.150 nan 0.000 0.494 289 L N 1.866 123.100 121.223 0.017 0.000 2.127 289 L HA -0.160 4.181 4.340 0.001 0.000 0.211 289 L C 2.473 179.359 176.870 0.025 0.000 1.089 289 L CA 2.030 56.883 54.840 0.023 0.000 0.757 289 L CB -0.509 41.561 42.059 0.018 0.000 0.899 289 L HN 0.984 nan 8.230 nan 0.000 0.434 290 T N -3.968 110.597 114.554 0.019 0.000 3.163 290 T HA 0.051 4.402 4.350 0.001 0.000 0.252 290 T C 0.469 175.182 174.700 0.021 0.000 1.056 290 T CA -0.383 61.728 62.100 0.017 0.000 0.947 290 T CB -0.044 68.829 68.868 0.008 0.000 1.016 290 T HN 0.252 nan 8.240 nan 0.000 0.554 291 E N 1.199 121.415 120.200 0.026 0.000 2.331 291 E HA 0.388 4.739 4.350 0.001 0.000 0.272 291 E C -0.795 175.830 176.600 0.042 0.000 1.036 291 E CA -0.723 55.693 56.400 0.028 0.000 0.864 291 E CB 1.144 30.858 29.700 0.024 0.000 1.035 291 E HN 0.106 nan 8.360 nan 0.000 0.408 292 V N 5.995 125.934 119.914 0.042 0.000 2.488 292 V HA 0.216 4.337 4.120 0.001 0.000 0.277 292 V C 0.301 176.434 176.094 0.064 0.000 1.046 292 V CA -0.105 62.233 62.300 0.062 0.000 0.986 292 V CB 0.710 32.564 31.823 0.052 0.000 0.989 292 V HN 0.601 nan 8.190 nan 0.000 0.475 293 I N 7.026 127.650 120.570 0.089 0.000 2.404 293 I HA 0.422 4.593 4.170 0.001 0.000 0.293 293 I C -2.432 173.730 176.117 0.075 0.000 0.992 293 I CA -1.988 59.350 61.300 0.063 0.000 1.149 293 I CB 2.467 40.494 38.000 0.046 0.000 1.315 293 I HN 0.452 nan 8.210 nan 0.000 0.446 294 P HA 0.323 nan 4.420 nan 0.000 0.290 294 P C -0.868 176.429 177.300 -0.005 0.000 1.276 294 P CA -0.461 62.664 63.100 0.041 0.000 0.808 294 P CB 0.701 32.418 31.700 0.028 0.000 0.966 295 L N 2.661 123.869 121.223 -0.025 0.000 2.360 295 L HA 0.212 4.553 4.340 0.001 0.000 0.276 295 L C 1.273 178.104 176.870 -0.065 0.000 1.121 295 L CA -0.278 54.501 54.840 -0.102 0.000 0.845 295 L CB 0.166 42.119 42.059 -0.176 0.000 1.143 295 L HN 0.458 nan 8.230 nan 0.000 0.452 296 T N -1.238 113.272 114.554 -0.074 0.000 2.813 296 T HA 0.095 4.446 4.350 0.001 0.000 0.297 296 T C 1.136 175.804 174.700 -0.054 0.000 1.036 296 T CA -0.825 61.244 62.100 -0.053 0.000 1.044 296 T CB 1.358 70.195 68.868 -0.051 0.000 0.993 296 T HN 0.541 nan 8.240 nan 0.000 0.535 297 E N 1.481 121.658 120.200 -0.039 0.000 2.048 297 E HA -0.232 4.119 4.350 0.001 0.000 0.202 297 E C 1.977 178.550 176.600 -0.045 0.000 1.021 297 E CA 1.970 58.349 56.400 -0.035 0.000 0.825 297 E CB -0.401 29.283 29.700 -0.026 0.000 0.756 297 E HN 0.802 nan 8.360 nan 0.000 0.454 298 E N 0.975 121.147 120.200 -0.047 0.000 2.058 298 E HA -0.161 4.190 4.350 0.001 0.000 0.194 298 E C 1.997 178.555 176.600 -0.070 0.000 0.997 298 E CA 1.429 57.797 56.400 -0.052 0.000 0.801 298 E CB -0.514 29.157 29.700 -0.048 0.000 0.746 298 E HN 0.340 nan 8.360 nan 0.000 0.450 299 A N 1.201 123.969 122.820 -0.087 0.000 1.883 299 A HA -0.287 4.034 4.320 0.001 0.000 0.217 299 A C 2.019 179.520 177.584 -0.138 0.000 1.186 299 A CA 1.904 53.867 52.037 -0.124 0.000 0.624 299 A CB -0.627 18.281 19.000 -0.153 0.000 0.822 299 A HN 0.252 nan 8.150 nan 0.000 0.444 300 E N -0.908 119.220 120.200 -0.120 0.000 2.265 300 E HA -0.166 4.185 4.350 0.001 0.000 0.196 300 E C 1.861 178.415 176.600 -0.077 0.000 0.996 300 E CA 0.996 57.333 56.400 -0.105 0.000 0.832 300 E CB -0.217 29.444 29.700 -0.066 0.000 0.756 300 E HN 0.536 nan 8.360 nan 0.000 0.491 301 L N 1.431 122.614 121.223 -0.068 0.000 2.044 301 L HA -0.149 4.192 4.340 0.001 0.000 0.205 301 L C 2.296 179.128 176.870 -0.064 0.000 1.075 301 L CA 1.853 56.660 54.840 -0.054 0.000 0.747 301 L CB -0.311 41.720 42.059 -0.046 0.000 0.903 301 L HN 0.013 nan 8.230 nan 0.000 0.435 302 E N -0.660 119.493 120.200 -0.078 0.000 2.058 302 E HA -0.280 4.070 4.350 0.001 0.000 0.194 302 E C 2.193 178.735 176.600 -0.096 0.000 0.997 302 E CA 1.601 57.950 56.400 -0.085 0.000 0.801 302 E CB -0.282 29.362 29.700 -0.094 0.000 0.746 302 E HN 0.424 nan 8.360 nan 0.000 0.450 303 L N 0.546 121.700 121.223 -0.115 0.000 2.191 303 L HA -0.086 4.255 4.340 0.001 0.000 0.212 303 L C 2.035 178.860 176.870 -0.075 0.000 1.103 303 L CA 2.004 56.773 54.840 -0.118 0.000 0.769 303 L CB -0.448 41.512 42.059 -0.165 0.000 0.908 303 L HN 0.175 nan 8.230 nan 0.000 0.438 304 A N -0.851 121.932 122.820 -0.063 0.000 1.874 304 A HA -0.109 4.212 4.320 0.001 0.000 0.214 304 A C 2.140 179.694 177.584 -0.050 0.000 1.189 304 A CA 1.213 53.224 52.037 -0.043 0.000 0.615 304 A CB -0.478 18.502 19.000 -0.033 0.000 0.830 304 A HN 0.532 nan 8.150 nan 0.000 0.443 305 E N 0.290 120.456 120.200 -0.057 0.000 2.051 305 E HA -0.178 4.173 4.350 0.001 0.000 0.192 305 E C 1.794 178.348 176.600 -0.078 0.000 0.991 305 E CA 1.206 57.571 56.400 -0.058 0.000 0.799 305 E CB -0.191 29.476 29.700 -0.055 0.000 0.748 305 E HN 0.497 nan 8.360 nan 0.000 0.449 306 N N 0.821 119.465 118.700 -0.094 0.000 2.084 306 N HA -0.168 4.573 4.740 0.001 0.000 0.190 306 N C 1.723 177.146 175.510 -0.145 0.000 1.030 306 N CA 0.860 53.834 53.050 -0.127 0.000 0.849 306 N CB -0.277 38.134 38.487 -0.127 0.000 1.012 306 N HN 0.095 nan 8.380 nan 0.000 0.423 307 R N 0.967 121.404 120.500 -0.105 0.000 2.117 307 R HA -0.105 4.236 4.340 0.001 0.000 0.243 307 R C 1.636 177.876 176.300 -0.100 0.000 1.143 307 R CA 1.124 57.169 56.100 -0.093 0.000 0.968 307 R CB 0.101 30.372 30.300 -0.048 0.000 0.863 307 R HN 0.204 nan 8.270 nan 0.000 0.444 308 E N 0.304 120.454 120.200 -0.082 0.000 2.107 308 E HA -0.135 4.216 4.350 0.001 0.000 0.191 308 E C 1.976 178.523 176.600 -0.089 0.000 0.982 308 E CA 0.688 57.050 56.400 -0.063 0.000 0.809 308 E CB -0.009 29.667 29.700 -0.039 0.000 0.756 308 E HN 0.281 nan 8.360 nan 0.000 0.459 309 I N 1.055 121.544 120.570 -0.134 0.000 2.286 309 I HA -0.245 3.926 4.170 0.001 0.000 0.248 309 I C 2.385 178.276 176.117 -0.376 0.000 1.115 309 I CA 0.946 62.138 61.300 -0.179 0.000 1.392 309 I CB -1.058 36.823 38.000 -0.199 0.000 1.065 309 I HN 0.115 nan 8.210 nan 0.000 0.418 310 L N 0.010 120.961 121.223 -0.453 0.000 2.362 310 L HA -0.153 4.188 4.340 0.001 0.000 0.219 310 L C 2.422 179.145 176.870 -0.245 0.000 1.134 310 L CA 0.845 55.353 54.840 -0.553 0.000 0.807 310 L CB -0.484 41.339 42.059 -0.394 0.000 0.927 310 L HN 0.227 nan 8.230 nan 0.000 0.447 311 K N 0.357 120.686 120.400 -0.118 0.000 2.062 311 K HA -0.044 4.277 4.320 0.001 0.000 0.205 311 K C 0.625 177.292 176.600 0.111 0.000 1.051 311 K CA 0.638 56.926 56.287 0.001 0.000 0.941 311 K CB 0.062 32.578 32.500 0.025 0.000 0.719 311 K HN 0.381 nan 8.250 nan 0.000 0.440 312 E N 1.402 121.666 120.200 0.107 0.000 2.416 312 E HA 0.040 4.391 4.350 0.001 0.000 0.254 312 E C -2.244 174.519 176.600 0.270 0.000 1.241 312 E CA -1.478 55.028 56.400 0.176 0.000 0.969 312 E CB 0.036 29.823 29.700 0.145 0.000 0.999 312 E HN 0.102 nan 8.360 nan 0.000 0.481 313 P HA 0.048 nan 4.420 nan 0.000 0.279 313 P C -0.574 176.841 177.300 0.191 0.000 1.276 313 P CA -0.411 62.836 63.100 0.245 0.000 0.801 313 P CB 0.781 32.586 31.700 0.175 0.000 1.127 314 V N 1.040 120.987 119.914 0.055 0.000 3.003 314 V HA 0.089 4.210 4.120 0.001 0.000 0.305 314 V C 0.489 176.571 176.094 -0.019 0.000 1.078 314 V CA -0.456 61.749 62.300 -0.159 0.000 1.083 314 V CB -0.002 31.656 31.823 -0.275 0.000 1.039 314 V HN 0.654 nan 8.190 nan 0.000 0.481 315 H N 4.923 123.918 119.070 -0.125 0.000 3.145 315 H HA 0.155 4.712 4.556 0.002 0.000 0.263 315 H C 0.874 176.194 175.328 -0.013 0.000 1.057 315 H CA 0.691 56.712 56.048 -0.045 0.000 1.477 315 H CB -0.283 29.448 29.762 -0.051 0.000 1.529 315 H HN 1.292 nan 8.280 nan 0.000 0.508 316 G N 5.208 113.867 108.800 -0.234 0.000 2.306 316 G HA2 -0.206 3.755 3.960 0.001 0.000 0.274 316 G HA3 -0.206 3.755 3.960 0.001 0.000 0.274 316 G C -0.106 174.847 174.900 0.087 0.000 0.890 316 G CA 0.515 45.550 45.100 -0.109 0.000 1.298 316 G HN 0.559 nan 8.290 nan 0.000 0.445 317 V N 2.719 122.662 119.914 0.049 0.000 2.439 317 V HA 0.723 4.844 4.120 0.001 0.000 0.282 317 V C 0.254 176.377 176.094 0.047 0.000 1.039 317 V CA -0.478 61.800 62.300 -0.038 0.000 0.913 317 V CB 0.909 32.723 31.823 -0.014 0.000 0.983 317 V HN 0.675 nan 8.190 nan 0.000 0.460 318 Y N 3.363 123.724 120.300 0.101 0.000 2.581 318 Y HA 0.724 5.275 4.550 0.002 0.000 0.345 318 Y C -1.036 174.966 175.900 0.169 0.000 1.036 318 Y CA -2.153 56.025 58.100 0.130 0.000 1.042 318 Y CB 1.061 39.571 38.460 0.084 0.000 1.289 318 Y HN 0.557 nan 8.280 nan 0.000 0.471 319 Y N 2.110 122.582 120.300 0.287 0.000 2.304 319 Y HA 0.445 4.996 4.550 0.001 0.000 0.328 319 Y C -0.816 175.215 175.900 0.219 0.000 1.123 319 Y CA -1.015 57.183 58.100 0.164 0.000 1.218 319 Y CB 1.052 39.647 38.460 0.225 0.000 1.207 319 Y HN 0.794 nan 8.280 nan 0.000 0.495 320 D N 8.112 128.274 120.400 -0.396 0.000 2.454 320 D HA 0.319 4.960 4.640 0.001 0.000 0.247 320 D C -2.291 173.561 176.300 -0.746 0.000 1.129 320 D CA -2.446 51.331 54.000 -0.371 0.000 0.877 320 D CB 1.990 42.752 40.800 -0.064 0.000 1.082 320 D HN 0.330 nan 8.370 nan 0.000 0.537 321 P HA -0.151 nan 4.420 nan 0.000 0.222 321 P C 1.280 178.433 177.300 -0.244 0.000 1.142 321 P CA 1.022 63.792 63.100 -0.550 0.000 0.788 321 P CB 0.301 31.856 31.700 -0.243 0.000 0.767 322 S N -1.719 113.866 115.700 -0.193 0.000 2.377 322 S HA -0.007 4.464 4.470 0.001 0.000 0.223 322 S C 0.955 175.494 174.600 -0.101 0.000 1.030 322 S CA 0.454 58.594 58.200 -0.099 0.000 0.970 322 S CB -0.616 62.544 63.200 -0.065 0.000 0.830 322 S HN 0.086 nan 8.310 nan 0.000 0.473 323 K N 2.552 122.870 120.400 -0.136 0.000 2.154 323 K HA 0.276 4.597 4.320 0.001 0.000 0.264 323 K C -0.850 175.670 176.600 -0.134 0.000 1.008 323 K CA -0.471 55.746 56.287 -0.117 0.000 0.937 323 K CB 0.318 32.754 32.500 -0.106 0.000 1.002 323 K HN 0.446 nan 8.250 nan 0.000 0.469 324 D N 1.253 121.579 120.400 -0.123 0.000 2.253 324 D HA 0.200 4.841 4.640 0.001 0.000 0.249 324 D C -0.274 175.897 176.300 -0.215 0.000 1.049 324 D CA -0.541 53.371 54.000 -0.145 0.000 0.929 324 D CB 0.605 41.329 40.800 -0.127 0.000 1.176 324 D HN 0.222 nan 8.370 nan 0.000 0.437 325 L N 0.570 121.625 121.223 -0.281 0.000 2.305 325 L HA 0.346 4.687 4.340 0.001 0.000 0.281 325 L C 0.154 176.749 176.870 -0.458 0.000 1.085 325 L CA -0.572 54.018 54.840 -0.417 0.000 0.813 325 L CB 0.511 42.238 42.059 -0.552 0.000 1.157 325 L HN 0.226 nan 8.230 nan 0.000 0.436 326 I N 2.924 123.134 120.570 -0.599 0.000 2.359 326 I HA 0.510 4.681 4.170 0.001 0.000 0.294 326 I C 0.115 175.793 176.117 -0.731 0.000 0.987 326 I CA -0.337 60.542 61.300 -0.702 0.000 1.225 326 I CB 1.765 39.212 38.000 -0.922 0.000 1.366 326 I HN 0.631 nan 8.210 nan 0.000 0.466 327 A N 6.455 128.915 122.820 -0.600 0.000 2.291 327 A HA 0.579 4.900 4.320 0.001 0.000 0.311 327 A C -0.561 176.915 177.584 -0.181 0.000 1.224 327 A CA -0.580 51.184 52.037 -0.455 0.000 0.821 327 A CB 0.621 19.098 19.000 -0.871 0.000 1.172 327 A HN 0.722 nan 8.150 nan 0.000 0.494 328 E N 2.073 122.282 120.200 0.015 0.000 2.179 328 E HA 0.581 4.932 4.350 0.001 0.000 0.275 328 E C -1.145 175.576 176.600 0.201 0.000 0.945 328 E CA -0.412 56.064 56.400 0.126 0.000 0.792 328 E CB 2.196 32.012 29.700 0.194 0.000 1.125 328 E HN 0.615 nan 8.360 nan 0.000 0.397 329 I N 2.267 122.970 120.570 0.221 0.000 2.545 329 I HA 0.201 4.372 4.170 0.001 0.000 0.292 329 I C -0.792 175.488 176.117 0.271 0.000 1.040 329 I CA -0.853 60.621 61.300 0.290 0.000 1.068 329 I CB 1.882 40.065 38.000 0.304 0.000 1.251 329 I HN 0.312 nan 8.210 nan 0.000 0.424 330 Q N 4.698 124.667 119.800 0.282 0.000 2.340 330 Q HA 0.363 4.704 4.340 0.001 0.000 0.268 330 Q C -0.704 175.379 176.000 0.138 0.000 1.031 330 Q CA -0.788 55.129 55.803 0.189 0.000 0.804 330 Q CB 2.386 31.198 28.738 0.122 0.000 1.286 330 Q HN 0.329 nan 8.270 nan 0.000 0.448 331 K N 2.178 122.548 120.400 -0.051 0.000 2.316 331 K HA 0.073 4.394 4.320 0.001 0.000 0.289 331 K C -0.008 176.362 176.600 -0.384 0.000 1.070 331 K CA 0.033 55.993 56.287 -0.545 0.000 0.928 331 K CB 0.636 32.815 32.500 -0.536 0.000 1.039 331 K HN 0.568 nan 8.250 nan 0.000 0.480 332 Q N 2.526 122.074 119.800 -0.420 0.000 2.356 332 Q HA 0.133 4.474 4.340 0.001 0.000 0.205 332 Q C 0.488 176.345 176.000 -0.238 0.000 0.901 332 Q CA 0.576 56.240 55.803 -0.233 0.000 0.938 332 Q CB 0.950 29.613 28.738 -0.126 0.000 1.081 332 Q HN 1.005 nan 8.270 nan 0.000 0.517 333 G N 1.238 109.830 108.800 -0.346 0.000 2.690 333 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 333 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 333 G C -0.546 174.252 174.900 -0.171 0.000 1.277 333 G CA -0.335 44.623 45.100 -0.236 0.000 0.799 333 G HN 0.209 nan 8.290 nan 0.000 0.613 334 Q N -1.285 118.454 119.800 -0.101 0.000 2.453 334 Q HA -0.159 4.182 4.340 0.001 0.000 0.294 334 Q C 1.649 177.653 176.000 0.007 0.000 1.295 334 Q CA 2.139 57.919 55.803 -0.037 0.000 0.853 334 Q CB -1.623 27.090 28.738 -0.042 0.000 1.193 334 Q HN 2.887 nan 8.270 nan 0.000 0.461 335 G N -0.435 108.382 108.800 0.028 0.000 2.166 335 G HA2 -0.342 3.618 3.960 0.001 0.000 0.260 335 G HA3 -0.342 3.618 3.960 0.001 0.000 0.260 335 G C -0.009 174.999 174.900 0.181 0.000 0.986 335 G CA 0.845 46.050 45.100 0.176 0.000 0.683 335 G HN 0.452 nan 8.290 nan 0.000 0.527 336 Q N -1.245 118.524 119.800 -0.052 0.000 2.274 336 Q HA 0.633 4.974 4.340 0.001 0.000 0.260 336 Q C -0.754 175.149 176.000 -0.162 0.000 0.974 336 Q CA -0.593 55.229 55.803 0.031 0.000 0.876 336 Q CB 1.298 30.037 28.738 0.001 0.000 1.297 336 Q HN 0.366 nan 8.270 nan 0.000 0.446 337 W N 0.548 121.961 121.300 0.188 0.000 2.936 337 W HA 0.454 5.116 4.660 0.002 0.000 0.338 337 W C -0.388 176.284 176.519 0.254 0.000 1.121 337 W CA -0.562 56.925 57.345 0.236 0.000 1.209 337 W CB 1.579 31.235 29.460 0.327 0.000 1.420 337 W HN 0.505 nan 8.180 nan 0.000 0.516 338 T N -0.603 114.197 114.554 0.410 0.000 2.942 338 T HA 0.862 5.213 4.350 0.001 0.000 0.289 338 T C -1.259 173.644 174.700 0.340 0.000 1.044 338 T CA -0.803 61.467 62.100 0.283 0.000 1.023 338 T CB 2.118 71.068 68.868 0.136 0.000 1.123 338 T HN 0.574 nan 8.240 nan 0.000 0.512 339 Y N -1.176 119.176 120.300 0.087 0.000 2.624 339 Y HA 0.757 5.308 4.550 0.001 0.000 0.334 339 Y C -1.910 173.976 175.900 -0.023 0.000 1.155 339 Y CA -1.366 56.768 58.100 0.057 0.000 1.046 339 Y CB 1.299 39.845 38.460 0.144 0.000 1.316 339 Y HN 0.641 nan 8.280 nan 0.000 0.457 340 Q N 2.622 122.479 119.800 0.094 0.000 2.345 340 Q HA 0.704 5.045 4.340 0.001 0.000 0.275 340 Q C -1.539 174.587 176.000 0.210 0.000 1.063 340 Q CA -0.600 55.240 55.803 0.063 0.000 0.819 340 Q CB 3.313 32.056 28.738 0.009 0.000 1.356 340 Q HN 0.761 nan 8.270 nan 0.000 0.418 341 I N 3.182 123.876 120.570 0.207 0.000 2.406 341 I HA 0.631 4.802 4.170 0.001 0.000 0.290 341 I C -1.069 175.086 176.117 0.063 0.000 0.999 341 I CA -1.005 60.322 61.300 0.044 0.000 1.124 341 I CB 0.815 38.895 38.000 0.133 0.000 1.289 341 I HN 0.697 nan 8.210 nan 0.000 0.441 342 Y N 3.330 123.561 120.300 -0.114 0.000 2.764 342 Y HA 0.471 5.022 4.550 0.001 0.000 0.331 342 Y C -0.395 175.401 175.900 -0.173 0.000 1.280 342 Y CA -0.861 57.166 58.100 -0.122 0.000 1.065 342 Y CB 1.036 39.456 38.460 -0.067 0.000 1.319 342 Y HN 0.443 nan 8.280 nan 0.000 0.453 343 Q N -0.455 119.421 119.800 0.127 0.000 2.384 343 Q HA 0.267 4.608 4.340 0.001 0.000 0.264 343 Q C -0.904 175.185 176.000 0.148 0.000 0.825 343 Q CA 0.083 55.889 55.803 0.005 0.000 0.984 343 Q CB 1.475 30.166 28.738 -0.079 0.000 1.183 343 Q HN 0.652 nan 8.270 nan 0.000 0.537 344 E N 1.722 122.018 120.200 0.160 0.000 2.234 344 E HA 0.380 4.731 4.350 0.001 0.000 0.266 344 E C -2.733 173.746 176.600 -0.202 0.000 0.877 344 E CA -2.381 54.017 56.400 -0.004 0.000 0.758 344 E CB 1.757 31.407 29.700 -0.083 0.000 1.170 344 E HN -0.109 nan 8.360 nan 0.000 0.415 345 P HA 0.011 nan 4.420 nan 0.000 0.265 345 P C -0.355 176.514 177.300 -0.718 0.000 1.193 345 P CA 0.431 62.963 63.100 -0.946 0.000 0.765 345 P CB -0.084 31.020 31.700 -0.994 0.000 0.823 346 F N 0.077 119.823 119.950 -0.339 0.000 2.795 346 F HA -0.217 4.311 4.527 0.001 0.000 0.297 346 F C 0.571 176.244 175.800 -0.212 0.000 0.699 346 F CA 0.246 58.099 58.000 -0.245 0.000 1.384 346 F CB -1.164 37.695 39.000 -0.236 0.000 1.672 346 F HN 0.320 nan 8.300 nan 0.000 0.345 347 K N 1.300 121.666 120.400 -0.057 0.000 2.954 347 K HA 0.281 4.602 4.320 0.001 0.000 0.171 347 K C -0.427 176.186 176.600 0.022 0.000 1.079 347 K CA -0.315 55.947 56.287 -0.042 0.000 0.908 347 K CB 0.494 32.943 32.500 -0.086 0.000 1.142 347 K HN -0.003 nan 8.250 nan 0.000 0.613 348 N N 1.439 120.183 118.700 0.074 0.000 2.518 348 N HA 0.139 4.880 4.740 0.001 0.000 0.266 348 N C 1.124 176.732 175.510 0.163 0.000 1.196 348 N CA 0.003 53.151 53.050 0.164 0.000 0.947 348 N CB 1.181 39.783 38.487 0.191 0.000 1.098 348 N HN 0.284 nan 8.380 nan 0.000 0.450 349 L N 0.150 121.497 121.223 0.207 0.000 2.638 349 L HA 0.260 4.601 4.340 0.001 0.000 0.232 349 L C 0.277 177.348 176.870 0.335 0.000 1.099 349 L CA 0.172 55.177 54.840 0.274 0.000 0.883 349 L CB 0.095 42.339 42.059 0.309 0.000 1.136 349 L HN 0.429 nan 8.230 nan 0.000 0.492 350 K N 0.480 121.050 120.400 0.285 0.000 2.600 350 K HA 0.371 4.692 4.320 0.001 0.000 0.262 350 K C -1.066 175.622 176.600 0.146 0.000 0.935 350 K CA -0.211 56.229 56.287 0.255 0.000 0.866 350 K CB 1.331 34.059 32.500 0.379 0.000 1.354 350 K HN -0.008 nan 8.250 nan 0.000 0.419 351 T N -0.220 114.343 114.554 0.015 0.000 2.900 351 T HA 0.927 5.278 4.350 0.001 0.000 0.303 351 T C -0.195 174.245 174.700 -0.433 0.000 1.142 351 T CA -0.330 61.625 62.100 -0.242 0.000 1.007 351 T CB 1.876 70.707 68.868 -0.061 0.000 1.156 351 T HN 0.815 nan 8.240 nan 0.000 0.490 352 G N 0.223 108.454 108.800 -0.950 0.000 2.663 352 G HA2 0.639 4.600 3.960 0.001 0.000 0.299 352 G HA3 0.639 4.600 3.960 0.001 0.000 0.299 352 G C -1.829 172.941 174.900 -0.217 0.000 1.372 352 G CA -1.040 43.728 45.100 -0.554 0.000 0.781 352 G HN 0.804 nan 8.290 nan 0.000 0.491 353 K N 0.352 120.854 120.400 0.170 0.000 2.814 353 K HA 0.256 4.577 4.320 0.001 0.000 0.205 353 K C -1.482 175.341 176.600 0.372 0.000 1.093 353 K CA -0.712 55.734 56.287 0.265 0.000 1.035 353 K CB 0.843 33.438 32.500 0.160 0.000 1.220 353 K HN 0.548 nan 8.250 nan 0.000 0.576 354 Y N 2.864 123.400 120.300 0.394 0.000 2.650 354 Y HA 0.253 4.804 4.550 0.001 0.000 0.342 354 Y C -0.063 176.026 175.900 0.314 0.000 1.110 354 Y CA -0.023 58.266 58.100 0.314 0.000 1.438 354 Y CB 0.198 38.809 38.460 0.253 0.000 1.181 354 Y HN 0.532 nan 8.280 nan 0.000 0.526 355 A N 7.343 130.058 122.820 -0.175 0.000 2.301 355 A HA 0.438 4.759 4.320 0.001 0.000 0.287 355 A C -0.171 177.204 177.584 -0.349 0.000 1.274 355 A CA -0.606 51.344 52.037 -0.146 0.000 0.865 355 A CB 0.092 19.072 19.000 -0.034 0.000 1.324 355 A HN 0.917 nan 8.150 nan 0.000 0.508 356 R N -0.528 119.905 120.500 -0.111 0.000 2.500 356 R HA 0.158 4.499 4.340 0.001 0.000 0.281 356 R C -0.136 176.095 176.300 -0.114 0.000 0.953 356 R CA 1.347 57.411 56.100 -0.059 0.000 1.108 356 R CB -0.488 29.826 30.300 0.024 0.000 0.901 356 R HN 0.912 nan 8.270 nan 0.000 0.410 357 M N 1.289 120.853 119.600 -0.059 0.000 3.528 357 M HA 0.374 4.855 4.480 0.001 0.000 0.379 357 M C 0.135 176.436 176.300 0.001 0.000 1.684 357 M CA -0.982 54.310 55.300 -0.013 0.000 0.776 357 M CB 0.797 33.428 32.600 0.052 0.000 2.539 357 M HN 0.240 nan 8.290 nan 0.000 0.445 358 R N 0.669 121.174 120.500 0.009 0.000 2.154 358 R HA -0.078 4.263 4.340 0.001 0.000 0.248 358 R C 1.943 178.199 176.300 -0.073 0.000 1.155 358 R CA 2.021 58.101 56.100 -0.034 0.000 0.979 358 R CB -1.786 28.496 30.300 -0.030 0.000 0.869 358 R HN 1.027 nan 8.270 nan 0.000 0.452 359 G N 0.885 109.657 108.800 -0.046 0.000 2.605 359 G HA2 -0.201 3.760 3.960 0.001 0.000 0.222 359 G HA3 -0.201 3.760 3.960 0.001 0.000 0.222 359 G C 0.835 175.667 174.900 -0.113 0.000 1.092 359 G CA 1.184 46.249 45.100 -0.058 0.000 0.730 359 G HN 0.560 nan 8.290 nan 0.000 0.588 360 A N 0.351 123.053 122.820 -0.196 0.000 2.665 360 A HA -0.150 4.171 4.320 0.001 0.000 0.301 360 A C 1.074 178.214 177.584 -0.740 0.000 1.509 360 A CA 1.714 53.467 52.037 -0.474 0.000 0.789 360 A CB -2.465 16.355 19.000 -0.300 0.000 1.024 360 A HN 2.390 nan 8.150 nan 0.000 0.460 361 H N -4.091 115.003 119.070 0.040 0.000 2.458 361 H HA -0.188 4.369 4.556 0.001 0.000 0.322 361 H C 0.680 176.019 175.328 0.020 0.000 1.038 361 H CA 2.354 58.426 56.048 0.039 0.000 1.120 361 H CB -2.607 27.170 29.762 0.025 0.000 1.489 361 H HN 1.418 nan 8.280 nan 0.000 0.399 362 T N -5.846 108.747 114.554 0.066 0.000 3.029 362 T HA 0.121 4.472 4.350 0.001 0.000 0.256 362 T C 0.439 175.141 174.700 0.004 0.000 0.914 362 T CA 0.104 62.233 62.100 0.049 0.000 0.880 362 T CB 0.395 69.273 68.868 0.015 0.000 1.246 362 T HN 0.442 nan 8.240 nan 0.000 0.523 363 N N 1.359 120.047 118.700 -0.020 0.000 2.573 363 N HA 0.281 5.022 4.740 0.001 0.000 0.262 363 N C -0.629 174.877 175.510 -0.007 0.000 1.029 363 N CA -0.207 52.805 53.050 -0.062 0.000 0.882 363 N CB 1.756 40.139 38.487 -0.175 0.000 1.204 363 N HN -0.096 nan 8.380 nan 0.000 0.519 364 D N 2.029 122.476 120.400 0.080 0.000 2.149 364 D HA -0.107 4.534 4.640 0.001 0.000 0.198 364 D C 1.752 178.170 176.300 0.196 0.000 0.990 364 D CA 1.165 55.311 54.000 0.243 0.000 0.839 364 D CB 0.504 41.446 40.800 0.236 0.000 0.948 364 D HN 0.358 nan 8.370 nan 0.000 0.460 365 V N 0.499 120.454 119.914 0.069 0.000 2.453 365 V HA -0.170 3.951 4.120 0.001 0.000 0.247 365 V C 2.371 178.405 176.094 -0.100 0.000 1.048 365 V CA 1.288 63.642 62.300 0.091 0.000 1.049 365 V CB -0.344 31.581 31.823 0.170 0.000 0.672 365 V HN 0.167 nan 8.190 nan 0.000 0.457 366 K N -0.112 119.996 120.400 -0.486 0.000 2.057 366 K HA -0.217 4.104 4.320 0.001 0.000 0.207 366 K C 2.261 178.691 176.600 -0.284 0.000 1.049 366 K CA 1.570 57.405 56.287 -0.754 0.000 0.931 366 K CB -0.069 31.864 32.500 -0.944 0.000 0.714 366 K HN 0.530 nan 8.250 nan 0.000 0.440 367 Q N 0.382 120.072 119.800 -0.183 0.000 2.020 367 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 367 Q C 2.160 177.835 176.000 -0.542 0.000 0.982 367 Q CA 1.398 57.087 55.803 -0.189 0.000 0.838 367 Q CB -0.200 28.584 28.738 0.076 0.000 0.899 367 Q HN 0.229 nan 8.270 nan 0.000 0.423 368 L N 0.680 121.527 121.223 -0.626 0.000 2.012 368 L HA -0.193 4.148 4.340 0.001 0.000 0.210 368 L C 2.090 178.814 176.870 -0.244 0.000 1.073 368 L CA 2.095 56.543 54.840 -0.654 0.000 0.748 368 L CB -0.966 40.964 42.059 -0.215 0.000 0.891 368 L HN 0.150 nan 8.230 nan 0.000 0.431 369 T N -0.751 113.840 114.554 0.061 0.000 2.833 369 T HA -0.179 4.172 4.350 0.001 0.000 0.269 369 T C 1.733 176.407 174.700 -0.044 0.000 1.054 369 T CA 1.696 63.946 62.100 0.250 0.000 1.135 369 T CB -0.164 68.909 68.868 0.341 0.000 0.869 369 T HN 0.454 nan 8.240 nan 0.000 0.466 370 E N 0.708 120.785 120.200 -0.205 0.000 2.107 370 E HA 0.071 4.422 4.350 0.001 0.000 0.191 370 E C 2.519 178.781 176.600 -0.563 0.000 0.982 370 E CA 0.757 56.973 56.400 -0.307 0.000 0.809 370 E CB -0.196 29.396 29.700 -0.180 0.000 0.756 370 E HN 0.448 nan 8.360 nan 0.000 0.459 371 A N 0.730 123.048 122.820 -0.836 0.000 1.865 371 A HA -0.197 4.123 4.320 0.001 0.000 0.217 371 A C 2.468 179.734 177.584 -0.530 0.000 1.191 371 A CA 1.490 52.901 52.037 -1.043 0.000 0.623 371 A CB -0.891 17.564 19.000 -0.908 0.000 0.826 371 A HN 0.141 nan 8.150 nan 0.000 0.444 372 V N -0.017 119.666 119.914 -0.385 0.000 2.287 372 V HA -0.371 3.750 4.120 0.001 0.000 0.248 372 V C 2.699 178.708 176.094 -0.142 0.000 1.053 372 V CA 2.453 64.524 62.300 -0.382 0.000 1.027 372 V CB -1.022 30.574 31.823 -0.378 0.000 0.646 372 V HN 0.668 nan 8.190 nan 0.000 0.447 373 Q N -0.368 119.343 119.800 -0.148 0.000 2.061 373 Q HA -0.287 4.054 4.340 0.001 0.000 0.204 373 Q C 2.349 178.414 176.000 0.110 0.000 0.984 373 Q CA 1.942 57.730 55.803 -0.025 0.000 0.846 373 Q CB -0.272 28.220 28.738 -0.410 0.000 0.902 373 Q HN 0.469 nan 8.270 nan 0.000 0.421 374 K N 0.848 121.207 120.400 -0.068 0.000 2.063 374 K HA -0.150 4.171 4.320 0.001 0.000 0.208 374 K C 1.793 178.391 176.600 -0.004 0.000 1.048 374 K CA 1.218 57.502 56.287 -0.005 0.000 0.928 374 K CB -0.177 32.252 32.500 -0.119 0.000 0.713 374 K HN 0.104 nan 8.250 nan 0.000 0.442 375 I N 0.780 121.295 120.570 -0.091 0.000 2.226 375 I HA -0.210 3.960 4.170 0.001 0.000 0.245 375 I C 1.883 178.062 176.117 0.104 0.000 1.100 375 I CA 1.535 62.782 61.300 -0.088 0.000 1.374 375 I CB -1.573 36.423 38.000 -0.006 0.000 1.057 375 I HN 0.213 nan 8.210 nan 0.000 0.413 376 T N 0.538 115.220 114.554 0.214 0.000 2.777 376 T HA -0.124 4.227 4.350 0.001 0.000 0.266 376 T C 1.951 176.574 174.700 -0.129 0.000 1.040 376 T CA 1.894 64.026 62.100 0.054 0.000 1.141 376 T CB -0.341 68.515 68.868 -0.021 0.000 0.868 376 T HN 0.328 nan 8.240 nan 0.000 0.444 377 T N 2.133 116.731 114.554 0.074 0.000 2.684 377 T HA -0.108 4.243 4.350 0.001 0.000 0.267 377 T C 1.944 176.673 174.700 0.048 0.000 1.036 377 T CA 1.256 63.457 62.100 0.168 0.000 1.148 377 T CB -0.307 68.777 68.868 0.361 0.000 0.863 377 T HN 0.524 nan 8.240 nan 0.000 0.436 378 E N 0.661 120.889 120.200 0.048 0.000 2.118 378 E HA -0.117 4.234 4.350 0.001 0.000 0.195 378 E C 2.471 179.014 176.600 -0.094 0.000 0.992 378 E CA 1.074 57.471 56.400 -0.005 0.000 0.804 378 E CB -0.171 29.559 29.700 0.051 0.000 0.741 378 E HN 0.284 nan 8.360 nan 0.000 0.458 379 S N 0.154 115.834 115.700 -0.034 0.000 2.383 379 S HA -0.101 4.370 4.470 0.001 0.000 0.227 379 S C 1.891 176.415 174.600 -0.127 0.000 1.026 379 S CA 0.517 58.743 58.200 0.044 0.000 0.981 379 S CB 0.006 63.258 63.200 0.086 0.000 0.818 379 S HN 0.134 nan 8.310 nan 0.000 0.472 380 I N 1.491 121.885 120.570 -0.292 0.000 2.226 380 I HA -0.087 4.084 4.170 0.001 0.000 0.245 380 I C 2.322 178.202 176.117 -0.395 0.000 1.100 380 I CA 0.996 62.011 61.300 -0.475 0.000 1.374 380 I CB -1.526 36.102 38.000 -0.620 0.000 1.057 380 I HN 0.180 nan 8.210 nan 0.000 0.413 381 V N 1.008 120.696 119.914 -0.376 0.000 2.358 381 V HA -0.219 3.902 4.120 0.001 0.000 0.246 381 V C 2.436 178.302 176.094 -0.379 0.000 1.047 381 V CA 1.542 63.601 62.300 -0.401 0.000 1.035 381 V CB -0.294 31.363 31.823 -0.277 0.000 0.658 381 V HN 0.264 nan 8.190 nan 0.000 0.452 382 I N -1.580 118.699 120.570 -0.485 0.000 2.286 382 I HA -0.161 4.010 4.170 0.001 0.000 0.245 382 I C 1.924 177.674 176.117 -0.613 0.000 1.104 382 I CA 1.523 62.347 61.300 -0.793 0.000 1.397 382 I CB -0.175 36.867 38.000 -1.597 0.000 1.072 382 I HN 0.403 nan 8.210 nan 0.000 0.417 383 W N 0.096 121.241 121.300 -0.259 0.000 2.714 383 W HA 0.401 5.062 4.660 0.001 0.000 0.353 383 W C 1.092 176.691 176.519 -1.534 0.000 0.999 383 W CA 0.316 57.136 57.345 -0.875 0.000 1.629 383 W CB -0.170 28.786 29.460 -0.841 0.000 1.106 383 W HN 0.219 nan 8.180 nan 0.000 0.545 384 G N 3.351 111.605 108.800 -0.909 0.000 2.298 384 G HA2 -0.297 3.664 3.960 0.001 0.000 0.287 384 G HA3 -0.297 3.664 3.960 0.001 0.000 0.287 384 G C -0.023 174.773 174.900 -0.172 0.000 1.075 384 G CA 1.017 45.879 45.100 -0.397 0.000 0.960 384 G HN 0.396 nan 8.290 nan 0.000 0.502 385 K N -2.026 118.219 120.400 -0.258 0.000 2.653 385 K HA 0.558 4.879 4.320 0.001 0.000 0.274 385 K C -0.253 176.231 176.600 -0.194 0.000 0.974 385 K CA -0.421 55.774 56.287 -0.154 0.000 0.868 385 K CB 0.239 32.744 32.500 0.008 0.000 1.408 385 K HN 0.777 nan 8.250 nan 0.000 0.397 386 T N 0.348 114.799 114.554 -0.172 0.000 2.913 386 T HA 0.536 4.887 4.350 0.001 0.000 0.297 386 T C -1.973 172.655 174.700 -0.120 0.000 1.029 386 T CA -0.925 61.087 62.100 -0.146 0.000 1.104 386 T CB 0.747 69.570 68.868 -0.075 0.000 0.964 386 T HN 0.527 nan 8.240 nan 0.000 0.532 387 P HA 0.429 nan 4.420 nan 0.000 0.285 387 P C -1.259 175.824 177.300 -0.363 0.000 1.280 387 P CA -0.950 61.947 63.100 -0.337 0.000 0.862 387 P CB 1.041 32.454 31.700 -0.479 0.000 1.153 388 K N 1.341 121.524 120.400 -0.360 0.000 2.284 388 K HA 0.325 4.646 4.320 0.001 0.000 0.287 388 K C -1.144 175.255 176.600 -0.334 0.000 1.081 388 K CA -0.181 55.958 56.287 -0.247 0.000 0.910 388 K CB -1.022 31.359 32.500 -0.199 0.000 1.088 388 K HN 0.161 nan 8.250 nan 0.000 0.478 389 F N 3.088 122.992 119.950 -0.077 0.000 2.399 389 F HA 0.293 4.821 4.527 0.001 0.000 0.342 389 F C 0.776 176.498 175.800 -0.130 0.000 1.106 389 F CA 0.024 57.978 58.000 -0.077 0.000 1.196 389 F CB 1.105 40.095 39.000 -0.017 0.000 1.163 389 F HN 0.301 nan 8.300 nan 0.000 0.547 390 K N 4.779 125.213 120.400 0.057 0.000 2.478 390 K HA 0.389 4.709 4.320 0.001 0.000 0.236 390 K C -1.106 175.500 176.600 0.011 0.000 1.021 390 K CA -0.332 55.950 56.287 -0.010 0.000 1.010 390 K CB 0.898 33.404 32.500 0.009 0.000 1.331 390 K HN 0.485 nan 8.250 nan 0.000 0.470 391 L N 4.563 125.714 121.223 -0.120 0.000 2.331 391 L HA 0.250 4.590 4.340 0.001 0.000 0.278 391 L C -1.633 175.256 176.870 0.032 0.000 1.106 391 L CA -1.799 52.960 54.840 -0.136 0.000 0.824 391 L CB 0.572 42.334 42.059 -0.496 0.000 1.142 391 L HN 0.321 nan 8.230 nan 0.000 0.443 392 P HA 0.226 nan 4.420 nan 0.000 0.220 392 P C -0.597 176.788 177.300 0.142 0.000 1.806 392 P CA 0.312 63.492 63.100 0.133 0.000 0.976 392 P CB 0.302 32.101 31.700 0.165 0.000 1.952 393 I N -0.433 120.224 120.570 0.145 0.000 2.787 393 I HA 0.209 4.380 4.170 0.001 0.000 0.294 393 I C -0.949 175.199 176.117 0.051 0.000 1.365 393 I CA -0.889 60.487 61.300 0.127 0.000 1.029 393 I CB 2.563 40.659 38.000 0.160 0.000 1.313 393 I HN -0.219 nan 8.210 nan 0.000 0.431 394 Q N 5.478 125.264 119.800 -0.023 0.000 2.330 394 Q HA 0.005 4.346 4.340 0.001 0.000 0.279 394 Q C 0.728 176.468 176.000 -0.433 0.000 1.024 394 Q CA 0.361 56.070 55.803 -0.157 0.000 0.900 394 Q CB 1.069 29.764 28.738 -0.072 0.000 1.221 394 Q HN 0.630 nan 8.270 nan 0.000 0.396 395 K N 2.875 122.757 120.400 -0.864 0.000 2.074 395 K HA -0.258 4.063 4.320 0.001 0.000 0.209 395 K C 0.861 177.198 176.600 -0.438 0.000 1.048 395 K CA 2.003 57.506 56.287 -1.306 0.000 0.926 395 K CB 0.328 32.283 32.500 -0.909 0.000 0.713 395 K HN 0.434 nan 8.250 nan 0.000 0.444 396 E N -0.075 119.994 120.200 -0.219 0.000 2.110 396 E HA -0.120 4.231 4.350 0.001 0.000 0.193 396 E C 1.961 178.575 176.600 0.022 0.000 0.988 396 E CA 1.827 58.187 56.400 -0.068 0.000 0.804 396 E CB -0.444 29.238 29.700 -0.030 0.000 0.745 396 E HN 0.347 nan 8.360 nan 0.000 0.458 397 T N 0.457 115.039 114.554 0.046 0.000 2.701 397 T HA -0.148 4.203 4.350 0.001 0.000 0.263 397 T C 1.330 176.192 174.700 0.271 0.000 1.040 397 T CA 1.069 63.274 62.100 0.175 0.000 1.147 397 T CB -0.439 68.507 68.868 0.129 0.000 0.865 397 T HN 0.402 nan 8.240 nan 0.000 0.426 398 W N 2.278 123.566 121.300 -0.020 0.000 2.355 398 W HA -0.120 4.541 4.660 0.001 0.000 0.309 398 W C 1.766 178.325 176.519 0.066 0.000 1.206 398 W CA 1.310 58.660 57.345 0.009 0.000 1.284 398 W CB -0.198 29.213 29.460 -0.081 0.000 1.145 398 W HN 0.398 nan 8.180 nan 0.000 0.502 399 E N -0.465 119.773 120.200 0.063 0.000 2.204 399 E HA -0.167 4.184 4.350 0.001 0.000 0.195 399 E C 2.026 178.526 176.600 -0.167 0.000 0.990 399 E CA 1.815 58.204 56.400 -0.018 0.000 0.821 399 E CB -0.202 29.498 29.700 -0.001 0.000 0.750 399 E HN 0.172 nan 8.360 nan 0.000 0.477 400 T N -0.387 114.066 114.554 -0.168 0.000 2.857 400 T HA -0.103 4.248 4.350 0.001 0.000 0.266 400 T C 0.072 174.225 174.700 -0.912 0.000 1.048 400 T CA 0.907 62.694 62.100 -0.521 0.000 1.139 400 T CB -0.035 68.636 68.868 -0.328 0.000 0.874 400 T HN 0.272 nan 8.240 nan 0.000 0.455 401 W N 1.283 122.424 121.300 -0.265 0.000 1.402 401 W HA 0.453 5.114 4.660 0.002 0.000 0.300 401 W C 0.685 176.982 176.519 -0.369 0.000 0.853 401 W CA -1.825 55.332 57.345 -0.314 0.000 2.057 401 W CB -0.470 28.941 29.460 -0.081 0.000 2.087 401 W HN 0.300 nan 8.180 nan 0.000 0.466 402 W N -0.514 120.388 121.300 -0.663 0.000 2.777 402 W HA 0.074 4.735 4.660 0.001 0.000 0.260 402 W C 1.287 177.509 176.519 -0.494 0.000 1.194 402 W CA 1.068 57.863 57.345 -0.917 0.000 1.447 402 W CB -1.082 27.228 29.460 -1.917 0.000 1.009 402 W HN 0.017 nan 8.180 nan 0.000 0.613 403 T N -0.952 112.538 114.554 -1.774 0.000 3.035 403 T HA -0.102 4.249 4.350 0.001 0.000 0.268 403 T C 1.358 175.644 174.700 -0.689 0.000 1.109 403 T CA 1.196 62.365 62.100 -1.551 0.000 1.119 403 T CB -0.356 67.302 68.868 -2.016 0.000 0.900 403 T HN -0.039 nan 8.240 nan 0.000 0.503 404 E N 0.726 120.486 120.200 -0.733 0.000 2.274 404 E HA -0.009 4.342 4.350 0.001 0.000 0.194 404 E C 0.796 177.007 176.600 -0.648 0.000 0.996 404 E CA 0.902 56.892 56.400 -0.683 0.000 0.840 404 E CB -0.130 29.039 29.700 -0.885 0.000 0.772 404 E HN 0.846 nan 8.360 nan 0.000 0.491 405 Y N -2.189 118.105 120.300 -0.010 0.000 2.500 405 Y HA 0.152 4.703 4.550 0.001 0.000 0.246 405 Y C 1.006 176.945 175.900 0.064 0.000 1.146 405 Y CA -0.897 57.215 58.100 0.021 0.000 1.230 405 Y CB 0.301 38.769 38.460 0.014 0.000 1.214 405 Y HN -0.013 nan 8.280 nan 0.000 0.526 406 W N 3.694 124.986 121.300 -0.013 0.000 2.181 406 W HA 0.087 4.748 4.660 0.001 0.000 0.335 406 W C 0.072 176.588 176.519 -0.004 0.000 1.310 406 W CA 0.831 58.212 57.345 0.059 0.000 1.226 406 W CB 0.873 30.430 29.460 0.160 0.000 1.155 406 W HN 0.270 nan 8.180 nan 0.000 0.565 407 Q N 2.990 122.495 119.800 -0.491 0.000 2.040 407 Q HA 0.202 4.543 4.340 0.001 0.000 0.212 407 Q C 0.016 175.697 176.000 -0.531 0.000 0.766 407 Q CA -0.218 55.356 55.803 -0.381 0.000 0.967 407 Q CB 1.250 29.781 28.738 -0.344 0.000 1.202 407 Q HN 0.350 nan 8.270 nan 0.000 0.446 408 A N 0.874 123.192 122.820 -0.837 0.000 2.295 408 A HA 0.395 4.716 4.320 0.001 0.000 0.318 408 A C 1.180 178.509 177.584 -0.426 0.000 1.134 408 A CA -0.097 51.387 52.037 -0.922 0.000 0.827 408 A CB 0.669 18.517 19.000 -1.920 0.000 1.136 408 A HN 0.215 nan 8.150 nan 0.000 0.493 409 T N -1.105 113.147 114.554 -0.503 0.000 3.023 409 T HA 0.010 4.361 4.350 0.001 0.000 0.266 409 T C 0.626 175.365 174.700 0.066 0.000 1.093 409 T CA 0.593 62.589 62.100 -0.174 0.000 1.129 409 T CB -0.394 68.394 68.868 -0.134 0.000 0.899 409 T HN 0.684 nan 8.240 nan 0.000 0.491 410 W N 0.548 122.068 121.300 0.367 0.000 2.481 410 W HA 0.758 5.419 4.660 0.001 0.000 0.369 410 W C -0.845 176.013 176.519 0.564 0.000 1.235 410 W CA -1.714 55.874 57.345 0.404 0.000 1.344 410 W CB 0.578 30.297 29.460 0.433 0.000 1.360 410 W HN -0.065 nan 8.180 nan 0.000 0.658 411 I N 2.061 123.144 120.570 0.855 0.000 2.649 411 I HA 0.203 4.374 4.170 0.001 0.000 0.289 411 I C -2.194 174.118 176.117 0.326 0.000 1.222 411 I CA -1.990 59.647 61.300 0.562 0.000 1.046 411 I CB 2.546 40.624 38.000 0.130 0.000 1.272 411 I HN 0.033 nan 8.210 nan 0.000 0.425 412 P HA 0.394 nan 4.420 nan 0.000 0.284 412 P C -1.077 176.058 177.300 -0.274 0.000 1.292 412 P CA -0.448 62.742 63.100 0.151 0.000 0.800 412 P CB 1.158 33.144 31.700 0.477 0.000 1.188 413 E N -0.569 119.531 120.200 -0.166 0.000 2.248 413 E HA 0.442 4.792 4.350 0.001 0.000 0.272 413 E C -0.674 175.827 176.600 -0.166 0.000 1.008 413 E CA 0.031 56.202 56.400 -0.382 0.000 0.856 413 E CB 0.865 30.442 29.700 -0.205 0.000 1.120 413 E HN 0.496 nan 8.360 nan 0.000 0.397 414 W N -0.059 121.161 121.300 -0.134 0.000 3.137 414 W HA 0.505 5.166 4.660 0.002 0.000 0.324 414 W C -0.802 175.423 176.519 -0.490 0.000 1.253 414 W CA -0.945 56.231 57.345 -0.281 0.000 1.183 414 W CB 0.032 29.236 29.460 -0.428 0.000 1.424 414 W HN 0.472 nan 8.180 nan 0.000 0.566 415 E N 0.417 120.437 120.200 -0.299 0.000 2.423 415 E HA 0.808 5.158 4.350 0.001 0.000 0.269 415 E C -1.735 174.403 176.600 -0.770 0.000 0.948 415 E CA -1.197 54.928 56.400 -0.459 0.000 0.802 415 E CB 2.582 32.189 29.700 -0.155 0.000 1.339 415 E HN 0.299 nan 8.360 nan 0.000 0.445 416 F N 0.578 120.538 119.950 0.016 0.000 2.495 416 F HA 0.382 4.909 4.527 0.001 0.000 0.327 416 F C -0.168 175.638 175.800 0.009 0.000 1.103 416 F CA -1.288 56.699 58.000 -0.020 0.000 0.949 416 F CB 2.262 41.249 39.000 -0.022 0.000 1.142 416 F HN 0.324 nan 8.300 nan 0.000 0.457 417 V N 2.745 122.762 119.914 0.171 0.000 2.370 417 V HA 0.438 4.559 4.120 0.001 0.000 0.279 417 V C -0.220 175.947 176.094 0.121 0.000 1.029 417 V CA -0.335 62.038 62.300 0.123 0.000 0.870 417 V CB 1.226 33.107 31.823 0.097 0.000 0.984 417 V HN 0.867 nan 8.190 nan 0.000 0.451 418 N N 3.429 122.189 118.700 0.100 0.000 2.205 418 N HA 0.121 4.862 4.740 0.001 0.000 0.201 418 N C 0.023 175.567 175.510 0.057 0.000 1.128 418 N CA 0.108 53.204 53.050 0.076 0.000 0.867 418 N CB 0.948 39.477 38.487 0.070 0.000 0.996 418 N HN 0.731 nan 8.380 nan 0.000 0.503 419 T N 3.083 117.672 114.554 0.058 0.000 2.792 419 T HA 0.302 4.652 4.350 0.001 0.000 0.280 419 T C -2.566 172.158 174.700 0.040 0.000 0.990 419 T CA -1.200 60.927 62.100 0.045 0.000 0.960 419 T CB 2.534 71.430 68.868 0.047 0.000 0.939 419 T HN 0.003 nan 8.240 nan 0.000 0.439 420 P HA 0.237 nan 4.420 nan 0.000 0.264 420 P C -2.630 174.670 177.300 0.001 0.000 1.229 420 P CA -1.043 62.061 63.100 0.008 0.000 0.780 420 P CB -0.428 31.265 31.700 -0.012 0.000 0.808 421 P HA 0.050 nan 4.420 nan 0.000 0.268 421 P C 1.032 178.290 177.300 -0.071 0.000 1.204 421 P CA -0.370 62.736 63.100 0.011 0.000 0.768 421 P CB 0.456 32.188 31.700 0.054 0.000 0.842 422 L N 5.536 126.707 121.223 -0.086 0.000 2.093 422 L HA -0.110 4.231 4.340 0.001 0.000 0.208 422 L C 1.606 178.171 176.870 -0.507 0.000 1.085 422 L CA 1.604 56.313 54.840 -0.218 0.000 0.755 422 L CB -0.776 41.211 42.059 -0.120 0.000 0.904 422 L HN 0.302 nan 8.230 nan 0.000 0.435 423 V N -2.260 117.408 119.914 -0.409 0.000 3.564 423 V HA -0.084 4.037 4.120 0.001 0.000 0.283 423 V C 2.168 177.992 176.094 -0.449 0.000 1.227 423 V CA 0.944 62.883 62.300 -0.602 0.000 1.217 423 V CB -1.595 30.130 31.823 -0.164 0.000 0.994 423 V HN 0.557 nan 8.190 nan 0.000 0.446 424 K N 0.267 120.445 120.400 -0.370 0.000 1.987 424 K HA -0.222 4.098 4.320 0.001 0.000 0.216 424 K C 1.993 178.462 176.600 -0.219 0.000 1.051 424 K CA 2.321 58.485 56.287 -0.206 0.000 0.942 424 K CB -0.312 32.076 32.500 -0.187 0.000 0.722 424 K HN 0.518 nan 8.250 nan 0.000 0.444 425 L N 0.813 121.823 121.223 -0.355 0.000 2.131 425 L HA -0.129 4.212 4.340 0.001 0.000 0.210 425 L C 1.978 178.742 176.870 -0.176 0.000 1.092 425 L CA 1.417 56.107 54.840 -0.250 0.000 0.759 425 L CB -0.647 41.257 42.059 -0.259 0.000 0.903 425 L HN 0.395 nan 8.230 nan 0.000 0.435 426 W N -1.320 119.776 121.300 -0.339 0.000 2.364 426 W HA -0.222 4.439 4.660 0.001 0.000 0.281 426 W C 2.047 178.277 176.519 -0.482 0.000 1.219 426 W CA 0.737 57.757 57.345 -0.542 0.000 1.220 426 W CB -1.113 27.662 29.460 -1.142 0.000 1.127 426 W HN 0.237 nan 8.180 nan 0.000 0.556 427 Y N 0.115 120.372 120.300 -0.070 0.000 2.490 427 Y HA 0.051 4.602 4.550 0.001 0.000 0.281 427 Y C 1.730 177.652 175.900 0.036 0.000 1.174 427 Y CA 0.078 58.193 58.100 0.024 0.000 1.295 427 Y CB -0.714 37.776 38.460 0.051 0.000 1.062 427 Y HN -0.083 nan 8.280 nan 0.000 0.522 428 Q N 0.000 119.882 119.800 0.136 0.000 2.315 428 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 428 Q CA 0.000 55.856 55.803 0.089 0.000 1.022 428 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481