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 2vgj_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.441 176.300 0.235 0.000 0.893 1 R CA 0.000 56.185 56.100 0.142 0.000 0.921 1 R CB 0.000 30.365 30.300 0.109 0.000 0.687 2 L N 1.283 122.644 121.223 0.230 0.000 2.027 2 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 2 L C 2.137 179.060 176.870 0.089 0.000 1.074 2 L CA 2.470 57.415 54.840 0.176 0.000 0.745 2 L CB -0.035 42.114 42.059 0.150 0.000 0.898 2 L HN 0.279 nan 8.230 nan 0.000 0.433 3 T N -4.271 110.329 114.554 0.076 0.000 3.055 3 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 3 T C 1.530 176.264 174.700 0.055 0.000 1.111 3 T CA 0.732 62.866 62.100 0.057 0.000 1.118 3 T CB -0.202 68.691 68.868 0.043 0.000 0.909 3 T HN 0.401 nan 8.240 nan 0.000 0.501 4 E N 0.942 121.180 120.200 0.063 0.000 2.001 4 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 4 E C 2.100 178.730 176.600 0.050 0.000 0.994 4 E CA 1.136 57.569 56.400 0.055 0.000 0.815 4 E CB -0.361 29.375 29.700 0.060 0.000 0.770 4 E HN 0.379 nan 8.360 nan 0.000 0.453 5 L N 1.557 122.821 121.223 0.068 0.000 2.123 5 L HA -0.305 4.035 4.340 -0.000 0.000 0.217 5 L C 2.270 179.131 176.870 -0.015 0.000 1.081 5 L CA 1.831 56.681 54.840 0.017 0.000 0.772 5 L CB -0.143 41.893 42.059 -0.038 0.000 0.890 5 L HN 0.021 nan 8.230 nan 0.000 0.437 6 R N -0.509 120.016 120.500 0.041 0.000 2.055 6 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 6 R C 2.210 178.574 176.300 0.106 0.000 1.143 6 R CA 1.692 57.868 56.100 0.127 0.000 0.945 6 R CB -0.453 29.931 30.300 0.140 0.000 0.841 6 R HN 0.469 nan 8.270 nan 0.000 0.429 7 E N 0.405 120.646 120.200 0.068 0.000 2.187 7 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 7 E C 1.388 178.000 176.600 0.020 0.000 1.004 7 E CA 1.547 57.975 56.400 0.047 0.000 0.813 7 E CB -0.007 29.714 29.700 0.034 0.000 0.736 7 E HN 0.310 nan 8.360 nan 0.000 0.468 8 D N 0.068 120.466 120.400 -0.003 0.000 2.103 8 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 8 D C 1.981 178.234 176.300 -0.077 0.000 0.978 8 D CA 0.749 54.729 54.000 -0.034 0.000 0.829 8 D CB -0.160 40.620 40.800 -0.034 0.000 0.981 8 D HN 0.180 nan 8.370 nan 0.000 0.464 9 I N 1.377 121.861 120.570 -0.143 0.000 2.179 9 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 9 I C 1.846 177.868 176.117 -0.158 0.000 1.088 9 I CA 1.033 62.170 61.300 -0.271 0.000 1.357 9 I CB -0.193 37.412 38.000 -0.658 0.000 1.051 9 I HN -0.122 nan 8.210 nan 0.000 0.409 10 D N 1.212 121.598 120.400 -0.022 0.000 2.133 10 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 10 D C 2.253 178.563 176.300 0.017 0.000 0.997 10 D CA 1.814 55.854 54.000 0.067 0.000 0.840 10 D CB -0.244 40.623 40.800 0.112 0.000 0.947 10 D HN 0.406 nan 8.370 nan 0.000 0.452 11 A N 0.776 123.593 122.820 -0.005 0.000 1.877 11 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 11 A C 2.437 180.004 177.584 -0.028 0.000 1.186 11 A CA 0.971 53.001 52.037 -0.012 0.000 0.620 11 A CB -0.768 18.223 19.000 -0.014 0.000 0.822 11 A HN 0.213 nan 8.150 nan 0.000 0.443 12 I N -0.155 120.383 120.570 -0.053 0.000 2.194 12 I HA -0.265 3.905 4.170 -0.000 0.000 0.246 12 I C 1.747 177.832 176.117 -0.053 0.000 1.093 12 I CA 1.169 62.429 61.300 -0.066 0.000 1.355 12 I CB -0.313 37.626 38.000 -0.103 0.000 1.046 12 I HN 0.259 nan 8.210 nan 0.000 0.413 13 L N 0.522 121.720 121.223 -0.042 0.000 2.650 13 L HA -0.035 4.305 4.340 -0.000 0.000 0.235 13 L C 1.574 178.443 176.870 -0.002 0.000 1.149 13 L CA 0.255 55.084 54.840 -0.018 0.000 0.887 13 L CB -0.384 41.680 42.059 0.009 0.000 1.021 13 L HN 0.226 nan 8.230 nan 0.000 0.441 14 E N -0.432 119.765 120.200 -0.006 0.000 2.479 14 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 14 E C 0.134 176.731 176.600 -0.005 0.000 1.049 14 E CA 0.004 56.404 56.400 -0.000 0.000 0.870 14 E CB -0.072 29.629 29.700 0.002 0.000 0.944 14 E HN 0.374 nan 8.360 nan 0.000 0.492 15 D N 1.857 122.249 120.400 -0.013 0.000 2.515 15 D HA -0.071 4.569 4.640 -0.000 0.000 0.232 15 D C -1.061 175.233 176.300 -0.009 0.000 1.157 15 D CA -0.767 53.223 54.000 -0.017 0.000 0.871 15 D CB 1.111 41.894 40.800 -0.029 0.000 1.200 15 D HN -0.099 nan 8.370 nan 0.000 0.466 16 P HA -0.252 nan 4.420 nan 0.000 0.216 16 P C 0.959 178.259 177.300 -0.000 0.000 1.153 16 P CA 1.545 64.644 63.100 -0.002 0.000 0.858 16 P CB -0.096 31.602 31.700 -0.004 0.000 0.789 17 A N 0.331 123.144 122.820 -0.012 0.000 1.958 17 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 17 A C 2.196 179.779 177.584 -0.001 0.000 1.178 17 A CA 1.534 53.561 52.037 -0.017 0.000 0.642 17 A CB -1.644 17.325 19.000 -0.052 0.000 0.816 17 A HN 0.212 nan 8.150 nan 0.000 0.453 18 L N -0.003 121.218 121.223 -0.004 0.000 2.660 18 L HA 0.089 4.429 4.340 -0.000 0.000 0.238 18 L C 0.464 177.357 176.870 0.038 0.000 1.161 18 L CA -0.391 54.461 54.840 0.019 0.000 0.937 18 L CB -0.431 41.631 42.059 0.005 0.000 1.122 18 L HN 0.278 nan 8.230 nan 0.000 0.435 19 E N 0.948 121.169 120.200 0.036 0.000 2.351 19 E HA 0.246 4.596 4.350 -0.000 0.000 0.266 19 E C 1.183 177.809 176.600 0.042 0.000 1.031 19 E CA 0.820 57.239 56.400 0.033 0.000 0.911 19 E CB 0.455 30.170 29.700 0.025 0.000 0.986 19 E HN 0.312 nan 8.360 nan 0.000 0.446 20 G N 2.725 111.546 108.800 0.034 0.000 2.179 20 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 20 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 20 G C 0.365 175.287 174.900 0.038 0.000 0.977 20 G CA 0.185 45.303 45.100 0.031 0.000 0.641 20 G HN 0.906 nan 8.290 nan 0.000 0.533 21 A N -0.272 122.583 122.820 0.058 0.000 2.304 21 A HA 0.784 5.104 4.320 -0.000 0.000 0.301 21 A C 0.296 177.914 177.584 0.056 0.000 1.132 21 A CA 0.092 52.175 52.037 0.076 0.000 0.819 21 A CB 1.434 20.517 19.000 0.138 0.000 1.094 21 A HN 1.145 nan 8.150 nan 0.000 0.492 22 V N 1.578 121.524 119.914 0.053 0.000 2.427 22 V HA 0.529 4.649 4.120 -0.000 0.000 0.286 22 V C 0.260 176.388 176.094 0.057 0.000 1.034 22 V CA -0.243 62.085 62.300 0.046 0.000 0.893 22 V CB 1.346 33.189 31.823 0.034 0.000 0.982 22 V HN 0.813 nan 8.190 nan 0.000 0.452 23 S N 2.625 118.358 115.700 0.055 0.000 2.605 23 S HA 0.638 5.108 4.470 -0.000 0.000 0.308 23 S C 0.237 174.877 174.600 0.067 0.000 1.113 23 S CA -0.527 57.709 58.200 0.060 0.000 1.049 23 S CB 1.660 64.892 63.200 0.053 0.000 1.001 23 S HN 1.076 nan 8.310 nan 0.000 0.480 24 G N 1.896 110.736 108.800 0.066 0.000 2.329 24 G HA2 0.568 4.528 3.960 -0.000 0.000 0.309 24 G HA3 0.568 4.528 3.960 -0.000 0.000 0.309 24 G C -0.915 174.042 174.900 0.096 0.000 1.110 24 G CA -0.349 44.795 45.100 0.075 0.000 0.923 24 G HN 0.582 nan 8.290 nan 0.000 0.430 25 V N 2.971 122.966 119.914 0.135 0.000 2.577 25 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 25 V C -0.553 175.690 176.094 0.247 0.000 1.042 25 V CA -0.603 61.806 62.300 0.182 0.000 0.872 25 V CB 1.906 33.843 31.823 0.190 0.000 0.998 25 V HN 0.580 nan 8.190 nan 0.000 0.423 26 V N 5.034 125.074 119.914 0.210 0.000 2.808 26 V HA 0.639 4.759 4.120 -0.000 0.000 0.308 26 V C -0.902 175.303 176.094 0.185 0.000 1.099 26 V CA -0.594 61.816 62.300 0.184 0.000 0.920 26 V CB 2.425 34.312 31.823 0.105 0.000 1.014 26 V HN 0.569 nan 8.190 nan 0.000 0.425 27 V N 4.753 124.772 119.914 0.175 0.000 2.623 27 V HA 0.679 4.799 4.120 -0.000 0.000 0.304 27 V C -0.628 175.525 176.094 0.099 0.000 1.054 27 V CA -0.479 61.908 62.300 0.145 0.000 0.882 27 V CB 2.189 34.075 31.823 0.104 0.000 1.002 27 V HN 0.635 nan 8.190 nan 0.000 0.424 28 V N 2.451 122.422 119.914 0.096 0.000 2.914 28 V HA 0.514 4.634 4.120 -0.000 0.000 0.314 28 V C -0.640 175.511 176.094 0.096 0.000 1.084 28 V CA -0.757 61.591 62.300 0.079 0.000 0.963 28 V CB 2.430 34.293 31.823 0.068 0.000 1.025 28 V HN 0.869 nan 8.190 nan 0.000 0.432 29 D N 1.844 122.297 120.400 0.089 0.000 2.380 29 D HA 0.136 4.776 4.640 -0.000 0.000 0.230 29 D C 1.369 177.724 176.300 0.091 0.000 1.154 29 D CA 0.342 54.404 54.000 0.103 0.000 0.859 29 D CB 1.850 42.709 40.800 0.098 0.000 1.045 29 D HN 0.811 nan 8.370 nan 0.000 0.495 30 T N 1.772 116.391 114.554 0.109 0.000 2.720 30 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 30 T C 1.887 176.623 174.700 0.061 0.000 1.037 30 T CA 1.262 63.419 62.100 0.096 0.000 1.144 30 T CB -0.220 68.725 68.868 0.128 0.000 0.864 30 T HN 0.337 nan 8.240 nan 0.000 0.444 31 A N 2.242 125.097 122.820 0.059 0.000 1.859 31 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 31 A C 2.793 180.398 177.584 0.034 0.000 1.198 31 A CA 3.006 55.067 52.037 0.039 0.000 0.629 31 A CB -1.508 17.517 19.000 0.041 0.000 0.830 31 A HN 0.774 nan 8.150 nan 0.000 0.446 32 T N -5.156 109.424 114.554 0.043 0.000 3.051 32 T HA 0.400 4.750 4.350 -0.000 0.000 0.255 32 T C 1.516 176.236 174.700 0.033 0.000 1.085 32 T CA 1.203 63.325 62.100 0.037 0.000 1.109 32 T CB 0.216 69.110 68.868 0.042 0.000 0.921 32 T HN 1.888 nan 8.240 nan 0.000 0.488 33 G N 1.065 109.889 108.800 0.039 0.000 2.176 33 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.253 33 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.253 33 G C -0.140 174.781 174.900 0.036 0.000 0.979 33 G CA 0.206 45.327 45.100 0.034 0.000 0.641 33 G HN 0.795 nan 8.290 nan 0.000 0.530 34 E N 0.960 121.185 120.200 0.041 0.000 2.415 34 E HA 0.268 4.618 4.350 -0.000 0.000 0.263 34 E C 0.086 176.710 176.600 0.040 0.000 0.995 34 E CA -0.107 56.317 56.400 0.040 0.000 0.915 34 E CB 0.241 29.970 29.700 0.049 0.000 0.951 34 E HN 0.399 nan 8.360 nan 0.000 0.449 35 E N 5.014 125.231 120.200 0.028 0.000 2.001 35 E HA 0.062 4.412 4.350 -0.000 0.000 0.279 35 E C 0.662 177.273 176.600 0.018 0.000 1.045 35 E CA -0.203 56.211 56.400 0.025 0.000 0.833 35 E CB 0.485 30.192 29.700 0.010 0.000 1.077 35 E HN 0.635 nan 8.360 nan 0.000 0.397 36 L N 4.187 125.427 121.223 0.028 0.000 2.131 36 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 36 L C 0.553 177.459 176.870 0.059 0.000 1.087 36 L CA 0.829 55.674 54.840 0.009 0.000 0.767 36 L CB -0.009 42.016 42.059 -0.058 0.000 0.917 36 L HN 0.519 nan 8.230 nan 0.000 0.441 37 Y N -1.217 119.053 120.300 -0.051 0.000 2.562 37 Y HA 0.523 5.073 4.550 -0.000 0.000 0.345 37 Y C -0.831 175.060 175.900 -0.015 0.000 1.045 37 Y CA -0.965 57.110 58.100 -0.041 0.000 1.028 37 Y CB 2.141 40.568 38.460 -0.056 0.000 1.297 37 Y HN -0.255 nan 8.280 nan 0.000 0.463 38 S N 5.096 120.437 115.700 -0.598 0.000 2.584 38 S HA 0.492 4.962 4.470 -0.000 0.000 0.282 38 S C -2.042 172.340 174.600 -0.362 0.000 1.138 38 S CA -0.694 57.338 58.200 -0.281 0.000 0.987 38 S CB 0.642 63.762 63.200 -0.133 0.000 1.137 38 S HN 0.845 nan 8.310 nan 0.000 0.457 39 R N 2.977 123.406 120.500 -0.119 0.000 2.621 39 R HA 0.371 4.711 4.340 -0.000 0.000 0.284 39 R C -0.757 175.559 176.300 0.026 0.000 0.998 39 R CA -0.369 55.705 56.100 -0.044 0.000 0.895 39 R CB 0.876 31.211 30.300 0.058 0.000 1.195 39 R HN 0.740 nan 8.270 nan 0.000 0.450 40 D N 2.396 122.802 120.400 0.010 0.000 2.845 40 D HA -0.187 4.453 4.640 -0.000 0.000 0.229 40 D C 0.846 177.165 176.300 0.031 0.000 1.170 40 D CA 1.531 55.545 54.000 0.022 0.000 0.717 40 D CB -0.662 40.159 40.800 0.034 0.000 1.073 40 D HN 0.908 nan 8.370 nan 0.000 0.424 41 G N -0.110 108.706 108.800 0.027 0.000 2.679 41 G HA2 0.098 4.058 3.960 -0.000 0.000 0.212 41 G HA3 0.098 4.058 3.960 -0.000 0.000 0.212 41 G C 1.463 176.382 174.900 0.031 0.000 1.137 41 G CA 0.702 45.825 45.100 0.038 0.000 0.787 41 G HN 0.444 nan 8.290 nan 0.000 0.534 42 G N -0.433 108.379 108.800 0.021 0.000 3.088 42 G HA2 0.241 4.201 3.960 -0.000 0.000 0.217 42 G HA3 0.241 4.201 3.960 -0.000 0.000 0.217 42 G C 0.330 175.241 174.900 0.018 0.000 1.159 42 G CA -0.201 44.910 45.100 0.018 0.000 0.760 42 G HN 0.415 nan 8.290 nan 0.000 0.550 43 E N 1.005 121.218 120.200 0.021 0.000 2.259 43 E HA 0.286 4.636 4.350 -0.000 0.000 0.281 43 E C 0.085 176.696 176.600 0.018 0.000 1.027 43 E CA -0.328 56.083 56.400 0.019 0.000 0.838 43 E CB 0.436 30.149 29.700 0.022 0.000 1.066 43 E HN 0.207 nan 8.360 nan 0.000 0.401 44 Q N 3.986 123.793 119.800 0.011 0.000 2.323 44 Q HA 0.316 4.656 4.340 -0.000 0.000 0.257 44 Q C -0.548 175.455 176.000 0.005 0.000 1.022 44 Q CA 0.026 55.831 55.803 0.005 0.000 0.919 44 Q CB 0.668 29.404 28.738 -0.003 0.000 1.220 44 Q HN 0.495 nan 8.270 nan 0.000 0.427 45 L N 2.005 123.232 121.223 0.006 0.000 2.283 45 L HA 0.546 4.886 4.340 -0.000 0.000 0.259 45 L C -0.498 176.372 176.870 -0.001 0.000 1.027 45 L CA -1.180 53.665 54.840 0.008 0.000 0.828 45 L CB 1.473 43.545 42.059 0.022 0.000 1.380 45 L HN 0.397 nan 8.230 nan 0.000 0.425 46 L N 1.843 123.063 121.223 -0.004 0.000 2.331 46 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 46 L C -1.551 175.314 176.870 -0.008 0.000 1.106 46 L CA -1.491 53.340 54.840 -0.016 0.000 0.824 46 L CB 0.657 42.699 42.059 -0.029 0.000 1.142 46 L HN 0.393 nan 8.230 nan 0.000 0.443 47 P HA -0.091 nan 4.420 nan 0.000 0.222 47 P C 0.899 178.198 177.300 -0.002 0.000 1.153 47 P CA 1.155 64.261 63.100 0.010 0.000 0.798 47 P CB 0.405 32.116 31.700 0.019 0.000 0.796 48 A N 0.417 123.219 122.820 -0.031 0.000 5.668 48 A HA -0.279 4.041 4.320 -0.000 0.000 0.317 48 A C 1.781 179.346 177.584 -0.031 0.000 1.826 48 A CA 1.979 53.981 52.037 -0.058 0.000 0.735 48 A CB -2.346 16.608 19.000 -0.075 0.000 1.336 48 A HN 0.222 nan 8.150 nan 0.000 0.396 49 S N 0.786 116.458 115.700 -0.047 0.000 2.595 49 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 49 S C 1.314 175.912 174.600 -0.003 0.000 0.974 49 S CA 1.074 59.258 58.200 -0.026 0.000 0.942 49 S CB -0.652 62.513 63.200 -0.058 0.000 0.766 49 S HN 0.612 nan 8.310 nan 0.000 0.536 50 N N 1.538 120.246 118.700 0.014 0.000 2.453 50 N HA 0.024 4.764 4.740 -0.000 0.000 0.183 50 N C 1.405 177.017 175.510 0.169 0.000 1.041 50 N CA 0.446 53.524 53.050 0.046 0.000 0.900 50 N CB -0.312 38.203 38.487 0.046 0.000 0.961 50 N HN 0.324 nan 8.380 nan 0.000 0.443 51 M N 0.788 120.493 119.600 0.175 0.000 2.358 51 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 51 M C 1.262 177.742 176.300 0.301 0.000 1.064 51 M CA 1.428 56.882 55.300 0.257 0.000 1.093 51 M CB 0.054 32.722 32.600 0.113 0.000 1.401 51 M HN -0.072 nan 8.290 nan 0.000 0.440 52 K N -0.230 120.284 120.400 0.190 0.000 2.209 52 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 52 K C 1.842 178.547 176.600 0.175 0.000 1.048 52 K CA 1.234 57.630 56.287 0.182 0.000 0.940 52 K CB -0.442 32.066 32.500 0.013 0.000 0.729 52 K HN 0.403 nan 8.250 nan 0.000 0.451 53 L N -0.019 121.280 121.223 0.127 0.000 2.021 53 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 53 L C 2.255 179.269 176.870 0.241 0.000 1.074 53 L CA 1.633 56.546 54.840 0.121 0.000 0.760 53 L CB -0.538 41.518 42.059 -0.005 0.000 0.889 53 L HN 0.110 nan 8.230 nan 0.000 0.433 54 F N -0.378 119.700 119.950 0.212 0.000 2.113 54 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 54 F C 2.705 178.605 175.800 0.167 0.000 1.103 54 F CA 1.665 59.769 58.000 0.173 0.000 1.248 54 F CB -1.093 37.977 39.000 0.117 0.000 0.999 54 F HN -0.021 nan 8.300 nan 0.000 0.475 55 T N 0.006 114.787 114.554 0.378 0.000 2.746 55 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 55 T C 2.280 177.138 174.700 0.263 0.000 1.039 55 T CA 1.323 63.597 62.100 0.290 0.000 1.142 55 T CB -0.717 68.343 68.868 0.319 0.000 0.866 55 T HN 0.297 nan 8.240 nan 0.000 0.444 56 A N 1.654 124.672 122.820 0.330 0.000 1.865 56 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 56 A C 2.696 180.359 177.584 0.131 0.000 1.191 56 A CA 2.010 54.240 52.037 0.321 0.000 0.623 56 A CB -1.291 17.921 19.000 0.354 0.000 0.826 56 A HN 0.513 nan 8.150 nan 0.000 0.444 57 A N -0.230 122.676 122.820 0.143 0.000 1.883 57 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 57 A C 2.522 179.976 177.584 -0.217 0.000 1.186 57 A CA 2.484 54.398 52.037 -0.204 0.000 0.624 57 A CB -1.078 17.862 19.000 -0.099 0.000 0.822 57 A HN 1.141 nan 8.150 nan 0.000 0.444 58 A N -0.390 122.419 122.820 -0.018 0.000 1.930 58 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 58 A C 2.474 180.028 177.584 -0.049 0.000 1.175 58 A CA 1.853 53.890 52.037 0.000 0.000 0.627 58 A CB -0.975 18.068 19.000 0.072 0.000 0.815 58 A HN 1.126 nan 8.150 nan 0.000 0.443 59 A N -0.537 122.262 122.820 -0.035 0.000 2.024 59 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 59 A C 2.117 179.618 177.584 -0.138 0.000 1.164 59 A CA 1.481 53.489 52.037 -0.048 0.000 0.643 59 A CB -0.464 18.545 19.000 0.015 0.000 0.806 59 A HN 0.480 nan 8.150 nan 0.000 0.451 60 L N -1.128 119.915 121.223 -0.300 0.000 2.127 60 L HA -0.061 4.279 4.340 -0.000 0.000 0.203 60 L C 2.596 179.244 176.870 -0.369 0.000 1.080 60 L CA 0.787 55.315 54.840 -0.521 0.000 0.768 60 L CB -0.363 40.951 42.059 -1.242 0.000 0.924 60 L HN 0.292 nan 8.230 nan 0.000 0.444 61 E N -0.147 119.912 120.200 -0.235 0.000 2.051 61 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 61 E C 2.229 178.835 176.600 0.010 0.000 0.991 61 E CA 1.333 57.750 56.400 0.029 0.000 0.799 61 E CB -0.172 29.582 29.700 0.090 0.000 0.748 61 E HN 0.288 nan 8.360 nan 0.000 0.449 62 V N 0.822 120.718 119.914 -0.031 0.000 2.283 62 V HA -0.158 3.962 4.120 -0.000 0.000 0.239 62 V C 2.304 178.372 176.094 -0.043 0.000 1.035 62 V CA 0.915 63.203 62.300 -0.021 0.000 1.018 62 V CB -0.327 31.482 31.823 -0.024 0.000 0.658 62 V HN 0.136 nan 8.190 nan 0.000 0.459 63 L N 0.171 121.334 121.223 -0.100 0.000 2.109 63 L HA 0.324 4.664 4.340 -0.000 0.000 0.207 63 L C 1.194 178.032 176.870 -0.054 0.000 1.086 63 L CA 1.775 56.502 54.840 -0.189 0.000 0.760 63 L CB -1.604 40.239 42.059 -0.360 0.000 0.910 63 L HN 0.604 nan 8.230 nan 0.000 0.437 64 G N -2.249 106.529 108.800 -0.037 0.000 2.719 64 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 64 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 64 G C 0.722 175.638 174.900 0.026 0.000 1.201 64 G CA -0.057 45.053 45.100 0.017 0.000 0.768 64 G HN 0.441 nan 8.290 nan 0.000 0.629 65 A N 0.157 123.008 122.820 0.052 0.000 2.125 65 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 65 A C 2.003 179.621 177.584 0.056 0.000 1.156 65 A CA 2.254 54.333 52.037 0.071 0.000 0.671 65 A CB -0.325 18.753 19.000 0.130 0.000 0.794 65 A HN 1.000 nan 8.150 nan 0.000 0.459 66 D N -1.726 118.699 120.400 0.042 0.000 2.346 66 D HA -0.040 4.599 4.640 -0.000 0.000 0.206 66 D C 0.569 176.839 176.300 -0.050 0.000 1.001 66 D CA -0.129 53.873 54.000 0.003 0.000 0.871 66 D CB -0.603 40.200 40.800 0.004 0.000 0.943 66 D HN 0.612 nan 8.370 nan 0.000 0.518 67 H N 1.826 120.811 119.070 -0.141 0.000 3.094 67 H HA 0.097 4.653 4.556 -0.000 0.000 0.320 67 H C 0.182 175.244 175.328 -0.443 0.000 1.000 67 H CA 0.475 56.359 56.048 -0.272 0.000 1.413 67 H CB 0.540 30.134 29.762 -0.281 0.000 1.405 67 H HN 0.032 nan 8.280 nan 0.000 0.586 68 S N 3.633 118.769 115.700 -0.941 0.000 2.709 68 S HA 0.633 5.103 4.470 -0.000 0.000 0.302 68 S C -1.152 172.825 174.600 -1.039 0.000 1.127 68 S CA -1.008 56.701 58.200 -0.818 0.000 0.905 68 S CB 1.496 64.445 63.200 -0.419 0.000 1.151 68 S HN 0.421 nan 8.310 nan 0.000 0.510 69 F N -0.148 119.677 119.950 -0.208 0.000 2.532 69 F HA 0.745 5.272 4.527 -0.000 0.000 0.321 69 F C 0.860 176.531 175.800 -0.215 0.000 1.089 69 F CA -0.561 57.337 58.000 -0.171 0.000 0.926 69 F CB 2.252 41.203 39.000 -0.082 0.000 1.168 69 F HN 0.964 nan 8.300 nan 0.000 0.459 70 G N 0.314 109.071 108.800 -0.072 0.000 2.454 70 G HA2 0.684 4.644 3.960 -0.000 0.000 0.329 70 G HA3 0.684 4.644 3.960 -0.000 0.000 0.329 70 G C -1.401 173.415 174.900 -0.141 0.000 1.177 70 G CA -0.663 44.351 45.100 -0.143 0.000 0.951 70 G HN 0.542 nan 8.290 nan 0.000 0.485 71 T N 0.748 115.244 114.554 -0.097 0.000 2.993 71 T HA 0.542 4.892 4.350 -0.000 0.000 0.312 71 T C -0.870 173.782 174.700 -0.081 0.000 1.115 71 T CA -0.579 61.463 62.100 -0.097 0.000 1.027 71 T CB 2.289 71.132 68.868 -0.043 0.000 1.116 71 T HN 0.594 nan 8.240 nan 0.000 0.464 72 E N 0.806 120.942 120.200 -0.106 0.000 2.410 72 E HA 0.751 5.101 4.350 -0.000 0.000 0.269 72 E C -1.271 175.283 176.600 -0.077 0.000 0.937 72 E CA -1.095 55.262 56.400 -0.071 0.000 0.793 72 E CB 2.427 32.089 29.700 -0.064 0.000 1.314 72 E HN 0.276 nan 8.360 nan 0.000 0.447 73 V N 0.620 120.523 119.914 -0.018 0.000 2.604 73 V HA 0.801 4.921 4.120 -0.000 0.000 0.305 73 V C -0.729 175.426 176.094 0.103 0.000 1.043 73 V CA -0.684 61.634 62.300 0.030 0.000 0.888 73 V CB 1.470 33.345 31.823 0.087 0.000 0.995 73 V HN 0.777 nan 8.190 nan 0.000 0.429 74 A N 3.007 125.938 122.820 0.185 0.000 2.475 74 A HA 1.045 5.365 4.320 -0.000 0.000 0.301 74 A C -0.473 177.342 177.584 0.385 0.000 1.059 74 A CA -0.121 52.063 52.037 0.246 0.000 0.710 74 A CB 1.998 21.134 19.000 0.226 0.000 1.288 74 A HN 1.616 nan 8.150 nan 0.000 0.408 75 A N 0.345 123.347 122.820 0.303 0.000 2.532 75 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 75 A C 0.569 178.068 177.584 -0.141 0.000 1.143 75 A CA 0.222 52.398 52.037 0.232 0.000 0.728 75 A CB 0.833 19.904 19.000 0.117 0.000 1.317 75 A HN 1.010 nan 8.150 nan 0.000 0.414 76 E N 0.080 119.864 120.200 -0.694 0.000 2.118 76 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 76 E C 0.508 176.847 176.600 -0.436 0.000 0.992 76 E CA 1.775 57.558 56.400 -1.029 0.000 0.804 76 E CB 0.014 29.033 29.700 -1.135 0.000 0.741 76 E HN 0.808 nan 8.360 nan 0.000 0.458 77 S N -2.046 113.504 115.700 -0.249 0.000 2.655 77 S HA 0.617 5.087 4.470 -0.000 0.000 0.266 77 S C -0.540 174.015 174.600 -0.075 0.000 1.149 77 S CA -0.843 57.278 58.200 -0.132 0.000 0.818 77 S CB 0.539 63.664 63.200 -0.125 0.000 1.130 77 S HN 0.295 nan 8.310 nan 0.000 0.476 78 A N 1.298 124.090 122.820 -0.047 0.000 2.609 78 A HA 0.504 4.824 4.320 -0.000 0.000 0.235 78 A C -1.968 175.602 177.584 -0.024 0.000 1.092 78 A CA 0.092 52.114 52.037 -0.025 0.000 0.780 78 A CB -1.486 17.502 19.000 -0.020 0.000 1.031 78 A HN 0.674 nan 8.150 nan 0.000 0.515 79 P HA 0.526 nan 4.420 nan 0.000 0.307 79 P C 0.304 177.597 177.300 -0.012 0.000 1.306 79 P CA 0.057 63.152 63.100 -0.009 0.000 0.742 79 P CB 0.359 32.060 31.700 0.000 0.000 1.349 80 G N -1.621 107.174 108.800 -0.009 0.000 2.644 80 G HA2 0.333 4.293 3.960 -0.000 0.000 0.307 80 G HA3 0.333 4.293 3.960 -0.000 0.000 0.307 80 G C 0.554 175.449 174.900 -0.008 0.000 1.250 80 G CA -0.672 44.423 45.100 -0.010 0.000 0.996 80 G HN 0.443 nan 8.290 nan 0.000 0.489 81 R N -0.599 119.897 120.500 -0.008 0.000 2.139 81 R HA -0.077 4.263 4.340 -0.000 0.000 0.243 81 R C 1.755 178.051 176.300 -0.006 0.000 1.145 81 R CA 1.414 57.510 56.100 -0.007 0.000 0.976 81 R CB -0.066 30.230 30.300 -0.007 0.000 0.866 81 R HN 0.452 nan 8.270 nan 0.000 0.449 82 R N -0.987 119.510 120.500 -0.006 0.000 2.427 82 R HA 0.165 4.505 4.340 -0.000 0.000 0.262 82 R C 0.241 176.537 176.300 -0.006 0.000 0.943 82 R CA 0.484 56.580 56.100 -0.006 0.000 1.081 82 R CB 1.015 31.312 30.300 -0.006 0.000 1.166 82 R HN 0.445 nan 8.270 nan 0.000 0.534 83 G N 1.570 110.367 108.800 -0.006 0.000 2.256 83 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.272 83 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.272 83 G C -0.441 174.457 174.900 -0.003 0.000 1.076 83 G CA -0.032 45.065 45.100 -0.005 0.000 0.882 83 G HN 0.385 nan 8.290 nan 0.000 0.497 84 E N -1.216 118.983 120.200 -0.002 0.000 2.212 84 E HA 0.696 5.046 4.350 -0.000 0.000 0.268 84 E C 0.187 176.790 176.600 0.004 0.000 0.902 84 E CA -0.705 55.695 56.400 0.001 0.000 0.779 84 E CB 2.756 32.456 29.700 -0.000 0.000 1.172 84 E HN 0.743 nan 8.360 nan 0.000 0.409 85 V N -0.574 119.348 119.914 0.014 0.000 3.078 85 V HA 0.360 4.480 4.120 -0.000 0.000 0.311 85 V C 0.304 176.421 176.094 0.038 0.000 1.138 85 V CA -0.910 61.403 62.300 0.022 0.000 1.007 85 V CB 1.901 33.748 31.823 0.040 0.000 1.045 85 V HN 0.592 nan 8.190 nan 0.000 0.432 86 Q N 0.728 120.558 119.800 0.051 0.000 1.838 86 Q HA 0.176 4.516 4.340 -0.000 0.000 0.242 86 Q C -0.018 176.053 176.000 0.118 0.000 0.966 86 Q CA 1.340 57.189 55.803 0.078 0.000 0.870 86 Q CB 0.027 28.819 28.738 0.089 0.000 0.911 86 Q HN 0.919 nan 8.270 nan 0.000 0.434 87 D N 0.230 120.759 120.400 0.214 0.000 2.229 87 D HA 0.395 5.035 4.640 -0.000 0.000 0.249 87 D C -0.550 175.938 176.300 0.313 0.000 1.027 87 D CA -0.211 53.950 54.000 0.269 0.000 0.923 87 D CB 1.321 42.390 40.800 0.447 0.000 1.174 87 D HN 0.082 nan 8.370 nan 0.000 0.443 88 L N 1.993 123.316 121.223 0.168 0.000 2.408 88 L HA 0.373 4.713 4.340 -0.000 0.000 0.268 88 L C -1.485 175.416 176.870 0.051 0.000 0.986 88 L CA -0.780 54.182 54.840 0.204 0.000 0.820 88 L CB 1.519 43.678 42.059 0.167 0.000 1.303 88 L HN 0.374 nan 8.230 nan 0.000 0.411 89 Y N 3.713 124.144 120.300 0.219 0.000 2.341 89 Y HA 0.369 4.919 4.550 -0.000 0.000 0.338 89 Y C -0.165 175.735 175.900 -0.001 0.000 0.965 89 Y CA -0.631 57.543 58.100 0.124 0.000 1.108 89 Y CB 2.081 40.574 38.460 0.054 0.000 1.180 89 Y HN 0.356 nan 8.280 nan 0.000 0.458 90 L N 5.235 126.463 121.223 0.008 0.000 2.257 90 L HA 0.672 5.012 4.340 -0.000 0.000 0.290 90 L C -1.205 175.607 176.870 -0.097 0.000 1.044 90 L CA -0.465 54.239 54.840 -0.227 0.000 0.810 90 L CB 0.630 42.365 42.059 -0.539 0.000 1.193 90 L HN 0.403 nan 8.230 nan 0.000 0.425 91 V N 5.342 125.192 119.914 -0.107 0.000 2.350 91 V HA 0.652 4.772 4.120 -0.000 0.000 0.285 91 V C 0.645 176.649 176.094 -0.149 0.000 1.014 91 V CA -0.407 61.839 62.300 -0.090 0.000 0.831 91 V CB 1.103 32.879 31.823 -0.078 0.000 1.000 91 V HN 0.902 nan 8.190 nan 0.000 0.433 92 G N 3.571 112.277 108.800 -0.156 0.000 2.348 92 G HA2 0.596 4.556 3.960 -0.000 0.000 0.312 92 G HA3 0.596 4.556 3.960 -0.000 0.000 0.312 92 G C -0.039 174.679 174.900 -0.303 0.000 1.126 92 G CA -0.641 44.337 45.100 -0.202 0.000 0.865 92 G HN 0.685 nan 8.290 nan 0.000 0.474 93 R N 1.519 121.782 120.500 -0.395 0.000 2.989 93 R HA 0.360 4.699 4.340 -0.000 0.000 0.340 93 R C 0.996 177.030 176.300 -0.443 0.000 1.205 93 R CA 0.198 55.869 56.100 -0.715 0.000 1.235 93 R CB 0.886 30.551 30.300 -1.058 0.000 1.394 93 R HN 0.963 nan 8.270 nan 0.000 0.598 94 G N 0.931 109.482 108.800 -0.415 0.000 2.137 94 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 94 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 94 G C -0.359 174.272 174.900 -0.450 0.000 1.002 94 G CA 0.057 44.934 45.100 -0.372 0.000 0.702 94 G HN 0.463 nan 8.290 nan 0.000 0.515 95 D N 0.556 120.779 120.400 -0.296 0.000 2.346 95 D HA 0.399 5.039 4.640 -0.000 0.000 0.260 95 D C -0.469 175.670 176.300 -0.268 0.000 1.252 95 D CA -1.904 51.944 54.000 -0.252 0.000 0.895 95 D CB 1.213 41.990 40.800 -0.038 0.000 1.097 95 D HN 0.186 nan 8.370 nan 0.000 0.489 96 P HA 0.031 nan 4.420 nan 0.000 0.231 96 P C 0.514 177.685 177.300 -0.214 0.000 1.168 96 P CA 0.661 63.577 63.100 -0.307 0.000 0.779 96 P CB 0.217 31.541 31.700 -0.627 0.000 0.844 97 T N -3.517 110.862 114.554 -0.292 0.000 3.308 97 T HA 0.260 4.610 4.350 -0.000 0.000 0.270 97 T C 0.121 174.682 174.700 -0.232 0.000 0.992 97 T CA -0.470 61.346 62.100 -0.472 0.000 0.931 97 T CB -0.771 67.480 68.868 -1.029 0.000 1.142 97 T HN -0.067 nan 8.240 nan 0.000 0.525 98 L N 3.605 124.786 121.223 -0.071 0.000 2.361 98 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 98 L C 0.373 177.256 176.870 0.022 0.000 1.113 98 L CA -0.155 54.665 54.840 -0.034 0.000 0.849 98 L CB 0.684 42.720 42.059 -0.038 0.000 1.155 98 L HN 0.619 nan 8.230 nan 0.000 0.452 99 S N 3.103 118.809 115.700 0.010 0.000 2.718 99 S HA 0.517 4.987 4.470 -0.000 0.000 0.300 99 S C 0.880 175.491 174.600 0.019 0.000 1.117 99 S CA -0.225 58.014 58.200 0.066 0.000 1.002 99 S CB 1.817 65.086 63.200 0.115 0.000 1.092 99 S HN 0.677 nan 8.310 nan 0.000 0.542 100 A N 0.784 123.625 122.820 0.035 0.000 2.019 100 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 100 A C 2.128 179.718 177.584 0.011 0.000 1.164 100 A CA 1.323 53.376 52.037 0.027 0.000 0.644 100 A CB -0.830 18.188 19.000 0.031 0.000 0.805 100 A HN 0.921 nan 8.150 nan 0.000 0.449 101 E N 0.165 120.366 120.200 0.002 0.000 2.076 101 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 101 E C 0.851 177.429 176.600 -0.036 0.000 0.979 101 E CA 1.100 57.495 56.400 -0.008 0.000 0.807 101 E CB -0.649 29.051 29.700 0.000 0.000 0.761 101 E HN 0.456 nan 8.360 nan 0.000 0.454 102 D N 1.731 122.079 120.400 -0.088 0.000 2.116 102 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 102 D C 2.290 178.511 176.300 -0.132 0.000 0.998 102 D CA 0.946 54.809 54.000 -0.229 0.000 0.836 102 D CB -0.321 40.220 40.800 -0.432 0.000 0.951 102 D HN 0.172 nan 8.370 nan 0.000 0.449 103 L N 0.753 121.951 121.223 -0.041 0.000 1.989 103 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 103 L C 2.346 179.290 176.870 0.122 0.000 1.071 103 L CA 1.505 56.401 54.840 0.092 0.000 0.749 103 L CB -0.583 41.564 42.059 0.148 0.000 0.890 103 L HN 0.102 nan 8.230 nan 0.000 0.431 104 D N 0.391 120.818 120.400 0.045 0.000 2.116 104 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 104 D C 2.065 178.375 176.300 0.016 0.000 0.998 104 D CA 1.658 55.665 54.000 0.012 0.000 0.836 104 D CB 0.294 41.090 40.800 -0.007 0.000 0.951 104 D HN 0.315 nan 8.370 nan 0.000 0.449 105 A N 0.574 123.401 122.820 0.011 0.000 1.986 105 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 105 A C 2.394 180.006 177.584 0.048 0.000 1.171 105 A CA 1.545 53.594 52.037 0.019 0.000 0.640 105 A CB -0.528 18.478 19.000 0.009 0.000 0.811 105 A HN 0.348 nan 8.150 nan 0.000 0.451 106 M N -1.249 118.400 119.600 0.082 0.000 2.288 106 M HA -0.014 4.465 4.480 -0.000 0.000 0.266 106 M C 2.502 178.916 176.300 0.190 0.000 1.072 106 M CA 1.046 56.434 55.300 0.147 0.000 1.132 106 M CB -0.245 32.463 32.600 0.181 0.000 1.386 106 M HN 0.475 nan 8.290 nan 0.000 0.432 107 A N 0.481 123.387 122.820 0.143 0.000 1.930 107 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 107 A C 2.324 179.893 177.584 -0.026 0.000 1.175 107 A CA 1.730 53.748 52.037 -0.031 0.000 0.627 107 A CB -0.767 18.100 19.000 -0.221 0.000 0.815 107 A HN 0.469 nan 8.150 nan 0.000 0.443 108 A N -0.176 122.641 122.820 -0.004 0.000 1.933 108 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 108 A C 1.922 179.513 177.584 0.012 0.000 1.175 108 A CA 1.612 53.646 52.037 -0.005 0.000 0.628 108 A CB -0.469 18.531 19.000 0.000 0.000 0.814 108 A HN 0.630 nan 8.150 nan 0.000 0.444 109 E N -0.491 119.730 120.200 0.035 0.000 2.150 109 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 109 E C 1.971 178.597 176.600 0.045 0.000 0.985 109 E CA 1.042 57.467 56.400 0.042 0.000 0.814 109 E CB -0.184 29.550 29.700 0.057 0.000 0.752 109 E HN 0.406 nan 8.360 nan 0.000 0.466 110 V N 1.261 121.210 119.914 0.059 0.000 2.295 110 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 110 V C 2.234 178.343 176.094 0.025 0.000 1.049 110 V CA 1.950 64.287 62.300 0.061 0.000 1.024 110 V CB -0.464 31.413 31.823 0.089 0.000 0.648 110 V HN 0.299 nan 8.190 nan 0.000 0.447 111 A N -0.746 122.076 122.820 0.003 0.000 2.119 111 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 111 A C 2.281 179.864 177.584 -0.002 0.000 1.152 111 A CA 1.404 53.435 52.037 -0.009 0.000 0.708 111 A CB -0.397 18.587 19.000 -0.026 0.000 0.805 111 A HN 0.530 nan 8.150 nan 0.000 0.460 112 A N 0.477 123.300 122.820 0.006 0.000 1.872 112 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 112 A C 2.156 179.745 177.584 0.008 0.000 1.187 112 A CA 1.672 53.713 52.037 0.007 0.000 0.614 112 A CB -0.832 18.175 19.000 0.011 0.000 0.826 112 A HN 0.956 nan 8.150 nan 0.000 0.442 113 S N -0.773 114.935 115.700 0.013 0.000 2.851 113 S HA 0.403 4.873 4.470 -0.000 0.000 0.227 113 S C 0.969 175.574 174.600 0.009 0.000 0.958 113 S CA 0.612 58.819 58.200 0.011 0.000 0.990 113 S CB -0.944 62.265 63.200 0.016 0.000 0.790 113 S HN 1.962 nan 8.310 nan 0.000 0.509 114 G N 0.160 108.963 108.800 0.005 0.000 2.341 114 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.278 114 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.278 114 G C -0.339 174.561 174.900 0.001 0.000 1.111 114 G CA -0.185 44.915 45.100 0.001 0.000 0.982 114 G HN 0.717 nan 8.290 nan 0.000 0.502 115 V N 0.587 120.501 119.914 0.001 0.000 2.347 115 V HA 0.512 4.632 4.120 -0.000 0.000 0.280 115 V C 1.334 177.422 176.094 -0.011 0.000 1.021 115 V CA 0.136 62.437 62.300 0.000 0.000 0.847 115 V CB 1.407 33.237 31.823 0.012 0.000 0.990 115 V HN 0.595 nan 8.190 nan 0.000 0.444 116 R N 3.439 123.932 120.500 -0.012 0.000 2.175 116 R HA 0.184 4.524 4.340 -0.000 0.000 0.202 116 R C 0.215 176.502 176.300 -0.021 0.000 1.018 116 R CA 0.748 56.837 56.100 -0.018 0.000 1.029 116 R CB 0.574 30.866 30.300 -0.014 0.000 0.959 116 R HN 0.685 nan 8.270 nan 0.000 0.480 117 T N 0.279 114.824 114.554 -0.015 0.000 2.912 117 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 117 T C -1.417 173.279 174.700 -0.007 0.000 1.052 117 T CA -0.607 61.483 62.100 -0.016 0.000 0.996 117 T CB 2.510 71.371 68.868 -0.012 0.000 1.070 117 T HN -0.183 nan 8.240 nan 0.000 0.465 118 V N 3.443 123.350 119.914 -0.011 0.000 2.350 118 V HA 0.344 4.464 4.120 -0.000 0.000 0.276 118 V C 1.109 177.202 176.094 -0.001 0.000 1.028 118 V CA -0.490 61.811 62.300 0.002 0.000 0.860 118 V CB 1.278 33.102 31.823 0.001 0.000 0.990 118 V HN 0.683 nan 8.190 nan 0.000 0.453 119 R N 3.834 124.341 120.500 0.011 0.000 2.127 119 R HA 0.187 4.527 4.340 -0.000 0.000 0.217 119 R C 1.287 177.593 176.300 0.011 0.000 1.074 119 R CA 1.319 57.425 56.100 0.010 0.000 0.991 119 R CB -0.226 30.083 30.300 0.015 0.000 0.895 119 R HN 0.786 nan 8.270 nan 0.000 0.450 120 G N -1.080 107.733 108.800 0.021 0.000 3.365 120 G HA2 0.173 4.133 3.960 -0.000 0.000 0.185 120 G HA3 0.173 4.133 3.960 -0.000 0.000 0.185 120 G C -0.744 174.135 174.900 -0.034 0.000 1.565 120 G CA -0.344 44.768 45.100 0.019 0.000 0.984 120 G HN 0.150 nan 8.290 nan 0.000 0.604 121 D N -0.505 119.849 120.400 -0.078 0.000 2.326 121 D HA 0.489 5.129 4.640 -0.000 0.000 0.248 121 D C -0.960 175.126 176.300 -0.358 0.000 1.001 121 D CA -0.294 53.548 54.000 -0.262 0.000 0.961 121 D CB 2.646 43.184 40.800 -0.436 0.000 1.183 121 D HN 0.149 nan 8.370 nan 0.000 0.502 122 L N 1.364 122.336 121.223 -0.417 0.000 2.307 122 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 122 L C -1.685 174.894 176.870 -0.486 0.000 1.023 122 L CA -0.378 54.273 54.840 -0.316 0.000 0.810 122 L CB 0.851 42.858 42.059 -0.087 0.000 1.231 122 L HN 0.269 nan 8.230 nan 0.000 0.423 123 Y N 3.428 123.577 120.300 -0.251 0.000 2.425 123 Y HA 0.742 5.292 4.550 -0.000 0.000 0.344 123 Y C 0.058 175.890 175.900 -0.113 0.000 0.969 123 Y CA -0.897 57.049 58.100 -0.256 0.000 1.052 123 Y CB 2.208 40.311 38.460 -0.594 0.000 1.215 123 Y HN 0.724 nan 8.280 nan 0.000 0.451 124 A N 2.485 125.388 122.820 0.138 0.000 2.258 124 A HA 0.361 4.681 4.320 -0.000 0.000 0.316 124 A C -1.156 176.491 177.584 0.105 0.000 1.279 124 A CA -0.548 51.535 52.037 0.076 0.000 0.876 124 A CB 0.263 19.287 19.000 0.039 0.000 1.170 124 A HN 0.647 nan 8.150 nan 0.000 0.520 125 D N 2.963 123.417 120.400 0.091 0.000 2.427 125 D HA 0.213 4.853 4.640 -0.000 0.000 0.226 125 D C -0.653 175.652 176.300 0.009 0.000 1.076 125 D CA -0.262 53.782 54.000 0.073 0.000 0.849 125 D CB 1.157 42.017 40.800 0.099 0.000 1.052 125 D HN 0.528 nan 8.370 nan 0.000 0.515 126 D N 1.865 122.272 120.400 0.012 0.000 2.670 126 D HA -0.039 4.601 4.640 -0.000 0.000 0.255 126 D C 0.942 177.252 176.300 0.018 0.000 1.286 126 D CA -0.242 53.751 54.000 -0.012 0.000 0.830 126 D CB -0.128 40.669 40.800 -0.005 0.000 1.065 126 D HN 0.278 nan 8.370 nan 0.000 0.486 127 T N -4.589 109.987 114.554 0.037 0.000 3.100 127 T HA -0.067 4.283 4.350 -0.000 0.000 0.253 127 T C 1.488 176.249 174.700 0.103 0.000 1.118 127 T CA -0.342 61.788 62.100 0.051 0.000 1.058 127 T CB -0.770 68.107 68.868 0.016 0.000 0.953 127 T HN 0.371 nan 8.240 nan 0.000 0.515 128 W N 1.324 122.563 121.300 -0.101 0.000 2.325 128 W HA 0.009 4.669 4.660 -0.000 0.000 0.299 128 W C -0.693 175.884 176.519 0.097 0.000 1.215 128 W CA 0.430 57.723 57.345 -0.087 0.000 1.244 128 W CB -0.022 29.300 29.460 -0.229 0.000 1.140 128 W HN 0.131 nan 8.180 nan 0.000 0.523 129 F N 1.423 121.352 119.950 -0.035 0.000 2.509 129 F HA 0.187 4.714 4.527 -0.000 0.000 0.334 129 F C 0.705 176.423 175.800 -0.138 0.000 1.060 129 F CA -2.066 55.834 58.000 -0.166 0.000 0.997 129 F CB -0.355 38.556 39.000 -0.149 0.000 1.271 129 F HN -0.229 nan 8.300 nan 0.000 0.488 130 D N -1.190 119.221 120.400 0.019 0.000 2.371 130 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 130 D C 0.405 176.706 176.300 0.002 0.000 1.218 130 D CA -0.304 53.682 54.000 -0.024 0.000 0.945 130 D CB 0.476 41.230 40.800 -0.075 0.000 1.137 130 D HN 0.346 nan 8.370 nan 0.000 0.464 131 S N -1.717 113.989 115.700 0.009 0.000 2.573 131 S HA 0.063 4.533 4.470 -0.000 0.000 0.244 131 S C 0.328 174.949 174.600 0.035 0.000 0.984 131 S CA -0.719 57.499 58.200 0.030 0.000 1.001 131 S CB -0.591 62.630 63.200 0.035 0.000 0.788 131 S HN 0.556 nan 8.310 nan 0.000 0.456 132 E N 1.739 121.951 120.200 0.019 0.000 2.003 132 E HA 0.178 4.528 4.350 -0.000 0.000 0.279 132 E C 0.644 177.322 176.600 0.129 0.000 1.132 132 E CA -0.520 55.933 56.400 0.090 0.000 0.888 132 E CB 0.329 30.121 29.700 0.153 0.000 1.056 132 E HN 0.210 nan 8.360 nan 0.000 0.399 133 R N 2.694 123.283 120.500 0.149 0.000 2.090 133 R HA 0.111 4.451 4.340 -0.000 0.000 0.228 133 R C 0.441 176.908 176.300 0.278 0.000 1.110 133 R CA 0.810 57.017 56.100 0.179 0.000 0.973 133 R CB -0.289 30.101 30.300 0.151 0.000 0.869 133 R HN 0.429 nan 8.270 nan 0.000 0.440 134 L N -0.314 121.019 121.223 0.184 0.000 2.388 134 L HA 0.398 4.738 4.340 -0.000 0.000 0.264 134 L C -0.402 176.129 176.870 -0.565 0.000 0.998 134 L CA -1.045 53.730 54.840 -0.109 0.000 0.817 134 L CB 2.548 44.689 42.059 0.137 0.000 1.338 134 L HN -0.354 nan 8.230 nan 0.000 0.414 135 V N 1.421 120.405 119.914 -1.550 0.000 2.637 135 V HA -0.038 4.082 4.120 -0.000 0.000 0.296 135 V C 0.661 176.343 176.094 -0.687 0.000 1.046 135 V CA 0.069 61.467 62.300 -1.503 0.000 1.066 135 V CB 0.972 31.541 31.823 -2.091 0.000 0.968 135 V HN 1.009 nan 8.190 nan 0.000 0.483 136 D N 3.882 124.029 120.400 -0.422 0.000 2.268 136 D HA -0.310 4.330 4.640 -0.000 0.000 0.189 136 D C 1.167 177.429 176.300 -0.063 0.000 1.010 136 D CA 2.126 56.020 54.000 -0.177 0.000 0.862 136 D CB -0.329 40.390 40.800 -0.134 0.000 0.943 136 D HN 0.797 nan 8.370 nan 0.000 0.451 137 D N -1.856 118.519 120.400 -0.042 0.000 2.368 137 D HA -0.030 4.610 4.640 -0.000 0.000 0.218 137 D C -0.132 176.383 176.300 0.358 0.000 1.112 137 D CA -0.710 53.374 54.000 0.140 0.000 0.834 137 D CB -0.638 40.225 40.800 0.105 0.000 0.953 137 D HN 0.204 nan 8.370 nan 0.000 0.505 138 W N 0.852 122.195 121.300 0.071 0.000 2.123 138 W HA 0.221 4.881 4.660 -0.000 0.000 0.351 138 W C 0.326 177.052 176.519 0.345 0.000 1.292 138 W CA -0.695 56.712 57.345 0.105 0.000 1.263 138 W CB 0.032 29.511 29.460 0.033 0.000 1.165 138 W HN -0.047 nan 8.180 nan 0.000 0.590 139 W N 3.044 124.461 121.300 0.196 0.000 2.349 139 W HA 0.271 4.931 4.660 -0.000 0.000 0.309 139 W C -1.228 175.354 176.519 0.104 0.000 1.083 139 W CA -2.797 54.618 57.345 0.117 0.000 1.224 139 W CB 0.058 29.567 29.460 0.082 0.000 1.256 139 W HN 0.153 nan 8.180 nan 0.000 0.461 140 P HA -0.226 nan 4.420 nan 0.000 0.217 140 P C 0.896 178.272 177.300 0.126 0.000 1.148 140 P CA 1.878 65.072 63.100 0.157 0.000 0.828 140 P CB 0.470 32.223 31.700 0.089 0.000 0.783 141 E N -0.809 119.489 120.200 0.164 0.000 2.338 141 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 141 E C 1.091 177.796 176.600 0.174 0.000 1.007 141 E CA 0.891 57.380 56.400 0.149 0.000 0.849 141 E CB -0.758 29.049 29.700 0.179 0.000 0.774 141 E HN 0.338 nan 8.360 nan 0.000 0.506 142 D N 0.197 120.718 120.400 0.203 0.000 2.350 142 D HA -0.013 4.627 4.640 -0.000 0.000 0.213 142 D C 1.015 177.261 176.300 -0.090 0.000 1.031 142 D CA 0.230 54.351 54.000 0.202 0.000 0.861 142 D CB 0.088 41.036 40.800 0.247 0.000 0.926 142 D HN 0.268 nan 8.370 nan 0.000 0.520 143 E N 0.407 120.544 120.200 -0.106 0.000 2.204 143 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 143 E C -0.926 175.490 176.600 -0.306 0.000 0.989 143 E CA 0.610 56.925 56.400 -0.141 0.000 0.824 143 E CB -0.432 29.253 29.700 -0.024 0.000 0.756 143 E HN 0.289 nan 8.360 nan 0.000 0.477 144 P HA -0.082 nan 4.420 nan 0.000 0.242 144 P C -0.712 176.177 177.300 -0.686 0.000 1.197 144 P CA 0.862 63.581 63.100 -0.636 0.000 0.765 144 P CB -0.048 31.210 31.700 -0.736 0.000 0.936 145 Y N -1.529 118.596 120.300 -0.292 0.000 2.361 145 Y HA 0.513 5.063 4.550 -0.000 0.000 0.332 145 Y C 1.891 177.534 175.900 -0.428 0.000 1.101 145 Y CA -1.260 56.591 58.100 -0.415 0.000 1.137 145 Y CB 0.804 38.856 38.460 -0.680 0.000 1.207 145 Y HN -0.236 nan 8.280 nan 0.000 0.463 146 A N 2.447 125.212 122.820 -0.092 0.000 1.971 146 A HA -0.322 3.998 4.320 -0.000 0.000 0.222 146 A C 1.747 179.303 177.584 -0.045 0.000 1.182 146 A CA 2.553 54.560 52.037 -0.049 0.000 0.649 146 A CB -1.335 17.669 19.000 0.006 0.000 0.818 146 A HN 0.966 nan 8.150 nan 0.000 0.458 147 Y N -1.634 118.675 120.300 0.016 0.000 2.497 147 Y HA 0.212 4.762 4.550 -0.000 0.000 0.292 147 Y C 1.858 177.671 175.900 -0.145 0.000 1.137 147 Y CA 0.939 59.007 58.100 -0.053 0.000 1.285 147 Y CB -0.684 37.726 38.460 -0.083 0.000 0.991 147 Y HN 0.210 nan 8.280 nan 0.000 0.556 148 S N 0.437 115.950 115.700 -0.312 0.000 2.664 148 S HA 0.610 5.080 4.470 -0.000 0.000 0.245 148 S C 0.639 175.215 174.600 -0.041 0.000 1.019 148 S CA -0.251 57.778 58.200 -0.286 0.000 0.996 148 S CB -1.093 61.904 63.200 -0.339 0.000 0.878 148 S HN 0.622 nan 8.310 nan 0.000 0.493 149 A N 1.623 124.452 122.820 0.016 0.000 2.555 149 A HA 0.256 4.576 4.320 -0.000 0.000 0.233 149 A C 0.441 178.178 177.584 0.256 0.000 1.060 149 A CA 0.174 52.276 52.037 0.109 0.000 0.759 149 A CB 0.093 19.152 19.000 0.098 0.000 0.995 149 A HN 0.728 nan 8.150 nan 0.000 0.506 150 Q N 0.324 120.260 119.800 0.226 0.000 2.394 150 Q HA 0.315 4.655 4.340 -0.000 0.000 0.248 150 Q C -0.574 175.571 176.000 0.242 0.000 0.992 150 Q CA -0.286 55.672 55.803 0.259 0.000 0.888 150 Q CB 0.705 29.551 28.738 0.180 0.000 1.257 150 Q HN 0.545 nan 8.270 nan 0.000 0.462 151 I N 1.308 122.023 120.570 0.243 0.000 2.359 151 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 151 I C 0.043 176.241 176.117 0.136 0.000 0.987 151 I CA 0.002 61.411 61.300 0.181 0.000 1.225 151 I CB 1.070 39.138 38.000 0.114 0.000 1.366 151 I HN 0.540 nan 8.210 nan 0.000 0.466 152 S N 3.561 119.367 115.700 0.177 0.000 2.547 152 S HA 0.654 5.124 4.470 -0.000 0.000 0.270 152 S C 0.558 175.225 174.600 0.111 0.000 1.150 152 S CA 0.065 58.364 58.200 0.165 0.000 0.850 152 S CB 1.707 64.958 63.200 0.086 0.000 1.118 152 S HN 0.693 nan 8.310 nan 0.000 0.461 153 A N 2.883 125.632 122.820 -0.118 0.000 2.015 153 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 153 A C 0.822 178.253 177.584 -0.254 0.000 1.163 153 A CA 0.790 52.511 52.037 -0.527 0.000 0.646 153 A CB -0.304 18.264 19.000 -0.720 0.000 0.806 153 A HN 0.730 nan 8.150 nan 0.000 0.448 154 L N 0.743 121.891 121.223 -0.126 0.000 2.295 154 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 154 L C -0.835 176.009 176.870 -0.043 0.000 1.018 154 L CA 0.009 54.794 54.840 -0.092 0.000 0.841 154 L CB 1.317 43.329 42.059 -0.079 0.000 1.218 154 L HN 0.184 nan 8.230 nan 0.000 0.424 155 T N 3.215 117.749 114.554 -0.034 0.000 2.993 155 T HA 0.459 4.809 4.350 -0.000 0.000 0.312 155 T C -1.041 173.671 174.700 0.019 0.000 1.115 155 T CA -0.291 61.815 62.100 0.010 0.000 1.027 155 T CB 1.704 70.601 68.868 0.049 0.000 1.116 155 T HN 0.137 nan 8.240 nan 0.000 0.464 156 V N 4.175 124.113 119.914 0.039 0.000 2.407 156 V HA 0.732 4.852 4.120 -0.000 0.000 0.278 156 V C 0.730 176.897 176.094 0.123 0.000 1.037 156 V CA -0.751 61.587 62.300 0.063 0.000 0.900 156 V CB 1.021 32.876 31.823 0.053 0.000 0.983 156 V HN 1.088 nan 8.190 nan 0.000 0.459 157 A N 3.676 126.595 122.820 0.166 0.000 2.301 157 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 157 A C -0.363 177.388 177.584 0.278 0.000 1.185 157 A CA -0.336 51.863 52.037 0.271 0.000 0.830 157 A CB 0.018 19.248 19.000 0.383 0.000 1.112 157 A HN 1.030 nan 8.150 nan 0.000 0.508 158 H N 1.611 120.775 119.070 0.157 0.000 2.487 158 H HA 0.519 5.075 4.556 -0.000 0.000 0.333 158 H C 0.904 176.246 175.328 0.024 0.000 1.114 158 H CA 0.993 57.091 56.048 0.084 0.000 1.310 158 H CB 0.903 30.696 29.762 0.051 0.000 1.462 158 H HN 1.479 nan 8.280 nan 0.000 0.516 159 G N 3.264 111.727 108.800 -0.560 0.000 2.801 159 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 159 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 159 G C 0.827 175.482 174.900 -0.408 0.000 1.385 159 G CA 0.337 45.186 45.100 -0.418 0.000 0.894 159 G HN 0.933 nan 8.290 nan 0.000 0.562 160 E N -0.384 119.596 120.200 -0.366 0.000 2.427 160 E HA 0.019 4.368 4.350 -0.000 0.000 0.196 160 E C 2.130 178.465 176.600 -0.443 0.000 1.028 160 E CA 0.849 56.959 56.400 -0.484 0.000 0.864 160 E CB 0.071 29.654 29.700 -0.195 0.000 0.813 160 E HN 0.565 nan 8.360 nan 0.000 0.514 161 R N -0.385 119.933 120.500 -0.303 0.000 2.276 161 R HA 0.139 4.479 4.340 -0.000 0.000 0.196 161 R C -0.294 176.036 176.300 0.050 0.000 0.961 161 R CA 0.261 56.246 56.100 -0.191 0.000 1.024 161 R CB -0.115 29.890 30.300 -0.492 0.000 0.940 161 R HN 0.126 nan 8.270 nan 0.000 0.480 162 F N 1.080 121.143 119.950 0.189 0.000 3.030 162 F HA -0.219 4.308 4.527 -0.000 0.000 0.309 162 F C -0.775 175.149 175.800 0.207 0.000 0.941 162 F CA 0.004 58.147 58.000 0.238 0.000 1.082 162 F CB -1.444 37.769 39.000 0.355 0.000 1.113 162 F HN 0.054 nan 8.300 nan 0.000 0.716 163 D N 1.828 122.379 120.400 0.251 0.000 2.344 163 D HA 0.138 4.778 4.640 -0.000 0.000 0.253 163 D C 0.846 177.265 176.300 0.198 0.000 1.255 163 D CA 0.457 54.553 54.000 0.159 0.000 0.894 163 D CB 0.963 41.819 40.800 0.092 0.000 1.067 163 D HN 0.304 nan 8.370 nan 0.000 0.492 164 T N -1.172 113.498 114.554 0.192 0.000 2.919 164 T HA 0.426 4.776 4.350 -0.000 0.000 0.302 164 T C 1.303 176.080 174.700 0.128 0.000 1.031 164 T CA -0.091 62.117 62.100 0.180 0.000 1.127 164 T CB 1.544 70.531 68.868 0.198 0.000 0.952 164 T HN 0.555 nan 8.240 nan 0.000 0.540 165 G N 0.943 109.810 108.800 0.111 0.000 2.143 165 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.249 165 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.249 165 G C 0.071 175.011 174.900 0.067 0.000 0.981 165 G CA 0.116 45.269 45.100 0.088 0.000 0.665 165 G HN 1.841 nan 8.290 nan 0.000 0.528 166 V N -3.207 116.743 119.914 0.059 0.000 3.103 166 V HA 0.983 5.103 4.120 -0.000 0.000 0.318 166 V C 0.057 176.162 176.094 0.018 0.000 1.114 166 V CA -0.112 62.200 62.300 0.019 0.000 1.020 166 V CB 1.976 33.785 31.823 -0.024 0.000 1.085 166 V HN 0.802 nan 8.190 nan 0.000 0.446 167 T N 0.515 115.061 114.554 -0.013 0.000 2.893 167 T HA 0.399 4.749 4.350 -0.000 0.000 0.291 167 T C -0.788 173.861 174.700 -0.085 0.000 1.028 167 T CA -0.401 61.697 62.100 -0.004 0.000 0.995 167 T CB 1.593 70.485 68.868 0.040 0.000 1.051 167 T HN 1.070 nan 8.240 nan 0.000 0.470 168 E N 3.301 123.440 120.200 -0.102 0.000 2.152 168 E HA 0.447 4.797 4.350 -0.000 0.000 0.285 168 E C -0.797 175.788 176.600 -0.025 0.000 1.043 168 E CA -0.550 55.780 56.400 -0.117 0.000 0.839 168 E CB 0.685 30.329 29.700 -0.093 0.000 1.069 168 E HN 0.407 nan 8.360 nan 0.000 0.399 169 V N 3.986 123.884 119.914 -0.026 0.000 2.481 169 V HA 0.290 4.410 4.120 -0.000 0.000 0.286 169 V C 0.043 176.138 176.094 0.001 0.000 1.042 169 V CA -0.503 61.795 62.300 -0.004 0.000 0.928 169 V CB 1.376 33.196 31.823 -0.005 0.000 0.986 169 V HN 0.730 nan 8.190 nan 0.000 0.462 170 S N 3.756 119.463 115.700 0.010 0.000 2.557 170 S HA 0.758 5.228 4.470 -0.000 0.000 0.291 170 S C -1.093 173.514 174.600 0.012 0.000 1.116 170 S CA -0.684 57.523 58.200 0.012 0.000 0.992 170 S CB 1.762 64.973 63.200 0.018 0.000 1.028 170 S HN 0.403 nan 8.310 nan 0.000 0.484 171 V N 3.364 123.284 119.914 0.010 0.000 2.357 171 V HA 0.544 4.664 4.120 -0.000 0.000 0.284 171 V C -0.194 175.906 176.094 0.009 0.000 1.018 171 V CA -0.396 61.910 62.300 0.009 0.000 0.841 171 V CB 1.354 33.182 31.823 0.008 0.000 0.991 171 V HN 1.028 nan 8.190 nan 0.000 0.437 172 T N 7.750 122.309 114.554 0.009 0.000 2.786 172 T HA 0.457 4.807 4.350 -0.000 0.000 0.283 172 T C -2.612 172.092 174.700 0.007 0.000 0.992 172 T CA -1.173 60.932 62.100 0.008 0.000 0.954 172 T CB 1.927 70.801 68.868 0.009 0.000 0.934 172 T HN 0.471 nan 8.240 nan 0.000 0.440 173 P HA 0.448 nan 4.420 nan 0.000 0.277 173 P C -0.136 177.167 177.300 0.005 0.000 1.240 173 P CA -0.395 62.708 63.100 0.006 0.000 0.798 173 P CB 1.074 32.777 31.700 0.005 0.000 0.979 174 A N 2.705 125.528 122.820 0.005 0.000 3.893 174 A HA 0.683 5.003 4.320 -0.000 0.000 0.178 174 A C 0.562 178.149 177.584 0.004 0.000 1.767 174 A CA 0.436 52.475 52.037 0.004 0.000 1.675 174 A CB -0.825 18.177 19.000 0.004 0.000 1.358 174 A HN 0.646 nan 8.150 nan 0.000 0.477 175 A N -1.139 121.683 122.820 0.003 0.000 2.346 175 A HA 0.583 4.902 4.320 -0.000 0.000 0.313 175 A C -0.122 177.464 177.584 0.003 0.000 1.140 175 A CA -0.349 51.690 52.037 0.003 0.000 0.826 175 A CB 0.286 19.288 19.000 0.003 0.000 1.332 175 A HN 0.692 nan 8.150 nan 0.000 0.457 176 E N -0.318 119.884 120.200 0.003 0.000 2.708 176 E HA 0.223 4.573 4.350 -0.000 0.000 0.260 176 E C 1.249 177.851 176.600 0.002 0.000 0.937 176 E CA 1.464 57.866 56.400 0.003 0.000 0.953 176 E CB -0.068 29.634 29.700 0.002 0.000 0.915 176 E HN 1.696 nan 8.360 nan 0.000 0.487 177 G N 3.536 112.337 108.800 0.002 0.000 2.225 177 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 177 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 177 G C -0.097 174.804 174.900 0.002 0.000 0.988 177 G CA 0.477 45.579 45.100 0.002 0.000 0.625 177 G HN 0.607 nan 8.290 nan 0.000 0.527 178 E N 2.068 122.269 120.200 0.002 0.000 2.283 178 E HA 0.475 4.825 4.350 -0.000 0.000 0.271 178 E C -2.206 174.395 176.600 0.003 0.000 1.031 178 E CA -1.991 54.410 56.400 0.002 0.000 0.868 178 E CB 1.419 31.121 29.700 0.003 0.000 1.094 178 E HN 0.204 nan 8.360 nan 0.000 0.401 179 P HA -0.023 nan 4.420 nan 0.000 0.270 179 P C -0.966 176.336 177.300 0.003 0.000 1.223 179 P CA -0.016 63.086 63.100 0.002 0.000 0.785 179 P CB 0.614 32.315 31.700 0.002 0.000 0.923 180 A N 1.134 123.956 122.820 0.004 0.000 2.252 180 A HA 0.386 4.706 4.320 -0.000 0.000 0.305 180 A C -0.198 177.389 177.584 0.005 0.000 1.097 180 A CA -0.269 51.770 52.037 0.004 0.000 0.849 180 A CB -0.054 18.949 19.000 0.005 0.000 1.142 180 A HN 0.552 nan 8.150 nan 0.000 0.499 181 D N -0.428 119.975 120.400 0.006 0.000 2.217 181 D HA 0.488 5.128 4.640 -0.000 0.000 0.243 181 D C -1.132 175.173 176.300 0.008 0.000 1.054 181 D CA -0.095 53.910 54.000 0.007 0.000 0.838 181 D CB 1.330 42.135 40.800 0.008 0.000 1.162 181 D HN 0.202 nan 8.370 nan 0.000 0.472 182 V N 3.597 123.516 119.914 0.008 0.000 2.444 182 V HA 0.384 4.503 4.120 -0.000 0.000 0.294 182 V C -0.558 175.543 176.094 0.012 0.000 1.022 182 V CA -0.892 61.413 62.300 0.009 0.000 0.850 182 V CB 1.647 33.474 31.823 0.006 0.000 0.992 182 V HN 0.563 nan 8.190 nan 0.000 0.426 183 D N 3.576 123.986 120.400 0.016 0.000 2.163 183 D HA 0.490 5.130 4.640 -0.000 0.000 0.248 183 D C 0.377 176.692 176.300 0.024 0.000 1.035 183 D CA -0.522 53.492 54.000 0.022 0.000 0.872 183 D CB 2.022 42.838 40.800 0.026 0.000 1.183 183 D HN 0.211 nan 8.370 nan 0.000 0.445 184 L N 1.622 122.864 121.223 0.031 0.000 2.607 184 L HA 0.309 4.649 4.340 -0.000 0.000 0.228 184 L C 1.505 178.404 176.870 0.048 0.000 1.123 184 L CA 0.690 55.550 54.840 0.033 0.000 0.890 184 L CB -1.178 40.901 42.059 0.033 0.000 1.103 184 L HN 0.777 nan 8.230 nan 0.000 0.468 185 G N 0.175 109.010 108.800 0.058 0.000 2.514 185 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 185 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 185 G C 1.131 176.089 174.900 0.096 0.000 1.150 185 G CA 0.545 45.691 45.100 0.077 0.000 0.959 185 G HN 0.402 nan 8.290 nan 0.000 0.556 186 A N -0.247 122.640 122.820 0.112 0.000 1.940 186 A HA 0.315 4.635 4.320 -0.000 0.000 0.219 186 A C 2.848 180.523 177.584 0.151 0.000 1.176 186 A CA 3.441 55.554 52.037 0.127 0.000 0.631 186 A CB -0.907 18.168 19.000 0.125 0.000 0.814 186 A HN 2.334 nan 8.150 nan 0.000 0.446 187 A N -0.607 122.289 122.820 0.127 0.000 2.235 187 A HA 0.173 4.493 4.320 -0.000 0.000 0.208 187 A C 0.817 178.471 177.584 0.116 0.000 1.172 187 A CA 0.542 52.668 52.037 0.148 0.000 0.786 187 A CB -0.394 18.698 19.000 0.155 0.000 0.804 187 A HN 0.511 nan 8.150 nan 0.000 0.479 188 E N -0.309 119.964 120.200 0.120 0.000 2.406 188 E HA 0.357 4.707 4.350 -0.000 0.000 0.258 188 E C 1.243 177.934 176.600 0.152 0.000 1.043 188 E CA 1.154 57.616 56.400 0.105 0.000 0.929 188 E CB -0.242 29.514 29.700 0.093 0.000 0.969 188 E HN 0.618 nan 8.360 nan 0.000 0.462 189 G N 3.348 112.189 108.800 0.070 0.000 2.232 189 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.226 189 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.226 189 G C 0.533 175.363 174.900 -0.117 0.000 0.996 189 G CA 0.326 45.470 45.100 0.072 0.000 0.626 189 G HN 0.606 nan 8.290 nan 0.000 0.509 190 Y N 1.319 121.358 120.300 -0.436 0.000 2.351 190 Y HA 0.718 5.268 4.550 -0.000 0.000 0.291 190 Y C 1.799 177.581 175.900 -0.197 0.000 1.153 190 Y CA 1.540 59.363 58.100 -0.461 0.000 1.193 190 Y CB -0.168 37.908 38.460 -0.640 0.000 1.187 190 Y HN 0.631 nan 8.280 nan 0.000 0.524 191 A N 1.425 124.115 122.820 -0.216 0.000 2.304 191 A HA 0.345 4.665 4.320 -0.000 0.000 0.271 191 A C -0.355 177.139 177.584 -0.151 0.000 1.091 191 A CA -0.507 51.393 52.037 -0.229 0.000 0.812 191 A CB 0.115 19.079 19.000 -0.060 0.000 1.056 191 A HN 0.526 nan 8.150 nan 0.000 0.489 192 E N -0.398 119.719 120.200 -0.139 0.000 2.248 192 E HA 0.440 4.790 4.350 -0.000 0.000 0.272 192 E C -1.392 175.174 176.600 -0.057 0.000 1.008 192 E CA -0.692 55.654 56.400 -0.090 0.000 0.856 192 E CB 1.733 31.379 29.700 -0.089 0.000 1.120 192 E HN 0.417 nan 8.360 nan 0.000 0.397 193 L N 2.101 123.300 121.223 -0.039 0.000 2.325 193 L HA 0.325 4.665 4.340 -0.000 0.000 0.281 193 L C -1.210 175.646 176.870 -0.022 0.000 1.004 193 L CA -0.291 54.534 54.840 -0.026 0.000 0.823 193 L CB 1.485 43.535 42.059 -0.015 0.000 1.236 193 L HN 0.363 nan 8.230 nan 0.000 0.415 194 D N 3.012 123.400 120.400 -0.021 0.000 2.460 194 D HA 0.227 4.867 4.640 -0.000 0.000 0.268 194 D C -0.864 175.429 176.300 -0.011 0.000 1.153 194 D CA -0.174 53.816 54.000 -0.017 0.000 0.929 194 D CB 0.336 41.125 40.800 -0.019 0.000 1.015 194 D HN 0.467 nan 8.370 nan 0.000 0.502 195 N N 2.093 120.788 118.700 -0.008 0.000 2.462 195 N HA 0.183 4.923 4.740 -0.000 0.000 0.242 195 N C 0.062 175.571 175.510 -0.003 0.000 1.010 195 N CA -0.279 52.768 53.050 -0.004 0.000 0.939 195 N CB 0.561 39.047 38.487 -0.002 0.000 1.127 195 N HN 0.192 nan 8.380 nan 0.000 0.509 196 R N 1.829 122.327 120.500 -0.002 0.000 2.509 196 R HA 0.299 4.639 4.340 -0.000 0.000 0.300 196 R C -0.093 176.207 176.300 0.001 0.000 0.985 196 R CA -0.375 55.725 56.100 -0.001 0.000 1.092 196 R CB 0.153 30.453 30.300 -0.002 0.000 1.237 196 R HN 0.461 nan 8.270 nan 0.000 0.546 197 A N 1.629 124.450 122.820 0.002 0.000 2.388 197 A HA 0.433 4.753 4.320 -0.000 0.000 0.257 197 A C 0.710 178.296 177.584 0.003 0.000 1.095 197 A CA -0.396 51.643 52.037 0.003 0.000 0.791 197 A CB 0.529 19.532 19.000 0.004 0.000 1.029 197 A HN 0.088 nan 8.150 nan 0.000 0.489 198 V N -0.090 119.826 119.914 0.004 0.000 3.177 198 V HA 0.847 4.967 4.120 -0.000 0.000 0.319 198 V C 0.081 176.177 176.094 0.004 0.000 1.125 198 V CA -0.661 61.641 62.300 0.003 0.000 1.029 198 V CB 1.440 33.265 31.823 0.003 0.000 1.119 198 V HN 0.769 nan 8.190 nan 0.000 0.452 199 T N 1.408 115.964 114.554 0.004 0.000 2.829 199 T HA 0.719 5.069 4.350 -0.000 0.000 0.282 199 T C 0.314 175.016 174.700 0.003 0.000 0.990 199 T CA 0.301 62.404 62.100 0.004 0.000 1.028 199 T CB 1.204 70.074 68.868 0.004 0.000 0.951 199 T HN 1.277 nan 8.240 nan 0.000 0.460 200 G N 0.817 109.620 108.800 0.004 0.000 2.613 200 G HA2 0.669 4.629 3.960 -0.000 0.000 0.303 200 G HA3 0.669 4.629 3.960 -0.000 0.000 0.303 200 G C -0.260 174.642 174.900 0.003 0.000 1.312 200 G CA -0.898 44.204 45.100 0.003 0.000 1.036 200 G HN 0.963 nan 8.290 nan 0.000 0.513 201 A N -0.690 122.131 122.820 0.003 0.000 2.425 201 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 201 A C 1.090 178.675 177.584 0.003 0.000 1.077 201 A CA 0.396 52.435 52.037 0.003 0.000 0.781 201 A CB -0.200 18.801 19.000 0.002 0.000 1.020 201 A HN 1.999 nan 8.150 nan 0.000 0.494 202 A N 0.400 123.221 122.820 0.003 0.000 2.587 202 A HA 0.433 4.753 4.320 -0.000 0.000 0.233 202 A C 1.758 179.343 177.584 0.003 0.000 1.049 202 A CA 1.010 53.048 52.037 0.003 0.000 0.754 202 A CB -0.896 18.105 19.000 0.003 0.000 0.977 202 A HN 2.791 nan 8.150 nan 0.000 0.509 203 G N 1.261 110.062 108.800 0.003 0.000 2.189 203 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.267 203 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.267 203 G C 0.751 175.653 174.900 0.002 0.000 0.975 203 G CA 1.321 46.423 45.100 0.002 0.000 0.644 203 G HN 2.200 nan 8.290 nan 0.000 0.537 204 S N 0.100 115.802 115.700 0.003 0.000 2.598 204 S HA 0.629 5.099 4.470 -0.000 0.000 0.256 204 S C 0.849 175.451 174.600 0.003 0.000 1.350 204 S CA 0.329 58.531 58.200 0.003 0.000 0.984 204 S CB 1.284 64.486 63.200 0.003 0.000 0.930 204 S HN 1.918 nan 8.310 nan 0.000 0.577 205 A N 1.324 124.146 122.820 0.003 0.000 2.450 205 A HA 0.317 4.636 4.320 -0.000 0.000 0.255 205 A C 0.468 178.055 177.584 0.004 0.000 1.096 205 A CA -0.515 51.524 52.037 0.004 0.000 0.778 205 A CB -0.436 18.566 19.000 0.004 0.000 1.031 205 A HN 0.768 nan 8.150 nan 0.000 0.494 206 N N 1.942 120.645 118.700 0.004 0.000 2.401 206 N HA 0.141 4.881 4.740 -0.000 0.000 0.255 206 N C 0.477 175.991 175.510 0.007 0.000 1.110 206 N CA 0.620 53.673 53.050 0.005 0.000 0.949 206 N CB 0.695 39.185 38.487 0.005 0.000 1.110 206 N HN 0.631 nan 8.380 nan 0.000 0.490 207 T N 1.161 115.720 114.554 0.007 0.000 3.266 207 T HA 0.190 4.540 4.350 -0.000 0.000 0.278 207 T C 0.486 175.193 174.700 0.011 0.000 1.010 207 T CA -0.564 61.541 62.100 0.009 0.000 0.909 207 T CB -0.232 68.641 68.868 0.008 0.000 1.122 207 T HN 0.214 nan 8.240 nan 0.000 0.536 208 L N 2.720 123.950 121.223 0.011 0.000 2.410 208 L HA 0.476 4.816 4.340 -0.000 0.000 0.273 208 L C -0.565 176.316 176.870 0.019 0.000 1.152 208 L CA 0.090 54.938 54.840 0.013 0.000 0.855 208 L CB 0.684 42.750 42.059 0.012 0.000 1.129 208 L HN 0.196 nan 8.230 nan 0.000 0.463 209 V N 6.606 126.532 119.914 0.021 0.000 2.531 209 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 209 V C -0.105 176.006 176.094 0.028 0.000 1.034 209 V CA -0.597 61.722 62.300 0.031 0.000 0.865 209 V CB 1.677 33.520 31.823 0.033 0.000 0.995 209 V HN 0.536 nan 8.190 nan 0.000 0.424 210 I N 3.634 124.227 120.570 0.039 0.000 2.362 210 I HA 0.601 4.771 4.170 -0.000 0.000 0.289 210 I C -0.710 175.423 176.117 0.026 0.000 0.994 210 I CA -0.179 61.138 61.300 0.028 0.000 1.158 210 I CB 1.706 39.721 38.000 0.025 0.000 1.315 210 I HN 0.528 nan 8.210 nan 0.000 0.451 211 D N 4.806 125.201 120.400 -0.007 0.000 2.477 211 D HA 0.440 5.080 4.640 -0.000 0.000 0.234 211 D C -0.998 175.260 176.300 -0.070 0.000 1.048 211 D CA -0.785 53.190 54.000 -0.042 0.000 0.959 211 D CB 2.462 43.248 40.800 -0.023 0.000 1.408 211 D HN 0.458 nan 8.370 nan 0.000 0.496 212 R N 2.157 122.590 120.500 -0.111 0.000 2.407 212 R HA 0.451 4.791 4.340 -0.000 0.000 0.298 212 R C -2.563 173.688 176.300 -0.081 0.000 1.166 212 R CA -1.632 54.413 56.100 -0.092 0.000 1.006 212 R CB 1.261 31.501 30.300 -0.100 0.000 1.145 212 R HN 0.192 nan 8.270 nan 0.000 0.538 213 P HA -0.118 nan 4.420 nan 0.000 0.264 213 P C -0.062 177.217 177.300 -0.036 0.000 1.183 213 P CA -0.185 62.890 63.100 -0.040 0.000 0.763 213 P CB 0.666 32.348 31.700 -0.030 0.000 0.807 214 V N 2.105 122.003 119.914 -0.027 0.000 2.644 214 V HA 0.222 4.341 4.120 -0.000 0.000 0.305 214 V C 1.348 177.437 176.094 -0.009 0.000 1.053 214 V CA 0.821 63.112 62.300 -0.014 0.000 1.186 214 V CB -0.751 31.073 31.823 0.001 0.000 0.895 214 V HN 0.994 nan 8.190 nan 0.000 0.490 215 G N 2.932 111.731 108.800 -0.001 0.000 2.155 215 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 215 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 215 G C 0.418 175.312 174.900 -0.010 0.000 0.983 215 G CA 1.092 46.193 45.100 0.002 0.000 0.676 215 G HN 2.172 nan 8.290 nan 0.000 0.528 216 T N -3.278 111.263 114.554 -0.021 0.000 2.919 216 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 216 T C 0.151 174.823 174.700 -0.048 0.000 1.020 216 T CA -0.146 61.932 62.100 -0.036 0.000 0.994 216 T CB 2.040 70.884 68.868 -0.040 0.000 1.180 216 T HN 0.129 nan 8.240 nan 0.000 0.566 217 N N 0.269 118.924 118.700 -0.076 0.000 2.598 217 N HA 0.320 5.060 4.740 -0.000 0.000 0.309 217 N C -1.228 174.214 175.510 -0.113 0.000 1.645 217 N CA -0.347 52.639 53.050 -0.107 0.000 0.936 217 N CB 0.258 38.632 38.487 -0.189 0.000 1.323 217 N HN 0.709 nan 8.380 nan 0.000 0.497 218 T N 0.541 115.048 114.554 -0.077 0.000 2.829 218 T HA 0.435 4.785 4.350 -0.000 0.000 0.280 218 T C -0.044 174.624 174.700 -0.053 0.000 0.999 218 T CA -0.538 61.522 62.100 -0.066 0.000 0.983 218 T CB 1.581 70.417 68.868 -0.054 0.000 0.968 218 T HN -0.051 nan 8.240 nan 0.000 0.446 219 I N 2.975 123.518 120.570 -0.044 0.000 2.291 219 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 219 I C 0.448 176.549 176.117 -0.027 0.000 1.050 219 I CA -0.853 60.426 61.300 -0.034 0.000 1.245 219 I CB 0.157 38.142 38.000 -0.024 0.000 1.405 219 I HN 0.735 nan 8.210 nan 0.000 0.478 220 A N 7.474 130.278 122.820 -0.027 0.000 2.249 220 A HA 0.675 4.995 4.320 -0.000 0.000 0.314 220 A C -0.332 177.246 177.584 -0.010 0.000 1.290 220 A CA -0.452 51.574 52.037 -0.019 0.000 0.893 220 A CB 0.728 19.716 19.000 -0.019 0.000 1.165 220 A HN 0.422 nan 8.150 nan 0.000 0.530 221 V N 3.280 123.190 119.914 -0.006 0.000 2.417 221 V HA 0.655 4.775 4.120 -0.000 0.000 0.291 221 V C 0.551 176.646 176.094 0.002 0.000 1.024 221 V CA -0.103 62.197 62.300 0.000 0.000 0.861 221 V CB 1.194 33.018 31.823 0.002 0.000 0.985 221 V HN 1.077 nan 8.190 nan 0.000 0.436 222 T N 0.957 115.514 114.554 0.006 0.000 2.807 222 T HA 0.945 5.295 4.350 -0.000 0.000 0.277 222 T C 0.397 175.102 174.700 0.008 0.000 1.006 222 T CA -0.054 62.049 62.100 0.006 0.000 1.006 222 T CB 1.677 70.549 68.868 0.006 0.000 1.274 222 T HN 1.837 nan 8.240 nan 0.000 0.569 223 G N 0.379 109.183 108.800 0.007 0.000 2.584 223 G HA2 0.126 4.086 3.960 -0.000 0.000 0.229 223 G HA3 0.126 4.086 3.960 -0.000 0.000 0.229 223 G C -0.176 174.727 174.900 0.006 0.000 1.320 223 G CA -0.040 45.064 45.100 0.007 0.000 0.891 223 G HN 1.739 nan 8.290 nan 0.000 0.573 224 S N -1.110 114.594 115.700 0.007 0.000 2.614 224 S HA 0.619 5.089 4.470 -0.000 0.000 0.288 224 S C -1.025 173.579 174.600 0.006 0.000 1.137 224 S CA -0.376 57.828 58.200 0.006 0.000 0.992 224 S CB 1.343 64.546 63.200 0.005 0.000 1.026 224 S HN 1.506 nan 8.310 nan 0.000 0.486 225 L N 6.481 127.707 121.223 0.006 0.000 2.296 225 L HA 0.692 5.032 4.340 -0.000 0.000 0.286 225 L C -2.488 174.384 176.870 0.005 0.000 1.023 225 L CA -1.884 52.959 54.840 0.006 0.000 0.812 225 L CB 1.361 43.424 42.059 0.006 0.000 1.223 225 L HN 0.431 nan 8.230 nan 0.000 0.421 226 P HA 0.128 nan 4.420 nan 0.000 0.269 226 P C -0.118 177.184 177.300 0.004 0.000 1.209 226 P CA -0.034 63.068 63.100 0.004 0.000 0.776 226 P CB 0.798 32.500 31.700 0.004 0.000 0.876 227 A N 3.451 126.273 122.820 0.004 0.000 1.972 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 227 A C 1.582 179.168 177.584 0.004 0.000 1.169 227 A CA 1.948 53.987 52.037 0.004 0.000 0.635 227 A CB -1.116 17.886 19.000 0.003 0.000 0.810 227 A HN 0.651 nan 8.150 nan 0.000 0.446 228 D N 0.197 120.599 120.400 0.004 0.000 2.347 228 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 228 D C 0.812 177.115 176.300 0.004 0.000 0.985 228 D CA 0.643 54.645 54.000 0.004 0.000 0.879 228 D CB -0.557 40.245 40.800 0.003 0.000 0.919 228 D HN 0.367 nan 8.370 nan 0.000 0.526 229 A N 0.644 123.467 122.820 0.004 0.000 2.462 229 A HA 0.511 4.831 4.320 -0.000 0.000 0.243 229 A C 0.615 178.202 177.584 0.005 0.000 1.076 229 A CA -0.023 52.016 52.037 0.004 0.000 0.773 229 A CB 0.270 19.273 19.000 0.005 0.000 1.010 229 A HN 0.344 nan 8.150 nan 0.000 0.493 230 A N 3.764 126.587 122.820 0.005 0.000 2.462 230 A HA 0.534 4.854 4.320 -0.000 0.000 0.243 230 A C -1.967 175.621 177.584 0.007 0.000 1.076 230 A CA -1.013 51.028 52.037 0.006 0.000 0.773 230 A CB -0.789 18.214 19.000 0.006 0.000 1.010 230 A HN 0.704 nan 8.150 nan 0.000 0.493 231 P HA 0.161 nan 4.420 nan 0.000 0.264 231 P C -0.754 176.552 177.300 0.008 0.000 1.179 231 P CA 0.021 63.126 63.100 0.009 0.000 0.763 231 P CB 0.352 32.058 31.700 0.010 0.000 0.806 232 V N 3.294 123.213 119.914 0.008 0.000 2.370 232 V HA 0.327 4.447 4.120 -0.000 0.000 0.279 232 V C 0.461 176.559 176.094 0.008 0.000 1.029 232 V CA -0.223 62.081 62.300 0.008 0.000 0.870 232 V CB 1.064 32.892 31.823 0.008 0.000 0.984 232 V HN 0.689 nan 8.190 nan 0.000 0.451 233 T N 2.173 116.731 114.554 0.006 0.000 2.855 233 T HA 0.894 5.244 4.350 -0.000 0.000 0.281 233 T C -0.378 174.319 174.700 -0.005 0.000 1.007 233 T CA -0.664 61.438 62.100 0.003 0.000 1.009 233 T CB 2.055 70.929 68.868 0.010 0.000 0.983 233 T HN 1.056 nan 8.240 nan 0.000 0.455 234 A N 2.873 125.684 122.820 -0.015 0.000 2.488 234 A HA 0.638 4.958 4.320 -0.000 0.000 0.295 234 A C -0.768 176.788 177.584 -0.046 0.000 1.045 234 A CA -0.957 51.070 52.037 -0.017 0.000 0.703 234 A CB 1.121 20.127 19.000 0.009 0.000 1.271 234 A HN 0.914 nan 8.150 nan 0.000 0.400 235 L N 3.057 124.243 121.223 -0.062 0.000 2.319 235 L HA 0.470 4.810 4.340 -0.000 0.000 0.280 235 L C 0.195 177.040 176.870 -0.041 0.000 1.099 235 L CA -0.295 54.485 54.840 -0.099 0.000 0.828 235 L CB 0.439 42.428 42.059 -0.116 0.000 1.150 235 L HN 0.614 nan 8.230 nan 0.000 0.442 236 R N 1.358 121.825 120.500 -0.054 0.000 2.686 236 R HA 0.387 4.727 4.340 -0.000 0.000 0.283 236 R C -0.340 175.931 176.300 -0.048 0.000 0.978 236 R CA -0.678 55.391 56.100 -0.052 0.000 0.897 236 R CB 2.224 32.496 30.300 -0.047 0.000 1.192 236 R HN 0.683 nan 8.270 nan 0.000 0.457 237 T N -1.364 113.150 114.554 -0.066 0.000 2.899 237 T HA 0.398 4.748 4.350 -0.000 0.000 0.295 237 T C 0.773 175.473 174.700 0.000 0.000 1.033 237 T CA -0.633 61.449 62.100 -0.029 0.000 1.084 237 T CB 0.887 69.728 68.868 -0.045 0.000 0.979 237 T HN 0.355 nan 8.240 nan 0.000 0.532 238 V N -0.780 119.167 119.914 0.054 0.000 3.096 238 V HA 0.648 4.768 4.120 -0.000 0.000 0.319 238 V C -0.244 175.920 176.094 0.116 0.000 1.103 238 V CA -1.266 61.097 62.300 0.105 0.000 1.016 238 V CB 1.539 33.499 31.823 0.229 0.000 1.090 238 V HN 0.933 nan 8.190 nan 0.000 0.449 239 D N 1.195 121.670 120.400 0.124 0.000 2.341 239 D HA 0.224 4.864 4.640 -0.000 0.000 0.245 239 D C -0.001 176.422 176.300 0.205 0.000 1.106 239 D CA 0.661 54.734 54.000 0.122 0.000 0.905 239 D CB 0.378 41.215 40.800 0.062 0.000 1.202 239 D HN 0.788 nan 8.370 nan 0.000 0.426 240 E N 2.066 122.360 120.200 0.157 0.000 2.560 240 E HA -0.156 4.194 4.350 -0.000 0.000 0.158 240 E C -1.896 174.768 176.600 0.107 0.000 1.709 240 E CA 0.065 56.553 56.400 0.147 0.000 0.653 240 E CB -0.886 28.920 29.700 0.177 0.000 1.090 240 E HN 0.489 nan 8.360 nan 0.000 0.355 241 P HA -0.212 nan 4.420 nan 0.000 0.217 241 P C 1.322 178.611 177.300 -0.019 0.000 1.148 241 P CA 2.176 65.294 63.100 0.031 0.000 0.828 241 P CB 0.185 31.921 31.700 0.059 0.000 0.783 242 A N -0.291 122.532 122.820 0.004 0.000 1.969 242 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 242 A C 2.298 179.865 177.584 -0.028 0.000 1.169 242 A CA 1.779 53.809 52.037 -0.011 0.000 0.635 242 A CB -1.425 17.583 19.000 0.013 0.000 0.810 242 A HN 0.204 nan 8.150 nan 0.000 0.445 243 A N -0.327 122.480 122.820 -0.020 0.000 1.898 243 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 243 A C 2.102 179.501 177.584 -0.310 0.000 1.181 243 A CA 1.636 53.656 52.037 -0.029 0.000 0.620 243 A CB -0.591 18.513 19.000 0.173 0.000 0.819 243 A HN 0.691 nan 8.150 nan 0.000 0.442 244 L N -0.101 120.745 121.223 -0.628 0.000 2.046 244 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 244 L C 2.631 179.368 176.870 -0.221 0.000 1.077 244 L CA 2.221 56.615 54.840 -0.743 0.000 0.747 244 L CB -0.825 40.876 42.059 -0.596 0.000 0.896 244 L HN 0.338 nan 8.230 nan 0.000 0.432 245 A N -0.385 122.361 122.820 -0.123 0.000 1.883 245 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 245 A C 2.365 179.958 177.584 0.016 0.000 1.186 245 A CA 1.733 53.748 52.037 -0.037 0.000 0.624 245 A CB -1.678 17.294 19.000 -0.046 0.000 0.822 245 A HN 0.546 nan 8.150 nan 0.000 0.444 246 G N -1.217 107.590 108.800 0.011 0.000 2.446 246 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 246 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 246 G C 1.460 176.428 174.900 0.115 0.000 1.168 246 G CA 1.541 46.688 45.100 0.078 0.000 0.771 246 G HN 0.778 nan 8.290 nan 0.000 0.551 247 H N 0.662 119.712 119.070 -0.034 0.000 2.289 247 H HA -0.022 4.534 4.556 -0.000 0.000 0.296 247 H C 2.551 177.882 175.328 0.003 0.000 1.091 247 H CA 1.885 57.920 56.048 -0.022 0.000 1.274 247 H CB -0.371 29.342 29.762 -0.081 0.000 1.364 247 H HN 0.271 nan 8.280 nan 0.000 0.490 248 L N -1.049 120.164 121.223 -0.018 0.000 2.079 248 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 248 L C 2.292 179.161 176.870 -0.002 0.000 1.081 248 L CA 1.270 56.084 54.840 -0.042 0.000 0.752 248 L CB -0.499 41.584 42.059 0.040 0.000 0.896 248 L HN 0.292 nan 8.230 nan 0.000 0.433 249 F N 0.984 120.881 119.950 -0.089 0.000 2.186 249 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 249 F C 2.541 178.291 175.800 -0.083 0.000 1.090 249 F CA 1.793 59.751 58.000 -0.071 0.000 1.307 249 F CB -0.136 38.835 39.000 -0.048 0.000 1.019 249 F HN 0.136 nan 8.300 nan 0.000 0.489 250 E N 0.264 120.393 120.200 -0.118 0.000 2.058 250 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 250 E C 2.032 178.488 176.600 -0.240 0.000 0.997 250 E CA 1.872 58.151 56.400 -0.201 0.000 0.801 250 E CB -0.376 29.253 29.700 -0.119 0.000 0.746 250 E HN 0.582 nan 8.360 nan 0.000 0.450 251 E N 0.086 120.144 120.200 -0.236 0.000 2.118 251 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 251 E C 2.061 178.554 176.600 -0.179 0.000 0.992 251 E CA 0.958 57.235 56.400 -0.206 0.000 0.804 251 E CB -0.173 29.392 29.700 -0.226 0.000 0.741 251 E HN 0.441 nan 8.360 nan 0.000 0.458 252 A N 1.026 123.725 122.820 -0.202 0.000 1.930 252 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 252 A C 2.165 179.596 177.584 -0.255 0.000 1.175 252 A CA 0.816 52.738 52.037 -0.192 0.000 0.627 252 A CB -0.458 18.447 19.000 -0.159 0.000 0.815 252 A HN 0.121 nan 8.150 nan 0.000 0.443 253 L N -1.104 119.886 121.223 -0.388 0.000 2.056 253 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 253 L C 2.619 179.365 176.870 -0.207 0.000 1.078 253 L CA 1.748 56.371 54.840 -0.362 0.000 0.749 253 L CB -0.393 41.387 42.059 -0.465 0.000 0.901 253 L HN 0.413 nan 8.230 nan 0.000 0.433 254 E N -0.216 119.878 120.200 -0.176 0.000 2.204 254 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 254 E C 2.051 178.594 176.600 -0.096 0.000 0.990 254 E CA 0.955 57.284 56.400 -0.119 0.000 0.821 254 E CB 0.101 29.738 29.700 -0.105 0.000 0.750 254 E HN 0.207 nan 8.360 nan 0.000 0.477 255 S N 0.002 115.640 115.700 -0.103 0.000 2.561 255 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 255 S C 0.623 175.181 174.600 -0.070 0.000 0.977 255 S CA 0.185 58.338 58.200 -0.077 0.000 0.926 255 S CB -0.003 63.154 63.200 -0.072 0.000 0.769 255 S HN 0.303 nan 8.310 nan 0.000 0.533 256 N N 0.179 118.829 118.700 -0.084 0.000 2.416 256 N HA 0.236 4.976 4.740 -0.000 0.000 0.267 256 N C 0.905 176.379 175.510 -0.060 0.000 1.294 256 N CA 0.525 53.535 53.050 -0.067 0.000 0.891 256 N CB 1.397 39.841 38.487 -0.072 0.000 1.238 256 N HN 0.416 nan 8.380 nan 0.000 0.508 257 G N 0.375 109.140 108.800 -0.058 0.000 2.420 257 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.221 257 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.221 257 G C 0.197 175.065 174.900 -0.054 0.000 1.117 257 G CA -0.078 44.994 45.100 -0.048 0.000 0.657 257 G HN 0.181 nan 8.290 nan 0.000 0.512 258 V N 3.718 123.591 119.914 -0.069 0.000 2.441 258 V HA 0.327 4.447 4.120 -0.000 0.000 0.279 258 V C 1.033 177.079 176.094 -0.080 0.000 0.990 258 V CA 1.089 63.344 62.300 -0.075 0.000 1.116 258 V CB 0.052 31.813 31.823 -0.103 0.000 0.977 258 V HN 0.480 nan 8.190 nan 0.000 0.470 259 T N 4.955 119.474 114.554 -0.058 0.000 2.897 259 T HA 0.427 4.776 4.350 -0.000 0.000 0.294 259 T C 0.036 174.703 174.700 -0.054 0.000 1.004 259 T CA -0.361 61.706 62.100 -0.054 0.000 1.106 259 T CB 1.548 70.393 68.868 -0.038 0.000 0.949 259 T HN 0.385 nan 8.240 nan 0.000 0.520 260 V N 4.607 124.486 119.914 -0.058 0.000 2.304 260 V HA 0.253 4.373 4.120 -0.000 0.000 0.278 260 V C 1.014 177.083 176.094 -0.042 0.000 1.018 260 V CA -0.700 61.568 62.300 -0.054 0.000 0.814 260 V CB 1.285 33.066 31.823 -0.070 0.000 1.021 260 V HN 0.779 nan 8.190 nan 0.000 0.440 261 K N 2.601 122.982 120.400 -0.032 0.000 2.366 261 K HA 0.138 4.457 4.320 -0.000 0.000 0.198 261 K C 1.135 177.719 176.600 -0.028 0.000 1.044 261 K CA 0.633 56.905 56.287 -0.025 0.000 0.973 261 K CB 0.512 33.002 32.500 -0.016 0.000 0.767 261 K HN 0.756 nan 8.250 nan 0.000 0.475 262 G N 0.478 109.254 108.800 -0.040 0.000 2.641 262 G HA2 0.196 4.156 3.960 -0.000 0.000 0.239 262 G HA3 0.196 4.156 3.960 -0.000 0.000 0.239 262 G C -0.654 174.205 174.900 -0.068 0.000 1.402 262 G CA -0.374 44.694 45.100 -0.053 0.000 1.046 262 G HN -0.030 nan 8.290 nan 0.000 0.565 263 D N -1.609 118.732 120.400 -0.099 0.000 2.440 263 D HA 0.581 5.221 4.640 -0.000 0.000 0.258 263 D C -0.360 175.847 176.300 -0.155 0.000 1.092 263 D CA -0.146 53.796 54.000 -0.096 0.000 1.016 263 D CB 1.936 42.691 40.800 -0.074 0.000 1.141 263 D HN 0.101 nan 8.370 nan 0.000 0.552 264 V N -0.077 119.781 119.914 -0.093 0.000 2.588 264 V HA 0.905 5.025 4.120 -0.000 0.000 0.304 264 V C 0.590 176.660 176.094 -0.040 0.000 1.042 264 V CA -0.393 61.853 62.300 -0.090 0.000 0.877 264 V CB 1.406 33.230 31.823 0.002 0.000 0.996 264 V HN 0.730 nan 8.190 nan 0.000 0.425 265 G N 3.080 111.849 108.800 -0.053 0.000 2.490 265 G HA2 0.562 4.522 3.960 -0.000 0.000 0.308 265 G HA3 0.562 4.522 3.960 -0.000 0.000 0.308 265 G C -1.997 172.986 174.900 0.140 0.000 1.286 265 G CA -0.874 44.259 45.100 0.056 0.000 0.825 265 G HN 0.555 nan 8.290 nan 0.000 0.479 266 L N 0.566 121.899 121.223 0.183 0.000 2.307 266 L HA 0.758 5.098 4.340 -0.000 0.000 0.282 266 L C 0.676 177.689 176.870 0.239 0.000 1.051 266 L CA 0.002 54.955 54.840 0.190 0.000 0.804 266 L CB 1.689 43.819 42.059 0.119 0.000 1.197 266 L HN 0.991 nan 8.230 nan 0.000 0.431 267 G N 1.020 109.928 108.800 0.180 0.000 2.733 267 G HA2 0.514 4.474 3.960 -0.000 0.000 0.297 267 G HA3 0.514 4.474 3.960 -0.000 0.000 0.297 267 G C -1.165 173.748 174.900 0.023 0.000 1.452 267 G CA -0.460 44.616 45.100 -0.041 0.000 0.940 267 G HN 0.735 nan 8.290 nan 0.000 0.547 268 G N -0.159 108.589 108.800 -0.087 0.000 2.356 268 G HA2 0.554 4.514 3.960 -0.000 0.000 0.298 268 G HA3 0.554 4.514 3.960 -0.000 0.000 0.298 268 G C 0.368 174.981 174.900 -0.478 0.000 1.145 268 G CA -0.432 44.566 45.100 -0.171 0.000 0.850 268 G HN 1.163 nan 8.290 nan 0.000 0.487 269 V N 4.513 123.925 119.914 -0.836 0.000 2.703 269 V HA -0.098 4.022 4.120 -0.000 0.000 0.300 269 V C -0.519 175.034 176.094 -0.902 0.000 1.063 269 V CA -0.198 61.327 62.300 -1.293 0.000 1.240 269 V CB 0.513 31.839 31.823 -0.829 0.000 0.845 269 V HN 0.710 nan 8.190 nan 0.000 0.476 270 P HA -0.286 nan 4.420 nan 0.000 0.219 270 P C 1.107 178.180 177.300 -0.379 0.000 1.161 270 P CA 2.562 65.240 63.100 -0.702 0.000 0.909 270 P CB 0.077 31.233 31.700 -0.906 0.000 0.793 271 A N -2.453 120.181 122.820 -0.310 0.000 3.523 271 A HA -0.146 4.173 4.320 -0.000 0.000 0.210 271 A C 1.250 178.834 177.584 0.001 0.000 0.811 271 A CA 0.898 52.867 52.037 -0.115 0.000 2.055 271 A CB -2.334 16.606 19.000 -0.100 0.000 0.675 271 A HN 0.430 nan 8.150 nan 0.000 0.649 272 D N -1.175 119.260 120.400 0.058 0.000 2.340 272 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 272 D C -0.079 176.405 176.300 0.305 0.000 1.039 272 D CA 0.042 54.134 54.000 0.153 0.000 0.866 272 D CB -0.305 40.584 40.800 0.149 0.000 0.913 272 D HN 0.594 nan 8.370 nan 0.000 0.523 273 W N 2.826 124.100 121.300 -0.043 0.000 2.430 273 W HA 0.246 4.906 4.660 -0.000 0.000 0.380 273 W C 1.551 178.050 176.519 -0.033 0.000 1.045 273 W CA -1.092 56.229 57.345 -0.040 0.000 1.547 273 W CB 0.151 29.572 29.460 -0.066 0.000 1.554 273 W HN 0.005 nan 8.180 nan 0.000 0.378 274 Q N 1.285 121.163 119.800 0.130 0.000 2.096 274 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 274 Q C -0.033 175.997 176.000 0.050 0.000 0.982 274 Q CA 1.567 57.411 55.803 0.068 0.000 0.850 274 Q CB 0.279 29.037 28.738 0.033 0.000 0.901 274 Q HN 0.475 nan 8.270 nan 0.000 0.422 275 D N -1.671 118.750 120.400 0.035 0.000 2.470 275 D HA 0.395 5.035 4.640 -0.000 0.000 0.233 275 D C -1.271 175.041 176.300 0.019 0.000 1.372 275 D CA -0.304 53.713 54.000 0.029 0.000 0.994 275 D CB 0.559 41.364 40.800 0.009 0.000 1.377 275 D HN 0.028 nan 8.370 nan 0.000 0.586 276 A N 1.797 124.658 122.820 0.069 0.000 2.340 276 A HA 0.456 4.776 4.320 -0.000 0.000 0.268 276 A C 0.190 177.800 177.584 0.044 0.000 1.100 276 A CA -0.531 51.553 52.037 0.079 0.000 0.803 276 A CB 0.780 19.940 19.000 0.267 0.000 1.043 276 A HN 0.481 nan 8.150 nan 0.000 0.488 277 E N 1.394 121.605 120.200 0.017 0.000 2.129 277 E HA 0.372 4.722 4.350 -0.000 0.000 0.283 277 E C -0.815 175.820 176.600 0.057 0.000 1.080 277 E CA 0.004 56.417 56.400 0.021 0.000 0.867 277 E CB 0.516 30.215 29.700 -0.002 0.000 1.056 277 E HN 0.321 nan 8.360 nan 0.000 0.404 278 V N 7.507 127.449 119.914 0.046 0.000 2.405 278 V HA 0.036 4.156 4.120 -0.000 0.000 0.264 278 V C 1.186 177.307 176.094 0.045 0.000 1.048 278 V CA 0.124 62.453 62.300 0.048 0.000 0.966 278 V CB 0.537 32.373 31.823 0.022 0.000 1.015 278 V HN 0.791 nan 8.190 nan 0.000 0.477 279 L N 3.928 125.190 121.223 0.065 0.000 2.477 279 L HA 0.499 4.839 4.340 -0.000 0.000 0.220 279 L C 0.914 177.822 176.870 0.064 0.000 1.106 279 L CA 0.705 55.584 54.840 0.065 0.000 0.851 279 L CB 0.130 42.241 42.059 0.086 0.000 0.994 279 L HN 0.760 nan 8.230 nan 0.000 0.462 280 A N -0.001 122.857 122.820 0.064 0.000 2.594 280 A HA 0.579 4.899 4.320 -0.000 0.000 0.296 280 A C -1.897 175.712 177.584 0.041 0.000 1.061 280 A CA -0.614 51.461 52.037 0.063 0.000 0.689 280 A CB 1.472 20.534 19.000 0.103 0.000 1.280 280 A HN 0.081 nan 8.150 nan 0.000 0.406 281 D N -0.255 120.169 120.400 0.040 0.000 2.579 281 D HA 0.709 5.349 4.640 -0.000 0.000 0.257 281 D C -0.857 175.496 176.300 0.089 0.000 1.176 281 D CA -0.277 53.742 54.000 0.031 0.000 0.914 281 D CB 1.215 42.009 40.800 -0.010 0.000 1.431 281 D HN 0.754 nan 8.370 nan 0.000 0.454 282 H N -1.693 117.347 119.070 -0.050 0.000 2.974 282 H HA 0.634 5.190 4.556 -0.000 0.000 0.366 282 H C -1.520 173.771 175.328 -0.062 0.000 1.155 282 H CA -0.336 55.685 56.048 -0.045 0.000 1.186 282 H CB 2.180 31.921 29.762 -0.037 0.000 1.799 282 H HN 0.332 nan 8.280 nan 0.000 0.541 283 T N 3.326 117.453 114.554 -0.712 0.000 2.792 283 T HA 0.357 4.706 4.350 -0.000 0.000 0.280 283 T C -0.069 174.204 174.700 -0.713 0.000 0.990 283 T CA -0.507 61.273 62.100 -0.533 0.000 0.960 283 T CB 0.938 69.612 68.868 -0.323 0.000 0.939 283 T HN 0.758 nan 8.240 nan 0.000 0.439 284 S N 2.756 118.252 115.700 -0.339 0.000 2.612 284 S HA 0.572 5.042 4.470 -0.000 0.000 0.253 284 S C 0.863 175.384 174.600 -0.131 0.000 1.346 284 S CA -0.606 57.514 58.200 -0.133 0.000 0.976 284 S CB 0.187 63.436 63.200 0.082 0.000 0.949 284 S HN 0.957 nan 8.310 nan 0.000 0.584 285 A N 0.371 123.161 122.820 -0.051 0.000 2.346 285 A HA 0.365 4.685 4.320 -0.000 0.000 0.255 285 A C 0.540 178.104 177.584 -0.034 0.000 1.113 285 A CA -0.448 51.570 52.037 -0.031 0.000 0.798 285 A CB -0.380 18.628 19.000 0.015 0.000 1.073 285 A HN 0.897 nan 8.150 nan 0.000 0.502 286 E N -1.145 119.038 120.200 -0.029 0.000 2.342 286 E HA 0.214 4.564 4.350 -0.000 0.000 0.257 286 E C 0.541 177.160 176.600 0.032 0.000 1.150 286 E CA -0.630 55.744 56.400 -0.042 0.000 0.926 286 E CB 0.530 30.208 29.700 -0.037 0.000 1.074 286 E HN 0.521 nan 8.360 nan 0.000 0.449 287 L N 1.504 122.751 121.223 0.039 0.000 2.465 287 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 287 L C 1.722 178.671 176.870 0.132 0.000 1.145 287 L CA 1.414 56.324 54.840 0.117 0.000 0.834 287 L CB -0.315 41.812 42.059 0.114 0.000 0.944 287 L HN 0.512 nan 8.230 nan 0.000 0.451 288 S N -2.229 113.538 115.700 0.112 0.000 2.446 288 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 288 S C 1.829 176.515 174.600 0.143 0.000 1.016 288 S CA 0.594 58.873 58.200 0.131 0.000 0.943 288 S CB -0.169 63.102 63.200 0.119 0.000 0.786 288 S HN 0.462 nan 8.310 nan 0.000 0.508 289 E N 1.796 122.074 120.200 0.130 0.000 2.051 289 E HA 0.136 4.486 4.350 -0.000 0.000 0.189 289 E C 1.736 178.454 176.600 0.197 0.000 0.979 289 E CA 1.015 57.503 56.400 0.146 0.000 0.803 289 E CB -0.409 29.358 29.700 0.111 0.000 0.761 289 E HN 0.610 nan 8.360 nan 0.000 0.451 290 I N 0.604 121.281 120.570 0.178 0.000 2.614 290 I HA -0.187 3.983 4.170 -0.000 0.000 0.258 290 I C 1.996 178.294 176.117 0.301 0.000 1.189 290 I CA 0.512 61.926 61.300 0.189 0.000 1.462 290 I CB -0.096 37.971 38.000 0.110 0.000 1.092 290 I HN 0.185 nan 8.210 nan 0.000 0.442 291 L N 0.120 121.521 121.223 0.298 0.000 2.376 291 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 291 L C 2.311 179.357 176.870 0.293 0.000 1.133 291 L CA 0.779 55.846 54.840 0.378 0.000 0.816 291 L CB -0.091 42.132 42.059 0.272 0.000 0.933 291 L HN 0.146 nan 8.230 nan 0.000 0.449 292 V N 0.873 120.951 119.914 0.272 0.000 2.249 292 V HA -0.105 4.015 4.120 -0.000 0.000 0.239 292 V C -0.324 175.916 176.094 0.243 0.000 1.038 292 V CA 1.504 63.934 62.300 0.216 0.000 1.005 292 V CB -1.823 30.149 31.823 0.248 0.000 0.646 292 V HN 0.309 nan 8.190 nan 0.000 0.455 293 P HA -0.220 nan 4.420 nan 0.000 0.221 293 P C 1.673 179.282 177.300 0.515 0.000 1.145 293 P CA 1.754 65.200 63.100 0.575 0.000 0.795 293 P CB -0.157 32.038 31.700 0.825 0.000 0.775 294 F N 0.243 120.404 119.950 0.352 0.000 2.074 294 F HA -0.077 4.450 4.527 -0.000 0.000 0.293 294 F C 2.152 178.027 175.800 0.126 0.000 1.116 294 F CA 1.188 59.384 58.000 0.327 0.000 1.212 294 F CB -0.338 38.901 39.000 0.399 0.000 0.998 294 F HN -0.325 nan 8.300 nan 0.000 0.471 295 M N 0.437 119.780 119.600 -0.428 0.000 2.388 295 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 295 M C 1.850 177.921 176.300 -0.383 0.000 1.088 295 M CA 0.867 55.816 55.300 -0.584 0.000 1.134 295 M CB -0.759 31.531 32.600 -0.516 0.000 1.384 295 M HN 0.132 nan 8.290 nan 0.000 0.447 296 K N 0.380 120.557 120.400 -0.371 0.000 2.002 296 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 296 K C 1.516 177.719 176.600 -0.662 0.000 1.048 296 K CA 1.472 57.384 56.287 -0.625 0.000 0.930 296 K CB -0.347 31.530 32.500 -1.039 0.000 0.714 296 K HN 0.289 nan 8.250 nan 0.000 0.438 297 F N 0.536 120.397 119.950 -0.148 0.000 2.695 297 F HA 0.209 4.736 4.527 -0.000 0.000 0.303 297 F C 0.756 176.497 175.800 -0.099 0.000 1.091 297 F CA -0.370 57.550 58.000 -0.134 0.000 1.300 297 F CB -0.015 38.898 39.000 -0.144 0.000 1.071 297 F HN -0.164 nan 8.300 nan 0.000 0.578 298 S N 1.220 116.908 115.700 -0.020 0.000 3.711 298 S HA -0.314 4.156 4.470 -0.000 0.000 0.374 298 S C 0.228 174.864 174.600 0.061 0.000 0.969 298 S CA 0.170 58.343 58.200 -0.046 0.000 1.198 298 S CB -2.012 61.148 63.200 -0.066 0.000 0.903 298 S HN 0.630 nan 8.310 nan 0.000 0.493 299 N N 1.244 120.038 118.700 0.158 0.000 2.400 299 N HA 0.190 4.930 4.740 -0.000 0.000 0.267 299 N C 1.219 176.874 175.510 0.242 0.000 1.208 299 N CA -0.344 52.800 53.050 0.156 0.000 0.951 299 N CB 0.300 38.772 38.487 -0.025 0.000 1.227 299 N HN 0.360 nan 8.380 nan 0.000 0.488 300 N N 2.697 121.502 118.700 0.175 0.000 2.104 300 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 300 N C 1.806 177.471 175.510 0.258 0.000 1.024 300 N CA 1.237 54.415 53.050 0.213 0.000 0.853 300 N CB -0.514 38.053 38.487 0.133 0.000 1.008 300 N HN 0.683 nan 8.380 nan 0.000 0.424 301 G N 1.146 110.063 108.800 0.195 0.000 2.459 301 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 301 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 301 G C 1.214 176.255 174.900 0.235 0.000 1.183 301 G CA 1.066 46.300 45.100 0.224 0.000 0.776 301 G HN 0.364 nan 8.290 nan 0.000 0.552 302 H N 1.181 120.286 119.070 0.058 0.000 2.319 302 H HA -0.031 4.525 4.556 -0.000 0.000 0.297 302 H C 2.898 178.022 175.328 -0.340 0.000 1.097 302 H CA 1.126 57.048 56.048 -0.210 0.000 1.285 302 H CB -1.034 28.495 29.762 -0.388 0.000 1.368 302 H HN 0.380 nan 8.280 nan 0.000 0.495 303 A N 1.698 124.529 122.820 0.019 0.000 1.859 303 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 303 A C 2.320 179.992 177.584 0.146 0.000 1.198 303 A CA 2.106 54.237 52.037 0.157 0.000 0.629 303 A CB -0.273 18.993 19.000 0.443 0.000 0.830 303 A HN 0.380 nan 8.150 nan 0.000 0.446 304 E N -0.111 120.232 120.200 0.238 0.000 2.077 304 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 304 E C 2.115 178.693 176.600 -0.035 0.000 0.989 304 E CA 1.444 57.992 56.400 0.247 0.000 0.800 304 E CB -0.604 29.385 29.700 0.482 0.000 0.746 304 E HN 0.767 nan 8.360 nan 0.000 0.452 305 M N 0.311 119.906 119.600 -0.008 0.000 2.175 305 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 305 M C 2.440 178.681 176.300 -0.097 0.000 1.063 305 M CA 1.098 56.377 55.300 -0.034 0.000 1.119 305 M CB -0.389 32.264 32.600 0.088 0.000 1.377 305 M HN 0.027 nan 8.290 nan 0.000 0.415 306 L N -0.513 120.641 121.223 -0.116 0.000 2.131 306 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 306 L C 2.443 179.273 176.870 -0.067 0.000 1.092 306 L CA 0.656 55.442 54.840 -0.089 0.000 0.759 306 L CB -0.565 41.417 42.059 -0.128 0.000 0.903 306 L HN 0.109 nan 8.230 nan 0.000 0.435 307 V N -0.078 119.791 119.914 -0.075 0.000 2.270 307 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 307 V C 2.441 178.393 176.094 -0.237 0.000 1.043 307 V CA 1.703 63.958 62.300 -0.075 0.000 1.014 307 V CB -0.426 31.433 31.823 0.061 0.000 0.645 307 V HN 0.416 nan 8.190 nan 0.000 0.447 308 K N -0.113 119.982 120.400 -0.509 0.000 2.152 308 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 308 K C 2.386 178.682 176.600 -0.506 0.000 1.048 308 K CA 1.613 57.414 56.287 -0.810 0.000 0.933 308 K CB -0.317 31.173 32.500 -1.683 0.000 0.721 308 K HN 0.357 nan 8.250 nan 0.000 0.447 309 S N 1.457 117.050 115.700 -0.178 0.000 2.368 309 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 309 S C 1.971 176.585 174.600 0.024 0.000 1.030 309 S CA 1.004 59.292 58.200 0.146 0.000 0.999 309 S CB -0.216 63.162 63.200 0.297 0.000 0.844 309 S HN 0.216 nan 8.310 nan 0.000 0.459 310 I N 1.453 121.999 120.570 -0.039 0.000 2.264 310 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 310 I C 2.626 178.700 176.117 -0.072 0.000 1.111 310 I CA 1.163 62.435 61.300 -0.047 0.000 1.382 310 I CB -0.892 37.087 38.000 -0.034 0.000 1.060 310 I HN 0.357 nan 8.210 nan 0.000 0.418 311 G N -0.035 108.688 108.800 -0.130 0.000 2.418 311 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 311 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 311 G C 1.614 176.415 174.900 -0.164 0.000 1.158 311 G CA 0.351 45.357 45.100 -0.158 0.000 0.771 311 G HN 0.276 nan 8.290 nan 0.000 0.545 312 Q N 0.090 119.774 119.800 -0.194 0.000 1.967 312 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 312 Q C 2.491 178.426 176.000 -0.108 0.000 0.985 312 Q CA 1.686 57.341 55.803 -0.248 0.000 0.839 312 Q CB -0.578 27.905 28.738 -0.426 0.000 0.906 312 Q HN 0.489 nan 8.270 nan 0.000 0.423 313 E N 0.192 120.380 120.200 -0.019 0.000 2.095 313 E HA -0.197 4.153 4.350 -0.000 0.000 0.212 313 E C 1.806 178.403 176.600 -0.005 0.000 1.044 313 E CA 2.708 59.120 56.400 0.020 0.000 0.857 313 E CB -0.367 29.343 29.700 0.017 0.000 0.764 313 E HN 0.505 nan 8.360 nan 0.000 0.462 314 T N -3.546 110.994 114.554 -0.025 0.000 3.081 314 T HA 0.400 4.750 4.350 -0.000 0.000 0.255 314 T C 1.161 175.843 174.700 -0.031 0.000 1.113 314 T CA 0.650 62.738 62.100 -0.020 0.000 1.082 314 T CB 0.495 69.353 68.868 -0.017 0.000 0.939 314 T HN 0.209 nan 8.240 nan 0.000 0.506 315 A N -0.414 122.374 122.820 -0.053 0.000 2.733 315 A HA 0.697 5.017 4.320 -0.000 0.000 0.232 315 A C 1.613 179.149 177.584 -0.080 0.000 1.251 315 A CA 0.378 52.380 52.037 -0.058 0.000 1.015 315 A CB -0.259 18.706 19.000 -0.058 0.000 1.291 315 A HN 1.225 nan 8.150 nan 0.000 0.595 316 G N -1.054 107.681 108.800 -0.108 0.000 2.162 316 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 316 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 316 G C 0.361 175.143 174.900 -0.196 0.000 0.976 316 G CA 0.552 45.567 45.100 -0.142 0.000 0.655 316 G HN 1.990 nan 8.290 nan 0.000 0.533 317 A N -0.328 122.372 122.820 -0.199 0.000 2.356 317 A HA 0.802 5.122 4.320 -0.000 0.000 0.310 317 A C 0.523 177.950 177.584 -0.262 0.000 1.075 317 A CA 0.434 52.347 52.037 -0.206 0.000 0.746 317 A CB 1.596 20.511 19.000 -0.141 0.000 1.221 317 A HN 1.660 nan 8.150 nan 0.000 0.443 318 G N 2.078 110.705 108.800 -0.287 0.000 3.506 318 G HA2 0.452 4.412 3.960 -0.000 0.000 0.268 318 G HA3 0.452 4.412 3.960 -0.000 0.000 0.268 318 G C 0.306 174.945 174.900 -0.435 0.000 0.959 318 G CA 0.552 45.439 45.100 -0.355 0.000 1.823 318 G HN 1.111 nan 8.290 nan 0.000 0.615 319 T N -3.533 110.797 114.554 -0.375 0.000 2.926 319 T HA 0.372 4.722 4.350 -0.000 0.000 0.289 319 T C 0.613 175.126 174.700 -0.312 0.000 1.054 319 T CA -0.921 60.987 62.100 -0.321 0.000 1.015 319 T CB 1.754 70.534 68.868 -0.148 0.000 1.167 319 T HN 0.185 nan 8.240 nan 0.000 0.526 320 W N 0.586 121.775 121.300 -0.184 0.000 2.436 320 W HA 0.031 4.691 4.660 -0.000 0.000 0.284 320 W C 1.205 177.651 176.519 -0.122 0.000 1.225 320 W CA 0.947 58.194 57.345 -0.163 0.000 1.271 320 W CB -0.488 28.871 29.460 -0.168 0.000 1.114 320 W HN 0.779 nan 8.180 nan 0.000 0.559 321 D N -0.301 120.155 120.400 0.093 0.000 2.120 321 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 321 D C 2.307 178.608 176.300 0.001 0.000 0.972 321 D CA 1.724 55.746 54.000 0.037 0.000 0.837 321 D CB -0.849 39.958 40.800 0.012 0.000 0.989 321 D HN -0.062 nan 8.370 nan 0.000 0.469 322 A N 1.092 123.892 122.820 -0.034 0.000 1.851 322 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 322 A C 2.400 179.955 177.584 -0.049 0.000 1.195 322 A CA 2.490 54.494 52.037 -0.055 0.000 0.622 322 A CB -1.344 17.598 19.000 -0.096 0.000 0.831 322 A HN 0.302 nan 8.150 nan 0.000 0.444 323 G N -0.563 108.193 108.800 -0.072 0.000 2.446 323 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 323 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 323 G C 1.379 176.284 174.900 0.009 0.000 1.168 323 G CA 1.248 46.314 45.100 -0.057 0.000 0.771 323 G HN 0.330 nan 8.290 nan 0.000 0.551 324 L N 0.582 121.835 121.223 0.049 0.000 2.046 324 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 324 L C 3.162 180.048 176.870 0.027 0.000 1.077 324 L CA 0.756 55.629 54.840 0.054 0.000 0.747 324 L CB -0.992 41.103 42.059 0.061 0.000 0.896 324 L HN 0.110 nan 8.230 nan 0.000 0.432 325 V N -0.206 119.716 119.914 0.014 0.000 2.392 325 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 325 V C 2.534 178.635 176.094 0.011 0.000 1.059 325 V CA 1.851 64.155 62.300 0.007 0.000 1.051 325 V CB -1.258 30.564 31.823 -0.002 0.000 0.658 325 V HN 0.580 nan 8.190 nan 0.000 0.455 326 G N -0.381 108.423 108.800 0.007 0.000 2.404 326 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 326 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 326 G C 1.675 176.592 174.900 0.028 0.000 1.174 326 G CA 1.137 46.242 45.100 0.009 0.000 0.780 326 G HN 0.367 nan 8.290 nan 0.000 0.537 327 V N 0.985 120.923 119.914 0.041 0.000 2.250 327 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 327 V C 2.775 178.915 176.094 0.075 0.000 1.060 327 V CA 2.306 64.649 62.300 0.071 0.000 1.030 327 V CB -0.431 31.447 31.823 0.093 0.000 0.643 327 V HN 0.393 nan 8.190 nan 0.000 0.445 328 E N 0.188 120.420 120.200 0.053 0.000 2.077 328 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 328 E C 2.202 178.831 176.600 0.049 0.000 0.989 328 E CA 1.730 58.158 56.400 0.047 0.000 0.800 328 E CB -0.090 29.623 29.700 0.023 0.000 0.746 328 E HN 0.744 nan 8.360 nan 0.000 0.452 329 E N -0.019 120.204 120.200 0.039 0.000 2.072 329 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 329 E C 2.061 178.688 176.600 0.046 0.000 0.982 329 E CA 0.865 57.286 56.400 0.035 0.000 0.803 329 E CB -0.131 29.583 29.700 0.024 0.000 0.755 329 E HN 0.293 nan 8.360 nan 0.000 0.453 330 A N 1.373 124.224 122.820 0.052 0.000 1.892 330 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 330 A C 2.202 179.835 177.584 0.082 0.000 1.188 330 A CA 1.282 53.357 52.037 0.063 0.000 0.631 330 A CB -0.827 18.207 19.000 0.058 0.000 0.822 330 A HN 0.146 nan 8.150 nan 0.000 0.447 331 L N -0.570 120.712 121.223 0.098 0.000 1.989 331 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 331 L C 2.951 179.874 176.870 0.089 0.000 1.071 331 L CA 1.709 56.621 54.840 0.120 0.000 0.749 331 L CB -0.590 41.576 42.059 0.177 0.000 0.890 331 L HN 0.359 nan 8.230 nan 0.000 0.431 332 S N -0.049 115.693 115.700 0.072 0.000 2.359 332 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 332 S C 2.021 176.648 174.600 0.044 0.000 1.035 332 S CA 1.351 59.582 58.200 0.052 0.000 1.018 332 S CB -0.795 62.430 63.200 0.041 0.000 0.876 332 S HN 0.637 nan 8.310 nan 0.000 0.448 333 G N 1.347 110.175 108.800 0.045 0.000 2.469 333 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 333 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 333 G C 1.281 176.204 174.900 0.039 0.000 1.136 333 G CA 0.881 46.005 45.100 0.040 0.000 0.759 333 G HN 0.441 nan 8.290 nan 0.000 0.562 334 L N 0.766 122.021 121.223 0.053 0.000 2.465 334 L HA 0.281 4.621 4.340 -0.000 0.000 0.224 334 L C 2.021 178.898 176.870 0.012 0.000 1.145 334 L CA 1.488 56.353 54.840 0.043 0.000 0.834 334 L CB -0.187 41.920 42.059 0.080 0.000 0.944 334 L HN 0.491 nan 8.230 nan 0.000 0.451 335 G N -1.698 107.115 108.800 0.021 0.000 2.159 335 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.227 335 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.227 335 G C 0.225 175.138 174.900 0.023 0.000 0.986 335 G CA 0.089 45.197 45.100 0.013 0.000 0.651 335 G HN 0.194 nan 8.290 nan 0.000 0.523 336 V N 1.503 121.441 119.914 0.041 0.000 2.583 336 V HA 0.436 4.556 4.120 -0.000 0.000 0.287 336 V C 0.490 176.625 176.094 0.069 0.000 1.051 336 V CA -0.093 62.244 62.300 0.062 0.000 1.010 336 V CB 1.722 33.604 31.823 0.098 0.000 0.988 336 V HN 0.391 nan 8.190 nan 0.000 0.478 337 D N 3.313 123.753 120.400 0.066 0.000 2.325 337 D HA 0.109 4.749 4.640 -0.000 0.000 0.251 337 D C 1.042 177.385 176.300 0.072 0.000 1.196 337 D CA -0.048 53.986 54.000 0.057 0.000 0.866 337 D CB 1.520 42.346 40.800 0.044 0.000 1.101 337 D HN 0.700 nan 8.370 nan 0.000 0.476 338 T N 0.875 115.464 114.554 0.059 0.000 3.163 338 T HA 0.307 4.657 4.350 -0.000 0.000 0.252 338 T C 1.632 176.343 174.700 0.019 0.000 1.056 338 T CA 0.198 62.327 62.100 0.049 0.000 0.947 338 T CB 0.233 69.129 68.868 0.047 0.000 1.016 338 T HN 0.280 nan 8.240 nan 0.000 0.554 339 A N 1.592 124.424 122.820 0.021 0.000 1.972 339 A HA 0.240 4.560 4.320 -0.000 0.000 0.219 339 A C 2.452 180.037 177.584 0.002 0.000 1.169 339 A CA 1.385 53.428 52.037 0.010 0.000 0.635 339 A CB -1.246 17.762 19.000 0.013 0.000 0.810 339 A HN 0.619 nan 8.150 nan 0.000 0.446 340 G N -1.228 107.575 108.800 0.005 0.000 2.777 340 G HA2 0.290 4.250 3.960 -0.000 0.000 0.211 340 G HA3 0.290 4.250 3.960 -0.000 0.000 0.211 340 G C 0.579 175.457 174.900 -0.036 0.000 1.149 340 G CA -0.245 44.852 45.100 -0.006 0.000 0.785 340 G HN 0.388 nan 8.290 nan 0.000 0.536 341 L N 1.409 122.596 121.223 -0.059 0.000 2.397 341 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 341 L C -0.475 176.338 176.870 -0.096 0.000 1.148 341 L CA -0.384 54.380 54.840 -0.126 0.000 0.825 341 L CB 1.736 43.689 42.059 -0.176 0.000 1.117 341 L HN -0.168 nan 8.230 nan 0.000 0.456 342 V N 5.198 125.047 119.914 -0.109 0.000 2.588 342 V HA 0.406 4.526 4.120 -0.000 0.000 0.304 342 V C -0.181 175.855 176.094 -0.097 0.000 1.042 342 V CA -0.502 61.749 62.300 -0.080 0.000 0.877 342 V CB 2.027 33.816 31.823 -0.056 0.000 0.996 342 V HN 0.494 nan 8.190 nan 0.000 0.425 343 L N 4.041 125.218 121.223 -0.077 0.000 2.318 343 L HA 0.530 4.870 4.340 -0.000 0.000 0.277 343 L C 0.533 177.368 176.870 -0.058 0.000 1.008 343 L CA -0.205 54.594 54.840 -0.069 0.000 0.846 343 L CB 1.362 43.390 42.059 -0.051 0.000 1.220 343 L HN 0.622 nan 8.230 nan 0.000 0.423 344 N N 0.875 119.535 118.700 -0.066 0.000 2.332 344 N HA 0.031 4.771 4.740 -0.000 0.000 0.190 344 N C -0.670 174.730 175.510 -0.183 0.000 1.117 344 N CA 0.208 53.193 53.050 -0.109 0.000 0.883 344 N CB 0.788 39.218 38.487 -0.095 0.000 1.089 344 N HN 0.787 nan 8.380 nan 0.000 0.480 345 D N -3.539 116.810 120.400 -0.086 0.000 2.692 345 D HA 0.304 4.944 4.640 -0.000 0.000 0.303 345 D C 0.728 177.101 176.300 0.121 0.000 1.278 345 D CA -0.649 53.317 54.000 -0.057 0.000 0.852 345 D CB 0.354 41.118 40.800 -0.060 0.000 1.375 345 D HN -0.105 nan 8.370 nan 0.000 0.453 346 G N -1.117 107.830 108.800 0.245 0.000 2.603 346 G HA2 0.005 3.965 3.960 -0.000 0.000 0.214 346 G HA3 0.005 3.965 3.960 -0.000 0.000 0.214 346 G C 1.091 176.155 174.900 0.273 0.000 1.140 346 G CA 0.836 46.089 45.100 0.256 0.000 0.800 346 G HN 0.559 nan 8.290 nan 0.000 0.533 347 S N -0.818 115.055 115.700 0.290 0.000 2.458 347 S HA 0.338 4.808 4.470 -0.000 0.000 0.223 347 S C 2.023 176.711 174.600 0.147 0.000 1.019 347 S CA 1.182 59.533 58.200 0.251 0.000 0.937 347 S CB -0.003 63.354 63.200 0.262 0.000 0.788 347 S HN 1.396 nan 8.310 nan 0.000 0.511 348 G N 1.212 110.085 108.800 0.123 0.000 2.217 348 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 348 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 348 G C 0.625 175.515 174.900 -0.017 0.000 0.990 348 G CA 0.306 45.433 45.100 0.045 0.000 0.627 348 G HN 0.453 nan 8.290 nan 0.000 0.522 349 L N 1.124 122.329 121.223 -0.030 0.000 2.051 349 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 349 L C 1.989 178.777 176.870 -0.137 0.000 1.076 349 L CA 1.964 56.677 54.840 -0.212 0.000 0.758 349 L CB -0.505 41.233 42.059 -0.535 0.000 0.890 349 L HN 0.501 nan 8.230 nan 0.000 0.433 350 S N -0.246 115.531 115.700 0.128 0.000 2.533 350 S HA 0.014 4.484 4.470 -0.000 0.000 0.282 350 S C 1.163 175.767 174.600 0.007 0.000 1.304 350 S CA -0.343 57.946 58.200 0.149 0.000 1.063 350 S CB 0.618 63.920 63.200 0.171 0.000 0.881 350 S HN 0.264 nan 8.310 nan 0.000 0.493 351 R N 3.325 123.816 120.500 -0.015 0.000 2.323 351 R HA 0.050 4.390 4.340 -0.000 0.000 0.198 351 R C 1.628 177.935 176.300 0.011 0.000 0.988 351 R CA 0.641 56.728 56.100 -0.022 0.000 1.041 351 R CB -0.211 30.085 30.300 -0.006 0.000 0.926 351 R HN 0.724 nan 8.270 nan 0.000 0.476 352 G N 0.196 109.005 108.800 0.014 0.000 3.284 352 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.236 352 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.236 352 G C 0.062 174.947 174.900 -0.024 0.000 1.158 352 G CA -0.385 44.714 45.100 -0.002 0.000 0.774 352 G HN 0.110 nan 8.290 nan 0.000 0.545 353 N N 0.435 119.119 118.700 -0.027 0.000 2.524 353 N HA 0.596 5.335 4.740 -0.000 0.000 0.283 353 N C -0.861 174.620 175.510 -0.050 0.000 1.142 353 N CA 0.032 53.054 53.050 -0.046 0.000 0.984 353 N CB 2.129 40.592 38.487 -0.040 0.000 1.155 353 N HN 0.003 nan 8.380 nan 0.000 0.467 354 L N 0.719 121.898 121.223 -0.073 0.000 2.472 354 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 354 L C -0.400 176.410 176.870 -0.100 0.000 0.963 354 L CA -0.876 53.926 54.840 -0.063 0.000 0.829 354 L CB 2.214 44.246 42.059 -0.046 0.000 1.348 354 L HN 0.301 nan 8.230 nan 0.000 0.408 355 V N -1.170 118.704 119.914 -0.067 0.000 3.156 355 V HA 0.899 5.019 4.120 -0.000 0.000 0.310 355 V C -0.488 175.608 176.094 0.003 0.000 1.234 355 V CA -0.383 61.880 62.300 -0.061 0.000 1.065 355 V CB 2.186 33.986 31.823 -0.039 0.000 1.088 355 V HN 0.818 nan 8.190 nan 0.000 0.451 356 T N -1.709 112.868 114.554 0.039 0.000 2.942 356 T HA 0.805 5.155 4.350 -0.000 0.000 0.289 356 T C 0.944 175.695 174.700 0.084 0.000 1.044 356 T CA -0.063 62.069 62.100 0.053 0.000 1.023 356 T CB 1.660 70.554 68.868 0.044 0.000 1.123 356 T HN 1.721 nan 8.240 nan 0.000 0.512 357 A N 0.902 123.764 122.820 0.071 0.000 1.930 357 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 357 A C 1.906 179.533 177.584 0.071 0.000 1.175 357 A CA 1.450 53.532 52.037 0.074 0.000 0.627 357 A CB -1.056 17.988 19.000 0.073 0.000 0.815 357 A HN 0.896 nan 8.150 nan 0.000 0.443 358 D N -0.030 120.408 120.400 0.063 0.000 2.133 358 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 358 D C 2.024 178.368 176.300 0.073 0.000 0.997 358 D CA 2.023 56.057 54.000 0.057 0.000 0.840 358 D CB -0.739 40.087 40.800 0.045 0.000 0.947 358 D HN 0.444 nan 8.370 nan 0.000 0.452 359 T N 0.465 115.083 114.554 0.106 0.000 2.708 359 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 359 T C 2.299 177.123 174.700 0.206 0.000 1.037 359 T CA 0.955 63.161 62.100 0.177 0.000 1.146 359 T CB -0.466 68.536 68.868 0.223 0.000 0.865 359 T HN -0.010 nan 8.240 nan 0.000 0.435 360 V N 1.224 121.252 119.914 0.191 0.000 2.295 360 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 360 V C 2.694 178.763 176.094 -0.042 0.000 1.049 360 V CA 1.323 63.666 62.300 0.071 0.000 1.024 360 V CB -0.794 31.068 31.823 0.065 0.000 0.648 360 V HN 0.306 nan 8.190 nan 0.000 0.447 361 V N 0.123 120.030 119.914 -0.012 0.000 2.237 361 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 361 V C 2.432 178.519 176.094 -0.012 0.000 1.046 361 V CA 2.357 64.639 62.300 -0.029 0.000 1.007 361 V CB -0.747 31.079 31.823 0.005 0.000 0.638 361 V HN 0.593 nan 8.190 nan 0.000 0.445 362 D N -0.001 120.408 120.400 0.015 0.000 2.230 362 D HA -0.252 4.388 4.640 -0.000 0.000 0.189 362 D C 2.044 178.334 176.300 -0.016 0.000 1.006 362 D CA 2.298 56.308 54.000 0.016 0.000 0.853 362 D CB -0.375 40.453 40.800 0.046 0.000 0.959 362 D HN 0.300 nan 8.370 nan 0.000 0.449 363 L N 0.486 121.677 121.223 -0.054 0.000 1.990 363 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 363 L C 2.513 179.321 176.870 -0.104 0.000 1.072 363 L CA 1.595 56.349 54.840 -0.143 0.000 0.755 363 L CB -0.776 41.041 42.059 -0.402 0.000 0.889 363 L HN 0.188 nan 8.230 nan 0.000 0.432 364 L N -0.528 120.672 121.223 -0.037 0.000 2.081 364 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 364 L C 2.469 179.451 176.870 0.186 0.000 1.080 364 L CA 1.378 56.277 54.840 0.099 0.000 0.754 364 L CB -1.266 40.705 42.059 -0.147 0.000 0.893 364 L HN 0.527 nan 8.230 nan 0.000 0.433 365 G N -1.539 107.306 108.800 0.074 0.000 2.408 365 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.215 365 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.215 365 G C 1.474 176.356 174.900 -0.030 0.000 1.156 365 G CA -0.014 45.124 45.100 0.063 0.000 0.793 365 G HN 0.273 nan 8.290 nan 0.000 0.535 366 Q N 0.423 120.176 119.800 -0.079 0.000 2.291 366 Q HA 0.078 4.418 4.340 -0.000 0.000 0.205 366 Q C 2.677 178.497 176.000 -0.300 0.000 0.970 366 Q CA 1.112 56.826 55.803 -0.149 0.000 0.876 366 Q CB -0.167 28.507 28.738 -0.107 0.000 0.935 366 Q HN 0.490 nan 8.270 nan 0.000 0.455 367 A N 0.386 122.987 122.820 -0.363 0.000 2.081 367 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 367 A C 2.203 179.408 177.584 -0.632 0.000 1.158 367 A CA 0.993 52.593 52.037 -0.728 0.000 0.724 367 A CB -0.376 17.898 19.000 -1.210 0.000 0.826 367 A HN 0.391 nan 8.150 nan 0.000 0.463 368 G N 0.162 108.794 108.800 -0.280 0.000 2.421 368 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.217 368 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.217 368 G C 1.498 176.259 174.900 -0.232 0.000 1.143 368 G CA 1.327 46.317 45.100 -0.184 0.000 0.784 368 G HN 0.836 nan 8.290 nan 0.000 0.541 369 S N -0.358 115.186 115.700 -0.260 0.000 2.614 369 S HA 0.696 5.166 4.470 -0.000 0.000 0.230 369 S C 0.680 175.071 174.600 -0.348 0.000 0.952 369 S CA 0.130 58.185 58.200 -0.242 0.000 0.949 369 S CB 0.427 63.530 63.200 -0.161 0.000 0.786 369 S HN 0.500 nan 8.310 nan 0.000 0.478 370 A N 2.618 125.090 122.820 -0.580 0.000 2.306 370 A HA 0.734 5.054 4.320 -0.000 0.000 0.330 370 A C -1.165 175.996 177.584 -0.705 0.000 1.146 370 A CA -2.020 49.525 52.037 -0.821 0.000 0.827 370 A CB 0.615 18.629 19.000 -1.643 0.000 1.178 370 A HN 0.237 nan 8.150 nan 0.000 0.490 371 P HA -0.147 nan 4.420 nan 0.000 0.218 371 P C 0.709 177.919 177.300 -0.150 0.000 1.146 371 P CA 1.491 64.436 63.100 -0.257 0.000 0.813 371 P CB -0.074 31.560 31.700 -0.110 0.000 0.778 372 W N -2.068 119.230 121.300 -0.003 0.000 3.223 372 W HA 0.661 5.321 4.660 0.000 0.000 0.389 372 W C 1.030 177.588 176.519 0.066 0.000 1.118 372 W CA -0.029 57.338 57.345 0.037 0.000 1.902 372 W CB -1.120 28.372 29.460 0.053 0.000 1.094 372 W HN -0.129 nan 8.180 nan 0.000 0.666 373 A N 1.357 124.158 122.820 -0.032 0.000 2.024 373 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 373 A C 2.183 179.895 177.584 0.214 0.000 1.164 373 A CA 1.460 53.511 52.037 0.023 0.000 0.643 373 A CB -0.295 18.600 19.000 -0.175 0.000 0.806 373 A HN 0.183 nan 8.150 nan 0.000 0.451 374 Q N -1.086 118.812 119.800 0.164 0.000 2.212 374 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 374 Q C 2.334 178.449 176.000 0.192 0.000 0.950 374 Q CA 1.869 57.756 55.803 0.140 0.000 0.863 374 Q CB -0.755 28.034 28.738 0.086 0.000 0.944 374 Q HN 0.800 nan 8.270 nan 0.000 0.465 375 T N -1.231 113.481 114.554 0.263 0.000 2.978 375 T HA -0.097 4.253 4.350 -0.000 0.000 0.262 375 T C 1.421 176.306 174.700 0.309 0.000 1.063 375 T CA 0.431 62.681 62.100 0.251 0.000 1.140 375 T CB -0.234 68.777 68.868 0.237 0.000 0.886 375 T HN 0.463 nan 8.240 nan 0.000 0.470 376 W N 2.605 124.045 121.300 0.232 0.000 2.332 376 W HA -0.228 4.432 4.660 -0.000 0.000 0.321 376 W C 2.452 179.053 176.519 0.137 0.000 1.219 376 W CA 2.452 59.932 57.345 0.225 0.000 1.277 376 W CB -0.930 28.786 29.460 0.426 0.000 1.161 376 W HN 0.504 nan 8.180 nan 0.000 0.476 377 S N 1.219 117.024 115.700 0.175 0.000 2.402 377 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 377 S C 2.049 176.631 174.600 -0.031 0.000 1.021 377 S CA 1.501 59.685 58.200 -0.026 0.000 0.974 377 S CB -0.972 62.230 63.200 0.004 0.000 0.800 377 S HN 0.311 nan 8.310 nan 0.000 0.484 378 A N 1.483 124.326 122.820 0.038 0.000 2.225 378 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 378 A C 2.369 179.958 177.584 0.009 0.000 1.164 378 A CA 1.577 53.636 52.037 0.036 0.000 0.710 378 A CB -0.890 18.156 19.000 0.075 0.000 0.780 378 A HN 0.873 nan 8.150 nan 0.000 0.473 379 S N -1.074 114.604 115.700 -0.037 0.000 2.483 379 S HA 0.268 4.738 4.470 -0.000 0.000 0.221 379 S C 0.575 175.059 174.600 -0.192 0.000 1.030 379 S CA -0.340 57.807 58.200 -0.088 0.000 0.925 379 S CB -0.421 62.733 63.200 -0.076 0.000 0.795 379 S HN 0.341 nan 8.310 nan 0.000 0.511 380 L N 2.998 124.085 121.223 -0.226 0.000 2.410 380 L HA 0.347 4.687 4.340 -0.000 0.000 0.273 380 L C -2.410 174.352 176.870 -0.180 0.000 1.152 380 L CA -2.093 52.598 54.840 -0.248 0.000 0.855 380 L CB 0.178 42.083 42.059 -0.256 0.000 1.129 380 L HN 0.071 nan 8.230 nan 0.000 0.463 381 P HA -0.061 nan 4.420 nan 0.000 0.264 381 P C -0.776 176.466 177.300 -0.097 0.000 1.179 381 P CA 0.138 63.139 63.100 -0.164 0.000 0.763 381 P CB 0.509 32.109 31.700 -0.167 0.000 0.806 382 V N 3.367 123.236 119.914 -0.075 0.000 2.384 382 V HA 0.459 4.579 4.120 -0.000 0.000 0.287 382 V C 0.399 176.472 176.094 -0.034 0.000 1.020 382 V CA -0.933 61.344 62.300 -0.038 0.000 0.850 382 V CB 1.253 33.061 31.823 -0.025 0.000 0.987 382 V HN 0.658 nan 8.190 nan 0.000 0.436 383 A N 4.057 126.862 122.820 -0.025 0.000 2.545 383 A HA 0.504 4.824 4.320 -0.000 0.000 0.253 383 A C 1.508 179.077 177.584 -0.024 0.000 1.074 383 A CA 0.833 52.855 52.037 -0.025 0.000 0.760 383 A CB -0.524 18.462 19.000 -0.023 0.000 1.005 383 A HN 2.172 nan 8.150 nan 0.000 0.506 384 G N 1.590 110.378 108.800 -0.021 0.000 2.176 384 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.253 384 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.253 384 G C 0.014 174.910 174.900 -0.005 0.000 0.979 384 G CA 0.270 45.362 45.100 -0.014 0.000 0.641 384 G HN 0.782 nan 8.290 nan 0.000 0.530 385 E N 0.990 121.187 120.200 -0.006 0.000 2.180 385 E HA 0.414 4.764 4.350 -0.000 0.000 0.283 385 E C 1.135 177.746 176.600 0.017 0.000 1.061 385 E CA 0.406 56.810 56.400 0.006 0.000 0.861 385 E CB 1.446 31.149 29.700 0.005 0.000 1.056 385 E HN 0.139 nan 8.360 nan 0.000 0.407 386 S N 2.616 118.332 115.700 0.026 0.000 2.356 386 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 386 S C 0.734 175.369 174.600 0.059 0.000 1.032 386 S CA 0.915 59.136 58.200 0.036 0.000 1.005 386 S CB 0.005 63.224 63.200 0.033 0.000 0.867 386 S HN 0.552 nan 8.310 nan 0.000 0.449 387 D N 1.369 121.813 120.400 0.072 0.000 2.434 387 D HA 0.127 4.767 4.640 -0.000 0.000 0.252 387 D C -1.512 174.878 176.300 0.151 0.000 1.185 387 D CA -1.807 52.263 54.000 0.117 0.000 0.886 387 D CB 1.123 41.992 40.800 0.115 0.000 1.148 387 D HN 0.065 nan 8.370 nan 0.000 0.483 388 P HA -0.197 nan 4.420 nan 0.000 0.219 388 P C 0.891 178.297 177.300 0.177 0.000 1.158 388 P CA 1.362 64.626 63.100 0.272 0.000 0.895 388 P CB -0.042 31.870 31.700 0.354 0.000 0.792 389 F N -2.478 117.584 119.950 0.186 0.000 2.797 389 F HA -0.001 4.526 4.527 -0.000 0.000 0.302 389 F C 1.973 177.749 175.800 -0.040 0.000 1.130 389 F CA 0.383 58.427 58.000 0.073 0.000 1.387 389 F CB -0.336 38.757 39.000 0.155 0.000 1.107 389 F HN -0.238 nan 8.300 nan 0.000 0.577 390 V N -1.299 118.680 119.914 0.107 0.000 2.599 390 V HA 0.112 4.232 4.120 -0.000 0.000 0.237 390 V C 2.457 178.522 176.094 -0.048 0.000 1.081 390 V CA 1.519 63.837 62.300 0.030 0.000 1.107 390 V CB -0.957 30.895 31.823 0.049 0.000 0.808 390 V HN 0.264 nan 8.190 nan 0.000 0.486 391 G N -0.912 107.865 108.800 -0.039 0.000 2.464 391 G HA2 0.330 4.290 3.960 -0.000 0.000 0.217 391 G HA3 0.330 4.290 3.960 -0.000 0.000 0.217 391 G C 1.156 175.979 174.900 -0.128 0.000 1.138 391 G CA 1.096 46.158 45.100 -0.062 0.000 0.793 391 G HN 0.878 nan 8.290 nan 0.000 0.539 392 G N 0.150 108.825 108.800 -0.209 0.000 2.622 392 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.307 392 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.307 392 G C 1.439 176.255 174.900 -0.139 0.000 1.226 392 G CA 2.087 46.965 45.100 -0.370 0.000 0.997 392 G HN 1.196 nan 8.290 nan 0.000 0.551 393 T N -0.488 113.981 114.554 -0.142 0.000 3.163 393 T HA 0.376 4.726 4.350 -0.000 0.000 0.260 393 T C 1.893 176.559 174.700 -0.056 0.000 1.156 393 T CA 1.524 63.587 62.100 -0.062 0.000 1.072 393 T CB 0.051 68.878 68.868 -0.068 0.000 0.937 393 T HN 0.509 nan 8.240 nan 0.000 0.528 394 L N 0.022 121.204 121.223 -0.068 0.000 2.910 394 L HA 0.508 4.848 4.340 -0.000 0.000 0.252 394 L C 2.395 179.245 176.870 -0.034 0.000 1.195 394 L CA -0.082 54.729 54.840 -0.049 0.000 1.003 394 L CB -0.111 41.918 42.059 -0.051 0.000 1.328 394 L HN 0.299 nan 8.230 nan 0.000 0.540 395 A N 0.111 122.916 122.820 -0.025 0.000 2.015 395 A HA -0.077 4.242 4.320 -0.000 0.000 0.219 395 A C 1.465 179.047 177.584 -0.003 0.000 1.163 395 A CA 1.186 53.218 52.037 -0.008 0.000 0.646 395 A CB -0.149 18.859 19.000 0.013 0.000 0.806 395 A HN 0.433 nan 8.150 nan 0.000 0.448 396 N N -0.169 118.527 118.700 -0.007 0.000 2.275 396 N HA 0.152 4.891 4.740 -0.000 0.000 0.236 396 N C -0.465 175.036 175.510 -0.016 0.000 1.154 396 N CA 0.088 53.133 53.050 -0.008 0.000 0.866 396 N CB 0.582 39.066 38.487 -0.006 0.000 1.093 396 N HN 0.399 nan 8.380 nan 0.000 0.515 397 R N 0.066 120.554 120.500 -0.020 0.000 2.561 397 R HA 0.405 4.745 4.340 -0.000 0.000 0.297 397 R C 0.440 176.724 176.300 -0.027 0.000 0.969 397 R CA -0.452 55.633 56.100 -0.026 0.000 0.879 397 R CB 1.612 31.894 30.300 -0.030 0.000 1.178 397 R HN 0.010 nan 8.270 nan 0.000 0.445 398 M N 0.325 119.906 119.600 -0.030 0.000 2.943 398 M HA -0.258 4.222 4.480 -0.000 0.000 0.198 398 M C -0.339 175.945 176.300 -0.026 0.000 0.606 398 M CA 1.007 56.287 55.300 -0.033 0.000 0.744 398 M CB -0.974 31.602 32.600 -0.040 0.000 2.671 398 M HN 0.564 nan 8.290 nan 0.000 0.342 399 R N 1.086 121.574 120.500 -0.020 0.000 2.538 399 R HA 0.238 4.578 4.340 -0.000 0.000 0.282 399 R C 1.331 177.624 176.300 -0.012 0.000 1.009 399 R CA 1.235 57.328 56.100 -0.013 0.000 1.063 399 R CB 0.102 30.397 30.300 -0.009 0.000 0.945 399 R HN 0.540 nan 8.270 nan 0.000 0.414 400 G N 2.271 111.066 108.800 -0.008 0.000 2.246 400 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 400 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 400 G C 0.110 175.006 174.900 -0.007 0.000 1.055 400 G CA 0.611 45.708 45.100 -0.005 0.000 0.851 400 G HN 0.736 nan 8.290 nan 0.000 0.500 401 T N -4.659 109.888 114.554 -0.011 0.000 2.773 401 T HA 0.828 5.178 4.350 -0.000 0.000 0.278 401 T C 1.658 176.353 174.700 -0.008 0.000 1.011 401 T CA 0.294 62.387 62.100 -0.012 0.000 1.014 401 T CB 1.305 70.158 68.868 -0.024 0.000 1.293 401 T HN 1.372 nan 8.240 nan 0.000 0.554 402 A N 0.303 123.122 122.820 -0.002 0.000 1.958 402 A HA 0.077 4.397 4.320 -0.000 0.000 0.221 402 A C 2.415 179.967 177.584 -0.052 0.000 1.178 402 A CA 2.328 54.371 52.037 0.010 0.000 0.642 402 A CB -1.543 17.473 19.000 0.027 0.000 0.816 402 A HN 1.300 nan 8.150 nan 0.000 0.453 403 A N -0.778 122.002 122.820 -0.066 0.000 2.123 403 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 403 A C 1.046 178.582 177.584 -0.079 0.000 1.152 403 A CA 0.516 52.497 52.037 -0.094 0.000 0.728 403 A CB -0.327 18.624 19.000 -0.081 0.000 0.814 403 A HN 0.633 nan 8.150 nan 0.000 0.464 404 E N -0.070 120.100 120.200 -0.051 0.000 2.558 404 E HA 0.237 4.587 4.350 -0.000 0.000 0.255 404 E C 1.213 177.791 176.600 -0.038 0.000 0.968 404 E CA 0.625 57.005 56.400 -0.034 0.000 0.939 404 E CB -0.117 29.573 29.700 -0.017 0.000 0.921 404 E HN 0.682 nan 8.360 nan 0.000 0.477 405 G N 2.665 111.447 108.800 -0.030 0.000 2.189 405 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 405 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 405 G C 0.649 175.525 174.900 -0.040 0.000 0.975 405 G CA 0.385 45.473 45.100 -0.021 0.000 0.644 405 G HN 0.487 nan 8.290 nan 0.000 0.537 406 V N -0.459 119.402 119.914 -0.088 0.000 2.840 406 V HA 0.249 4.369 4.120 -0.000 0.000 0.234 406 V C 1.691 177.750 176.094 -0.060 0.000 1.159 406 V CA 0.931 63.145 62.300 -0.143 0.000 1.194 406 V CB 0.598 32.167 31.823 -0.423 0.000 0.971 406 V HN 0.195 nan 8.190 nan 0.000 0.494 407 V N 2.030 121.919 119.914 -0.042 0.000 2.572 407 V HA 0.147 4.267 4.120 -0.000 0.000 0.291 407 V C -0.068 176.063 176.094 0.062 0.000 1.039 407 V CA 0.263 62.591 62.300 0.045 0.000 1.055 407 V CB 0.677 32.523 31.823 0.038 0.000 0.969 407 V HN 0.495 nan 8.190 nan 0.000 0.482 408 E N 3.586 123.853 120.200 0.111 0.000 2.185 408 E HA 0.725 5.075 4.350 -0.000 0.000 0.261 408 E C -0.544 176.066 176.600 0.016 0.000 0.879 408 E CA -0.347 56.090 56.400 0.062 0.000 0.756 408 E CB 1.950 31.716 29.700 0.109 0.000 1.152 408 E HN 0.820 nan 8.360 nan 0.000 0.416 409 A N 2.951 125.737 122.820 -0.056 0.000 2.594 409 A HA 0.589 4.909 4.320 -0.000 0.000 0.295 409 A C -1.416 176.068 177.584 -0.167 0.000 1.071 409 A CA -0.852 51.104 52.037 -0.136 0.000 0.685 409 A CB 1.698 20.693 19.000 -0.008 0.000 1.285 409 A HN 0.364 nan 8.150 nan 0.000 0.405 410 K N 0.962 121.231 120.400 -0.218 0.000 2.185 410 K HA 0.630 4.950 4.320 -0.000 0.000 0.269 410 K C 0.539 177.056 176.600 -0.138 0.000 0.987 410 K CA 0.406 56.571 56.287 -0.203 0.000 0.865 410 K CB 0.933 33.288 32.500 -0.243 0.000 1.090 410 K HN 0.938 nan 8.250 nan 0.000 0.450 411 T N -0.030 114.453 114.554 -0.120 0.000 2.867 411 T HA 0.813 5.163 4.350 -0.000 0.000 0.286 411 T C 0.213 174.867 174.700 -0.078 0.000 1.022 411 T CA -0.445 61.605 62.100 -0.084 0.000 0.933 411 T CB 1.112 69.932 68.868 -0.081 0.000 1.280 411 T HN 0.727 nan 8.240 nan 0.000 0.566 412 G N 0.110 108.868 108.800 -0.070 0.000 1.980 412 G HA2 0.438 4.398 3.960 -0.000 0.000 0.198 412 G HA3 0.438 4.398 3.960 -0.000 0.000 0.198 412 G C -0.597 174.261 174.900 -0.071 0.000 1.587 412 G CA -0.199 44.856 45.100 -0.074 0.000 0.975 412 G HN 1.216 nan 8.290 nan 0.000 0.682 413 T N 0.401 114.896 114.554 -0.098 0.000 2.883 413 T HA 0.912 5.262 4.350 -0.000 0.000 0.301 413 T C -0.126 174.484 174.700 -0.149 0.000 1.158 413 T CA 0.127 62.173 62.100 -0.090 0.000 1.007 413 T CB 2.126 70.959 68.868 -0.058 0.000 1.186 413 T HN 1.910 nan 8.240 nan 0.000 0.499 414 M N 0.072 119.595 119.600 -0.130 0.000 2.880 414 M HA 0.622 5.102 4.480 -0.000 0.000 0.269 414 M C -0.820 175.411 176.300 -0.114 0.000 1.248 414 M CA -1.047 54.145 55.300 -0.180 0.000 0.821 414 M CB 1.243 33.683 32.600 -0.267 0.000 1.650 414 M HN 0.406 nan 8.290 nan 0.000 0.479 415 S N 1.281 116.908 115.700 -0.122 0.000 2.998 415 S HA 0.287 4.757 4.470 -0.000 0.000 0.348 415 S C 1.206 175.735 174.600 -0.119 0.000 1.210 415 S CA 1.535 59.687 58.200 -0.080 0.000 1.118 415 S CB -0.718 62.455 63.200 -0.044 0.000 0.832 415 S HN 1.437 nan 8.310 nan 0.000 0.516 416 G N 2.016 110.704 108.800 -0.187 0.000 2.155 416 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 416 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 416 G C 0.011 174.658 174.900 -0.422 0.000 0.983 416 G CA 0.221 45.035 45.100 -0.476 0.000 0.676 416 G HN 0.836 nan 8.290 nan 0.000 0.528 417 V N -0.641 119.207 119.914 -0.110 0.000 2.760 417 V HA 0.880 5.000 4.120 -0.000 0.000 0.309 417 V C -0.095 176.076 176.094 0.128 0.000 1.077 417 V CA -0.033 62.288 62.300 0.035 0.000 0.910 417 V CB 2.112 33.909 31.823 -0.045 0.000 1.008 417 V HN 0.813 nan 8.190 nan 0.000 0.424 418 S N 1.956 117.739 115.700 0.138 0.000 2.543 418 S HA 0.891 5.361 4.470 -0.000 0.000 0.274 418 S C -1.320 173.293 174.600 0.022 0.000 1.149 418 S CA 0.287 58.515 58.200 0.047 0.000 0.866 418 S CB 1.793 64.997 63.200 0.006 0.000 1.111 418 S HN 1.661 nan 8.310 nan 0.000 0.457 419 A N 2.168 124.987 122.820 -0.002 0.000 2.549 419 A HA 0.886 5.206 4.320 -0.000 0.000 0.297 419 A C -1.992 175.592 177.584 0.000 0.000 1.061 419 A CA -0.533 51.508 52.037 0.006 0.000 0.690 419 A CB 1.710 20.715 19.000 0.009 0.000 1.287 419 A HN 1.110 nan 8.150 nan 0.000 0.402 420 L N 1.003 122.244 121.223 0.031 0.000 2.505 420 L HA 0.782 5.122 4.340 -0.000 0.000 0.266 420 L C -0.872 176.025 176.870 0.045 0.000 0.954 420 L CA 0.368 55.238 54.840 0.051 0.000 0.852 420 L CB 2.255 44.385 42.059 0.119 0.000 1.282 420 L HN 0.702 nan 8.230 nan 0.000 0.403 421 S N 2.498 118.080 115.700 -0.197 0.000 2.540 421 S HA 1.014 5.484 4.470 -0.000 0.000 0.275 421 S C -0.259 173.853 174.600 -0.812 0.000 1.123 421 S CA -0.086 57.775 58.200 -0.565 0.000 0.907 421 S CB 1.875 64.880 63.200 -0.324 0.000 1.081 421 S HN 1.156 nan 8.310 nan 0.000 0.476 422 G N 1.024 108.997 108.800 -1.378 0.000 2.512 422 G HA2 0.435 4.395 3.960 -0.000 0.000 0.181 422 G HA3 0.435 4.395 3.960 -0.000 0.000 0.181 422 G C -2.423 171.861 174.900 -1.026 0.000 1.173 422 G CA -0.519 43.948 45.100 -1.056 0.000 0.988 422 G HN 0.500 nan 8.290 nan 0.000 0.485 423 Y N -1.254 118.969 120.300 -0.129 0.000 2.570 423 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 423 Y C -0.110 175.914 175.900 0.207 0.000 1.014 423 Y CA -0.998 57.148 58.100 0.077 0.000 1.063 423 Y CB 2.727 41.219 38.460 0.054 0.000 1.272 423 Y HN 0.348 nan 8.280 nan 0.000 0.477 424 V N 2.568 122.701 119.914 0.366 0.000 2.498 424 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 424 V C -2.831 173.385 176.094 0.203 0.000 1.015 424 V CA -1.828 60.612 62.300 0.234 0.000 0.867 424 V CB 1.475 33.423 31.823 0.208 0.000 1.025 424 V HN 0.503 nan 8.190 nan 0.000 0.441 425 P HA 0.362 nan 4.420 nan 0.000 0.287 425 P C 0.251 177.709 177.300 0.264 0.000 1.307 425 P CA 0.268 63.467 63.100 0.165 0.000 0.777 425 P CB 1.236 33.008 31.700 0.120 0.000 0.883 426 G N 4.332 113.256 108.800 0.208 0.000 2.356 426 G HA2 0.374 4.334 3.960 -0.000 0.000 0.322 426 G HA3 0.374 4.334 3.960 -0.000 0.000 0.322 426 G C -1.646 173.291 174.900 0.061 0.000 1.125 426 G CA -1.686 43.518 45.100 0.173 0.000 0.885 426 G HN 0.214 nan 8.290 nan 0.000 0.467 427 P HA -0.174 nan 4.420 nan 0.000 0.219 427 P C 1.327 178.603 177.300 -0.041 0.000 1.145 427 P CA 1.120 64.182 63.100 -0.063 0.000 0.813 427 P CB 0.474 32.090 31.700 -0.140 0.000 0.771 428 E N -0.599 119.582 120.200 -0.031 0.000 2.030 428 E HA 0.198 4.548 4.350 -0.000 0.000 0.189 428 E C 1.423 178.037 176.600 0.024 0.000 0.974 428 E CA 1.199 57.587 56.400 -0.020 0.000 0.807 428 E CB -0.428 29.241 29.700 -0.052 0.000 0.771 428 E HN 0.260 nan 8.360 nan 0.000 0.451 429 G N 0.443 109.283 108.800 0.066 0.000 2.377 429 G HA2 0.098 4.058 3.960 -0.000 0.000 0.297 429 G HA3 0.098 4.058 3.960 -0.000 0.000 0.297 429 G C -1.517 173.456 174.900 0.121 0.000 1.547 429 G CA -0.855 44.296 45.100 0.084 0.000 0.833 429 G HN -0.025 nan 8.290 nan 0.000 0.583 430 E N -0.177 120.089 120.200 0.110 0.000 2.415 430 E HA 0.309 4.659 4.350 -0.000 0.000 0.263 430 E C -0.218 176.492 176.600 0.184 0.000 0.995 430 E CA 0.144 56.629 56.400 0.142 0.000 0.915 430 E CB 0.425 30.185 29.700 0.099 0.000 0.951 430 E HN 0.336 nan 8.360 nan 0.000 0.449 431 L N 2.501 123.866 121.223 0.236 0.000 2.342 431 L HA 0.676 5.016 4.340 -0.000 0.000 0.271 431 L C -0.434 176.613 176.870 0.295 0.000 1.008 431 L CA -1.037 53.949 54.840 0.242 0.000 0.818 431 L CB 1.934 44.129 42.059 0.226 0.000 1.296 431 L HN 0.520 nan 8.230 nan 0.000 0.427 432 A N 2.433 125.380 122.820 0.212 0.000 2.331 432 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 432 A C -1.037 176.594 177.584 0.079 0.000 1.138 432 A CA -0.347 51.724 52.037 0.056 0.000 0.790 432 A CB 0.892 19.910 19.000 0.030 0.000 1.206 432 A HN 0.579 nan 8.150 nan 0.000 0.470 433 F N 0.447 120.343 119.950 -0.090 0.000 2.613 433 F HA 0.879 5.406 4.527 -0.000 0.000 0.314 433 F C -0.407 175.348 175.800 -0.075 0.000 1.075 433 F CA -1.027 56.938 58.000 -0.059 0.000 0.945 433 F CB 1.736 40.705 39.000 -0.052 0.000 1.310 433 F HN 0.460 nan 8.300 nan 0.000 0.467 434 S N 2.095 117.871 115.700 0.126 0.000 2.614 434 S HA 0.755 5.225 4.470 -0.000 0.000 0.275 434 S C -1.500 173.199 174.600 0.165 0.000 1.161 434 S CA -0.511 57.712 58.200 0.038 0.000 0.969 434 S CB 0.766 63.956 63.200 -0.017 0.000 1.059 434 S HN 0.659 nan 8.310 nan 0.000 0.482 435 I N 4.429 125.096 120.570 0.162 0.000 2.410 435 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 435 I C -0.947 175.212 176.117 0.070 0.000 1.009 435 I CA -0.821 60.548 61.300 0.116 0.000 1.111 435 I CB 1.981 40.045 38.000 0.107 0.000 1.262 435 I HN 0.293 nan 8.210 nan 0.000 0.443 436 V N 5.916 125.867 119.914 0.061 0.000 2.407 436 V HA 0.438 4.558 4.120 -0.000 0.000 0.291 436 V C -0.488 175.640 176.094 0.057 0.000 1.018 436 V CA -0.675 61.656 62.300 0.052 0.000 0.842 436 V CB 1.667 33.522 31.823 0.052 0.000 0.996 436 V HN 0.646 nan 8.190 nan 0.000 0.426 437 N N 4.369 123.109 118.700 0.066 0.000 2.407 437 N HA 0.473 5.213 4.740 -0.000 0.000 0.277 437 N C -0.988 174.627 175.510 0.175 0.000 0.995 437 N CA -0.331 52.781 53.050 0.103 0.000 0.903 437 N CB 2.122 40.638 38.487 0.048 0.000 1.218 437 N HN 0.674 nan 8.380 nan 0.000 0.487 438 N N -0.180 118.602 118.700 0.138 0.000 2.238 438 N HA 0.419 5.159 4.740 -0.000 0.000 0.302 438 N C 0.439 175.962 175.510 0.022 0.000 1.072 438 N CA -0.389 52.695 53.050 0.057 0.000 0.792 438 N CB 2.348 40.847 38.487 0.020 0.000 1.425 438 N HN 0.669 nan 8.380 nan 0.000 0.478 439 G N 1.001 109.716 108.800 -0.141 0.000 2.175 439 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 439 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 439 G C 0.090 174.918 174.900 -0.120 0.000 0.982 439 G CA 0.173 45.198 45.100 -0.125 0.000 0.641 439 G HN 0.857 nan 8.290 nan 0.000 0.527 440 H N 0.334 119.403 119.070 -0.001 0.000 2.745 440 H HA 0.571 5.127 4.556 -0.000 0.000 0.373 440 H C 1.179 176.506 175.328 -0.001 0.000 1.226 440 H CA 0.571 56.618 56.048 -0.002 0.000 1.435 440 H CB 0.918 30.676 29.762 -0.007 0.000 1.461 440 H HN 0.414 nan 8.280 nan 0.000 0.616 441 S N 0.316 116.072 115.700 0.092 0.000 2.559 441 S HA 0.237 4.707 4.470 -0.000 0.000 0.226 441 S C 1.262 175.909 174.600 0.077 0.000 1.030 441 S CA -0.191 58.033 58.200 0.039 0.000 0.956 441 S CB 0.427 63.637 63.200 0.017 0.000 0.900 441 S HN 0.880 nan 8.310 nan 0.000 0.510 442 G N 3.148 112.018 108.800 0.116 0.000 2.514 442 G HA2 0.484 4.444 3.960 -0.000 0.000 0.245 442 G HA3 0.484 4.444 3.960 -0.000 0.000 0.245 442 G C -2.274 172.691 174.900 0.107 0.000 1.488 442 G CA -1.039 44.111 45.100 0.082 0.000 1.063 442 G HN 0.333 nan 8.290 nan 0.000 0.557 443 P HA 0.347 nan 4.420 nan 0.000 0.272 443 P C -0.185 177.108 177.300 -0.011 0.000 1.230 443 P CA -0.104 63.014 63.100 0.030 0.000 0.788 443 P CB 0.572 32.267 31.700 -0.007 0.000 0.949 444 A N 3.507 126.304 122.820 -0.038 0.000 2.567 444 A HA 0.147 4.467 4.320 -0.000 0.000 0.240 444 A C -1.386 176.053 177.584 -0.242 0.000 1.053 444 A CA -0.734 51.187 52.037 -0.193 0.000 0.755 444 A CB -1.214 17.738 19.000 -0.080 0.000 0.978 444 A HN 0.436 nan 8.150 nan 0.000 0.507 445 P HA 0.039 nan 4.420 nan 0.000 0.262 445 P C 0.767 177.980 177.300 -0.145 0.000 1.647 445 P CA 0.130 63.094 63.100 -0.227 0.000 0.865 445 P CB -0.222 31.328 31.700 -0.251 0.000 1.834 446 L N -0.131 121.022 121.223 -0.117 0.000 2.127 446 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 446 L C 2.529 179.354 176.870 -0.074 0.000 1.089 446 L CA 1.663 56.453 54.840 -0.083 0.000 0.757 446 L CB -1.069 40.949 42.059 -0.068 0.000 0.899 446 L HN 0.103 nan 8.230 nan 0.000 0.434 447 A N -0.448 122.328 122.820 -0.073 0.000 1.969 447 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 447 A C 2.373 179.914 177.584 -0.072 0.000 1.169 447 A CA 1.382 53.380 52.037 -0.065 0.000 0.635 447 A CB -0.604 18.362 19.000 -0.056 0.000 0.810 447 A HN 0.183 nan 8.150 nan 0.000 0.445 448 V N -0.159 119.706 119.914 -0.081 0.000 2.379 448 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 448 V C 2.629 178.665 176.094 -0.096 0.000 1.044 448 V CA 2.207 64.455 62.300 -0.086 0.000 1.036 448 V CB -0.760 31.012 31.823 -0.085 0.000 0.664 448 V HN 0.647 nan 8.190 nan 0.000 0.453 449 Q N -0.452 119.295 119.800 -0.088 0.000 2.096 449 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 449 Q C 2.038 177.975 176.000 -0.105 0.000 0.982 449 Q CA 1.933 57.687 55.803 -0.082 0.000 0.850 449 Q CB -0.262 28.447 28.738 -0.050 0.000 0.901 449 Q HN 0.631 nan 8.270 nan 0.000 0.422 450 D N 0.395 120.741 120.400 -0.089 0.000 2.104 450 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 450 D C 1.810 178.040 176.300 -0.115 0.000 0.994 450 D CA 1.456 55.401 54.000 -0.092 0.000 0.830 450 D CB -0.320 40.439 40.800 -0.069 0.000 0.959 450 D HN 0.277 nan 8.370 nan 0.000 0.452 451 A N 0.811 123.567 122.820 -0.108 0.000 1.908 451 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 451 A C 2.404 179.900 177.584 -0.147 0.000 1.181 451 A CA 1.177 53.149 52.037 -0.108 0.000 0.627 451 A CB -0.760 18.184 19.000 -0.093 0.000 0.818 451 A HN 0.238 nan 8.150 nan 0.000 0.445 452 I N -0.343 120.114 120.570 -0.188 0.000 2.252 452 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 452 I C 2.950 178.863 176.117 -0.339 0.000 1.102 452 I CA 0.887 62.032 61.300 -0.259 0.000 1.385 452 I CB -0.549 37.277 38.000 -0.291 0.000 1.064 452 I HN 0.323 nan 8.210 nan 0.000 0.414 453 A N 1.076 123.667 122.820 -0.380 0.000 1.873 453 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 453 A C 2.489 179.921 177.584 -0.253 0.000 1.193 453 A CA 2.286 54.059 52.037 -0.441 0.000 0.629 453 A CB -1.161 17.648 19.000 -0.319 0.000 0.826 453 A HN 0.233 nan 8.150 nan 0.000 0.447 454 V N 0.022 119.836 119.914 -0.166 0.000 2.287 454 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 454 V C 2.688 178.736 176.094 -0.078 0.000 1.053 454 V CA 2.523 64.762 62.300 -0.101 0.000 1.027 454 V CB -0.879 30.898 31.823 -0.075 0.000 0.646 454 V HN 0.661 nan 8.190 nan 0.000 0.447 455 R N 0.303 120.747 120.500 -0.094 0.000 2.083 455 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 455 R C 2.079 178.359 176.300 -0.034 0.000 1.137 455 R CA 1.832 57.895 56.100 -0.062 0.000 0.951 455 R CB -0.903 29.340 30.300 -0.095 0.000 0.851 455 R HN 0.501 nan 8.270 nan 0.000 0.434 456 L N -0.289 120.870 121.223 -0.107 0.000 2.042 456 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 456 L C 2.481 179.383 176.870 0.054 0.000 1.076 456 L CA 1.450 56.254 54.840 -0.061 0.000 0.749 456 L CB -0.625 41.315 42.059 -0.199 0.000 0.893 456 L HN 0.354 nan 8.230 nan 0.000 0.432 457 A N -0.351 122.471 122.820 0.003 0.000 1.933 457 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 457 A C 2.168 179.842 177.584 0.151 0.000 1.175 457 A CA 1.668 53.733 52.037 0.048 0.000 0.628 457 A CB -0.396 18.569 19.000 -0.058 0.000 0.814 457 A HN 0.444 nan 8.150 nan 0.000 0.444 458 E N -1.737 118.526 120.200 0.104 0.000 2.077 458 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 458 E C 1.805 178.472 176.600 0.113 0.000 0.989 458 E CA 1.304 57.764 56.400 0.101 0.000 0.800 458 E CB -0.298 29.439 29.700 0.063 0.000 0.746 458 E HN 0.751 nan 8.360 nan 0.000 0.452 459 Y N 0.799 121.112 120.300 0.023 0.000 2.151 459 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 459 Y C 1.917 177.845 175.900 0.046 0.000 1.166 459 Y CA 1.502 59.618 58.100 0.026 0.000 1.163 459 Y CB -0.108 38.362 38.460 0.017 0.000 0.974 459 Y HN -0.007 nan 8.280 nan 0.000 0.511 460 A N -0.653 122.276 122.820 0.181 0.000 2.261 460 A HA 0.332 4.652 4.320 -0.000 0.000 0.208 460 A C 1.780 179.395 177.584 0.052 0.000 1.223 460 A CA 0.804 52.929 52.037 0.147 0.000 0.833 460 A CB -1.484 17.677 19.000 0.269 0.000 0.830 460 A HN 0.899 nan 8.150 nan 0.000 0.483 461 G N -1.075 107.721 108.800 -0.007 0.000 2.143 461 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 461 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 461 G C 0.170 174.988 174.900 -0.138 0.000 0.991 461 G CA 0.391 45.435 45.100 -0.093 0.000 0.689 461 G HN 0.726 nan 8.290 nan 0.000 0.522 462 H N 0.256 119.324 119.070 -0.003 0.000 2.534 462 H HA 0.551 5.107 4.556 -0.000 0.000 0.364 462 H C 0.722 176.048 175.328 -0.003 0.000 1.328 462 H CA 0.795 56.844 56.048 0.001 0.000 1.415 462 H CB 0.923 30.690 29.762 0.009 0.000 1.573 462 H HN 0.681 nan 8.280 nan 0.000 0.601 463 Q N -0.326 119.554 119.800 0.133 0.000 2.377 463 Q HA 0.595 4.935 4.340 -0.000 0.000 0.279 463 Q C -1.524 174.510 176.000 0.056 0.000 1.049 463 Q CA -1.284 54.558 55.803 0.065 0.000 0.825 463 Q CB 2.138 30.894 28.738 0.030 0.000 1.401 463 Q HN 0.643 nan 8.270 nan 0.000 0.404 464 A N 3.251 126.091 122.820 0.032 0.000 2.548 464 A HA 0.352 4.672 4.320 -0.000 0.000 0.247 464 A C -1.922 175.673 177.584 0.020 0.000 1.067 464 A CA -0.722 51.327 52.037 0.020 0.000 0.757 464 A CB -0.609 18.396 19.000 0.009 0.000 0.996 464 A HN 0.575 nan 8.150 nan 0.000 0.504 465 P HA 0.225 nan 4.420 nan 0.000 0.271 465 P C -0.322 176.984 177.300 0.010 0.000 1.216 465 P CA 0.272 63.381 63.100 0.016 0.000 0.771 465 P CB 0.924 32.633 31.700 0.016 0.000 0.864 466 E N 0.291 120.496 120.200 0.009 0.000 2.370 466 E HA 0.797 5.147 4.350 -0.000 0.000 0.259 466 E C -0.118 176.485 176.600 0.006 0.000 0.947 466 E CA -0.998 55.405 56.400 0.006 0.000 0.809 466 E CB 1.980 31.683 29.700 0.005 0.000 1.300 466 E HN 0.647 nan 8.360 nan 0.000 0.419 467 G N 0.000 108.803 108.800 0.004 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925