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 1dlj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKIAVAGSGY VGLSLGVLLS LQNEVTIVDI LPSKVDKINN GLSPIQDEYI DATA SEQUENCE EYYLKSKQLS IKATLDSKAA YKEAELVIIA TPTNYNSRIN YFDTQHVETV DATA SEQUENCE IKEVLSVNSH ATLIIKSTIP IGFITEMRQK FQTDRIIFSP EFLRESKALY DATA SEQUENCE DNLYPSRIIV SCEENDSPKV KADAEKFALL LKSAAKKNNV PVLIMGASEA DATA SEQUENCE EAVKLFANTY LALRVAYFNE LDTYAESRKL NSHMIIQGIS YDDRIGMHYN DATA SEQUENCE NPSFGYGGYS LPKDTKQLLA NYNNIPQTLI EAIVSSNNVR KSYIAKQIIN DATA SEQUENCE VLKEQESPVK VVGVYRLIMK SNSDNFRESA IKDVIDILKS KDIKIIIYEP DATA SEQUENCE MLNKLESEDQ SVLVNDLENF KKQANIIVTN RYDNELQDVK NKVYSRDIFG DATA SEQUENCE RD 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.633 32.600 0.055 0.000 1.302 2 K N 4.219 124.652 120.400 0.055 0.000 2.285 2 K HA 0.584 4.905 4.320 0.001 0.000 0.286 2 K C -1.192 175.449 176.600 0.067 0.000 1.072 2 K CA -0.001 56.320 56.287 0.057 0.000 0.913 2 K CB 0.488 33.023 32.500 0.059 0.000 1.067 2 K HN 0.467 nan 8.250 nan 0.000 0.479 3 I N 2.179 122.789 120.570 0.065 0.000 2.465 3 I HA 0.348 4.519 4.170 0.001 0.000 0.291 3 I C -0.345 175.816 176.117 0.072 0.000 1.014 3 I CA -0.891 60.452 61.300 0.072 0.000 1.093 3 I CB 2.042 40.093 38.000 0.085 0.000 1.267 3 I HN 0.530 nan 8.210 nan 0.000 0.431 4 A N 6.091 128.962 122.820 0.085 0.000 2.317 4 A HA 0.813 5.133 4.320 0.001 0.000 0.327 4 A C -0.788 176.865 177.584 0.115 0.000 1.178 4 A CA -0.511 51.599 52.037 0.121 0.000 0.817 4 A CB 1.298 20.440 19.000 0.236 0.000 1.189 4 A HN 0.448 nan 8.150 nan 0.000 0.489 5 V N 1.943 121.923 119.914 0.111 0.000 2.444 5 V HA 0.592 4.713 4.120 0.001 0.000 0.294 5 V C 0.454 176.620 176.094 0.119 0.000 1.022 5 V CA -0.418 61.934 62.300 0.088 0.000 0.850 5 V CB 1.393 33.253 31.823 0.062 0.000 0.992 5 V HN 1.138 nan 8.190 nan 0.000 0.426 6 A N 3.961 126.855 122.820 0.124 0.000 2.279 6 A HA 0.794 5.115 4.320 0.001 0.000 0.306 6 A C 0.659 178.289 177.584 0.076 0.000 1.300 6 A CA 0.369 52.496 52.037 0.149 0.000 0.925 6 A CB -0.091 18.997 19.000 0.147 0.000 1.152 6 A HN 2.018 nan 8.150 nan 0.000 0.544 7 G N 1.339 110.171 108.800 0.053 0.000 3.367 7 G HA2 0.097 4.058 3.960 0.001 0.000 0.686 7 G HA3 0.097 4.058 3.960 0.001 0.000 0.686 7 G C -0.169 174.731 174.900 -0.001 0.000 1.146 7 G CA -0.256 44.854 45.100 0.017 0.000 0.913 7 G HN 1.097 nan 8.290 nan 0.000 0.554 8 S N 1.463 117.145 115.700 -0.031 0.000 2.481 8 S HA 0.560 5.031 4.470 0.001 0.000 0.243 8 S C 1.288 175.829 174.600 -0.098 0.000 1.152 8 S CA 0.242 58.412 58.200 -0.050 0.000 1.168 8 S CB 0.666 63.834 63.200 -0.053 0.000 0.835 8 S HN 1.305 nan 8.310 nan 0.000 0.474 9 G N 0.271 109.017 108.800 -0.090 0.000 2.509 9 G HA2 0.392 4.352 3.960 0.001 0.000 0.269 9 G HA3 0.392 4.352 3.960 0.001 0.000 0.269 9 G C 0.333 175.139 174.900 -0.157 0.000 1.416 9 G CA -0.453 44.548 45.100 -0.165 0.000 1.052 9 G HN 0.327 nan 8.290 nan 0.000 0.542 10 Y N -0.936 119.366 120.300 0.004 0.000 2.151 10 Y HA -0.154 4.396 4.550 0.001 0.000 0.284 10 Y C 2.996 178.909 175.900 0.021 0.000 1.166 10 Y CA 1.437 59.547 58.100 0.017 0.000 1.163 10 Y CB -0.740 37.739 38.460 0.032 0.000 0.974 10 Y HN 0.059 nan 8.280 nan 0.000 0.511 11 V N -0.652 119.371 119.914 0.182 0.000 2.255 11 V HA -0.191 3.930 4.120 0.001 0.000 0.243 11 V C 2.569 178.701 176.094 0.063 0.000 1.038 11 V CA 1.888 64.252 62.300 0.107 0.000 1.008 11 V CB -1.430 30.448 31.823 0.092 0.000 0.645 11 V HN 0.527 nan 8.190 nan 0.000 0.449 12 G N -0.074 108.754 108.800 0.047 0.000 2.446 12 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 12 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 12 G C 1.596 176.509 174.900 0.021 0.000 1.168 12 G CA 1.338 46.456 45.100 0.031 0.000 0.771 12 G HN 0.398 nan 8.290 nan 0.000 0.551 13 L N 1.029 122.254 121.223 0.003 0.000 2.056 13 L HA 0.059 4.399 4.340 0.001 0.000 0.207 13 L C 3.001 179.878 176.870 0.012 0.000 1.078 13 L CA 2.301 57.140 54.840 -0.003 0.000 0.749 13 L CB -0.783 41.255 42.059 -0.034 0.000 0.901 13 L HN 0.275 nan 8.230 nan 0.000 0.433 14 S N -0.658 115.057 115.700 0.025 0.000 2.359 14 S HA -0.226 4.245 4.470 0.001 0.000 0.223 14 S C 2.072 176.668 174.600 -0.006 0.000 1.039 14 S CA 1.986 60.195 58.200 0.015 0.000 1.042 14 S CB -0.513 62.711 63.200 0.041 0.000 0.915 14 S HN 0.477 nan 8.310 nan 0.000 0.439 15 L N 0.768 122.001 121.223 0.015 0.000 2.093 15 L HA 0.040 4.381 4.340 0.001 0.000 0.208 15 L C 2.960 179.849 176.870 0.031 0.000 1.085 15 L CA 1.155 56.009 54.840 0.024 0.000 0.755 15 L CB -1.219 40.876 42.059 0.061 0.000 0.904 15 L HN 0.537 nan 8.230 nan 0.000 0.435 16 G N -0.281 108.540 108.800 0.034 0.000 2.418 16 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 16 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 16 G C 1.595 176.516 174.900 0.035 0.000 1.158 16 G CA 0.920 46.043 45.100 0.038 0.000 0.771 16 G HN 0.183 nan 8.290 nan 0.000 0.545 17 V N 0.641 120.571 119.914 0.025 0.000 2.379 17 V HA -0.092 4.029 4.120 0.001 0.000 0.245 17 V C 2.659 178.773 176.094 0.034 0.000 1.044 17 V CA 1.524 63.848 62.300 0.041 0.000 1.036 17 V CB -0.386 31.457 31.823 0.034 0.000 0.664 17 V HN 0.363 nan 8.190 nan 0.000 0.453 18 L N -0.008 121.199 121.223 -0.026 0.000 1.990 18 L HA -0.178 4.163 4.340 0.001 0.000 0.213 18 L C 2.104 178.978 176.870 0.006 0.000 1.072 18 L CA 2.094 56.907 54.840 -0.045 0.000 0.755 18 L CB -0.456 41.554 42.059 -0.082 0.000 0.889 18 L HN 0.231 nan 8.230 nan 0.000 0.432 19 L N -0.536 120.696 121.223 0.015 0.000 2.478 19 L HA -0.030 4.310 4.340 0.001 0.000 0.223 19 L C 2.293 179.189 176.870 0.043 0.000 1.140 19 L CA 0.832 55.688 54.840 0.027 0.000 0.842 19 L CB -0.633 41.456 42.059 0.050 0.000 0.953 19 L HN 0.491 nan 8.230 nan 0.000 0.452 20 S N -0.745 114.987 115.700 0.054 0.000 2.562 20 S HA 0.028 4.498 4.470 0.001 0.000 0.221 20 S C 1.700 176.335 174.600 0.058 0.000 0.975 20 S CA 0.144 58.377 58.200 0.055 0.000 0.918 20 S CB -0.223 63.011 63.200 0.058 0.000 0.772 20 S HN 0.372 nan 8.310 nan 0.000 0.531 21 L N 0.096 121.362 121.223 0.072 0.000 2.072 21 L HA 0.098 4.439 4.340 0.001 0.000 0.205 21 L C 2.183 179.076 176.870 0.038 0.000 1.079 21 L CA 0.920 55.801 54.840 0.068 0.000 0.752 21 L CB -0.220 41.898 42.059 0.097 0.000 0.906 21 L HN 0.301 nan 8.230 nan 0.000 0.436 22 Q N -0.979 118.841 119.800 0.032 0.000 2.118 22 Q HA 0.320 4.661 4.340 0.001 0.000 0.219 22 Q C -0.680 175.334 176.000 0.022 0.000 0.794 22 Q CA 0.060 55.875 55.803 0.021 0.000 1.035 22 Q CB 0.939 29.685 28.738 0.013 0.000 1.177 22 Q HN 0.406 nan 8.270 nan 0.000 0.478 23 N N 0.315 119.033 118.700 0.029 0.000 2.509 23 N HA 0.226 4.966 4.740 0.001 0.000 0.280 23 N C -1.016 174.514 175.510 0.034 0.000 1.306 23 N CA -0.487 52.583 53.050 0.033 0.000 0.782 23 N CB 1.800 40.312 38.487 0.042 0.000 1.493 23 N HN -0.035 nan 8.380 nan 0.000 0.498 24 E N 1.327 121.548 120.200 0.035 0.000 2.014 24 E HA 0.309 4.660 4.350 0.001 0.000 0.275 24 E C -1.082 175.541 176.600 0.037 0.000 0.997 24 E CA -0.436 55.982 56.400 0.031 0.000 0.804 24 E CB 0.671 30.387 29.700 0.028 0.000 1.090 24 E HN 0.194 nan 8.360 nan 0.000 0.401 25 V N 3.748 123.684 119.914 0.036 0.000 2.472 25 V HA 0.341 4.461 4.120 0.001 0.000 0.290 25 V C 0.048 176.160 176.094 0.029 0.000 1.037 25 V CA -0.490 61.833 62.300 0.039 0.000 0.908 25 V CB 1.909 33.757 31.823 0.043 0.000 0.985 25 V HN 0.625 nan 8.190 nan 0.000 0.454 26 T N 5.982 120.555 114.554 0.031 0.000 2.847 26 T HA 0.586 4.936 4.350 0.001 0.000 0.291 26 T C -0.339 174.373 174.700 0.020 0.000 0.998 26 T CA -0.165 61.943 62.100 0.014 0.000 0.967 26 T CB 0.817 69.685 68.868 0.001 0.000 0.954 26 T HN 0.371 nan 8.240 nan 0.000 0.441 27 I N 3.185 123.760 120.570 0.009 0.000 2.353 27 I HA 0.450 4.620 4.170 0.001 0.000 0.293 27 I C -0.195 175.916 176.117 -0.009 0.000 0.992 27 I CA -0.945 60.362 61.300 0.013 0.000 1.268 27 I CB 1.447 39.451 38.000 0.007 0.000 1.387 27 I HN 0.232 nan 8.210 nan 0.000 0.478 28 V N 5.617 125.533 119.914 0.004 0.000 2.483 28 V HA 0.480 4.601 4.120 0.001 0.000 0.295 28 V C -0.281 175.810 176.094 -0.005 0.000 1.035 28 V CA -0.391 61.891 62.300 -0.030 0.000 0.896 28 V CB 1.918 33.700 31.823 -0.069 0.000 0.986 28 V HN 0.733 nan 8.190 nan 0.000 0.447 29 D N 1.931 122.315 120.400 -0.025 0.000 2.596 29 D HA 0.401 5.042 4.640 0.001 0.000 0.262 29 D C 0.187 176.472 176.300 -0.025 0.000 1.210 29 D CA -0.457 53.530 54.000 -0.021 0.000 0.873 29 D CB 2.641 43.421 40.800 -0.034 0.000 1.408 29 D HN 0.483 nan 8.370 nan 0.000 0.441 30 I N -0.902 119.653 120.570 -0.024 0.000 3.956 30 I HA 0.336 4.506 4.170 0.001 0.000 0.333 30 I C -0.242 175.858 176.117 -0.028 0.000 1.302 30 I CA -0.131 61.157 61.300 -0.020 0.000 1.122 30 I CB 0.197 38.191 38.000 -0.009 0.000 1.013 30 I HN -0.045 nan 8.210 nan 0.000 0.405 31 L N 2.668 123.869 121.223 -0.037 0.000 2.280 31 L HA 0.418 4.759 4.340 0.001 0.000 0.287 31 L C -1.650 175.198 176.870 -0.037 0.000 1.023 31 L CA -1.601 53.216 54.840 -0.039 0.000 0.819 31 L CB 1.342 43.370 42.059 -0.051 0.000 1.212 31 L HN -0.192 nan 8.230 nan 0.000 0.420 32 P HA -0.185 nan 4.420 nan 0.000 0.216 32 P C 1.625 178.907 177.300 -0.030 0.000 1.150 32 P CA 1.230 64.313 63.100 -0.028 0.000 0.837 32 P CB 0.278 31.963 31.700 -0.023 0.000 0.786 33 S N -0.128 115.552 115.700 -0.032 0.000 2.370 33 S HA -0.191 4.279 4.470 0.001 0.000 0.226 33 S C 1.837 176.414 174.600 -0.039 0.000 1.033 33 S CA 1.190 59.369 58.200 -0.034 0.000 1.011 33 S CB -1.022 62.156 63.200 -0.036 0.000 0.852 33 S HN 0.174 nan 8.310 nan 0.000 0.457 34 K N 0.777 121.149 120.400 -0.047 0.000 2.057 34 K HA 0.050 4.371 4.320 0.001 0.000 0.206 34 K C 2.233 178.808 176.600 -0.042 0.000 1.050 34 K CA 1.241 57.497 56.287 -0.052 0.000 0.935 34 K CB -0.586 31.876 32.500 -0.064 0.000 0.715 34 K HN 0.290 nan 8.250 nan 0.000 0.439 35 V N 2.479 122.371 119.914 -0.038 0.000 2.295 35 V HA -0.253 3.868 4.120 0.001 0.000 0.246 35 V C 1.694 177.771 176.094 -0.028 0.000 1.049 35 V CA 1.978 64.259 62.300 -0.033 0.000 1.024 35 V CB -0.447 31.356 31.823 -0.033 0.000 0.648 35 V HN 0.279 nan 8.190 nan 0.000 0.447 36 D N -0.175 120.208 120.400 -0.027 0.000 2.144 36 D HA -0.131 4.510 4.640 0.001 0.000 0.200 36 D C 2.209 178.496 176.300 -0.022 0.000 0.978 36 D CA 1.059 55.045 54.000 -0.023 0.000 0.833 36 D CB -0.186 40.601 40.800 -0.022 0.000 0.961 36 D HN 0.446 nan 8.370 nan 0.000 0.470 37 K N 0.425 120.810 120.400 -0.026 0.000 2.002 37 K HA -0.067 4.254 4.320 0.001 0.000 0.209 37 K C 2.388 178.975 176.600 -0.021 0.000 1.048 37 K CA 0.715 56.987 56.287 -0.024 0.000 0.930 37 K CB -0.184 32.297 32.500 -0.031 0.000 0.714 37 K HN 0.131 nan 8.250 nan 0.000 0.438 38 I N 1.890 122.446 120.570 -0.023 0.000 2.163 38 I HA -0.310 3.861 4.170 0.001 0.000 0.243 38 I C 1.789 177.899 176.117 -0.013 0.000 1.085 38 I CA 1.093 62.383 61.300 -0.016 0.000 1.347 38 I CB -0.393 37.596 38.000 -0.018 0.000 1.044 38 I HN 0.189 nan 8.210 nan 0.000 0.408 39 N N 0.959 119.650 118.700 -0.016 0.000 2.519 39 N HA -0.120 4.621 4.740 0.001 0.000 0.186 39 N C 0.823 176.325 175.510 -0.013 0.000 1.062 39 N CA 0.890 53.932 53.050 -0.014 0.000 0.910 39 N CB -0.321 38.156 38.487 -0.016 0.000 0.958 39 N HN 0.443 nan 8.380 nan 0.000 0.445 40 N N -0.347 118.345 118.700 -0.014 0.000 2.234 40 N HA 0.107 4.847 4.740 0.001 0.000 0.227 40 N C 0.540 176.042 175.510 -0.013 0.000 1.151 40 N CA 0.239 53.281 53.050 -0.014 0.000 0.865 40 N CB 0.995 39.473 38.487 -0.014 0.000 1.066 40 N HN 0.153 nan 8.380 nan 0.000 0.515 41 G N 1.270 110.063 108.800 -0.011 0.000 2.160 41 G HA2 -0.258 3.703 3.960 0.001 0.000 0.251 41 G HA3 -0.258 3.703 3.960 0.001 0.000 0.251 41 G C -0.356 174.541 174.900 -0.006 0.000 1.008 41 G CA 0.111 45.205 45.100 -0.010 0.000 0.724 41 G HN 0.307 nan 8.290 nan 0.000 0.514 42 L N 0.896 122.115 121.223 -0.007 0.000 2.346 42 L HA 0.837 5.177 4.340 0.001 0.000 0.276 42 L C 0.399 177.264 176.870 -0.009 0.000 1.006 42 L CA -0.490 54.346 54.840 -0.006 0.000 0.817 42 L CB 2.056 44.108 42.059 -0.011 0.000 1.272 42 L HN 0.295 nan 8.230 nan 0.000 0.421 43 S N 4.957 120.655 115.700 -0.002 0.000 2.489 43 S HA 0.470 4.941 4.470 0.001 0.000 0.277 43 S C -1.803 172.775 174.600 -0.037 0.000 1.230 43 S CA -1.014 57.178 58.200 -0.012 0.000 1.053 43 S CB 0.965 64.173 63.200 0.013 0.000 0.955 43 S HN 0.637 nan 8.310 nan 0.000 0.488 44 P HA 0.148 nan 4.420 nan 0.000 0.229 44 P C -0.282 176.946 177.300 -0.121 0.000 1.160 44 P CA 0.496 63.540 63.100 -0.093 0.000 0.777 44 P CB -0.128 31.502 31.700 -0.117 0.000 0.814 45 I N -5.579 114.916 120.570 -0.125 0.000 2.892 45 I HA 0.401 4.571 4.170 0.001 0.000 0.306 45 I C -0.642 175.469 176.117 -0.009 0.000 1.078 45 I CA -1.551 59.676 61.300 -0.121 0.000 1.032 45 I CB 1.122 38.920 38.000 -0.336 0.000 1.229 45 I HN -0.374 nan 8.210 nan 0.000 0.435 46 Q N 2.575 122.403 119.800 0.046 0.000 2.293 46 Q HA 0.363 4.704 4.340 0.001 0.000 0.263 46 Q C -1.082 174.991 176.000 0.121 0.000 1.002 46 Q CA 0.188 56.033 55.803 0.071 0.000 0.910 46 Q CB 0.660 29.433 28.738 0.058 0.000 1.185 46 Q HN 0.616 nan 8.270 nan 0.000 0.401 47 D N 2.256 122.727 120.400 0.119 0.000 2.484 47 D HA -0.025 4.616 4.640 0.001 0.000 0.206 47 D C 0.074 176.480 176.300 0.176 0.000 1.322 47 D CA -0.110 53.986 54.000 0.161 0.000 0.913 47 D CB 1.149 42.054 40.800 0.176 0.000 1.559 47 D HN 0.663 nan 8.370 nan 0.000 0.565 48 E N 2.417 122.730 120.200 0.189 0.000 2.086 48 E HA -0.248 4.103 4.350 0.001 0.000 0.200 48 E C 0.725 177.445 176.600 0.199 0.000 1.012 48 E CA 1.623 58.121 56.400 0.164 0.000 0.812 48 E CB 0.168 29.949 29.700 0.135 0.000 0.743 48 E HN 0.534 nan 8.360 nan 0.000 0.453 49 Y N 0.243 120.652 120.300 0.181 0.000 2.220 49 Y HA -0.082 4.469 4.550 0.001 0.000 0.291 49 Y C 2.198 178.245 175.900 0.245 0.000 1.129 49 Y CA 0.976 59.225 58.100 0.249 0.000 1.161 49 Y CB -0.095 38.462 38.460 0.163 0.000 0.997 49 Y HN 0.080 nan 8.280 nan 0.000 0.522 50 I N -0.092 120.644 120.570 0.276 0.000 2.226 50 I HA -0.299 3.872 4.170 0.001 0.000 0.245 50 I C 2.031 178.266 176.117 0.197 0.000 1.100 50 I CA 1.596 63.003 61.300 0.178 0.000 1.374 50 I CB -0.397 37.670 38.000 0.110 0.000 1.057 50 I HN 0.271 nan 8.210 nan 0.000 0.413 51 E N -0.004 120.303 120.200 0.178 0.000 2.077 51 E HA -0.282 4.069 4.350 0.001 0.000 0.193 51 E C 2.067 178.759 176.600 0.154 0.000 0.989 51 E CA 1.559 58.039 56.400 0.134 0.000 0.800 51 E CB -0.247 29.520 29.700 0.111 0.000 0.746 51 E HN 0.507 nan 8.360 nan 0.000 0.452 52 Y N -0.136 120.231 120.300 0.112 0.000 2.200 52 Y HA -0.260 4.291 4.550 0.001 0.000 0.290 52 Y C 1.777 177.758 175.900 0.134 0.000 1.137 52 Y CA 1.418 59.569 58.100 0.085 0.000 1.163 52 Y CB -0.197 38.280 38.460 0.029 0.000 0.988 52 Y HN 0.017 nan 8.280 nan 0.000 0.518 53 Y N 0.016 120.327 120.300 0.018 0.000 2.163 53 Y HA -0.219 4.331 4.550 0.001 0.000 0.288 53 Y C 2.407 178.240 175.900 -0.111 0.000 1.136 53 Y CA 1.663 59.730 58.100 -0.055 0.000 1.147 53 Y CB -0.779 37.737 38.460 0.094 0.000 0.987 53 Y HN 0.109 nan 8.280 nan 0.000 0.509 54 L N -0.095 121.189 121.223 0.102 0.000 2.079 54 L HA -0.263 4.077 4.340 0.001 0.000 0.210 54 L C 2.532 179.372 176.870 -0.051 0.000 1.081 54 L CA 1.731 56.587 54.840 0.027 0.000 0.752 54 L CB -0.438 41.642 42.059 0.037 0.000 0.896 54 L HN 0.160 nan 8.230 nan 0.000 0.433 55 K N -0.517 119.824 120.400 -0.098 0.000 2.116 55 K HA -0.050 4.271 4.320 0.001 0.000 0.203 55 K C 1.507 177.972 176.600 -0.225 0.000 1.052 55 K CA 1.428 57.633 56.287 -0.136 0.000 0.952 55 K CB 0.261 32.695 32.500 -0.110 0.000 0.729 55 K HN 0.179 nan 8.250 nan 0.000 0.446 56 S N 0.025 115.473 115.700 -0.419 0.000 2.666 56 S HA 0.219 4.690 4.470 0.001 0.000 0.239 56 S C -0.302 174.067 174.600 -0.385 0.000 1.031 56 S CA -0.420 57.511 58.200 -0.448 0.000 1.015 56 S CB 0.737 63.530 63.200 -0.679 0.000 0.981 56 S HN 0.074 nan 8.310 nan 0.000 0.547 57 K N 1.958 122.150 120.400 -0.347 0.000 2.166 57 K HA 0.379 4.700 4.320 0.001 0.000 0.245 57 K C -0.244 176.279 176.600 -0.130 0.000 0.967 57 K CA -0.395 55.735 56.287 -0.262 0.000 0.863 57 K CB 0.837 33.129 32.500 -0.347 0.000 1.107 57 K HN 0.191 nan 8.250 nan 0.000 0.436 58 Q N 2.239 121.985 119.800 -0.091 0.000 2.381 58 Q HA 0.223 4.564 4.340 0.001 0.000 0.243 58 Q C -0.474 175.515 176.000 -0.017 0.000 1.154 58 Q CA 0.087 55.862 55.803 -0.047 0.000 0.899 58 Q CB 0.107 28.824 28.738 -0.035 0.000 1.396 58 Q HN 0.215 nan 8.270 nan 0.000 0.485 59 L N 0.938 122.157 121.223 -0.006 0.000 2.346 59 L HA 0.416 4.757 4.340 0.001 0.000 0.274 59 L C 0.213 177.093 176.870 0.016 0.000 1.007 59 L CA -0.739 54.114 54.840 0.022 0.000 0.818 59 L CB 1.993 44.077 42.059 0.042 0.000 1.284 59 L HN 0.341 nan 8.230 nan 0.000 0.424 60 S N 4.351 120.065 115.700 0.023 0.000 2.921 60 S HA 0.535 5.006 4.470 0.001 0.000 0.244 60 S C -0.652 173.961 174.600 0.022 0.000 1.291 60 S CA -0.428 57.782 58.200 0.018 0.000 1.010 60 S CB -0.294 62.917 63.200 0.018 0.000 1.255 60 S HN 0.507 nan 8.310 nan 0.000 0.492 61 I N 4.408 124.989 120.570 0.018 0.000 2.656 61 I HA 0.609 4.780 4.170 0.001 0.000 0.292 61 I C -1.438 174.684 176.117 0.008 0.000 1.144 61 I CA -0.659 60.651 61.300 0.018 0.000 1.038 61 I CB 1.897 39.912 38.000 0.026 0.000 1.244 61 I HN 0.609 nan 8.210 nan 0.000 0.420 62 K N 5.976 126.378 120.400 0.005 0.000 2.533 62 K HA 0.903 5.224 4.320 0.001 0.000 0.272 62 K C -1.999 174.595 176.600 -0.009 0.000 0.985 62 K CA -0.861 55.423 56.287 -0.004 0.000 0.876 62 K CB 2.233 34.729 32.500 -0.007 0.000 1.452 62 K HN 0.521 nan 8.250 nan 0.000 0.439 63 A N 0.505 123.315 122.820 -0.017 0.000 2.384 63 A HA 0.802 5.122 4.320 0.001 0.000 0.312 63 A C -0.981 176.582 177.584 -0.035 0.000 1.113 63 A CA -0.610 51.412 52.037 -0.024 0.000 0.779 63 A CB 2.088 21.074 19.000 -0.024 0.000 1.307 63 A HN 0.747 nan 8.150 nan 0.000 0.436 64 T N 0.066 114.591 114.554 -0.048 0.000 2.853 64 T HA 0.479 4.830 4.350 0.001 0.000 0.311 64 T C -0.152 174.506 174.700 -0.070 0.000 1.307 64 T CA -0.453 61.611 62.100 -0.059 0.000 1.019 64 T CB 0.792 69.616 68.868 -0.073 0.000 1.264 64 T HN 0.446 nan 8.240 nan 0.000 0.497 65 L N 1.033 122.217 121.223 -0.065 0.000 2.554 65 L HA 0.348 4.688 4.340 0.001 0.000 0.225 65 L C 0.808 177.628 176.870 -0.084 0.000 1.104 65 L CA 0.106 54.909 54.840 -0.062 0.000 0.866 65 L CB 0.250 42.283 42.059 -0.043 0.000 1.047 65 L HN 0.567 nan 8.230 nan 0.000 0.468 66 D N -0.007 120.335 120.400 -0.097 0.000 2.545 66 D HA 0.022 4.662 4.640 0.001 0.000 0.227 66 D C 1.243 177.419 176.300 -0.208 0.000 1.150 66 D CA 0.228 54.159 54.000 -0.114 0.000 1.046 66 D CB 0.727 41.474 40.800 -0.087 0.000 1.098 66 D HN -0.058 nan 8.370 nan 0.000 0.502 67 S N 2.322 117.875 115.700 -0.246 0.000 2.369 67 S HA -0.237 4.233 4.470 0.001 0.000 0.225 67 S C 1.745 176.001 174.600 -0.573 0.000 1.043 67 S CA 1.293 59.194 58.200 -0.499 0.000 1.074 67 S CB 0.106 63.175 63.200 -0.218 0.000 0.962 67 S HN 0.541 nan 8.310 nan 0.000 0.433 68 K N 1.010 121.287 120.400 -0.206 0.000 2.097 68 K HA -0.032 4.288 4.320 0.001 0.000 0.206 68 K C 2.327 178.875 176.600 -0.087 0.000 1.049 68 K CA 1.184 57.426 56.287 -0.074 0.000 0.933 68 K CB -0.288 32.206 32.500 -0.010 0.000 0.717 68 K HN 0.363 nan 8.250 nan 0.000 0.442 69 A N 1.484 124.235 122.820 -0.116 0.000 1.930 69 A HA -0.047 4.273 4.320 0.001 0.000 0.217 69 A C 2.366 179.896 177.584 -0.089 0.000 1.175 69 A CA 1.635 53.626 52.037 -0.077 0.000 0.627 69 A CB -0.559 18.401 19.000 -0.067 0.000 0.815 69 A HN 0.316 nan 8.150 nan 0.000 0.443 70 A N -1.041 121.665 122.820 -0.190 0.000 1.873 70 A HA -0.014 4.306 4.320 0.001 0.000 0.215 70 A C 2.050 179.608 177.584 -0.044 0.000 1.186 70 A CA 1.503 53.439 52.037 -0.169 0.000 0.616 70 A CB -0.785 18.035 19.000 -0.301 0.000 0.823 70 A HN 0.535 nan 8.150 nan 0.000 0.442 71 Y N 0.229 120.516 120.300 -0.021 0.000 2.352 71 Y HA -0.084 4.466 4.550 0.001 0.000 0.292 71 Y C 2.243 178.116 175.900 -0.046 0.000 1.136 71 Y CA 0.953 59.029 58.100 -0.039 0.000 1.227 71 Y CB -0.584 37.847 38.460 -0.048 0.000 0.991 71 Y HN 0.415 nan 8.280 nan 0.000 0.545 72 K N 0.923 121.389 120.400 0.110 0.000 2.097 72 K HA -0.221 4.100 4.320 0.001 0.000 0.205 72 K C 2.010 178.656 176.600 0.077 0.000 1.050 72 K CA 1.692 58.020 56.287 0.068 0.000 0.938 72 K CB -0.104 32.425 32.500 0.049 0.000 0.718 72 K HN 0.385 nan 8.250 nan 0.000 0.442 73 E N 0.214 120.457 120.200 0.072 0.000 2.285 73 E HA 0.006 4.357 4.350 0.001 0.000 0.194 73 E C -0.180 176.482 176.600 0.103 0.000 0.997 73 E CA 0.137 56.585 56.400 0.081 0.000 0.845 73 E CB 0.101 29.829 29.700 0.047 0.000 0.782 73 E HN 0.391 nan 8.360 nan 0.000 0.491 74 A N 1.079 123.954 122.820 0.092 0.000 2.445 74 A HA 0.030 4.350 4.320 0.001 0.000 0.242 74 A C 0.514 178.159 177.584 0.103 0.000 1.075 74 A CA -0.045 52.044 52.037 0.087 0.000 0.777 74 A CB 0.445 19.497 19.000 0.086 0.000 1.013 74 A HN 0.334 nan 8.150 nan 0.000 0.493 75 E N 0.501 120.769 120.200 0.114 0.000 2.307 75 E HA 0.237 4.587 4.350 0.001 0.000 0.195 75 E C -0.487 176.155 176.600 0.069 0.000 0.975 75 E CA 0.410 56.901 56.400 0.151 0.000 0.878 75 E CB 0.216 29.991 29.700 0.125 0.000 0.845 75 E HN 0.604 nan 8.360 nan 0.000 0.488 76 L N 0.929 122.171 121.223 0.033 0.000 2.445 76 L HA 0.445 4.786 4.340 0.001 0.000 0.262 76 L C -1.149 175.697 176.870 -0.038 0.000 0.974 76 L CA -0.965 53.864 54.840 -0.018 0.000 0.822 76 L CB 2.776 44.840 42.059 0.008 0.000 1.339 76 L HN -0.223 nan 8.230 nan 0.000 0.409 77 V N 3.567 123.418 119.914 -0.106 0.000 2.487 77 V HA 0.494 4.615 4.120 0.001 0.000 0.298 77 V C -0.214 175.784 176.094 -0.160 0.000 1.028 77 V CA -0.356 61.878 62.300 -0.111 0.000 0.860 77 V CB 2.192 33.896 31.823 -0.199 0.000 0.991 77 V HN 0.480 nan 8.190 nan 0.000 0.427 78 I N 5.606 126.112 120.570 -0.107 0.000 2.354 78 I HA 0.476 4.646 4.170 0.001 0.000 0.292 78 I C -0.447 175.630 176.117 -0.067 0.000 0.989 78 I CA -0.386 60.837 61.300 -0.128 0.000 1.188 78 I CB 1.601 39.560 38.000 -0.068 0.000 1.342 78 I HN 0.421 nan 8.210 nan 0.000 0.457 79 I N 6.039 126.567 120.570 -0.070 0.000 2.312 79 I HA 0.398 4.568 4.170 0.001 0.000 0.290 79 I C 0.494 176.621 176.117 0.017 0.000 1.008 79 I CA -0.141 61.145 61.300 -0.023 0.000 1.226 79 I CB 1.513 39.497 38.000 -0.027 0.000 1.371 79 I HN 0.683 nan 8.210 nan 0.000 0.468 80 A N 4.515 127.354 122.820 0.032 0.000 2.795 80 A HA 0.363 4.684 4.320 0.001 0.000 0.282 80 A C 0.432 178.044 177.584 0.047 0.000 0.964 80 A CA -0.440 51.623 52.037 0.044 0.000 1.045 80 A CB -0.133 18.893 19.000 0.043 0.000 1.174 80 A HN 0.683 nan 8.150 nan 0.000 0.493 81 T N -1.923 112.662 114.554 0.050 0.000 2.824 81 T HA 0.615 4.965 4.350 0.001 0.000 0.277 81 T C -2.728 172.003 174.700 0.053 0.000 0.975 81 T CA -1.883 60.245 62.100 0.045 0.000 0.966 81 T CB 0.450 69.366 68.868 0.079 0.000 1.054 81 T HN 0.099 nan 8.240 nan 0.000 0.533 82 P HA 0.242 nan 4.420 nan 0.000 0.269 82 P C -0.225 177.126 177.300 0.086 0.000 1.215 82 P CA -0.248 62.901 63.100 0.081 0.000 0.780 82 P CB 0.243 31.923 31.700 -0.034 0.000 0.898 83 T N -1.697 112.856 114.554 -0.001 0.000 3.296 83 T HA 0.309 4.660 4.350 0.001 0.000 0.333 83 T C -0.293 174.110 174.700 -0.495 0.000 1.280 83 T CA -0.978 60.925 62.100 -0.330 0.000 1.558 83 T CB -0.759 67.713 68.868 -0.661 0.000 0.929 83 T HN 0.092 nan 8.240 nan 0.000 0.596 84 N N 1.869 120.517 118.700 -0.086 0.000 2.525 84 N HA 0.208 4.948 4.740 0.001 0.000 0.271 84 N C -0.704 174.854 175.510 0.080 0.000 1.194 84 N CA -0.452 52.633 53.050 0.058 0.000 0.964 84 N CB 0.664 39.264 38.487 0.188 0.000 1.126 84 N HN 0.647 nan 8.380 nan 0.000 0.452 85 Y N 1.326 121.699 120.300 0.122 0.000 2.316 85 Y HA 0.157 4.708 4.550 0.001 0.000 0.331 85 Y C 0.066 176.078 175.900 0.188 0.000 1.083 85 Y CA -0.381 57.891 58.100 0.287 0.000 1.206 85 Y CB 0.531 39.155 38.460 0.273 0.000 1.195 85 Y HN 0.415 nan 8.280 nan 0.000 0.497 86 N N 3.832 122.278 118.700 -0.424 0.000 2.476 86 N HA 0.102 4.843 4.740 0.001 0.000 0.257 86 N C -0.112 175.124 175.510 -0.456 0.000 0.970 86 N CA -0.035 52.858 53.050 -0.262 0.000 0.938 86 N CB 1.659 40.075 38.487 -0.117 0.000 1.144 86 N HN 0.821 nan 8.380 nan 0.000 0.500 87 S N 3.325 118.936 115.700 -0.149 0.000 2.419 87 S HA -0.059 4.412 4.470 0.001 0.000 0.233 87 S C 1.672 176.264 174.600 -0.014 0.000 1.016 87 S CA 0.950 59.152 58.200 0.003 0.000 0.974 87 S CB 0.144 63.431 63.200 0.145 0.000 0.786 87 S HN 0.619 nan 8.310 nan 0.000 0.492 88 R N 1.210 121.693 120.500 -0.029 0.000 2.066 88 R HA 0.047 4.387 4.340 0.001 0.000 0.232 88 R C 2.228 178.515 176.300 -0.021 0.000 1.131 88 R CA 1.507 57.601 56.100 -0.009 0.000 0.955 88 R CB -0.484 29.814 30.300 -0.004 0.000 0.851 88 R HN 0.571 nan 8.270 nan 0.000 0.432 89 I N -1.593 118.946 120.570 -0.053 0.000 3.684 89 I HA 0.092 4.263 4.170 0.001 0.000 0.304 89 I C 0.123 176.228 176.117 -0.020 0.000 1.278 89 I CA 0.164 61.442 61.300 -0.037 0.000 1.272 89 I CB -0.409 37.574 38.000 -0.028 0.000 1.029 89 I HN 0.286 nan 8.210 nan 0.000 0.458 90 N N 0.971 119.637 118.700 -0.057 0.000 2.727 90 N HA -0.292 4.449 4.740 0.001 0.000 0.249 90 N C -0.957 174.637 175.510 0.141 0.000 1.048 90 N CA 0.447 53.528 53.050 0.051 0.000 0.714 90 N CB -0.583 37.984 38.487 0.134 0.000 0.959 90 N HN 0.692 nan 8.380 nan 0.000 0.544 91 Y N -0.944 119.134 120.300 -0.369 0.000 2.774 91 Y HA 0.391 4.941 4.550 0.001 0.000 0.346 91 Y C -0.987 174.837 175.900 -0.126 0.000 1.222 91 Y CA -0.796 57.215 58.100 -0.147 0.000 1.088 91 Y CB 0.405 38.831 38.460 -0.056 0.000 1.354 91 Y HN -0.037 nan 8.280 nan 0.000 0.455 92 F N 2.316 122.169 119.950 -0.161 0.000 2.506 92 F HA 0.157 4.684 4.527 0.001 0.000 0.351 92 F C 0.544 176.352 175.800 0.013 0.000 1.136 92 F CA -0.417 57.530 58.000 -0.089 0.000 1.298 92 F CB 0.297 39.182 39.000 -0.191 0.000 1.145 92 F HN 0.330 nan 8.300 nan 0.000 0.593 93 D N 1.274 121.771 120.400 0.162 0.000 2.396 93 D HA 0.109 4.750 4.640 0.001 0.000 0.225 93 D C 0.611 176.931 176.300 0.034 0.000 1.121 93 D CA -0.243 53.806 54.000 0.083 0.000 0.853 93 D CB 0.537 41.361 40.800 0.040 0.000 1.043 93 D HN 0.538 nan 8.370 nan 0.000 0.500 94 T N 0.604 115.188 114.554 0.050 0.000 3.206 94 T HA -0.039 4.311 4.350 0.001 0.000 0.253 94 T C 1.493 176.210 174.700 0.029 0.000 1.042 94 T CA -0.062 62.035 62.100 -0.005 0.000 0.931 94 T CB -0.181 68.662 68.868 -0.041 0.000 1.029 94 T HN 0.534 nan 8.240 nan 0.000 0.564 95 Q N 0.855 120.604 119.800 -0.086 0.000 2.124 95 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 95 Q C 1.662 177.560 176.000 -0.170 0.000 0.977 95 Q CA 1.463 57.176 55.803 -0.149 0.000 0.850 95 Q CB -0.694 27.878 28.738 -0.277 0.000 0.901 95 Q HN 0.608 nan 8.270 nan 0.000 0.429 96 H N -0.057 119.049 119.070 0.060 0.000 2.495 96 H HA 0.029 4.586 4.556 0.001 0.000 0.287 96 H C 2.114 177.476 175.328 0.056 0.000 1.033 96 H CA 1.293 57.371 56.048 0.050 0.000 1.307 96 H CB 0.278 30.057 29.762 0.028 0.000 1.401 96 H HN 0.178 nan 8.280 nan 0.000 0.555 97 V N 0.870 120.869 119.914 0.143 0.000 2.379 97 V HA -0.123 3.997 4.120 0.001 0.000 0.243 97 V C 2.181 178.368 176.094 0.156 0.000 1.035 97 V CA 1.181 63.564 62.300 0.139 0.000 1.035 97 V CB -0.173 31.732 31.823 0.137 0.000 0.673 97 V HN 0.323 nan 8.190 nan 0.000 0.457 98 E N -0.127 120.204 120.200 0.219 0.000 2.110 98 E HA -0.228 4.123 4.350 0.001 0.000 0.193 98 E C 2.292 178.983 176.600 0.151 0.000 0.988 98 E CA 1.728 58.273 56.400 0.241 0.000 0.804 98 E CB -0.274 29.611 29.700 0.307 0.000 0.745 98 E HN 0.520 nan 8.360 nan 0.000 0.458 99 T N 0.222 114.846 114.554 0.116 0.000 2.788 99 T HA -0.121 4.230 4.350 0.001 0.000 0.268 99 T C 1.946 176.678 174.700 0.054 0.000 1.044 99 T CA 1.008 63.166 62.100 0.096 0.000 1.139 99 T CB -0.073 68.852 68.868 0.095 0.000 0.867 99 T HN -0.046 nan 8.240 nan 0.000 0.454 100 V N 1.185 121.118 119.914 0.030 0.000 2.358 100 V HA -0.070 4.050 4.120 0.001 0.000 0.246 100 V C 2.473 178.441 176.094 -0.212 0.000 1.047 100 V CA 1.527 63.792 62.300 -0.058 0.000 1.035 100 V CB -0.527 31.262 31.823 -0.058 0.000 0.658 100 V HN 0.520 nan 8.190 nan 0.000 0.452 101 I N 0.007 120.439 120.570 -0.230 0.000 2.163 101 I HA -0.309 3.861 4.170 0.001 0.000 0.243 101 I C 2.589 178.397 176.117 -0.517 0.000 1.085 101 I CA 2.008 63.042 61.300 -0.443 0.000 1.347 101 I CB -0.423 37.211 38.000 -0.610 0.000 1.044 101 I HN 0.274 nan 8.210 nan 0.000 0.408 102 K N 1.218 121.399 120.400 -0.365 0.000 2.032 102 K HA -0.238 4.083 4.320 0.001 0.000 0.209 102 K C 1.972 178.537 176.600 -0.059 0.000 1.048 102 K CA 1.884 58.105 56.287 -0.109 0.000 0.927 102 K CB -0.046 32.560 32.500 0.176 0.000 0.712 102 K HN 0.351 nan 8.250 nan 0.000 0.441 103 E N 0.010 120.191 120.200 -0.031 0.000 2.051 103 E HA -0.182 4.168 4.350 0.001 0.000 0.192 103 E C 2.060 178.658 176.600 -0.002 0.000 0.991 103 E CA 1.562 57.988 56.400 0.042 0.000 0.799 103 E CB -0.087 29.709 29.700 0.159 0.000 0.748 103 E HN 0.107 nan 8.360 nan 0.000 0.449 104 V N 1.738 121.535 119.914 -0.195 0.000 2.295 104 V HA -0.253 3.867 4.120 0.001 0.000 0.246 104 V C 2.358 178.357 176.094 -0.160 0.000 1.049 104 V CA 1.543 63.687 62.300 -0.259 0.000 1.024 104 V CB -0.500 31.041 31.823 -0.470 0.000 0.648 104 V HN 0.257 nan 8.190 nan 0.000 0.447 105 L N 0.936 122.048 121.223 -0.186 0.000 2.131 105 L HA -0.136 4.204 4.340 0.001 0.000 0.210 105 L C 2.629 179.469 176.870 -0.049 0.000 1.092 105 L CA 1.710 56.471 54.840 -0.130 0.000 0.759 105 L CB -0.693 41.273 42.059 -0.157 0.000 0.903 105 L HN 0.566 nan 8.230 nan 0.000 0.435 106 S N -0.538 115.151 115.700 -0.018 0.000 2.481 106 S HA -0.072 4.398 4.470 0.001 0.000 0.231 106 S C 1.428 176.040 174.600 0.019 0.000 0.996 106 S CA 0.866 59.077 58.200 0.017 0.000 0.942 106 S CB -0.177 63.045 63.200 0.038 0.000 0.768 106 S HN 0.365 nan 8.310 nan 0.000 0.520 107 V N -2.723 117.200 119.914 0.015 0.000 3.398 107 V HA 0.502 4.623 4.120 0.001 0.000 0.298 107 V C -0.116 175.981 176.094 0.005 0.000 1.496 107 V CA -0.452 61.864 62.300 0.026 0.000 1.044 107 V CB -0.367 31.488 31.823 0.053 0.000 0.880 107 V HN 0.368 nan 8.190 nan 0.000 0.443 108 N N 1.249 119.924 118.700 -0.043 0.000 2.480 108 N HA 0.302 5.042 4.740 0.001 0.000 0.289 108 N C 0.450 175.877 175.510 -0.139 0.000 1.073 108 N CA 0.677 53.651 53.050 -0.126 0.000 0.885 108 N CB 2.480 40.846 38.487 -0.203 0.000 1.421 108 N HN 0.335 nan 8.380 nan 0.000 0.503 109 S N 1.887 117.541 115.700 -0.076 0.000 2.556 109 S HA 0.045 4.516 4.470 0.001 0.000 0.216 109 S C 0.813 175.432 174.600 0.030 0.000 0.970 109 S CA 0.357 58.553 58.200 -0.008 0.000 0.912 109 S CB -0.355 62.879 63.200 0.057 0.000 0.790 109 S HN 0.813 nan 8.310 nan 0.000 0.504 110 H N -0.256 118.809 119.070 -0.007 0.000 3.067 110 H HA 0.658 5.214 4.556 0.001 0.000 0.241 110 H C 0.753 176.072 175.328 -0.014 0.000 0.961 110 H CA 0.068 56.112 56.048 -0.007 0.000 1.123 110 H CB -0.500 29.262 29.762 -0.000 0.000 1.448 110 H HN 0.364 nan 8.280 nan 0.000 0.457 111 A N 1.637 124.219 122.820 -0.397 0.000 2.498 111 A HA 0.347 4.668 4.320 0.001 0.000 0.239 111 A C 0.155 177.668 177.584 -0.119 0.000 1.068 111 A CA 0.297 52.223 52.037 -0.185 0.000 0.766 111 A CB -0.089 18.757 19.000 -0.258 0.000 1.003 111 A HN 0.483 nan 8.150 nan 0.000 0.497 112 T N 2.564 117.073 114.554 -0.075 0.000 2.882 112 T HA 0.475 4.826 4.350 0.001 0.000 0.287 112 T C -0.320 174.299 174.700 -0.136 0.000 0.992 112 T CA -0.087 61.961 62.100 -0.087 0.000 1.076 112 T CB 0.433 69.267 68.868 -0.055 0.000 0.961 112 T HN 0.352 nan 8.240 nan 0.000 0.490 113 L N 3.854 124.987 121.223 -0.150 0.000 2.275 113 L HA 0.513 4.854 4.340 0.001 0.000 0.288 113 L C -0.100 176.665 176.870 -0.176 0.000 1.046 113 L CA -0.037 54.695 54.840 -0.181 0.000 0.805 113 L CB 0.765 42.706 42.059 -0.196 0.000 1.193 113 L HN 0.567 nan 8.230 nan 0.000 0.426 114 I N 4.588 125.014 120.570 -0.241 0.000 2.354 114 I HA 0.370 4.540 4.170 0.001 0.000 0.286 114 I C -0.277 175.731 176.117 -0.182 0.000 1.007 114 I CA -0.373 60.750 61.300 -0.295 0.000 1.167 114 I CB 1.136 38.725 38.000 -0.686 0.000 1.320 114 I HN 0.423 nan 8.210 nan 0.000 0.458 115 I N 6.926 127.485 120.570 -0.017 0.000 2.352 115 I HA 0.188 4.359 4.170 0.001 0.000 0.290 115 I C 1.113 177.299 176.117 0.115 0.000 1.036 115 I CA -0.298 61.070 61.300 0.113 0.000 1.336 115 I CB 0.986 39.162 38.000 0.292 0.000 1.407 115 I HN 0.587 nan 8.210 nan 0.000 0.497 116 K N 2.962 123.394 120.400 0.053 0.000 2.335 116 K HA 0.168 4.488 4.320 0.001 0.000 0.195 116 K C 0.526 177.193 176.600 0.112 0.000 1.058 116 K CA 0.194 56.481 56.287 0.000 0.000 0.988 116 K CB 0.387 32.879 32.500 -0.015 0.000 0.880 116 K HN 0.514 nan 8.250 nan 0.000 0.513 117 S N 1.961 117.744 115.700 0.138 0.000 2.552 117 S HA 0.026 4.497 4.470 0.001 0.000 0.289 117 S C 0.144 174.853 174.600 0.183 0.000 1.304 117 S CA 0.258 58.522 58.200 0.106 0.000 1.063 117 S CB 0.614 63.841 63.200 0.044 0.000 0.848 117 S HN 0.127 nan 8.310 nan 0.000 0.499 118 T N 4.408 119.018 114.554 0.095 0.000 2.853 118 T HA 0.334 4.684 4.350 0.001 0.000 0.298 118 T C 0.467 175.193 174.700 0.043 0.000 0.978 118 T CA 0.062 62.237 62.100 0.126 0.000 1.152 118 T CB -0.568 68.355 68.868 0.092 0.000 0.914 118 T HN 0.530 nan 8.240 nan 0.000 0.539 119 I N 1.389 121.912 120.570 -0.080 0.000 3.108 119 I HA 0.698 4.869 4.170 0.001 0.000 0.312 119 I C -2.985 173.028 176.117 -0.174 0.000 1.095 119 I CA -3.675 57.530 61.300 -0.158 0.000 1.000 119 I CB 1.728 39.476 38.000 -0.420 0.000 1.229 119 I HN 0.261 nan 8.210 nan 0.000 0.454 120 P HA 0.278 nan 4.420 nan 0.000 0.272 120 P C -0.621 176.611 177.300 -0.113 0.000 1.223 120 P CA -0.028 62.907 63.100 -0.276 0.000 0.784 120 P CB 0.504 32.088 31.700 -0.194 0.000 0.923 121 I N 1.513 122.016 120.570 -0.113 0.000 2.533 121 I HA 0.200 4.371 4.170 0.001 0.000 0.284 121 I C 1.549 177.691 176.117 0.042 0.000 1.109 121 I CA 0.922 62.199 61.300 -0.037 0.000 1.412 121 I CB -0.402 37.581 38.000 -0.029 0.000 1.396 121 I HN 0.714 nan 8.210 nan 0.000 0.543 122 G N 4.856 113.692 108.800 0.060 0.000 2.176 122 G HA2 -0.328 3.633 3.960 0.001 0.000 0.232 122 G HA3 -0.328 3.633 3.960 0.001 0.000 0.232 122 G C 0.604 175.580 174.900 0.127 0.000 0.986 122 G CA 0.152 45.301 45.100 0.081 0.000 0.643 122 G HN 0.603 nan 8.290 nan 0.000 0.522 123 F N 1.539 121.481 119.950 -0.014 0.000 2.146 123 F HA 0.139 4.667 4.527 0.001 0.000 0.298 123 F C 2.470 178.278 175.800 0.013 0.000 1.096 123 F CA 1.805 59.812 58.000 0.010 0.000 1.275 123 F CB -0.114 38.878 39.000 -0.012 0.000 1.008 123 F HN 0.160 nan 8.300 nan 0.000 0.480 124 I N 0.090 120.679 120.570 0.032 0.000 2.163 124 I HA -0.309 3.861 4.170 0.001 0.000 0.243 124 I C 2.311 178.374 176.117 -0.089 0.000 1.085 124 I CA 1.875 63.147 61.300 -0.047 0.000 1.347 124 I CB -1.787 36.244 38.000 0.051 0.000 1.044 124 I HN 0.158 nan 8.210 nan 0.000 0.408 125 T N 0.437 114.968 114.554 -0.038 0.000 2.746 125 T HA -0.188 4.162 4.350 0.001 0.000 0.267 125 T C 1.808 176.467 174.700 -0.067 0.000 1.039 125 T CA 1.397 63.477 62.100 -0.033 0.000 1.142 125 T CB -0.182 68.683 68.868 -0.004 0.000 0.866 125 T HN 0.401 nan 8.240 nan 0.000 0.444 126 E N 0.348 120.489 120.200 -0.099 0.000 2.072 126 E HA -0.054 4.297 4.350 0.001 0.000 0.191 126 E C 2.241 178.729 176.600 -0.185 0.000 0.985 126 E CA 0.874 57.200 56.400 -0.122 0.000 0.801 126 E CB -0.083 29.566 29.700 -0.086 0.000 0.750 126 E HN 0.298 nan 8.360 nan 0.000 0.452 127 M N 0.174 119.583 119.600 -0.318 0.000 2.175 127 M HA -0.080 4.401 4.480 0.001 0.000 0.264 127 M C 2.005 178.313 176.300 0.012 0.000 1.063 127 M CA 1.399 56.580 55.300 -0.199 0.000 1.119 127 M CB -0.652 31.709 32.600 -0.400 0.000 1.377 127 M HN 0.033 nan 8.290 nan 0.000 0.415 128 R N -0.177 120.297 120.500 -0.043 0.000 2.115 128 R HA -0.122 4.219 4.340 0.001 0.000 0.230 128 R C 2.172 178.474 176.300 0.004 0.000 1.111 128 R CA 1.074 57.176 56.100 0.002 0.000 0.976 128 R CB -0.142 30.149 30.300 -0.015 0.000 0.870 128 R HN 0.576 nan 8.270 nan 0.000 0.445 129 Q N 0.175 119.956 119.800 -0.033 0.000 2.137 129 Q HA -0.086 4.255 4.340 0.001 0.000 0.198 129 Q C 1.954 177.907 176.000 -0.079 0.000 0.960 129 Q CA 0.829 56.605 55.803 -0.045 0.000 0.847 129 Q CB 0.029 28.735 28.738 -0.053 0.000 0.915 129 Q HN 0.213 nan 8.270 nan 0.000 0.448 130 K N 0.481 120.804 120.400 -0.128 0.000 2.057 130 K HA -0.107 4.213 4.320 0.001 0.000 0.206 130 K C 1.107 177.470 176.600 -0.396 0.000 1.050 130 K CA 1.159 57.273 56.287 -0.288 0.000 0.935 130 K CB 0.090 32.351 32.500 -0.399 0.000 0.715 130 K HN 0.077 nan 8.250 nan 0.000 0.439 131 F N 1.291 121.195 119.950 -0.076 0.000 2.727 131 F HA 0.190 4.717 4.527 0.001 0.000 0.302 131 F C -0.080 175.690 175.800 -0.050 0.000 1.097 131 F CA -0.006 57.958 58.000 -0.061 0.000 1.330 131 F CB 0.217 39.174 39.000 -0.071 0.000 1.084 131 F HN 0.050 nan 8.300 nan 0.000 0.578 132 Q N 1.074 120.916 119.800 0.070 0.000 2.443 132 Q HA -0.225 4.115 4.340 0.001 0.000 0.337 132 Q C 0.096 176.124 176.000 0.047 0.000 1.401 132 Q CA 0.950 56.774 55.803 0.036 0.000 0.943 132 Q CB -1.721 27.024 28.738 0.012 0.000 1.177 132 Q HN 0.350 nan 8.270 nan 0.000 0.394 133 T N -1.439 113.144 114.554 0.048 0.000 2.769 133 T HA 0.387 4.737 4.350 0.001 0.000 0.306 133 T C -0.829 173.878 174.700 0.011 0.000 1.400 133 T CA -0.093 62.023 62.100 0.026 0.000 1.007 133 T CB 1.428 70.308 68.868 0.020 0.000 1.392 133 T HN 0.264 nan 8.240 nan 0.000 0.500 134 D N 0.541 120.942 120.400 0.001 0.000 2.431 134 D HA 0.150 4.791 4.640 0.001 0.000 0.213 134 D C 0.956 177.249 176.300 -0.012 0.000 1.130 134 D CA -0.266 53.733 54.000 -0.002 0.000 0.834 134 D CB -0.028 40.774 40.800 0.004 0.000 0.985 134 D HN 0.431 nan 8.370 nan 0.000 0.504 135 R N 0.593 121.078 120.500 -0.025 0.000 2.535 135 R HA 0.309 4.650 4.340 0.001 0.000 0.233 135 R C -0.049 176.210 176.300 -0.068 0.000 1.202 135 R CA 0.190 56.263 56.100 -0.045 0.000 1.205 135 R CB -0.248 30.018 30.300 -0.056 0.000 1.153 135 R HN 0.253 nan 8.270 nan 0.000 0.512 136 I N 1.738 122.278 120.570 -0.051 0.000 2.447 136 I HA 0.380 4.551 4.170 0.001 0.000 0.287 136 I C -0.098 176.016 176.117 -0.006 0.000 1.023 136 I CA -0.997 60.272 61.300 -0.053 0.000 1.083 136 I CB 1.538 39.497 38.000 -0.068 0.000 1.245 136 I HN 0.011 nan 8.210 nan 0.000 0.434 137 I N 1.685 122.257 120.570 0.004 0.000 3.145 137 I HA 0.653 4.823 4.170 0.001 0.000 0.313 137 I C -1.656 174.544 176.117 0.138 0.000 1.122 137 I CA -0.878 60.458 61.300 0.061 0.000 0.987 137 I CB 2.653 40.667 38.000 0.025 0.000 1.236 137 I HN 0.357 nan 8.210 nan 0.000 0.453 138 F N 2.520 122.475 119.950 0.008 0.000 2.508 138 F HA 0.736 5.264 4.527 0.001 0.000 0.325 138 F C -0.540 175.277 175.800 0.028 0.000 1.090 138 F CA -0.667 57.346 58.000 0.021 0.000 0.945 138 F CB 2.016 41.053 39.000 0.061 0.000 1.156 138 F HN 0.616 nan 8.300 nan 0.000 0.463 139 S N 6.746 121.987 115.700 -0.766 0.000 2.721 139 S HA 0.510 4.980 4.470 0.001 0.000 0.264 139 S C -3.216 170.760 174.600 -1.040 0.000 1.161 139 S CA -1.423 56.418 58.200 -0.599 0.000 1.113 139 S CB 1.393 64.547 63.200 -0.077 0.000 1.079 139 S HN 0.437 nan 8.310 nan 0.000 0.479 140 P HA 0.189 nan 4.420 nan 0.000 0.268 140 P C -0.428 176.352 177.300 -0.868 0.000 1.208 140 P CA 0.069 62.544 63.100 -1.041 0.000 0.777 140 P CB 0.543 31.864 31.700 -0.633 0.000 0.875 141 E N 0.812 120.603 120.200 -0.682 0.000 2.171 141 E HA 0.382 4.733 4.350 0.001 0.000 0.271 141 E C -1.012 175.234 176.600 -0.590 0.000 0.916 141 E CA -0.468 55.621 56.400 -0.518 0.000 0.774 141 E CB 0.393 29.980 29.700 -0.190 0.000 1.128 141 E HN 0.238 nan 8.360 nan 0.000 0.403 142 F N 3.249 123.203 119.950 0.006 0.000 2.706 142 F HA 0.238 4.766 4.527 0.001 0.000 0.313 142 F C 0.137 175.947 175.800 0.016 0.000 1.096 142 F CA -0.621 57.385 58.000 0.011 0.000 1.219 142 F CB -0.318 38.679 39.000 -0.006 0.000 1.051 142 F HN 0.375 nan 8.300 nan 0.000 0.568 143 L N 0.069 121.371 121.223 0.130 0.000 2.483 143 L HA 0.327 4.667 4.340 0.001 0.000 0.275 143 L C 0.105 177.030 176.870 0.092 0.000 1.220 143 L CA -0.407 54.496 54.840 0.106 0.000 0.833 143 L CB 0.311 42.415 42.059 0.074 0.000 1.102 143 L HN 0.012 nan 8.230 nan 0.000 0.490 144 R N 0.856 121.406 120.500 0.083 0.000 2.532 144 R HA 0.402 4.743 4.340 0.001 0.000 0.295 144 R C -0.532 175.767 176.300 -0.001 0.000 0.968 144 R CA -0.715 55.416 56.100 0.052 0.000 0.916 144 R CB 1.200 31.545 30.300 0.075 0.000 1.124 144 R HN 0.698 nan 8.270 nan 0.000 0.463 145 E N 0.870 121.007 120.200 -0.105 0.000 2.415 145 E HA -0.082 4.269 4.350 0.001 0.000 0.262 145 E C 0.280 176.833 176.600 -0.079 0.000 1.038 145 E CA 0.942 57.196 56.400 -0.243 0.000 0.921 145 E CB 0.595 29.966 29.700 -0.549 0.000 0.950 145 E HN 0.838 nan 8.360 nan 0.000 0.438 146 S N 1.676 117.375 115.700 -0.001 0.000 2.596 146 S HA -0.250 4.221 4.470 0.001 0.000 0.260 146 S C 0.358 174.999 174.600 0.068 0.000 1.282 146 S CA 1.541 59.771 58.200 0.051 0.000 1.357 146 S CB -1.086 62.123 63.200 0.015 0.000 1.674 146 S HN 0.641 nan 8.310 nan 0.000 0.641 147 K N 0.367 120.809 120.400 0.071 0.000 2.895 147 K HA 0.642 4.963 4.320 0.001 0.000 0.200 147 K C 1.545 178.221 176.600 0.127 0.000 1.133 147 K CA 0.310 56.654 56.287 0.094 0.000 1.060 147 K CB 0.620 33.153 32.500 0.056 0.000 0.735 147 K HN 0.371 nan 8.250 nan 0.000 0.451 148 A N 0.969 123.865 122.820 0.126 0.000 1.873 148 A HA -0.191 4.130 4.320 0.001 0.000 0.218 148 A C 1.897 179.521 177.584 0.065 0.000 1.193 148 A CA 1.593 53.702 52.037 0.120 0.000 0.629 148 A CB -0.181 18.933 19.000 0.190 0.000 0.826 148 A HN 0.323 nan 8.150 nan 0.000 0.447 149 L N -2.277 118.973 121.223 0.046 0.000 2.162 149 L HA 0.061 4.402 4.340 0.001 0.000 0.205 149 L C 2.222 179.000 176.870 -0.153 0.000 1.086 149 L CA 1.893 56.695 54.840 -0.063 0.000 0.778 149 L CB -1.014 40.994 42.059 -0.084 0.000 0.928 149 L HN 0.495 nan 8.230 nan 0.000 0.446 150 Y N 0.759 120.874 120.300 -0.307 0.000 2.114 150 Y HA -0.316 4.234 4.550 0.001 0.000 0.282 150 Y C 2.055 177.878 175.900 -0.128 0.000 1.165 150 Y CA 2.330 60.167 58.100 -0.439 0.000 1.148 150 Y CB -0.316 37.851 38.460 -0.487 0.000 0.972 150 Y HN 0.304 nan 8.280 nan 0.000 0.504 151 D N -0.325 120.112 120.400 0.062 0.000 2.310 151 D HA -0.140 4.501 4.640 0.001 0.000 0.212 151 D C 1.312 177.569 176.300 -0.071 0.000 0.965 151 D CA 0.889 54.911 54.000 0.038 0.000 0.879 151 D CB -0.232 40.641 40.800 0.121 0.000 0.921 151 D HN 0.467 nan 8.370 nan 0.000 0.510 152 N N -0.264 118.358 118.700 -0.130 0.000 2.325 152 N HA 0.098 4.839 4.740 0.001 0.000 0.182 152 N C 1.692 177.037 175.510 -0.275 0.000 1.088 152 N CA -0.017 52.941 53.050 -0.155 0.000 0.879 152 N CB 0.688 39.106 38.487 -0.114 0.000 0.983 152 N HN 0.240 nan 8.380 nan 0.000 0.471 153 L N -0.722 120.245 121.223 -0.427 0.000 2.209 153 L HA 0.032 4.372 4.340 0.001 0.000 0.207 153 L C -0.037 176.199 176.870 -1.056 0.000 1.094 153 L CA 0.827 55.241 54.840 -0.711 0.000 0.790 153 L CB 0.052 41.619 42.059 -0.820 0.000 0.932 153 L HN 0.060 nan 8.230 nan 0.000 0.447 154 Y N 0.029 120.081 120.300 -0.414 0.000 2.562 154 Y HA 0.307 4.858 4.550 0.001 0.000 0.363 154 Y C -2.233 173.538 175.900 -0.216 0.000 0.991 154 Y CA -2.920 54.974 58.100 -0.345 0.000 1.121 154 Y CB -0.138 37.999 38.460 -0.538 0.000 1.159 154 Y HN -0.042 nan 8.280 nan 0.000 0.651 155 P HA 0.094 nan 4.420 nan 0.000 0.275 155 P C 0.710 177.998 177.300 -0.020 0.000 1.228 155 P CA 0.065 63.148 63.100 -0.028 0.000 0.786 155 P CB 2.170 33.850 31.700 -0.034 0.000 0.927 156 S N 2.678 118.363 115.700 -0.025 0.000 2.368 156 S HA -0.090 4.381 4.470 0.001 0.000 0.225 156 S C 1.006 175.552 174.600 -0.090 0.000 1.030 156 S CA 0.487 58.637 58.200 -0.083 0.000 0.999 156 S CB -0.395 62.708 63.200 -0.162 0.000 0.844 156 S HN 0.722 nan 8.310 nan 0.000 0.459 157 R N 0.127 120.591 120.500 -0.060 0.000 2.741 157 R HA 0.566 4.907 4.340 0.001 0.000 0.276 157 R C -2.195 174.149 176.300 0.073 0.000 1.028 157 R CA -0.868 55.216 56.100 -0.027 0.000 0.865 157 R CB 0.109 30.365 30.300 -0.073 0.000 1.268 157 R HN 0.305 nan 8.270 nan 0.000 0.475 158 I N 1.525 122.126 120.570 0.051 0.000 2.465 158 I HA 0.523 4.694 4.170 0.001 0.000 0.291 158 I C -0.346 175.812 176.117 0.068 0.000 1.014 158 I CA -0.919 60.413 61.300 0.053 0.000 1.093 158 I CB 1.943 39.921 38.000 -0.036 0.000 1.267 158 I HN 0.396 nan 8.210 nan 0.000 0.431 159 I N 6.530 127.152 120.570 0.087 0.000 2.533 159 I HA 0.548 4.718 4.170 0.001 0.000 0.290 159 I C -1.064 175.066 176.117 0.021 0.000 1.056 159 I CA -0.838 60.506 61.300 0.073 0.000 1.057 159 I CB 2.339 40.423 38.000 0.141 0.000 1.240 159 I HN 0.141 nan 8.210 nan 0.000 0.423 160 V N 3.900 123.842 119.914 0.046 0.000 2.760 160 V HA 0.402 4.523 4.120 0.001 0.000 0.309 160 V C -0.011 176.126 176.094 0.071 0.000 1.077 160 V CA -0.675 61.663 62.300 0.062 0.000 0.910 160 V CB 2.271 34.173 31.823 0.131 0.000 1.008 160 V HN 0.870 nan 8.190 nan 0.000 0.424 161 S N 2.550 118.300 115.700 0.085 0.000 2.632 161 S HA 0.746 5.217 4.470 0.001 0.000 0.271 161 S C -0.386 174.261 174.600 0.079 0.000 1.260 161 S CA -0.493 57.770 58.200 0.106 0.000 1.010 161 S CB 1.583 64.882 63.200 0.164 0.000 0.965 161 S HN 1.411 nan 8.310 nan 0.000 0.534 162 C N 2.136 121.477 119.300 0.068 0.000 3.113 162 C HA 0.649 5.110 4.460 0.001 0.000 0.376 162 C C -1.744 173.273 174.990 0.046 0.000 1.077 162 C CA -0.448 58.600 59.018 0.051 0.000 1.253 162 C CB 0.904 28.671 27.740 0.045 0.000 1.637 162 C HN 0.995 nan 8.230 nan 0.000 0.535 163 E N 2.874 123.095 120.200 0.036 0.000 2.202 163 E HA 0.314 4.665 4.350 0.001 0.000 0.272 163 E C 0.792 177.406 176.600 0.024 0.000 0.951 163 E CA -0.506 55.913 56.400 0.031 0.000 0.813 163 E CB 1.558 31.274 29.700 0.027 0.000 1.151 163 E HN 0.791 nan 8.360 nan 0.000 0.398 164 E N 1.283 121.495 120.200 0.021 0.000 2.114 164 E HA -0.218 4.132 4.350 0.001 0.000 0.199 164 E C 0.428 177.036 176.600 0.014 0.000 1.008 164 E CA 1.181 57.591 56.400 0.017 0.000 0.810 164 E CB -0.035 29.674 29.700 0.014 0.000 0.739 164 E HN 0.411 nan 8.360 nan 0.000 0.456 165 N N 1.095 119.803 118.700 0.013 0.000 2.327 165 N HA 0.007 4.747 4.740 0.001 0.000 0.231 165 N C -0.759 174.758 175.510 0.012 0.000 1.130 165 N CA -0.509 52.548 53.050 0.011 0.000 0.845 165 N CB 0.418 38.911 38.487 0.009 0.000 1.073 165 N HN 0.059 nan 8.380 nan 0.000 0.496 166 D N 0.745 121.153 120.400 0.014 0.000 2.344 166 D HA 0.013 4.654 4.640 0.001 0.000 0.244 166 D C 0.539 176.847 176.300 0.013 0.000 1.134 166 D CA 0.060 54.068 54.000 0.014 0.000 0.930 166 D CB 0.927 41.737 40.800 0.017 0.000 1.175 166 D HN 0.166 nan 8.370 nan 0.000 0.437 167 S N 0.837 116.544 115.700 0.012 0.000 2.573 167 S HA 0.109 4.580 4.470 0.001 0.000 0.277 167 S C -1.830 172.779 174.600 0.015 0.000 1.346 167 S CA -0.899 57.309 58.200 0.013 0.000 1.034 167 S CB 1.116 64.324 63.200 0.013 0.000 0.879 167 S HN 0.164 nan 8.310 nan 0.000 0.528 168 P HA -0.129 nan 4.420 nan 0.000 0.217 168 P C 1.422 178.734 177.300 0.019 0.000 1.148 168 P CA 1.274 64.383 63.100 0.016 0.000 0.828 168 P CB 0.059 31.768 31.700 0.013 0.000 0.783 169 K N -0.091 120.321 120.400 0.020 0.000 2.025 169 K HA -0.081 4.240 4.320 0.001 0.000 0.207 169 K C 1.784 178.398 176.600 0.025 0.000 1.049 169 K CA 1.510 57.812 56.287 0.025 0.000 0.933 169 K CB -1.243 31.274 32.500 0.029 0.000 0.714 169 K HN -0.118 nan 8.250 nan 0.000 0.438 170 V N 1.581 121.507 119.914 0.019 0.000 2.343 170 V HA -0.226 3.894 4.120 0.001 0.000 0.247 170 V C 2.182 178.289 176.094 0.023 0.000 1.051 170 V CA 2.010 64.319 62.300 0.015 0.000 1.036 170 V CB -0.444 31.384 31.823 0.009 0.000 0.654 170 V HN 0.348 nan 8.190 nan 0.000 0.451 171 K N 0.309 120.723 120.400 0.024 0.000 2.057 171 K HA -0.115 4.205 4.320 0.001 0.000 0.207 171 K C 2.325 178.944 176.600 0.033 0.000 1.049 171 K CA 1.482 57.786 56.287 0.028 0.000 0.931 171 K CB -0.415 32.099 32.500 0.023 0.000 0.714 171 K HN 0.470 nan 8.250 nan 0.000 0.440 172 A N 1.883 124.721 122.820 0.030 0.000 1.933 172 A HA -0.195 4.126 4.320 0.001 0.000 0.218 172 A C 1.621 179.233 177.584 0.046 0.000 1.175 172 A CA 1.826 53.883 52.037 0.033 0.000 0.628 172 A CB -0.362 18.655 19.000 0.028 0.000 0.814 172 A HN 0.165 nan 8.150 nan 0.000 0.444 173 D N 0.042 120.470 120.400 0.047 0.000 2.117 173 D HA -0.016 4.624 4.640 0.001 0.000 0.198 173 D C 2.256 178.611 176.300 0.092 0.000 0.982 173 D CA 1.410 55.448 54.000 0.062 0.000 0.828 173 D CB -0.419 40.404 40.800 0.039 0.000 0.967 173 D HN 0.401 nan 8.370 nan 0.000 0.464 174 A N 0.930 123.794 122.820 0.072 0.000 1.908 174 A HA -0.242 4.078 4.320 0.001 0.000 0.218 174 A C 2.127 179.783 177.584 0.120 0.000 1.181 174 A CA 1.951 54.046 52.037 0.097 0.000 0.627 174 A CB -0.603 18.436 19.000 0.065 0.000 0.818 174 A HN 0.311 nan 8.150 nan 0.000 0.445 175 E N -0.126 120.121 120.200 0.078 0.000 2.047 175 E HA -0.204 4.146 4.350 0.001 0.000 0.191 175 E C 1.974 178.607 176.600 0.055 0.000 0.987 175 E CA 1.335 57.768 56.400 0.056 0.000 0.799 175 E CB -0.142 29.580 29.700 0.036 0.000 0.752 175 E HN 0.605 nan 8.360 nan 0.000 0.449 176 K N -0.218 120.224 120.400 0.070 0.000 2.063 176 K HA -0.171 4.149 4.320 0.001 0.000 0.208 176 K C 2.045 178.692 176.600 0.079 0.000 1.048 176 K CA 1.451 57.776 56.287 0.063 0.000 0.928 176 K CB -0.317 32.227 32.500 0.073 0.000 0.713 176 K HN 0.161 nan 8.250 nan 0.000 0.442 177 F N 1.588 121.531 119.950 -0.011 0.000 2.146 177 F HA -0.149 4.379 4.527 0.001 0.000 0.298 177 F C 2.176 177.961 175.800 -0.026 0.000 1.096 177 F CA 1.253 59.242 58.000 -0.019 0.000 1.275 177 F CB -0.446 38.539 39.000 -0.024 0.000 1.008 177 F HN -0.033 nan 8.300 nan 0.000 0.480 178 A N 0.607 123.382 122.820 -0.074 0.000 1.940 178 A HA -0.154 4.166 4.320 0.001 0.000 0.219 178 A C 2.262 179.730 177.584 -0.194 0.000 1.176 178 A CA 1.908 53.847 52.037 -0.162 0.000 0.631 178 A CB -1.195 17.790 19.000 -0.026 0.000 0.814 178 A HN 0.495 nan 8.150 nan 0.000 0.446 179 L N -0.850 120.300 121.223 -0.122 0.000 2.313 179 L HA -0.026 4.314 4.340 0.001 0.000 0.214 179 L C 2.347 179.134 176.870 -0.138 0.000 1.119 179 L CA 0.301 55.078 54.840 -0.105 0.000 0.809 179 L CB -0.436 41.592 42.059 -0.052 0.000 0.933 179 L HN 0.356 nan 8.230 nan 0.000 0.449 180 L N -0.361 120.749 121.223 -0.188 0.000 2.056 180 L HA -0.189 4.152 4.340 0.001 0.000 0.207 180 L C 2.481 179.201 176.870 -0.250 0.000 1.078 180 L CA 1.146 55.876 54.840 -0.183 0.000 0.749 180 L CB -0.262 41.695 42.059 -0.170 0.000 0.901 180 L HN 0.288 nan 8.230 nan 0.000 0.433 181 L N -0.272 120.710 121.223 -0.401 0.000 2.056 181 L HA -0.231 4.109 4.340 0.001 0.000 0.207 181 L C 2.660 179.398 176.870 -0.220 0.000 1.078 181 L CA 1.268 55.900 54.840 -0.348 0.000 0.749 181 L CB -0.442 41.352 42.059 -0.441 0.000 0.901 181 L HN 0.257 nan 8.230 nan 0.000 0.433 182 K N 0.354 120.641 120.400 -0.187 0.000 2.026 182 K HA -0.182 4.138 4.320 0.001 0.000 0.208 182 K C 2.329 178.860 176.600 -0.115 0.000 1.048 182 K CA 1.806 58.014 56.287 -0.132 0.000 0.929 182 K CB -0.018 32.420 32.500 -0.102 0.000 0.713 182 K HN 0.321 nan 8.250 nan 0.000 0.439 183 S N -0.024 115.613 115.700 -0.104 0.000 2.423 183 S HA -0.046 4.424 4.470 0.001 0.000 0.231 183 S C 2.029 176.580 174.600 -0.081 0.000 1.014 183 S CA 0.803 58.956 58.200 -0.079 0.000 0.965 183 S CB -0.090 63.074 63.200 -0.060 0.000 0.785 183 S HN 0.376 nan 8.310 nan 0.000 0.495 184 A N 1.454 124.213 122.820 -0.102 0.000 2.123 184 A HA 0.657 4.977 4.320 0.001 0.000 0.214 184 A C 1.311 178.818 177.584 -0.128 0.000 1.152 184 A CA 0.462 52.444 52.037 -0.091 0.000 0.728 184 A CB -0.880 18.063 19.000 -0.095 0.000 0.814 184 A HN 0.794 nan 8.150 nan 0.000 0.464 185 A N -0.156 122.565 122.820 -0.165 0.000 2.386 185 A HA 0.437 4.757 4.320 0.001 0.000 0.248 185 A C 0.878 178.318 177.584 -0.241 0.000 1.082 185 A CA -0.002 51.890 52.037 -0.242 0.000 0.789 185 A CB 0.268 19.136 19.000 -0.220 0.000 1.025 185 A HN 0.376 nan 8.150 nan 0.000 0.490 186 K N 0.161 120.321 120.400 -0.400 0.000 2.354 186 K HA 0.056 4.377 4.320 0.001 0.000 0.194 186 K C 0.531 177.026 176.600 -0.174 0.000 1.038 186 K CA 0.116 56.238 56.287 -0.274 0.000 1.052 186 K CB 0.207 32.522 32.500 -0.308 0.000 0.861 186 K HN 0.652 nan 8.250 nan 0.000 0.535 187 K N 2.459 122.714 120.400 -0.242 0.000 2.298 187 K HA 0.001 4.322 4.320 0.001 0.000 0.280 187 K C 0.869 177.448 176.600 -0.035 0.000 1.032 187 K CA -0.163 56.108 56.287 -0.026 0.000 0.958 187 K CB 0.637 33.132 32.500 -0.009 0.000 0.978 187 K HN 0.055 nan 8.250 nan 0.000 0.472 188 N N 3.292 121.994 118.700 0.003 0.000 2.148 188 N HA -0.157 4.583 4.740 0.001 0.000 0.186 188 N C -0.317 175.182 175.510 -0.019 0.000 1.031 188 N CA 1.173 54.218 53.050 -0.009 0.000 0.848 188 N CB -0.456 38.034 38.487 0.004 0.000 1.005 188 N HN 0.490 nan 8.380 nan 0.000 0.427 189 N N 0.521 119.213 118.700 -0.013 0.000 2.949 189 N HA 0.305 5.046 4.740 0.001 0.000 0.243 189 N C -1.444 174.049 175.510 -0.027 0.000 1.113 189 N CA -0.323 52.714 53.050 -0.020 0.000 0.980 189 N CB 1.535 40.012 38.487 -0.016 0.000 1.256 189 N HN -0.021 nan 8.380 nan 0.000 0.508 190 V N 2.811 122.703 119.914 -0.036 0.000 2.347 190 V HA 0.353 4.473 4.120 0.001 0.000 0.280 190 V C -1.969 174.102 176.094 -0.040 0.000 1.021 190 V CA -1.909 60.365 62.300 -0.043 0.000 0.847 190 V CB 1.178 32.967 31.823 -0.057 0.000 0.990 190 V HN 0.403 nan 8.190 nan 0.000 0.444 191 P HA 0.199 nan 4.420 nan 0.000 0.268 191 P C -0.806 176.479 177.300 -0.027 0.000 1.204 191 P CA 0.035 63.115 63.100 -0.034 0.000 0.768 191 P CB 0.683 32.358 31.700 -0.041 0.000 0.842 192 V N 5.116 125.018 119.914 -0.021 0.000 2.444 192 V HA 0.361 4.481 4.120 0.001 0.000 0.294 192 V C -0.047 176.046 176.094 -0.001 0.000 1.022 192 V CA -0.459 61.834 62.300 -0.013 0.000 0.850 192 V CB 1.288 33.098 31.823 -0.022 0.000 0.992 192 V HN 0.367 nan 8.190 nan 0.000 0.426 193 L N 5.694 126.926 121.223 0.015 0.000 2.341 193 L HA 0.632 4.973 4.340 0.001 0.000 0.278 193 L C -0.961 175.931 176.870 0.036 0.000 1.005 193 L CA -0.690 54.164 54.840 0.023 0.000 0.818 193 L CB 2.113 44.190 42.059 0.029 0.000 1.259 193 L HN 0.375 nan 8.230 nan 0.000 0.418 194 I N 4.933 125.523 120.570 0.033 0.000 2.362 194 I HA 0.524 4.695 4.170 0.001 0.000 0.289 194 I C 0.043 176.188 176.117 0.046 0.000 0.994 194 I CA -0.242 61.084 61.300 0.042 0.000 1.158 194 I CB 1.465 39.485 38.000 0.035 0.000 1.315 194 I HN 0.707 nan 8.210 nan 0.000 0.451 195 M N 3.683 123.320 119.600 0.061 0.000 2.843 195 M HA 0.775 5.256 4.480 0.001 0.000 0.273 195 M C 0.018 176.364 176.300 0.076 0.000 1.286 195 M CA -0.903 54.435 55.300 0.063 0.000 0.807 195 M CB 1.670 34.311 32.600 0.070 0.000 1.684 195 M HN 0.385 nan 8.290 nan 0.000 0.458 196 G N -0.064 108.778 108.800 0.071 0.000 2.614 196 G HA2 0.432 4.393 3.960 0.001 0.000 0.239 196 G HA3 0.432 4.393 3.960 0.001 0.000 0.239 196 G C 0.750 175.716 174.900 0.109 0.000 1.240 196 G CA -0.062 45.083 45.100 0.075 0.000 0.842 196 G HN 0.997 nan 8.290 nan 0.000 0.584 197 A N 1.300 124.187 122.820 0.112 0.000 1.883 197 A HA -0.078 4.243 4.320 0.001 0.000 0.217 197 A C 2.714 180.382 177.584 0.140 0.000 1.186 197 A CA 2.410 54.538 52.037 0.153 0.000 0.624 197 A CB -0.747 18.324 19.000 0.118 0.000 0.822 197 A HN 0.604 nan 8.150 nan 0.000 0.444 198 S N -0.482 115.273 115.700 0.092 0.000 2.382 198 S HA -0.139 4.331 4.470 0.001 0.000 0.228 198 S C 1.896 176.558 174.600 0.104 0.000 1.027 198 S CA 1.638 59.884 58.200 0.077 0.000 0.991 198 S CB -0.278 62.954 63.200 0.054 0.000 0.823 198 S HN 0.659 nan 8.310 nan 0.000 0.469 199 E N 1.545 121.810 120.200 0.109 0.000 2.072 199 E HA 0.009 4.359 4.350 0.001 0.000 0.191 199 E C 2.223 178.930 176.600 0.178 0.000 0.985 199 E CA 1.110 57.581 56.400 0.118 0.000 0.801 199 E CB -0.388 29.364 29.700 0.088 0.000 0.750 199 E HN 0.478 nan 8.360 nan 0.000 0.452 200 A N 0.784 123.739 122.820 0.224 0.000 1.930 200 A HA -0.207 4.113 4.320 0.001 0.000 0.217 200 A C 1.922 179.788 177.584 0.469 0.000 1.175 200 A CA 1.532 53.772 52.037 0.339 0.000 0.627 200 A CB -0.416 18.812 19.000 0.381 0.000 0.815 200 A HN 0.195 nan 8.150 nan 0.000 0.443 201 E N -0.107 120.271 120.200 0.296 0.000 2.110 201 E HA -0.082 4.268 4.350 0.001 0.000 0.193 201 E C 2.273 178.955 176.600 0.137 0.000 0.988 201 E CA 0.943 57.361 56.400 0.031 0.000 0.804 201 E CB -0.280 29.313 29.700 -0.178 0.000 0.745 201 E HN 0.619 nan 8.360 nan 0.000 0.458 202 A N 0.925 123.862 122.820 0.195 0.000 1.898 202 A HA -0.138 4.183 4.320 0.001 0.000 0.216 202 A C 2.504 180.341 177.584 0.421 0.000 1.181 202 A CA 1.055 53.283 52.037 0.320 0.000 0.620 202 A CB -0.697 18.521 19.000 0.363 0.000 0.819 202 A HN 0.114 nan 8.150 nan 0.000 0.442 203 V N 0.484 120.600 119.914 0.338 0.000 2.282 203 V HA -0.309 3.811 4.120 0.001 0.000 0.249 203 V C 2.637 178.955 176.094 0.373 0.000 1.057 203 V CA 2.632 65.127 62.300 0.325 0.000 1.032 203 V CB -0.649 31.353 31.823 0.298 0.000 0.645 203 V HN 0.666 nan 8.190 nan 0.000 0.447 204 K N 0.319 120.958 120.400 0.399 0.000 2.026 204 K HA -0.113 4.207 4.320 0.001 0.000 0.208 204 K C 1.904 178.647 176.600 0.238 0.000 1.048 204 K CA 1.751 58.264 56.287 0.377 0.000 0.929 204 K CB -0.621 32.100 32.500 0.368 0.000 0.713 204 K HN 0.424 nan 8.250 nan 0.000 0.439 205 L N -0.624 120.680 121.223 0.136 0.000 2.093 205 L HA -0.080 4.261 4.340 0.001 0.000 0.208 205 L C 2.136 178.978 176.870 -0.046 0.000 1.085 205 L CA 1.002 55.828 54.840 -0.023 0.000 0.755 205 L CB -0.387 41.558 42.059 -0.190 0.000 0.904 205 L HN 0.092 nan 8.230 nan 0.000 0.435 206 F N -0.027 119.985 119.950 0.104 0.000 2.325 206 F HA -0.098 4.429 4.527 0.001 0.000 0.299 206 F C 2.501 178.367 175.800 0.110 0.000 1.090 206 F CA 0.989 59.053 58.000 0.106 0.000 1.392 206 F CB -0.549 38.510 39.000 0.099 0.000 1.053 206 F HN -0.007 nan 8.300 nan 0.000 0.521 207 A N 0.102 123.084 122.820 0.270 0.000 1.872 207 A HA -0.153 4.167 4.320 0.001 0.000 0.214 207 A C 2.053 179.732 177.584 0.158 0.000 1.187 207 A CA 1.733 53.877 52.037 0.178 0.000 0.614 207 A CB -0.739 18.345 19.000 0.140 0.000 0.826 207 A HN 0.278 nan 8.150 nan 0.000 0.442 208 N N -0.231 118.551 118.700 0.137 0.000 2.223 208 N HA -0.084 4.656 4.740 0.001 0.000 0.185 208 N C 1.630 177.153 175.510 0.022 0.000 1.016 208 N CA 1.818 54.914 53.050 0.077 0.000 0.863 208 N CB -0.598 37.928 38.487 0.065 0.000 0.983 208 N HN 0.462 nan 8.380 nan 0.000 0.429 209 T N -0.471 114.096 114.554 0.022 0.000 2.867 209 T HA -0.122 4.229 4.350 0.001 0.000 0.268 209 T C 1.584 176.287 174.700 0.004 0.000 1.057 209 T CA 0.679 62.757 62.100 -0.037 0.000 1.136 209 T CB -0.305 68.523 68.868 -0.066 0.000 0.874 209 T HN 0.309 nan 8.240 nan 0.000 0.466 210 Y N 1.637 121.943 120.300 0.010 0.000 2.200 210 Y HA 0.009 4.559 4.550 0.001 0.000 0.290 210 Y C 1.910 177.809 175.900 -0.001 0.000 1.137 210 Y CA 1.001 59.111 58.100 0.016 0.000 1.163 210 Y CB -0.385 38.092 38.460 0.028 0.000 0.988 210 Y HN 0.114 nan 8.280 nan 0.000 0.518 211 L N -0.471 120.836 121.223 0.141 0.000 2.083 211 L HA -0.209 4.131 4.340 0.001 0.000 0.209 211 L C 2.740 179.655 176.870 0.076 0.000 1.083 211 L CA 1.151 56.042 54.840 0.086 0.000 0.752 211 L CB -0.942 41.114 42.059 -0.005 0.000 0.899 211 L HN 0.307 nan 8.230 nan 0.000 0.433 212 A N 0.021 122.754 122.820 -0.145 0.000 1.898 212 A HA -0.186 4.134 4.320 0.001 0.000 0.216 212 A C 2.202 179.631 177.584 -0.259 0.000 1.181 212 A CA 1.368 53.114 52.037 -0.485 0.000 0.620 212 A CB -0.620 17.812 19.000 -0.946 0.000 0.819 212 A HN 0.310 nan 8.150 nan 0.000 0.442 213 L N 0.159 121.257 121.223 -0.209 0.000 2.013 213 L HA -0.180 4.160 4.340 0.001 0.000 0.212 213 L C 2.400 179.209 176.870 -0.101 0.000 1.073 213 L CA 2.605 57.341 54.840 -0.174 0.000 0.753 213 L CB -0.719 41.151 42.059 -0.315 0.000 0.890 213 L HN 0.475 nan 8.230 nan 0.000 0.432 214 R N -1.084 119.337 120.500 -0.131 0.000 2.073 214 R HA -0.128 4.213 4.340 0.001 0.000 0.234 214 R C 2.094 178.603 176.300 0.348 0.000 1.134 214 R CA 1.926 58.091 56.100 0.109 0.000 0.952 214 R CB -0.320 30.099 30.300 0.199 0.000 0.850 214 R HN 0.376 nan 8.270 nan 0.000 0.433 215 V N 0.985 121.073 119.914 0.290 0.000 2.343 215 V HA -0.215 3.906 4.120 0.001 0.000 0.247 215 V C 2.473 178.745 176.094 0.296 0.000 1.051 215 V CA 1.895 64.365 62.300 0.284 0.000 1.036 215 V CB -0.724 31.239 31.823 0.235 0.000 0.654 215 V HN 0.550 nan 8.190 nan 0.000 0.451 216 A N -0.994 121.995 122.820 0.281 0.000 1.933 216 A HA -0.278 4.042 4.320 0.001 0.000 0.218 216 A C 2.164 179.848 177.584 0.168 0.000 1.175 216 A CA 2.153 54.344 52.037 0.257 0.000 0.628 216 A CB -0.752 18.407 19.000 0.265 0.000 0.814 216 A HN 0.629 nan 8.150 nan 0.000 0.444 217 Y N -0.793 119.509 120.300 0.004 0.000 2.163 217 Y HA -0.166 4.384 4.550 0.001 0.000 0.288 217 Y C 1.912 177.720 175.900 -0.154 0.000 1.136 217 Y CA 1.809 59.830 58.100 -0.132 0.000 1.147 217 Y CB -0.485 37.808 38.460 -0.279 0.000 0.987 217 Y HN 0.277 nan 8.280 nan 0.000 0.509 218 F N 0.400 120.386 119.950 0.059 0.000 2.269 218 F HA -0.197 4.331 4.527 0.002 0.000 0.301 218 F C 2.100 177.871 175.800 -0.047 0.000 1.082 218 F CA 1.349 59.336 58.000 -0.021 0.000 1.360 218 F CB -0.565 38.478 39.000 0.071 0.000 1.041 218 F HN 0.117 nan 8.300 nan 0.000 0.512 219 N N 0.086 118.870 118.700 0.141 0.000 2.270 219 N HA -0.111 4.629 4.740 0.001 0.000 0.181 219 N C 1.697 177.206 175.510 -0.002 0.000 1.016 219 N CA 0.953 54.061 53.050 0.096 0.000 0.870 219 N CB -0.251 38.314 38.487 0.131 0.000 0.979 219 N HN 0.383 nan 8.380 nan 0.000 0.431 220 E N 0.506 120.654 120.200 -0.087 0.000 2.152 220 E HA -0.074 4.277 4.350 0.001 0.000 0.192 220 E C 1.947 178.434 176.600 -0.189 0.000 0.983 220 E CA 0.215 56.526 56.400 -0.148 0.000 0.818 220 E CB 0.000 29.602 29.700 -0.164 0.000 0.758 220 E HN 0.287 nan 8.360 nan 0.000 0.467 221 L N 1.219 122.267 121.223 -0.292 0.000 2.056 221 L HA -0.191 4.149 4.340 0.001 0.000 0.207 221 L C 2.057 178.909 176.870 -0.030 0.000 1.078 221 L CA 1.670 56.368 54.840 -0.236 0.000 0.749 221 L CB -0.052 41.806 42.059 -0.336 0.000 0.901 221 L HN 0.012 nan 8.230 nan 0.000 0.433 222 D N -0.843 119.554 120.400 -0.004 0.000 2.144 222 D HA -0.179 4.461 4.640 0.001 0.000 0.200 222 D C 1.968 178.280 176.300 0.020 0.000 0.978 222 D CA 1.576 55.603 54.000 0.044 0.000 0.833 222 D CB 0.169 41.013 40.800 0.074 0.000 0.961 222 D HN 0.292 nan 8.370 nan 0.000 0.470 223 T N -0.893 113.616 114.554 -0.074 0.000 2.746 223 T HA -0.187 4.164 4.350 0.001 0.000 0.267 223 T C 1.559 176.119 174.700 -0.233 0.000 1.039 223 T CA 1.248 63.153 62.100 -0.325 0.000 1.142 223 T CB -0.590 67.963 68.868 -0.526 0.000 0.866 223 T HN 0.288 nan 8.240 nan 0.000 0.444 224 Y N 1.970 122.146 120.300 -0.206 0.000 2.145 224 Y HA -0.064 4.486 4.550 0.001 0.000 0.286 224 Y C 2.524 178.384 175.900 -0.067 0.000 1.145 224 Y CA 1.127 59.145 58.100 -0.136 0.000 1.148 224 Y CB -0.700 37.684 38.460 -0.127 0.000 0.981 224 Y HN 0.178 nan 8.280 nan 0.000 0.507 225 A N 0.137 123.019 122.820 0.104 0.000 1.883 225 A HA -0.281 4.040 4.320 0.001 0.000 0.217 225 A C 2.239 179.817 177.584 -0.009 0.000 1.186 225 A CA 2.065 54.139 52.037 0.062 0.000 0.624 225 A CB -0.999 18.055 19.000 0.091 0.000 0.822 225 A HN 0.668 nan 8.150 nan 0.000 0.444 226 E N -0.301 119.916 120.200 0.030 0.000 2.072 226 E HA -0.128 4.222 4.350 0.001 0.000 0.191 226 E C 2.100 178.732 176.600 0.053 0.000 0.985 226 E CA 1.246 57.697 56.400 0.084 0.000 0.801 226 E CB -0.087 29.743 29.700 0.217 0.000 0.750 226 E HN 0.544 nan 8.360 nan 0.000 0.452 227 S N 0.215 115.912 115.700 -0.005 0.000 2.399 227 S HA -0.036 4.435 4.470 0.001 0.000 0.231 227 S C 1.579 176.093 174.600 -0.143 0.000 1.022 227 S CA 0.723 58.897 58.200 -0.042 0.000 0.983 227 S CB -0.003 63.126 63.200 -0.118 0.000 0.803 227 S HN 0.191 nan 8.310 nan 0.000 0.480 228 R N 0.902 121.244 120.500 -0.263 0.000 2.388 228 R HA 0.246 4.586 4.340 0.001 0.000 0.247 228 R C -0.180 176.054 176.300 -0.110 0.000 0.931 228 R CA -0.033 55.920 56.100 -0.245 0.000 1.082 228 R CB -0.301 29.732 30.300 -0.445 0.000 1.135 228 R HN 0.369 nan 8.270 nan 0.000 0.525 229 K N 1.034 121.397 120.400 -0.062 0.000 3.150 229 K HA -0.168 4.153 4.320 0.001 0.000 0.267 229 K C -0.427 176.169 176.600 -0.007 0.000 1.028 229 K CA 0.531 56.807 56.287 -0.019 0.000 0.753 229 K CB -1.525 30.966 32.500 -0.015 0.000 1.288 229 K HN 0.189 nan 8.250 nan 0.000 0.473 230 L N 0.095 121.318 121.223 -0.001 0.000 2.334 230 L HA 0.326 4.666 4.340 0.001 0.000 0.270 230 L C 0.815 177.705 176.870 0.034 0.000 1.018 230 L CA -1.092 53.765 54.840 0.028 0.000 0.811 230 L CB 1.026 43.122 42.059 0.062 0.000 1.271 230 L HN 0.082 nan 8.230 nan 0.000 0.443 231 N N 0.709 119.432 118.700 0.038 0.000 2.415 231 N HA -0.004 4.736 4.740 0.001 0.000 0.250 231 N C 0.677 176.215 175.510 0.047 0.000 1.127 231 N CA 0.306 53.380 53.050 0.039 0.000 0.945 231 N CB 1.287 39.799 38.487 0.042 0.000 1.196 231 N HN 0.606 nan 8.380 nan 0.000 0.499 232 S N 2.642 118.368 115.700 0.043 0.000 2.382 232 S HA -0.184 4.287 4.470 0.001 0.000 0.228 232 S C 1.675 176.306 174.600 0.052 0.000 1.027 232 S CA 1.033 59.263 58.200 0.049 0.000 0.991 232 S CB -0.411 62.807 63.200 0.030 0.000 0.823 232 S HN 0.766 nan 8.310 nan 0.000 0.469 233 H N -0.677 118.352 119.070 -0.070 0.000 2.353 233 H HA -0.075 4.482 4.556 0.001 0.000 0.300 233 H C 2.167 177.507 175.328 0.020 0.000 1.090 233 H CA 1.795 57.784 56.048 -0.098 0.000 1.327 233 H CB -0.195 29.468 29.762 -0.165 0.000 1.383 233 H HN 0.398 nan 8.280 nan 0.000 0.508 234 M N 0.821 120.356 119.600 -0.109 0.000 2.117 234 M HA -0.086 4.394 4.480 0.001 0.000 0.262 234 M C 2.285 178.558 176.300 -0.045 0.000 1.065 234 M CA 1.220 56.452 55.300 -0.113 0.000 1.114 234 M CB -0.401 32.195 32.600 -0.007 0.000 1.361 234 M HN 0.303 nan 8.290 nan 0.000 0.408 235 I N -0.983 119.593 120.570 0.010 0.000 2.202 235 I HA -0.305 3.866 4.170 0.001 0.000 0.242 235 I C 2.163 178.326 176.117 0.077 0.000 1.091 235 I CA 1.204 62.532 61.300 0.048 0.000 1.368 235 I CB -0.432 37.606 38.000 0.063 0.000 1.058 235 I HN 0.225 nan 8.210 nan 0.000 0.410 236 I N 0.307 120.939 120.570 0.104 0.000 2.286 236 I HA -0.316 3.855 4.170 0.001 0.000 0.248 236 I C 2.691 178.870 176.117 0.104 0.000 1.115 236 I CA 1.374 62.795 61.300 0.203 0.000 1.392 236 I CB -0.336 37.830 38.000 0.277 0.000 1.065 236 I HN 0.373 nan 8.210 nan 0.000 0.418 237 Q N 0.989 120.779 119.800 -0.017 0.000 2.079 237 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 237 Q C 2.228 178.185 176.000 -0.072 0.000 0.974 237 Q CA 1.876 57.591 55.803 -0.148 0.000 0.840 237 Q CB -0.273 28.310 28.738 -0.259 0.000 0.898 237 Q HN 0.519 nan 8.270 nan 0.000 0.430 238 G N 1.731 110.564 108.800 0.056 0.000 2.418 238 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 238 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 238 G C 1.441 176.428 174.900 0.145 0.000 1.158 238 G CA 1.060 46.249 45.100 0.148 0.000 0.771 238 G HN 0.616 nan 8.290 nan 0.000 0.545 239 I N -2.147 118.495 120.570 0.120 0.000 2.584 239 I HA 0.099 4.270 4.170 0.001 0.000 0.255 239 I C 2.331 178.525 176.117 0.129 0.000 1.145 239 I CA 1.229 62.609 61.300 0.134 0.000 1.462 239 I CB -0.151 37.942 38.000 0.155 0.000 1.102 239 I HN -0.043 nan 8.210 nan 0.000 0.433 240 S N 0.565 116.309 115.700 0.073 0.000 2.474 240 S HA -0.082 4.389 4.470 0.001 0.000 0.235 240 S C 1.604 176.171 174.600 -0.055 0.000 0.997 240 S CA 0.903 59.091 58.200 -0.020 0.000 0.949 240 S CB -0.504 62.597 63.200 -0.166 0.000 0.766 240 S HN 0.526 nan 8.310 nan 0.000 0.517 241 Y N 1.754 122.081 120.300 0.044 0.000 2.574 241 Y HA 0.062 4.613 4.550 0.001 0.000 0.294 241 Y C 1.021 176.943 175.900 0.037 0.000 1.142 241 Y CA -0.310 57.809 58.100 0.032 0.000 1.314 241 Y CB -0.240 38.235 38.460 0.025 0.000 0.991 241 Y HN 0.136 nan 8.280 nan 0.000 0.555 242 D N 1.017 121.522 120.400 0.176 0.000 2.338 242 D HA -0.040 4.600 4.640 0.001 0.000 0.255 242 D C 0.558 176.923 176.300 0.108 0.000 1.237 242 D CA -0.067 54.006 54.000 0.122 0.000 0.883 242 D CB 0.669 41.528 40.800 0.097 0.000 1.087 242 D HN 0.361 nan 8.370 nan 0.000 0.485 243 D N 3.132 123.591 120.400 0.097 0.000 2.384 243 D HA -0.158 4.483 4.640 0.001 0.000 0.222 243 D C 1.260 177.610 176.300 0.083 0.000 0.976 243 D CA 0.651 54.704 54.000 0.089 0.000 0.915 243 D CB -0.122 40.721 40.800 0.071 0.000 0.896 243 D HN 0.369 nan 8.370 nan 0.000 0.523 244 R N -0.417 120.127 120.500 0.074 0.000 2.240 244 R HA 0.258 4.598 4.340 0.001 0.000 0.203 244 R C 1.823 178.181 176.300 0.097 0.000 1.011 244 R CA 0.443 56.583 56.100 0.067 0.000 1.007 244 R CB 0.170 30.497 30.300 0.045 0.000 0.911 244 R HN 0.315 nan 8.270 nan 0.000 0.468 245 I N -0.914 119.723 120.570 0.112 0.000 2.900 245 I HA 0.199 4.369 4.170 0.001 0.000 0.251 245 I C 0.804 177.007 176.117 0.143 0.000 1.102 245 I CA 0.459 61.842 61.300 0.138 0.000 1.457 245 I CB 0.023 38.107 38.000 0.139 0.000 1.285 245 I HN 0.223 nan 8.210 nan 0.000 0.459 246 G N 1.242 110.109 108.800 0.112 0.000 2.692 246 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 246 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 246 G C -0.256 174.599 174.900 -0.074 0.000 1.243 246 G CA -0.552 44.619 45.100 0.118 0.000 0.782 246 G HN 0.155 nan 8.290 nan 0.000 0.625 247 M N 2.729 122.309 119.600 -0.033 0.000 2.571 247 M HA 0.162 4.643 4.480 0.001 0.000 0.235 247 M C 0.973 177.123 176.300 -0.249 0.000 1.216 247 M CA 0.053 55.218 55.300 -0.224 0.000 0.979 247 M CB -0.271 32.194 32.600 -0.225 0.000 1.616 247 M HN 0.667 nan 8.290 nan 0.000 0.469 248 H N -2.807 116.162 119.070 -0.167 0.000 2.710 248 H HA 0.188 4.745 4.556 0.001 0.000 0.361 248 H C -0.537 174.773 175.328 -0.030 0.000 1.175 248 H CA -1.117 54.868 56.048 -0.106 0.000 1.206 248 H CB 0.286 30.041 29.762 -0.012 0.000 1.750 248 H HN 0.186 nan 8.280 nan 0.000 0.553 249 Y N 1.954 122.178 120.300 -0.126 0.000 2.981 249 Y HA -0.313 4.237 4.550 0.001 0.000 0.204 249 Y C -0.370 175.360 175.900 -0.283 0.000 1.265 249 Y CA 1.278 59.317 58.100 -0.102 0.000 0.941 249 Y CB -1.335 37.179 38.460 0.089 0.000 1.254 249 Y HN 0.864 nan 8.280 nan 0.000 0.469 250 N N -0.299 118.150 118.700 -0.418 0.000 2.471 250 N HA 0.143 4.884 4.740 0.001 0.000 0.270 250 N C -1.072 174.216 175.510 -0.371 0.000 1.490 250 N CA -0.345 52.191 53.050 -0.857 0.000 0.850 250 N CB -0.084 37.550 38.487 -1.422 0.000 1.411 250 N HN 0.333 nan 8.380 nan 0.000 0.488 251 N N 1.843 120.475 118.700 -0.112 0.000 2.426 251 N HA 0.439 5.179 4.740 0.001 0.000 0.257 251 N C -2.598 172.919 175.510 0.011 0.000 1.002 251 N CA -1.479 51.630 53.050 0.100 0.000 0.942 251 N CB 1.205 39.771 38.487 0.131 0.000 1.112 251 N HN 0.053 nan 8.380 nan 0.000 0.499 252 P HA 0.088 nan 4.420 nan 0.000 0.267 252 P C -0.670 176.618 177.300 -0.019 0.000 1.201 252 P CA 0.073 63.197 63.100 0.039 0.000 0.775 252 P CB 0.646 32.369 31.700 0.038 0.000 0.854 253 S N 0.122 115.831 115.700 0.016 0.000 2.757 253 S HA 0.426 4.897 4.470 0.001 0.000 0.285 253 S C -0.100 174.581 174.600 0.135 0.000 1.196 253 S CA -0.563 57.600 58.200 -0.060 0.000 0.856 253 S CB 0.253 63.429 63.200 -0.040 0.000 1.212 253 S HN 0.083 nan 8.310 nan 0.000 0.516 254 F N 1.821 121.810 119.950 0.065 0.000 2.811 254 F HA 0.584 5.112 4.527 0.001 0.000 0.301 254 F C 1.570 177.396 175.800 0.043 0.000 1.151 254 F CA 0.454 58.500 58.000 0.076 0.000 1.412 254 F CB -0.248 38.802 39.000 0.083 0.000 1.113 254 F HN 1.122 nan 8.300 nan 0.000 0.579 255 G N -0.734 108.179 108.800 0.189 0.000 2.333 255 G HA2 0.172 4.132 3.960 0.001 0.000 0.330 255 G HA3 0.172 4.132 3.960 0.001 0.000 0.330 255 G C -1.575 173.358 174.900 0.054 0.000 1.465 255 G CA -1.205 43.929 45.100 0.056 0.000 0.996 255 G HN 0.072 nan 8.290 nan 0.000 0.655 256 Y N 0.087 120.439 120.300 0.086 0.000 2.377 256 Y HA 0.709 5.260 4.550 0.001 0.000 0.330 256 Y C 0.788 176.735 175.900 0.078 0.000 1.108 256 Y CA -0.431 57.712 58.100 0.072 0.000 1.308 256 Y CB 1.088 39.596 38.460 0.080 0.000 1.216 256 Y HN 0.911 nan 8.280 nan 0.000 0.518 257 G N 0.552 109.485 108.800 0.222 0.000 3.217 257 G HA2 0.684 4.644 3.960 0.001 0.000 0.213 257 G HA3 0.684 4.644 3.960 0.001 0.000 0.213 257 G C -0.235 174.775 174.900 0.183 0.000 1.294 257 G CA -0.813 44.388 45.100 0.168 0.000 0.987 257 G HN 1.532 nan 8.290 nan 0.000 0.584 258 G N -2.490 106.402 108.800 0.153 0.000 2.690 258 G HA2 0.026 3.986 3.960 0.001 0.000 0.686 258 G HA3 0.026 3.986 3.960 0.001 0.000 0.686 258 G C 0.287 175.307 174.900 0.200 0.000 1.277 258 G CA 0.474 45.662 45.100 0.146 0.000 0.799 258 G HN 1.540 nan 8.290 nan 0.000 0.613 259 Y N 0.956 121.285 120.300 0.049 0.000 2.224 259 Y HA -0.045 4.505 4.550 0.001 0.000 0.289 259 Y C 2.832 178.773 175.900 0.070 0.000 1.146 259 Y CA 2.870 61.004 58.100 0.055 0.000 1.182 259 Y CB -0.382 38.099 38.460 0.035 0.000 0.983 259 Y HN 0.536 nan 8.280 nan 0.000 0.524 260 S N -0.020 115.658 115.700 -0.037 0.000 2.325 260 S HA -0.090 4.381 4.470 0.001 0.000 0.214 260 S C 1.899 176.495 174.600 -0.005 0.000 1.031 260 S CA 1.113 59.245 58.200 -0.113 0.000 0.972 260 S CB -0.676 62.495 63.200 -0.048 0.000 0.908 260 S HN 0.292 nan 8.310 nan 0.000 0.453 261 L N 2.154 123.418 121.223 0.069 0.000 2.012 261 L HA -0.041 4.300 4.340 0.001 0.000 0.210 261 L C -0.934 176.018 176.870 0.137 0.000 1.073 261 L CA 1.931 56.804 54.840 0.055 0.000 0.748 261 L CB -1.829 40.250 42.059 0.034 0.000 0.891 261 L HN 0.200 nan 8.230 nan 0.000 0.431 262 P HA -0.213 nan 4.420 nan 0.000 0.215 262 P C 1.427 178.772 177.300 0.076 0.000 1.157 262 P CA 1.643 64.889 63.100 0.244 0.000 0.868 262 P CB -0.073 31.733 31.700 0.177 0.000 0.788 263 K N -1.038 119.396 120.400 0.057 0.000 2.116 263 K HA -0.083 4.238 4.320 0.001 0.000 0.203 263 K C 1.293 177.955 176.600 0.104 0.000 1.052 263 K CA 1.539 57.872 56.287 0.077 0.000 0.952 263 K CB -0.744 31.837 32.500 0.136 0.000 0.729 263 K HN -0.024 nan 8.250 nan 0.000 0.446 264 D N 1.572 122.020 120.400 0.080 0.000 2.149 264 D HA -0.114 4.527 4.640 0.001 0.000 0.201 264 D C 2.090 178.322 176.300 -0.113 0.000 0.972 264 D CA 2.048 56.074 54.000 0.044 0.000 0.835 264 D CB -0.366 40.463 40.800 0.049 0.000 0.966 264 D HN 0.524 nan 8.370 nan 0.000 0.476 265 T N -0.726 113.765 114.554 -0.104 0.000 2.746 265 T HA -0.106 4.244 4.350 0.001 0.000 0.267 265 T C 1.883 176.466 174.700 -0.195 0.000 1.039 265 T CA 0.923 62.940 62.100 -0.138 0.000 1.142 265 T CB -0.175 68.646 68.868 -0.078 0.000 0.866 265 T HN 0.056 nan 8.240 nan 0.000 0.444 266 K N 0.634 120.868 120.400 -0.277 0.000 2.097 266 K HA -0.107 4.214 4.320 0.001 0.000 0.206 266 K C 2.645 178.998 176.600 -0.411 0.000 1.049 266 K CA 1.441 57.444 56.287 -0.474 0.000 0.933 266 K CB -0.208 31.658 32.500 -1.056 0.000 0.717 266 K HN 0.281 nan 8.250 nan 0.000 0.442 267 Q N 1.259 120.807 119.800 -0.420 0.000 2.079 267 Q HA -0.141 4.200 4.340 0.001 0.000 0.200 267 Q C 1.904 177.667 176.000 -0.395 0.000 0.974 267 Q CA 1.262 56.749 55.803 -0.526 0.000 0.840 267 Q CB -0.286 27.733 28.738 -1.198 0.000 0.898 267 Q HN 0.210 nan 8.270 nan 0.000 0.430 268 L N -0.163 120.870 121.223 -0.317 0.000 2.017 268 L HA -0.096 4.245 4.340 0.001 0.000 0.208 268 L C 2.095 178.933 176.870 -0.054 0.000 1.073 268 L CA 1.705 56.405 54.840 -0.232 0.000 0.745 268 L CB -1.076 40.798 42.059 -0.308 0.000 0.894 268 L HN 0.458 nan 8.230 nan 0.000 0.432 269 L N 0.065 121.229 121.223 -0.099 0.000 2.013 269 L HA -0.193 4.148 4.340 0.001 0.000 0.212 269 L C 2.494 179.400 176.870 0.059 0.000 1.073 269 L CA 2.286 57.098 54.840 -0.047 0.000 0.753 269 L CB -1.208 40.799 42.059 -0.086 0.000 0.890 269 L HN 0.311 nan 8.230 nan 0.000 0.432 270 A N -0.679 122.163 122.820 0.036 0.000 1.902 270 A HA -0.260 4.061 4.320 0.001 0.000 0.217 270 A C 2.139 179.807 177.584 0.140 0.000 1.181 270 A CA 2.090 54.199 52.037 0.121 0.000 0.623 270 A CB -1.039 18.065 19.000 0.173 0.000 0.818 270 A HN 0.689 nan 8.150 nan 0.000 0.443 271 N N -2.058 116.676 118.700 0.056 0.000 2.381 271 N HA -0.126 4.614 4.740 0.001 0.000 0.182 271 N C 1.276 176.825 175.510 0.064 0.000 1.025 271 N CA 0.945 54.026 53.050 0.052 0.000 0.888 271 N CB -0.247 38.200 38.487 -0.068 0.000 0.965 271 N HN 0.587 nan 8.380 nan 0.000 0.438 272 Y N 1.167 121.464 120.300 -0.005 0.000 2.439 272 Y HA -0.105 4.445 4.550 0.001 0.000 0.292 272 Y C 1.172 177.095 175.900 0.037 0.000 1.130 272 Y CA 0.664 58.778 58.100 0.023 0.000 1.254 272 Y CB -0.262 38.208 38.460 0.017 0.000 1.000 272 Y HN 0.086 nan 8.280 nan 0.000 0.554 273 N N -0.720 118.086 118.700 0.177 0.000 1.241 273 N HA -0.376 4.365 4.740 0.001 0.000 0.135 273 N C 0.118 175.703 175.510 0.125 0.000 0.723 273 N CA 1.677 54.799 53.050 0.121 0.000 0.950 273 N CB -1.213 37.322 38.487 0.079 0.000 1.215 273 N HN 0.170 nan 8.380 nan 0.000 0.520 274 N N 0.700 119.458 118.700 0.097 0.000 2.235 274 N HA 0.273 5.014 4.740 0.001 0.000 0.209 274 N C -0.560 175.014 175.510 0.106 0.000 1.122 274 N CA 0.077 53.182 53.050 0.090 0.000 0.845 274 N CB 0.094 38.617 38.487 0.059 0.000 1.004 274 N HN 0.336 nan 8.380 nan 0.000 0.499 275 I N 2.528 123.182 120.570 0.140 0.000 2.683 275 I HA 0.023 4.194 4.170 0.001 0.000 0.286 275 I C -1.874 174.378 176.117 0.226 0.000 1.175 275 I CA -1.278 60.112 61.300 0.151 0.000 1.429 275 I CB 0.325 38.379 38.000 0.090 0.000 1.371 275 I HN -0.230 nan 8.210 nan 0.000 0.569 276 P HA 0.045 nan 4.420 nan 0.000 0.263 276 P C -1.322 176.071 177.300 0.155 0.000 1.195 276 P CA 0.032 63.210 63.100 0.129 0.000 0.762 276 P CB 0.529 32.281 31.700 0.087 0.000 0.799 277 Q N 0.851 120.696 119.800 0.076 0.000 2.776 277 Q HA 0.548 4.888 4.340 0.001 0.000 0.289 277 Q C -0.242 175.732 176.000 -0.042 0.000 0.912 277 Q CA -0.636 55.165 55.803 -0.005 0.000 0.789 277 Q CB 0.131 28.761 28.738 -0.180 0.000 1.498 277 Q HN 0.293 nan 8.270 nan 0.000 0.408 278 T N -2.989 111.532 114.554 -0.056 0.000 3.029 278 T HA 0.274 4.625 4.350 0.001 0.000 0.256 278 T C 1.069 175.732 174.700 -0.061 0.000 0.914 278 T CA 0.137 62.209 62.100 -0.047 0.000 0.880 278 T CB -0.061 68.795 68.868 -0.020 0.000 1.246 278 T HN 0.390 nan 8.240 nan 0.000 0.523 279 L N 0.956 122.137 121.223 -0.070 0.000 2.109 279 L HA 0.095 4.435 4.340 0.001 0.000 0.207 279 L C 2.443 179.252 176.870 -0.101 0.000 1.086 279 L CA 0.873 55.673 54.840 -0.066 0.000 0.760 279 L CB -0.393 41.638 42.059 -0.047 0.000 0.910 279 L HN 0.220 nan 8.230 nan 0.000 0.437 280 I N -0.020 120.436 120.570 -0.189 0.000 2.163 280 I HA -0.282 3.888 4.170 0.001 0.000 0.243 280 I C 2.602 178.621 176.117 -0.164 0.000 1.085 280 I CA 1.438 62.592 61.300 -0.243 0.000 1.347 280 I CB -1.207 36.468 38.000 -0.543 0.000 1.044 280 I HN 0.391 nan 8.210 nan 0.000 0.408 281 E N 1.491 121.605 120.200 -0.144 0.000 2.106 281 E HA -0.151 4.200 4.350 0.001 0.000 0.192 281 E C 2.152 178.728 176.600 -0.040 0.000 0.984 281 E CA 1.365 57.717 56.400 -0.080 0.000 0.806 281 E CB 0.153 29.818 29.700 -0.060 0.000 0.750 281 E HN 0.401 nan 8.360 nan 0.000 0.458 282 A N 0.919 123.718 122.820 -0.035 0.000 2.015 282 A HA -0.068 4.253 4.320 0.001 0.000 0.219 282 A C 2.294 179.891 177.584 0.022 0.000 1.163 282 A CA 0.806 52.840 52.037 -0.004 0.000 0.646 282 A CB -0.497 18.501 19.000 -0.004 0.000 0.806 282 A HN 0.292 nan 8.150 nan 0.000 0.448 283 I N -0.623 119.955 120.570 0.012 0.000 2.394 283 I HA -0.193 3.977 4.170 0.001 0.000 0.251 283 I C 2.222 178.431 176.117 0.153 0.000 1.136 283 I CA 0.869 62.206 61.300 0.060 0.000 1.425 283 I CB -0.143 37.850 38.000 -0.012 0.000 1.079 283 I HN 0.159 nan 8.210 nan 0.000 0.425 284 V N 0.497 120.462 119.914 0.085 0.000 2.283 284 V HA -0.219 3.901 4.120 0.001 0.000 0.243 284 V C 2.607 178.736 176.094 0.058 0.000 1.039 284 V CA 2.076 64.433 62.300 0.096 0.000 1.016 284 V CB -0.647 31.180 31.823 0.008 0.000 0.650 284 V HN 0.576 nan 8.190 nan 0.000 0.449 285 S N -0.476 115.244 115.700 0.033 0.000 2.402 285 S HA -0.217 4.253 4.470 0.001 0.000 0.229 285 S C 2.157 176.772 174.600 0.024 0.000 1.021 285 S CA 1.691 59.904 58.200 0.020 0.000 0.974 285 S CB -0.664 62.545 63.200 0.015 0.000 0.800 285 S HN 0.467 nan 8.310 nan 0.000 0.484 286 S N 2.271 117.999 115.700 0.047 0.000 2.387 286 S HA -0.198 4.272 4.470 0.001 0.000 0.230 286 S C 1.947 176.565 174.600 0.029 0.000 1.035 286 S CA 1.648 59.880 58.200 0.052 0.000 1.014 286 S CB -0.899 62.356 63.200 0.091 0.000 0.836 286 S HN 0.638 nan 8.310 nan 0.000 0.466 287 N N 1.889 120.580 118.700 -0.015 0.000 2.120 287 N HA -0.012 4.729 4.740 0.001 0.000 0.188 287 N C 1.554 177.006 175.510 -0.096 0.000 1.024 287 N CA 1.381 54.326 53.050 -0.175 0.000 0.852 287 N CB -0.531 37.617 38.487 -0.565 0.000 1.003 287 N HN 0.412 nan 8.380 nan 0.000 0.424 288 N N -0.129 118.538 118.700 -0.055 0.000 2.120 288 N HA -0.096 4.645 4.740 0.001 0.000 0.188 288 N C 1.719 177.232 175.510 0.005 0.000 1.024 288 N CA 0.790 53.826 53.050 -0.023 0.000 0.852 288 N CB -0.473 38.009 38.487 -0.008 0.000 1.003 288 N HN 0.084 nan 8.380 nan 0.000 0.424 289 V N 1.475 121.398 119.914 0.016 0.000 2.427 289 V HA -0.170 3.950 4.120 0.001 0.000 0.248 289 V C 2.521 178.658 176.094 0.070 0.000 1.051 289 V CA 1.295 63.618 62.300 0.038 0.000 1.048 289 V CB -0.392 31.448 31.823 0.027 0.000 0.666 289 V HN 0.190 nan 8.190 nan 0.000 0.456 290 R N 1.105 121.640 120.500 0.058 0.000 2.073 290 R HA -0.148 4.193 4.340 0.001 0.000 0.234 290 R C 2.169 178.549 176.300 0.134 0.000 1.134 290 R CA 1.800 57.963 56.100 0.105 0.000 0.952 290 R CB -0.532 29.817 30.300 0.081 0.000 0.850 290 R HN 0.460 nan 8.270 nan 0.000 0.433 291 K N 0.020 120.458 120.400 0.064 0.000 2.063 291 K HA -0.117 4.204 4.320 0.001 0.000 0.208 291 K C 2.088 178.691 176.600 0.005 0.000 1.048 291 K CA 1.909 58.213 56.287 0.028 0.000 0.928 291 K CB -0.211 32.289 32.500 0.001 0.000 0.713 291 K HN 0.401 nan 8.250 nan 0.000 0.442 292 S N 0.260 115.976 115.700 0.026 0.000 2.383 292 S HA -0.208 4.263 4.470 0.001 0.000 0.227 292 S C 2.050 176.659 174.600 0.015 0.000 1.026 292 S CA 0.870 59.075 58.200 0.009 0.000 0.981 292 S CB -0.612 62.601 63.200 0.022 0.000 0.818 292 S HN 0.409 nan 8.310 nan 0.000 0.472 293 Y N 2.407 122.689 120.300 -0.030 0.000 2.200 293 Y HA -0.014 4.537 4.550 0.001 0.000 0.290 293 Y C 2.082 177.958 175.900 -0.040 0.000 1.137 293 Y CA 1.251 59.338 58.100 -0.023 0.000 1.163 293 Y CB -0.347 38.116 38.460 0.006 0.000 0.988 293 Y HN 0.146 nan 8.280 nan 0.000 0.518 294 I N 0.681 121.213 120.570 -0.063 0.000 2.179 294 I HA -0.298 3.873 4.170 0.001 0.000 0.242 294 I C 2.681 178.596 176.117 -0.338 0.000 1.088 294 I CA 1.561 62.743 61.300 -0.196 0.000 1.357 294 I CB -1.958 35.922 38.000 -0.200 0.000 1.051 294 I HN 0.388 nan 8.210 nan 0.000 0.409 295 A N 0.638 123.305 122.820 -0.256 0.000 1.940 295 A HA -0.265 4.055 4.320 0.001 0.000 0.219 295 A C 2.468 179.895 177.584 -0.262 0.000 1.176 295 A CA 2.037 53.930 52.037 -0.241 0.000 0.631 295 A CB -0.589 18.319 19.000 -0.153 0.000 0.814 295 A HN 0.419 nan 8.150 nan 0.000 0.446 296 K N -1.048 119.191 120.400 -0.268 0.000 2.097 296 K HA -0.163 4.158 4.320 0.001 0.000 0.205 296 K C 2.148 178.542 176.600 -0.343 0.000 1.050 296 K CA 1.248 57.379 56.287 -0.260 0.000 0.938 296 K CB -0.139 32.232 32.500 -0.215 0.000 0.718 296 K HN 0.368 nan 8.250 nan 0.000 0.442 297 Q N 0.696 120.198 119.800 -0.496 0.000 2.096 297 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 297 Q C 2.144 177.826 176.000 -0.531 0.000 0.982 297 Q CA 1.408 56.905 55.803 -0.509 0.000 0.850 297 Q CB -0.199 28.205 28.738 -0.557 0.000 0.901 297 Q HN 0.446 nan 8.270 nan 0.000 0.422 298 I N 0.085 120.307 120.570 -0.579 0.000 2.202 298 I HA -0.255 3.916 4.170 0.001 0.000 0.242 298 I C 2.249 178.183 176.117 -0.304 0.000 1.091 298 I CA 0.781 61.776 61.300 -0.507 0.000 1.368 298 I CB -0.252 37.496 38.000 -0.419 0.000 1.058 298 I HN 0.105 nan 8.210 nan 0.000 0.410 299 I N 0.954 121.374 120.570 -0.250 0.000 2.208 299 I HA -0.329 3.842 4.170 0.001 0.000 0.245 299 I C 2.140 178.162 176.117 -0.158 0.000 1.097 299 I CA 1.348 62.544 61.300 -0.174 0.000 1.363 299 I CB -0.460 37.451 38.000 -0.148 0.000 1.051 299 I HN 0.324 nan 8.210 nan 0.000 0.413 300 N N 0.220 118.811 118.700 -0.182 0.000 2.188 300 N HA -0.103 4.638 4.740 0.001 0.000 0.184 300 N C 1.895 177.327 175.510 -0.131 0.000 1.018 300 N CA 1.035 53.999 53.050 -0.143 0.000 0.858 300 N CB -0.365 38.037 38.487 -0.143 0.000 0.989 300 N HN 0.166 nan 8.380 nan 0.000 0.426 301 V N 1.647 121.460 119.914 -0.168 0.000 2.343 301 V HA -0.149 3.971 4.120 0.001 0.000 0.247 301 V C 2.411 178.443 176.094 -0.104 0.000 1.051 301 V CA 1.095 63.316 62.300 -0.133 0.000 1.036 301 V CB -0.480 31.244 31.823 -0.164 0.000 0.654 301 V HN 0.242 nan 8.190 nan 0.000 0.451 302 L N 0.559 121.712 121.223 -0.116 0.000 2.042 302 L HA -0.220 4.121 4.340 0.001 0.000 0.210 302 L C 2.616 179.443 176.870 -0.072 0.000 1.076 302 L CA 2.200 56.987 54.840 -0.089 0.000 0.749 302 L CB -0.670 41.334 42.059 -0.093 0.000 0.893 302 L HN 0.479 nan 8.230 nan 0.000 0.432 303 K N 0.056 120.412 120.400 -0.074 0.000 2.515 303 K HA -0.145 4.176 4.320 0.001 0.000 0.196 303 K C 1.120 177.690 176.600 -0.051 0.000 1.038 303 K CA 1.106 57.358 56.287 -0.059 0.000 0.967 303 K CB -0.123 32.341 32.500 -0.059 0.000 0.780 303 K HN 0.384 nan 8.250 nan 0.000 0.483 304 E N 1.081 121.249 120.200 -0.053 0.000 2.465 304 E HA 0.026 4.377 4.350 0.001 0.000 0.191 304 E C -0.310 176.267 176.600 -0.039 0.000 1.053 304 E CA -0.005 56.369 56.400 -0.043 0.000 0.869 304 E CB 0.349 30.023 29.700 -0.043 0.000 0.977 304 E HN 0.436 nan 8.360 nan 0.000 0.483 305 Q N 0.548 120.323 119.800 -0.041 0.000 2.306 305 Q HA 0.332 4.673 4.340 0.001 0.000 0.265 305 Q C -0.683 175.297 176.000 -0.034 0.000 1.022 305 Q CA -0.392 55.389 55.803 -0.037 0.000 0.853 305 Q CB 1.751 30.464 28.738 -0.042 0.000 1.327 305 Q HN 0.037 nan 8.270 nan 0.000 0.449 306 E N 1.359 121.541 120.200 -0.030 0.000 2.167 306 E HA 0.307 4.658 4.350 0.001 0.000 0.247 306 E C -1.158 175.426 176.600 -0.027 0.000 0.961 306 E CA -0.230 56.154 56.400 -0.027 0.000 0.797 306 E CB 1.285 30.971 29.700 -0.023 0.000 1.182 306 E HN 0.290 nan 8.360 nan 0.000 0.437 307 S N 2.343 118.025 115.700 -0.029 0.000 2.548 307 S HA 0.354 4.825 4.470 0.001 0.000 0.276 307 S C -1.785 172.798 174.600 -0.027 0.000 1.129 307 S CA -1.583 56.599 58.200 -0.029 0.000 0.931 307 S CB 1.031 64.211 63.200 -0.034 0.000 1.068 307 S HN 0.198 nan 8.310 nan 0.000 0.480 308 P HA -0.028 nan 4.420 nan 0.000 0.216 308 P C 0.042 177.328 177.300 -0.023 0.000 1.150 308 P CA 0.959 64.046 63.100 -0.022 0.000 0.843 308 P CB 0.012 31.701 31.700 -0.019 0.000 0.787 309 V N 0.585 120.483 119.914 -0.026 0.000 2.680 309 V HA 0.310 4.430 4.120 0.001 0.000 0.309 309 V C 0.092 176.165 176.094 -0.034 0.000 1.052 309 V CA -0.900 61.383 62.300 -0.028 0.000 0.908 309 V CB 2.518 34.326 31.823 -0.025 0.000 1.001 309 V HN -0.141 nan 8.190 nan 0.000 0.431 310 K N 3.166 123.544 120.400 -0.037 0.000 2.265 310 K HA 0.649 4.970 4.320 0.001 0.000 0.267 310 K C -1.091 175.482 176.600 -0.046 0.000 0.994 310 K CA -0.435 55.826 56.287 -0.044 0.000 0.860 310 K CB 2.028 34.500 32.500 -0.047 0.000 1.099 310 K HN 0.422 nan 8.250 nan 0.000 0.448 311 V N 3.283 123.164 119.914 -0.055 0.000 2.487 311 V HA 0.304 4.425 4.120 0.001 0.000 0.298 311 V C -0.217 175.835 176.094 -0.070 0.000 1.028 311 V CA -1.038 61.227 62.300 -0.059 0.000 0.860 311 V CB 2.060 33.842 31.823 -0.069 0.000 0.991 311 V HN 0.378 nan 8.190 nan 0.000 0.427 312 V N 3.835 123.719 119.914 -0.050 0.000 2.370 312 V HA 0.636 4.756 4.120 0.001 0.000 0.279 312 V C 0.799 176.883 176.094 -0.017 0.000 1.029 312 V CA -0.248 62.030 62.300 -0.036 0.000 0.870 312 V CB 1.673 33.486 31.823 -0.017 0.000 0.984 312 V HN 0.967 nan 8.190 nan 0.000 0.451 313 G N 4.060 112.823 108.800 -0.063 0.000 2.329 313 G HA2 0.508 4.468 3.960 0.001 0.000 0.309 313 G HA3 0.508 4.468 3.960 0.001 0.000 0.309 313 G C -0.647 174.480 174.900 0.379 0.000 1.110 313 G CA -0.311 44.755 45.100 -0.057 0.000 0.923 313 G HN 0.535 nan 8.290 nan 0.000 0.430 314 V N 3.756 123.978 119.914 0.513 0.000 2.385 314 V HA 0.116 4.236 4.120 0.001 0.000 0.269 314 V C -0.524 175.850 176.094 0.465 0.000 1.043 314 V CA -0.713 61.840 62.300 0.422 0.000 0.906 314 V CB 0.664 32.625 31.823 0.231 0.000 0.995 314 V HN 0.657 nan 8.190 nan 0.000 0.467 315 Y N 7.950 128.441 120.300 0.318 0.000 2.535 315 Y HA 0.579 5.130 4.550 0.001 0.000 0.349 315 Y C 0.350 176.302 175.900 0.087 0.000 0.992 315 Y CA -0.812 57.366 58.100 0.129 0.000 1.248 315 Y CB -0.355 38.206 38.460 0.169 0.000 1.124 315 Y HN 0.723 nan 8.280 nan 0.000 0.520 316 R N 3.814 124.105 120.500 -0.349 0.000 1.375 316 R HA -0.165 4.176 4.340 0.001 0.000 0.445 316 R C -0.890 175.320 176.300 -0.149 0.000 1.333 316 R CA 0.584 56.477 56.100 -0.345 0.000 1.298 316 R CB -1.373 28.667 30.300 -0.433 0.000 3.461 316 R HN 0.950 nan 8.270 nan 0.000 0.516 317 L N 1.948 123.076 121.223 -0.158 0.000 2.966 317 L HA 0.311 4.652 4.340 0.001 0.000 0.262 317 L C 1.153 178.130 176.870 0.177 0.000 1.165 317 L CA -0.311 54.463 54.840 -0.111 0.000 0.978 317 L CB 0.225 41.981 42.059 -0.504 0.000 1.337 317 L HN 0.545 nan 8.230 nan 0.000 0.563 318 I N -1.095 119.617 120.570 0.236 0.000 2.815 318 I HA -0.106 4.065 4.170 0.001 0.000 0.291 318 I C 1.628 177.839 176.117 0.156 0.000 1.209 318 I CA -0.257 61.206 61.300 0.270 0.000 1.431 318 I CB 0.634 38.701 38.000 0.112 0.000 1.351 318 I HN 0.238 nan 8.210 nan 0.000 0.585 319 M N 4.264 123.943 119.600 0.132 0.000 2.476 319 M HA 0.118 4.599 4.480 0.001 0.000 0.262 319 M C 0.379 176.713 176.300 0.057 0.000 1.079 319 M CA 1.125 56.485 55.300 0.099 0.000 1.104 319 M CB -0.421 32.236 32.600 0.096 0.000 1.409 319 M HN 0.771 nan 8.290 nan 0.000 0.467 320 K N -1.682 118.736 120.400 0.030 0.000 2.614 320 K HA 0.529 4.850 4.320 0.001 0.000 0.293 320 K C -1.263 175.336 176.600 -0.001 0.000 1.045 320 K CA -0.734 55.557 56.287 0.007 0.000 0.880 320 K CB 0.410 32.912 32.500 0.004 0.000 1.552 320 K HN -0.083 nan 8.250 nan 0.000 0.404 321 S N 1.788 117.483 115.700 -0.009 0.000 2.552 321 S HA 0.036 4.506 4.470 0.001 0.000 0.289 321 S C 0.115 174.713 174.600 -0.003 0.000 1.304 321 S CA 0.203 58.401 58.200 -0.004 0.000 1.063 321 S CB -0.319 62.880 63.200 -0.002 0.000 0.848 321 S HN 0.808 nan 8.310 nan 0.000 0.499 322 N N -0.028 118.672 118.700 -0.000 0.000 2.828 322 N HA -0.166 4.574 4.740 0.001 0.000 0.248 322 N C -0.018 175.490 175.510 -0.004 0.000 1.044 322 N CA 1.156 54.206 53.050 0.000 0.000 0.851 322 N CB -1.404 37.084 38.487 0.002 0.000 1.136 322 N HN 0.600 nan 8.380 nan 0.000 0.572 323 S N 0.873 116.566 115.700 -0.011 0.000 2.592 323 S HA 0.241 4.712 4.470 0.001 0.000 0.271 323 S C 0.790 175.367 174.600 -0.039 0.000 1.326 323 S CA -0.035 58.149 58.200 -0.028 0.000 1.024 323 S CB 0.912 64.095 63.200 -0.029 0.000 0.921 323 S HN 0.275 nan 8.310 nan 0.000 0.527 324 D N 1.248 121.616 120.400 -0.052 0.000 2.462 324 D HA 0.147 4.787 4.640 0.001 0.000 0.221 324 D C -0.169 175.974 176.300 -0.261 0.000 1.173 324 D CA -0.403 53.541 54.000 -0.093 0.000 0.831 324 D CB -0.697 40.096 40.800 -0.012 0.000 1.001 324 D HN 0.575 nan 8.370 nan 0.000 0.499 325 N N -1.288 117.212 118.700 -0.334 0.000 2.774 325 N HA 0.438 5.179 4.740 0.001 0.000 0.264 325 N C -1.108 174.080 175.510 -0.537 0.000 1.415 325 N CA -0.929 51.758 53.050 -0.603 0.000 0.815 325 N CB 0.438 38.785 38.487 -0.233 0.000 1.514 325 N HN -0.154 nan 8.380 nan 0.000 0.523 326 F N -1.522 118.440 119.950 0.020 0.000 2.735 326 F HA 0.463 4.991 4.527 0.001 0.000 0.308 326 F C 0.283 176.107 175.800 0.040 0.000 1.112 326 F CA -0.725 57.287 58.000 0.020 0.000 1.235 326 F CB 0.049 39.054 39.000 0.008 0.000 1.027 326 F HN 0.121 nan 8.300 nan 0.000 0.528 327 R N 2.156 122.728 120.500 0.120 0.000 2.480 327 R HA -0.003 4.338 4.340 0.001 0.000 0.303 327 R C 0.312 176.710 176.300 0.162 0.000 0.985 327 R CA 0.303 56.481 56.100 0.131 0.000 1.051 327 R CB -0.024 30.336 30.300 0.100 0.000 0.935 327 R HN 0.195 nan 8.270 nan 0.000 0.410 328 E N -0.394 119.902 120.200 0.162 0.000 2.660 328 E HA -0.218 4.132 4.350 0.001 0.000 0.260 328 E C -0.317 176.361 176.600 0.131 0.000 1.122 328 E CA 0.945 57.432 56.400 0.144 0.000 0.755 328 E CB -1.523 28.271 29.700 0.157 0.000 1.345 328 E HN 0.604 nan 8.360 nan 0.000 0.421 329 S N -0.714 115.075 115.700 0.147 0.000 2.544 329 S HA 0.265 4.736 4.470 0.001 0.000 0.290 329 S C 1.650 176.323 174.600 0.122 0.000 1.276 329 S CA 0.484 58.769 58.200 0.143 0.000 1.075 329 S CB 0.994 64.297 63.200 0.172 0.000 0.849 329 S HN 0.384 nan 8.310 nan 0.000 0.494 330 A N 5.692 128.586 122.820 0.123 0.000 1.940 330 A HA -0.095 4.226 4.320 0.001 0.000 0.219 330 A C 1.995 179.681 177.584 0.170 0.000 1.176 330 A CA 1.552 53.666 52.037 0.128 0.000 0.631 330 A CB -0.685 18.406 19.000 0.152 0.000 0.814 330 A HN 0.946 nan 8.150 nan 0.000 0.446 331 I N -0.764 119.946 120.570 0.233 0.000 2.567 331 I HA -0.243 3.927 4.170 0.001 0.000 0.257 331 I C 2.090 178.280 176.117 0.121 0.000 1.184 331 I CA 1.334 62.789 61.300 0.258 0.000 1.451 331 I CB -0.092 38.103 38.000 0.325 0.000 1.089 331 I HN 0.308 nan 8.210 nan 0.000 0.441 332 K N 0.223 120.679 120.400 0.092 0.000 2.148 332 K HA -0.150 4.171 4.320 0.001 0.000 0.204 332 K C 1.512 178.135 176.600 0.039 0.000 1.050 332 K CA 1.313 57.632 56.287 0.053 0.000 0.942 332 K CB -0.139 32.393 32.500 0.052 0.000 0.724 332 K HN 0.384 nan 8.250 nan 0.000 0.446 333 D N 0.672 121.098 120.400 0.043 0.000 2.149 333 D HA -0.096 4.544 4.640 0.001 0.000 0.201 333 D C 2.020 178.320 176.300 -0.000 0.000 0.972 333 D CA 0.800 54.813 54.000 0.022 0.000 0.835 333 D CB -0.073 40.739 40.800 0.019 0.000 0.966 333 D HN -0.084 nan 8.370 nan 0.000 0.476 334 V N 1.559 121.468 119.914 -0.008 0.000 2.343 334 V HA -0.223 3.897 4.120 0.001 0.000 0.247 334 V C 2.559 178.623 176.094 -0.050 0.000 1.051 334 V CA 1.100 63.361 62.300 -0.064 0.000 1.036 334 V CB -0.334 31.402 31.823 -0.144 0.000 0.654 334 V HN 0.173 nan 8.190 nan 0.000 0.451 335 I N -0.003 120.558 120.570 -0.015 0.000 2.163 335 I HA -0.257 3.914 4.170 0.001 0.000 0.243 335 I C 2.339 178.448 176.117 -0.013 0.000 1.085 335 I CA 1.689 62.984 61.300 -0.008 0.000 1.347 335 I CB -0.541 37.467 38.000 0.012 0.000 1.044 335 I HN 0.316 nan 8.210 nan 0.000 0.408 336 D N 0.980 121.377 120.400 -0.005 0.000 2.133 336 D HA -0.182 4.458 4.640 0.001 0.000 0.195 336 D C 2.191 178.483 176.300 -0.014 0.000 0.997 336 D CA 1.486 55.483 54.000 -0.004 0.000 0.840 336 D CB -0.229 40.574 40.800 0.005 0.000 0.947 336 D HN 0.362 nan 8.370 nan 0.000 0.452 337 I N 0.303 120.858 120.570 -0.024 0.000 2.315 337 I HA -0.200 3.971 4.170 0.001 0.000 0.248 337 I C 2.330 178.421 176.117 -0.044 0.000 1.117 337 I CA 0.530 61.809 61.300 -0.034 0.000 1.404 337 I CB -0.098 37.874 38.000 -0.047 0.000 1.071 337 I HN -0.015 nan 8.210 nan 0.000 0.419 338 L N 0.403 121.596 121.223 -0.051 0.000 2.141 338 L HA -0.169 4.172 4.340 0.001 0.000 0.209 338 L C 2.442 179.289 176.870 -0.038 0.000 1.094 338 L CA 1.207 56.014 54.840 -0.055 0.000 0.763 338 L CB -0.516 41.507 42.059 -0.061 0.000 0.908 338 L HN 0.177 nan 8.230 nan 0.000 0.437 339 K N 0.115 120.500 120.400 -0.026 0.000 2.209 339 K HA -0.144 4.177 4.320 0.001 0.000 0.204 339 K C 2.086 178.675 176.600 -0.018 0.000 1.048 339 K CA 1.587 57.863 56.287 -0.018 0.000 0.940 339 K CB -0.127 32.367 32.500 -0.010 0.000 0.729 339 K HN 0.333 nan 8.250 nan 0.000 0.451 340 S N 0.317 116.005 115.700 -0.020 0.000 2.603 340 S HA 0.025 4.495 4.470 0.001 0.000 0.229 340 S C 0.456 175.042 174.600 -0.023 0.000 0.972 340 S CA 0.268 58.457 58.200 -0.019 0.000 0.935 340 S CB 0.061 63.250 63.200 -0.018 0.000 0.769 340 S HN -0.012 nan 8.310 nan 0.000 0.536 341 K N 1.073 121.456 120.400 -0.028 0.000 2.316 341 K HA 0.311 4.632 4.320 0.001 0.000 0.234 341 K C -0.954 175.629 176.600 -0.029 0.000 1.054 341 K CA -0.708 55.559 56.287 -0.032 0.000 0.879 341 K CB 0.480 32.953 32.500 -0.044 0.000 1.252 341 K HN 0.046 nan 8.250 nan 0.000 0.471 342 D N 1.206 121.588 120.400 -0.030 0.000 2.994 342 D HA 0.198 4.839 4.640 0.001 0.000 0.240 342 D C -0.693 175.589 176.300 -0.030 0.000 1.195 342 D CA 0.031 54.016 54.000 -0.026 0.000 0.957 342 D CB -0.751 40.035 40.800 -0.025 0.000 1.105 342 D HN 0.248 nan 8.370 nan 0.000 0.477 343 I N 1.123 121.675 120.570 -0.030 0.000 2.406 343 I HA 0.235 4.406 4.170 0.001 0.000 0.290 343 I C 0.306 176.409 176.117 -0.024 0.000 0.999 343 I CA -1.185 60.095 61.300 -0.033 0.000 1.124 343 I CB 1.805 39.780 38.000 -0.042 0.000 1.289 343 I HN -0.076 nan 8.210 nan 0.000 0.441 344 K N 6.670 127.057 120.400 -0.022 0.000 2.218 344 K HA 0.450 4.771 4.320 0.001 0.000 0.276 344 K C -0.977 175.619 176.600 -0.008 0.000 1.022 344 K CA -0.358 55.921 56.287 -0.013 0.000 0.946 344 K CB 0.873 33.364 32.500 -0.015 0.000 1.000 344 K HN 0.458 nan 8.250 nan 0.000 0.468 345 I N 6.917 127.492 120.570 0.007 0.000 2.418 345 I HA 0.294 4.465 4.170 0.001 0.000 0.287 345 I C 0.047 176.197 176.117 0.054 0.000 1.008 345 I CA -0.800 60.517 61.300 0.028 0.000 1.104 345 I CB 1.119 39.135 38.000 0.027 0.000 1.264 345 I HN 0.627 nan 8.210 nan 0.000 0.438 346 I N 4.539 125.164 120.570 0.092 0.000 2.530 346 I HA 0.668 4.839 4.170 0.001 0.000 0.297 346 I C -0.946 175.350 176.117 0.298 0.000 1.011 346 I CA -0.767 60.630 61.300 0.162 0.000 1.107 346 I CB 2.408 40.502 38.000 0.157 0.000 1.285 346 I HN 0.306 nan 8.210 nan 0.000 0.436 347 I N 5.294 126.014 120.570 0.249 0.000 2.406 347 I HA 0.292 4.463 4.170 0.001 0.000 0.290 347 I C -1.320 174.855 176.117 0.097 0.000 0.999 347 I CA -0.769 60.644 61.300 0.187 0.000 1.124 347 I CB 1.933 39.946 38.000 0.022 0.000 1.289 347 I HN 0.573 nan 8.210 nan 0.000 0.441 348 Y N 6.126 126.265 120.300 -0.268 0.000 2.385 348 Y HA 0.514 5.065 4.550 0.001 0.000 0.341 348 Y C -0.457 175.220 175.900 -0.371 0.000 0.965 348 Y CA -0.535 57.262 58.100 -0.505 0.000 1.180 348 Y CB 0.819 38.571 38.460 -1.179 0.000 1.139 348 Y HN 0.538 nan 8.280 nan 0.000 0.502 349 E N 8.555 128.331 120.200 -0.707 0.000 2.738 349 E HA 0.361 4.711 4.350 0.001 0.000 0.347 349 E C -2.647 173.659 176.600 -0.489 0.000 1.077 349 E CA -2.316 53.736 56.400 -0.580 0.000 0.755 349 E CB 1.160 30.613 29.700 -0.413 0.000 1.576 349 E HN 0.373 nan 8.360 nan 0.000 0.379 350 P HA -0.181 nan 4.420 nan 0.000 0.217 350 P C 1.204 178.415 177.300 -0.148 0.000 1.151 350 P CA 1.572 64.467 63.100 -0.341 0.000 0.849 350 P CB 0.081 31.604 31.700 -0.296 0.000 0.787 351 M N -2.280 117.276 119.600 -0.074 0.000 2.549 351 M HA -0.059 4.422 4.480 0.001 0.000 0.260 351 M C 0.538 176.899 176.300 0.103 0.000 1.076 351 M CA 0.588 55.916 55.300 0.047 0.000 1.090 351 M CB -0.364 32.323 32.600 0.144 0.000 1.418 351 M HN -0.035 nan 8.290 nan 0.000 0.486 352 L N 0.252 121.493 121.223 0.030 0.000 2.317 352 L HA 0.277 4.617 4.340 0.001 0.000 0.281 352 L C 0.629 177.483 176.870 -0.027 0.000 1.024 352 L CA 0.126 54.979 54.840 0.021 0.000 0.810 352 L CB 0.950 42.956 42.059 -0.089 0.000 1.240 352 L HN 0.032 nan 8.230 nan 0.000 0.427 353 N N 2.387 121.085 118.700 -0.004 0.000 2.368 353 N HA 0.065 4.805 4.740 0.001 0.000 0.178 353 N C -0.559 174.943 175.510 -0.013 0.000 1.021 353 N CA 0.309 53.352 53.050 -0.011 0.000 0.875 353 N CB 0.543 39.030 38.487 0.000 0.000 1.020 353 N HN 0.688 nan 8.380 nan 0.000 0.433 354 K N 0.102 120.496 120.400 -0.009 0.000 2.546 354 K HA 0.332 4.653 4.320 0.001 0.000 0.264 354 K C -1.444 175.148 176.600 -0.012 0.000 0.937 354 K CA -0.757 55.524 56.287 -0.009 0.000 0.833 354 K CB 1.451 33.950 32.500 -0.001 0.000 1.378 354 K HN -0.128 nan 8.250 nan 0.000 0.432 355 L N 1.803 123.016 121.223 -0.016 0.000 2.416 355 L HA 0.278 4.618 4.340 0.001 0.000 0.262 355 L C 0.577 177.444 176.870 -0.004 0.000 1.093 355 L CA -0.924 53.905 54.840 -0.019 0.000 0.801 355 L CB 1.012 43.058 42.059 -0.022 0.000 1.191 355 L HN 0.776 nan 8.230 nan 0.000 0.459 356 E N 0.079 120.278 120.200 -0.001 0.000 2.415 356 E HA 0.000 4.351 4.350 0.001 0.000 0.262 356 E C 0.432 177.034 176.600 0.004 0.000 1.038 356 E CA -0.288 56.116 56.400 0.006 0.000 0.921 356 E CB 0.658 30.364 29.700 0.010 0.000 0.950 356 E HN 0.481 nan 8.360 nan 0.000 0.438 357 S N 2.011 117.715 115.700 0.006 0.000 2.407 357 S HA -0.200 4.270 4.470 0.001 0.000 0.235 357 S C 1.299 175.902 174.600 0.006 0.000 1.036 357 S CA 1.752 59.955 58.200 0.006 0.000 1.013 357 S CB -0.196 63.008 63.200 0.006 0.000 0.820 357 S HN 0.561 nan 8.310 nan 0.000 0.476 358 E N 0.457 120.661 120.200 0.006 0.000 2.371 358 E HA 0.009 4.360 4.350 0.001 0.000 0.194 358 E C 0.209 176.812 176.600 0.005 0.000 1.012 358 E CA -0.134 56.270 56.400 0.006 0.000 0.860 358 E CB 0.022 29.727 29.700 0.008 0.000 0.811 358 E HN 0.310 nan 8.360 nan 0.000 0.502 359 D N 1.426 121.828 120.400 0.004 0.000 2.487 359 D HA -0.071 4.569 4.640 0.001 0.000 0.243 359 D C 0.799 177.101 176.300 0.004 0.000 1.154 359 D CA 0.306 54.307 54.000 0.003 0.000 0.876 359 D CB 0.909 41.708 40.800 -0.002 0.000 1.161 359 D HN -0.050 nan 8.370 nan 0.000 0.478 360 Q N 1.548 121.350 119.800 0.004 0.000 2.432 360 Q HA 0.036 4.376 4.340 0.001 0.000 0.205 360 Q C 0.418 176.423 176.000 0.008 0.000 0.945 360 Q CA 0.201 56.007 55.803 0.005 0.000 0.924 360 Q CB 0.040 28.779 28.738 0.003 0.000 1.016 360 Q HN 0.296 nan 8.270 nan 0.000 0.503 361 S N 0.148 115.853 115.700 0.008 0.000 2.579 361 S HA 0.267 4.738 4.470 0.001 0.000 0.275 361 S C 0.034 174.645 174.600 0.020 0.000 1.345 361 S CA -0.365 57.844 58.200 0.015 0.000 1.031 361 S CB 1.218 64.425 63.200 0.011 0.000 0.892 361 S HN -0.041 nan 8.310 nan 0.000 0.529 362 V N 3.341 123.276 119.914 0.036 0.000 2.487 362 V HA 0.314 4.435 4.120 0.001 0.000 0.298 362 V C -0.488 175.643 176.094 0.063 0.000 1.028 362 V CA -0.770 61.555 62.300 0.041 0.000 0.860 362 V CB 1.566 33.416 31.823 0.044 0.000 0.991 362 V HN 0.669 nan 8.190 nan 0.000 0.427 363 L N 7.033 128.281 121.223 0.042 0.000 2.369 363 L HA 0.418 4.759 4.340 0.001 0.000 0.279 363 L C -0.147 176.769 176.870 0.077 0.000 1.108 363 L CA 0.576 55.439 54.840 0.039 0.000 0.852 363 L CB 1.053 43.107 42.059 -0.009 0.000 1.169 363 L HN 0.471 nan 8.230 nan 0.000 0.452 364 V N 5.889 125.890 119.914 0.145 0.000 2.276 364 V HA 0.306 4.427 4.120 0.001 0.000 0.268 364 V C 0.637 176.874 176.094 0.238 0.000 1.032 364 V CA -0.530 61.889 62.300 0.199 0.000 0.810 364 V CB 0.579 32.578 31.823 0.293 0.000 1.060 364 V HN 0.697 nan 8.190 nan 0.000 0.446 365 N N 2.067 120.852 118.700 0.141 0.000 2.449 365 N HA -0.010 4.731 4.740 0.001 0.000 0.191 365 N C 0.319 175.998 175.510 0.281 0.000 1.161 365 N CA 0.296 53.429 53.050 0.140 0.000 0.863 365 N CB 0.154 38.619 38.487 -0.037 0.000 0.980 365 N HN 0.766 nan 8.380 nan 0.000 0.458 366 D N 0.299 120.842 120.400 0.239 0.000 2.347 366 D HA 0.060 4.701 4.640 0.001 0.000 0.235 366 D C 1.231 177.642 176.300 0.184 0.000 1.149 366 D CA -0.490 53.621 54.000 0.186 0.000 0.850 366 D CB 0.732 41.605 40.800 0.122 0.000 1.061 366 D HN -0.188 nan 8.370 nan 0.000 0.487 367 L N 4.160 125.438 121.223 0.092 0.000 2.042 367 L HA -0.114 4.227 4.340 0.001 0.000 0.210 367 L C 1.889 178.758 176.870 -0.002 0.000 1.076 367 L CA 1.922 56.649 54.840 -0.190 0.000 0.749 367 L CB -0.615 41.230 42.059 -0.356 0.000 0.893 367 L HN 0.699 nan 8.230 nan 0.000 0.432 368 E N -0.941 119.271 120.200 0.021 0.000 2.077 368 E HA -0.252 4.098 4.350 0.001 0.000 0.193 368 E C 1.819 178.450 176.600 0.051 0.000 0.989 368 E CA 1.359 57.775 56.400 0.027 0.000 0.800 368 E CB -0.014 29.698 29.700 0.019 0.000 0.746 368 E HN 0.566 nan 8.360 nan 0.000 0.452 369 N N 0.138 118.887 118.700 0.080 0.000 2.188 369 N HA -0.156 4.585 4.740 0.001 0.000 0.184 369 N C 1.580 177.149 175.510 0.099 0.000 1.018 369 N CA 0.936 54.033 53.050 0.078 0.000 0.858 369 N CB -0.560 37.981 38.487 0.090 0.000 0.989 369 N HN 0.226 nan 8.380 nan 0.000 0.426 370 F N 2.263 122.212 119.950 -0.001 0.000 2.069 370 F HA -0.160 4.368 4.527 0.001 0.000 0.298 370 F C 1.996 177.783 175.800 -0.021 0.000 1.113 370 F CA 1.563 59.567 58.000 0.007 0.000 1.214 370 F CB -0.085 38.919 39.000 0.007 0.000 0.978 370 F HN -0.100 nan 8.300 nan 0.000 0.474 371 K N 0.296 120.707 120.400 0.018 0.000 2.097 371 K HA -0.182 4.139 4.320 0.001 0.000 0.206 371 K C 2.040 178.555 176.600 -0.142 0.000 1.049 371 K CA 1.830 58.050 56.287 -0.112 0.000 0.933 371 K CB -0.209 32.283 32.500 -0.012 0.000 0.717 371 K HN 0.310 nan 8.250 nan 0.000 0.442 372 K N 0.960 121.312 120.400 -0.079 0.000 2.026 372 K HA -0.174 4.147 4.320 0.001 0.000 0.208 372 K C 2.268 178.812 176.600 -0.093 0.000 1.048 372 K CA 1.495 57.742 56.287 -0.067 0.000 0.929 372 K CB -0.045 32.437 32.500 -0.031 0.000 0.713 372 K HN 0.188 nan 8.250 nan 0.000 0.439 373 Q N 0.345 120.078 119.800 -0.112 0.000 2.123 373 Q HA 0.015 4.356 4.340 0.001 0.000 0.199 373 Q C 0.415 176.315 176.000 -0.166 0.000 0.966 373 Q CA 0.496 56.230 55.803 -0.115 0.000 0.845 373 Q CB 0.026 28.713 28.738 -0.085 0.000 0.907 373 Q HN 0.226 nan 8.270 nan 0.000 0.439 374 A N 1.022 123.671 122.820 -0.286 0.000 2.492 374 A HA 0.045 4.365 4.320 0.001 0.000 0.254 374 A C 0.086 177.565 177.584 -0.175 0.000 1.091 374 A CA -0.190 51.673 52.037 -0.290 0.000 0.768 374 A CB 0.173 18.861 19.000 -0.519 0.000 1.028 374 A HN 0.282 nan 8.150 nan 0.000 0.498 375 N N 0.897 119.523 118.700 -0.122 0.000 2.250 375 N HA 0.115 4.855 4.740 0.001 0.000 0.181 375 N C 0.246 175.713 175.510 -0.072 0.000 1.017 375 N CA 1.060 54.059 53.050 -0.084 0.000 0.866 375 N CB 0.184 38.630 38.487 -0.068 0.000 0.985 375 N HN 0.745 nan 8.380 nan 0.000 0.429 376 I N 0.238 120.765 120.570 -0.073 0.000 2.619 376 I HA 0.352 4.522 4.170 0.001 0.000 0.292 376 I C -1.591 174.516 176.117 -0.017 0.000 1.100 376 I CA -0.767 60.514 61.300 -0.032 0.000 1.043 376 I CB 1.857 39.842 38.000 -0.025 0.000 1.239 376 I HN -0.175 nan 8.210 nan 0.000 0.420 377 I N 7.511 128.108 120.570 0.045 0.000 2.339 377 I HA 0.363 4.533 4.170 0.001 0.000 0.290 377 I C -0.678 175.589 176.117 0.250 0.000 0.994 377 I CA -0.748 60.627 61.300 0.124 0.000 1.191 377 I CB 1.744 39.821 38.000 0.128 0.000 1.343 377 I HN 0.200 nan 8.210 nan 0.000 0.458 378 V N 5.297 125.399 119.914 0.313 0.000 2.398 378 V HA 0.545 4.666 4.120 0.001 0.000 0.286 378 V C -0.013 176.369 176.094 0.480 0.000 1.026 378 V CA -0.234 62.315 62.300 0.415 0.000 0.868 378 V CB 1.795 33.808 31.823 0.317 0.000 0.982 378 V HN 0.778 nan 8.190 nan 0.000 0.443 379 T N 3.003 117.855 114.554 0.496 0.000 2.956 379 T HA 0.281 4.632 4.350 0.001 0.000 0.312 379 T C 0.589 175.296 174.700 0.011 0.000 1.151 379 T CA -0.453 61.861 62.100 0.357 0.000 1.024 379 T CB 1.683 70.810 68.868 0.432 0.000 1.140 379 T HN 0.658 nan 8.240 nan 0.000 0.473 380 N N 2.345 120.951 118.700 -0.157 0.000 2.142 380 N HA 0.085 4.826 4.740 0.001 0.000 0.186 380 N C 0.160 175.478 175.510 -0.320 0.000 1.023 380 N CA 1.233 53.941 53.050 -0.570 0.000 0.852 380 N CB 0.208 38.531 38.487 -0.274 0.000 0.998 380 N HN 0.383 nan 8.380 nan 0.000 0.424 381 R N -0.839 119.611 120.500 -0.085 0.000 2.575 381 R HA 0.283 4.623 4.340 0.001 0.000 0.293 381 R C -1.384 174.997 176.300 0.134 0.000 0.983 381 R CA -0.733 55.367 56.100 0.000 0.000 0.887 381 R CB 0.770 31.071 30.300 0.001 0.000 1.184 381 R HN 0.090 nan 8.270 nan 0.000 0.445 382 Y N 1.751 122.051 120.300 -0.001 0.000 2.426 382 Y HA 0.229 4.780 4.550 0.001 0.000 0.344 382 Y C -0.102 175.837 175.900 0.065 0.000 1.256 382 Y CA 0.632 58.745 58.100 0.021 0.000 1.451 382 Y CB 0.749 39.184 38.460 -0.042 0.000 1.342 382 Y HN 0.514 nan 8.280 nan 0.000 0.600 383 D N 2.874 122.816 120.400 -0.763 0.000 2.947 383 D HA 0.112 4.753 4.640 0.001 0.000 0.224 383 D C -0.198 175.648 176.300 -0.757 0.000 1.230 383 D CA -0.461 53.267 54.000 -0.454 0.000 0.871 383 D CB 1.303 42.068 40.800 -0.058 0.000 1.671 383 D HN 0.647 nan 8.370 nan 0.000 0.507 384 N N 1.505 120.002 118.700 -0.338 0.000 2.258 384 N HA -0.196 4.545 4.740 0.001 0.000 0.187 384 N C 1.266 176.656 175.510 -0.201 0.000 1.012 384 N CA 0.947 53.876 53.050 -0.202 0.000 0.870 384 N CB 0.005 38.462 38.487 -0.051 0.000 0.977 384 N HN 0.672 nan 8.380 nan 0.000 0.434 385 E N 0.410 120.484 120.200 -0.211 0.000 2.526 385 E HA -0.058 4.293 4.350 0.001 0.000 0.198 385 E C 1.147 177.598 176.600 -0.249 0.000 1.091 385 E CA 0.337 56.637 56.400 -0.168 0.000 0.880 385 E CB -0.169 29.473 29.700 -0.098 0.000 0.873 385 E HN 0.362 nan 8.360 nan 0.000 0.527 386 L N 0.446 121.449 121.223 -0.367 0.000 2.693 386 L HA 0.096 4.436 4.340 0.001 0.000 0.235 386 L C 2.425 179.242 176.870 -0.089 0.000 1.127 386 L CA -0.075 54.574 54.840 -0.317 0.000 0.914 386 L CB -0.043 41.719 42.059 -0.494 0.000 1.193 386 L HN 0.204 nan 8.230 nan 0.000 0.502 387 Q N 1.329 121.102 119.800 -0.045 0.000 2.133 387 Q HA -0.280 4.060 4.340 0.001 0.000 0.208 387 Q C 1.529 177.546 176.000 0.029 0.000 0.991 387 Q CA 2.414 58.252 55.803 0.058 0.000 0.867 387 Q CB 0.072 28.830 28.738 0.033 0.000 0.911 387 Q HN 0.637 nan 8.270 nan 0.000 0.417 388 D N -0.677 119.718 120.400 -0.008 0.000 2.348 388 D HA -0.102 4.538 4.640 0.001 0.000 0.216 388 D C 1.304 177.598 176.300 -0.009 0.000 0.970 388 D CA 1.135 55.130 54.000 -0.009 0.000 0.889 388 D CB 0.081 40.870 40.800 -0.019 0.000 0.912 388 D HN 0.294 nan 8.370 nan 0.000 0.524 389 V N -3.441 116.469 119.914 -0.007 0.000 3.159 389 V HA 0.285 4.406 4.120 0.001 0.000 0.333 389 V C 1.855 177.962 176.094 0.023 0.000 1.424 389 V CA -0.525 61.771 62.300 -0.006 0.000 1.125 389 V CB -0.152 31.656 31.823 -0.025 0.000 1.075 389 V HN -0.069 nan 8.190 nan 0.000 0.482 390 K N 1.756 122.185 120.400 0.048 0.000 2.144 390 K HA -0.255 4.065 4.320 0.001 0.000 0.209 390 K C 1.631 178.246 176.600 0.025 0.000 1.047 390 K CA 2.369 58.698 56.287 0.070 0.000 0.927 390 K CB -0.111 32.422 32.500 0.055 0.000 0.716 390 K HN 0.571 nan 8.250 nan 0.000 0.454 391 N N 1.076 119.782 118.700 0.010 0.000 2.573 391 N HA -0.117 4.624 4.740 0.001 0.000 0.187 391 N C 0.675 176.193 175.510 0.013 0.000 1.107 391 N CA 1.107 54.159 53.050 0.002 0.000 0.918 391 N CB 0.177 38.662 38.487 -0.005 0.000 0.966 391 N HN 0.511 nan 8.380 nan 0.000 0.448 392 K N -0.926 119.487 120.400 0.022 0.000 2.478 392 K HA 0.239 4.560 4.320 0.001 0.000 0.205 392 K C -0.380 176.260 176.600 0.066 0.000 1.033 392 K CA -0.178 56.125 56.287 0.027 0.000 1.091 392 K CB 0.510 33.008 32.500 -0.003 0.000 0.844 392 K HN -0.249 nan 8.250 nan 0.000 0.507 393 V N 2.273 122.240 119.914 0.089 0.000 2.439 393 V HA 0.201 4.322 4.120 0.001 0.000 0.282 393 V C -1.160 175.040 176.094 0.177 0.000 1.039 393 V CA -0.715 61.672 62.300 0.145 0.000 0.913 393 V CB 0.502 32.431 31.823 0.177 0.000 0.983 393 V HN 0.281 nan 8.190 nan 0.000 0.460 394 Y N 4.354 124.724 120.300 0.117 0.000 2.328 394 Y HA 0.682 5.233 4.550 0.001 0.000 0.336 394 Y C -0.018 176.025 175.900 0.238 0.000 0.960 394 Y CA 0.042 58.221 58.100 0.131 0.000 1.134 394 Y CB 1.611 40.133 38.460 0.103 0.000 1.166 394 Y HN 0.659 nan 8.280 nan 0.000 0.464 395 S N 5.049 120.536 115.700 -0.355 0.000 2.547 395 S HA 0.521 4.991 4.470 0.001 0.000 0.270 395 S C -0.478 173.904 174.600 -0.363 0.000 1.150 395 S CA -0.843 57.214 58.200 -0.238 0.000 0.850 395 S CB 1.259 64.410 63.200 -0.083 0.000 1.118 395 S HN 0.741 nan 8.310 nan 0.000 0.461 396 R N 1.463 121.802 120.500 -0.268 0.000 2.432 396 R HA 0.241 4.581 4.340 0.001 0.000 0.260 396 R C -0.381 175.812 176.300 -0.177 0.000 0.935 396 R CA -0.278 55.716 56.100 -0.176 0.000 1.080 396 R CB -0.713 29.578 30.300 -0.015 0.000 1.155 396 R HN 0.691 nan 8.270 nan 0.000 0.531 397 D N 0.734 121.011 120.400 -0.206 0.000 2.493 397 D HA -0.014 4.627 4.640 0.001 0.000 0.240 397 D C 1.019 177.192 176.300 -0.213 0.000 1.142 397 D CA 0.485 54.384 54.000 -0.168 0.000 0.872 397 D CB 0.675 41.410 40.800 -0.108 0.000 1.173 397 D HN 0.031 nan 8.370 nan 0.000 0.467 398 I N 1.919 122.323 120.570 -0.278 0.000 3.570 398 I HA 0.005 4.176 4.170 0.001 0.000 0.270 398 I C 1.138 176.951 176.117 -0.507 0.000 1.162 398 I CA -0.152 60.845 61.300 -0.506 0.000 1.413 398 I CB 0.028 37.503 38.000 -0.874 0.000 1.437 398 I HN 0.283 nan 8.210 nan 0.000 0.457 399 F N 1.447 121.350 119.950 -0.078 0.000 2.765 399 F HA 0.344 4.871 4.527 0.001 0.000 0.302 399 F C 1.625 177.396 175.800 -0.049 0.000 1.111 399 F CA 0.296 58.255 58.000 -0.068 0.000 1.359 399 F CB -0.430 38.531 39.000 -0.065 0.000 1.097 399 F HN 0.166 nan 8.300 nan 0.000 0.577 400 G N 1.793 110.643 108.800 0.085 0.000 2.272 400 G HA2 -0.283 3.677 3.960 0.001 0.000 0.280 400 G HA3 -0.283 3.677 3.960 0.001 0.000 0.280 400 G C 0.082 175.017 174.900 0.059 0.000 1.067 400 G CA 0.352 45.492 45.100 0.066 0.000 0.902 400 G HN 0.617 nan 8.290 nan 0.000 0.500 401 R N -1.662 118.868 120.500 0.051 0.000 2.728 401 R HA 0.658 4.999 4.340 0.001 0.000 0.274 401 R C -0.272 176.022 176.300 -0.011 0.000 1.030 401 R CA -0.508 55.605 56.100 0.022 0.000 0.876 401 R CB 0.613 30.928 30.300 0.024 0.000 1.259 401 R HN 0.092 nan 8.270 nan 0.000 0.468 402 D N 0.000 120.383 120.400 -0.029 0.000 6.856 402 D HA 0.000 4.641 4.640 0.001 0.000 0.175 402 D CA 0.000 53.956 54.000 -0.074 0.000 0.868 402 D CB 0.000 40.698 40.800 -0.169 0.000 0.688 402 D HN 0.000 nan 8.370 nan 0.000 0.683