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 3g5i_1_C DATA FIRST_RESID 2 DATA SEQUENCE ALPILLDCDP GHDDAIAIVL ALASPELDVK AITSSAGNQT PEKTLRNVLR DATA SEQUENCE MLTLLNRTDI PVAGGAVKPL MRELXXXXXX XXXXGLDGPA LPEPTFAPQN DATA SEQUENCE CTAVELMAKT LRESAEPVTI VSTGPQTNVA LLLNSHPELH SKIARIVIMG DATA SEQUENCE GAMGLGNWTP AAEFNIYVDP EAAEIVFQSG IPVVMAGLDV THKAQIHVED DATA SEQUENCE TERFRAIGNP VSTIVAELLD FXXXXXXXEK WGFVGAPLHD PCTIAWLLKP DATA SEQUENCE ELFTSVERWV GVETQGKYTQ GMTVVDYYYL TGNKPNATVM VDVDRQGFVD DATA SEQUENCE LLADRLKFYA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.021 0.000 1.274 2 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 L N 3.643 124.851 121.223 -0.025 0.000 2.315 3 L HA 0.511 4.850 4.340 -0.000 0.000 0.283 3 L C -2.004 174.855 176.870 -0.018 0.000 1.089 3 L CA -1.288 53.539 54.840 -0.021 0.000 0.833 3 L CB 0.698 42.742 42.059 -0.025 0.000 1.170 3 L HN 0.481 nan 8.230 nan 0.000 0.442 4 P HA 0.179 nan 4.420 nan 0.000 0.276 4 P C -0.905 176.387 177.300 -0.013 0.000 1.243 4 P CA 0.051 63.142 63.100 -0.014 0.000 0.768 4 P CB 0.570 32.262 31.700 -0.012 0.000 0.856 5 I N 1.036 121.598 120.570 -0.014 0.000 2.828 5 I HA 0.546 4.716 4.170 -0.000 0.000 0.302 5 I C -1.535 174.574 176.117 -0.014 0.000 1.101 5 I CA -1.781 59.512 61.300 -0.013 0.000 1.031 5 I CB 2.310 40.305 38.000 -0.009 0.000 1.231 5 I HN 0.065 nan 8.210 nan 0.000 0.427 6 L N 5.501 126.713 121.223 -0.017 0.000 2.305 6 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 6 L C -0.954 175.904 176.870 -0.019 0.000 1.013 6 L CA -0.788 54.041 54.840 -0.018 0.000 0.819 6 L CB 1.829 43.873 42.059 -0.025 0.000 1.227 6 L HN 0.526 nan 8.230 nan 0.000 0.417 7 L N 3.593 124.808 121.223 -0.013 0.000 2.298 7 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 7 L C -0.902 175.960 176.870 -0.013 0.000 1.013 7 L CA 0.045 54.877 54.840 -0.013 0.000 0.824 7 L CB 1.470 43.525 42.059 -0.006 0.000 1.221 7 L HN 0.459 nan 8.230 nan 0.000 0.418 8 D N 4.405 124.792 120.400 -0.021 0.000 2.408 8 D HA 0.688 5.328 4.640 -0.000 0.000 0.243 8 D C -1.021 175.266 176.300 -0.020 0.000 1.075 8 D CA -0.091 53.897 54.000 -0.021 0.000 0.832 8 D CB 1.030 41.810 40.800 -0.032 0.000 1.162 8 D HN 0.838 nan 8.370 nan 0.000 0.515 9 C N 2.398 121.691 119.300 -0.012 0.000 3.306 9 C HA 0.744 5.204 4.460 -0.000 0.000 0.335 9 C C -1.730 173.261 174.990 0.001 0.000 1.382 9 C CA -0.907 58.107 59.018 -0.006 0.000 1.254 9 C CB 1.646 29.384 27.740 -0.004 0.000 1.555 9 C HN 0.652 nan 8.230 nan 0.000 0.463 10 D N -0.639 119.766 120.400 0.009 0.000 2.613 10 D HA 0.368 5.008 4.640 -0.000 0.000 0.312 10 D C -2.979 173.334 176.300 0.022 0.000 1.202 10 D CA -1.226 52.785 54.000 0.018 0.000 0.825 10 D CB 0.383 41.203 40.800 0.032 0.000 1.113 10 D HN 0.416 nan 8.370 nan 0.000 0.502 11 P HA 0.385 nan 4.420 nan 0.000 0.267 11 P C 0.718 178.039 177.300 0.034 0.000 1.205 11 P CA 0.738 63.853 63.100 0.026 0.000 0.765 11 P CB 0.777 32.489 31.700 0.021 0.000 0.828 12 G N 3.249 112.081 108.800 0.053 0.000 3.402 12 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 12 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 12 G C 0.725 175.693 174.900 0.113 0.000 0.983 12 G CA -0.072 45.077 45.100 0.082 0.000 0.821 12 G HN 0.814 nan 8.290 nan 0.000 0.500 13 H N 1.777 120.863 119.070 0.027 0.000 2.353 13 H HA -0.119 4.436 4.556 -0.000 0.000 0.300 13 H C 1.796 177.149 175.328 0.042 0.000 1.090 13 H CA 2.274 58.345 56.048 0.038 0.000 1.327 13 H CB -0.106 29.691 29.762 0.059 0.000 1.383 13 H HN 0.623 nan 8.280 nan 0.000 0.508 14 D N 0.844 120.937 120.400 -0.511 0.000 2.194 14 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 14 D C 1.196 177.417 176.300 -0.132 0.000 0.964 14 D CA 1.006 54.767 54.000 -0.398 0.000 0.846 14 D CB -0.625 39.989 40.800 -0.309 0.000 0.962 14 D HN 0.417 nan 8.370 nan 0.000 0.490 15 D N 1.571 121.932 120.400 -0.065 0.000 2.117 15 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 15 D C 2.232 178.517 176.300 -0.026 0.000 0.987 15 D CA 2.049 56.034 54.000 -0.025 0.000 0.829 15 D CB -0.252 40.546 40.800 -0.005 0.000 0.961 15 D HN 0.336 nan 8.370 nan 0.000 0.460 16 A N 0.562 123.368 122.820 -0.024 0.000 1.883 16 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 16 A C 2.201 179.760 177.584 -0.041 0.000 1.186 16 A CA 1.151 53.178 52.037 -0.017 0.000 0.624 16 A CB -0.820 18.183 19.000 0.006 0.000 0.822 16 A HN 0.223 nan 8.150 nan 0.000 0.444 17 I N -0.453 120.078 120.570 -0.065 0.000 2.546 17 I HA -0.204 3.966 4.170 -0.000 0.000 0.255 17 I C 2.846 178.925 176.117 -0.063 0.000 1.163 17 I CA 0.769 62.020 61.300 -0.083 0.000 1.457 17 I CB -0.216 37.720 38.000 -0.107 0.000 1.092 17 I HN 0.358 nan 8.210 nan 0.000 0.434 18 A N 0.990 123.787 122.820 -0.038 0.000 1.930 18 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 18 A C 2.269 179.843 177.584 -0.017 0.000 1.175 18 A CA 1.368 53.398 52.037 -0.012 0.000 0.627 18 A CB -0.635 18.366 19.000 0.002 0.000 0.815 18 A HN 0.362 nan 8.150 nan 0.000 0.443 19 I N -0.682 119.876 120.570 -0.020 0.000 2.202 19 I HA -0.189 3.980 4.170 -0.000 0.000 0.242 19 I C 2.361 178.470 176.117 -0.012 0.000 1.091 19 I CA 0.952 62.245 61.300 -0.012 0.000 1.368 19 I CB -0.361 37.637 38.000 -0.005 0.000 1.058 19 I HN 0.140 nan 8.210 nan 0.000 0.410 20 V N 0.966 120.862 119.914 -0.030 0.000 2.278 20 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 20 V C 2.453 178.574 176.094 0.046 0.000 1.062 20 V CA 2.144 64.433 62.300 -0.017 0.000 1.038 20 V CB -0.657 31.107 31.823 -0.098 0.000 0.646 20 V HN 0.388 nan 8.190 nan 0.000 0.447 21 L N 0.596 121.806 121.223 -0.023 0.000 2.046 21 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 21 L C 2.436 179.258 176.870 -0.081 0.000 1.077 21 L CA 2.375 57.183 54.840 -0.053 0.000 0.747 21 L CB -0.996 41.027 42.059 -0.061 0.000 0.896 21 L HN 0.222 nan 8.230 nan 0.000 0.432 22 A N -0.668 122.117 122.820 -0.058 0.000 1.877 22 A HA -0.169 4.150 4.320 -0.000 0.000 0.216 22 A C 2.024 179.529 177.584 -0.132 0.000 1.186 22 A CA 1.954 53.947 52.037 -0.074 0.000 0.620 22 A CB -0.899 18.077 19.000 -0.039 0.000 0.822 22 A HN 0.421 nan 8.150 nan 0.000 0.443 23 L N -0.734 120.422 121.223 -0.110 0.000 2.465 23 L HA 0.060 4.400 4.340 -0.000 0.000 0.224 23 L C 2.424 178.952 176.870 -0.569 0.000 1.145 23 L CA 1.282 56.022 54.840 -0.166 0.000 0.834 23 L CB -0.757 41.309 42.059 0.013 0.000 0.944 23 L HN 0.398 nan 8.230 nan 0.000 0.451 24 A N -2.310 120.121 122.820 -0.649 0.000 2.307 24 A HA 0.254 4.573 4.320 -0.000 0.000 0.218 24 A C 0.903 177.962 177.584 -0.876 0.000 1.228 24 A CA 0.071 51.307 52.037 -1.335 0.000 0.857 24 A CB -0.136 18.461 19.000 -0.672 0.000 0.897 24 A HN 0.209 nan 8.150 nan 0.000 0.495 25 S N 1.099 116.491 115.700 -0.514 0.000 2.667 25 S HA 0.407 4.877 4.470 -0.000 0.000 0.304 25 S C -2.351 172.133 174.600 -0.193 0.000 1.135 25 S CA -0.876 57.166 58.200 -0.264 0.000 1.125 25 S CB 1.501 64.604 63.200 -0.163 0.000 0.996 25 S HN 0.177 nan 8.310 nan 0.000 0.474 26 P HA 0.024 nan 4.420 nan 0.000 0.233 26 P C 0.596 177.868 177.300 -0.047 0.000 1.167 26 P CA 0.501 63.566 63.100 -0.058 0.000 0.770 26 P CB 0.131 31.833 31.700 0.004 0.000 0.837 27 E N -0.493 119.674 120.200 -0.054 0.000 2.333 27 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 27 E C 0.428 176.999 176.600 -0.047 0.000 1.007 27 E CA 0.693 57.064 56.400 -0.047 0.000 0.845 27 E CB -0.431 29.239 29.700 -0.051 0.000 0.766 27 E HN 0.314 nan 8.360 nan 0.000 0.507 28 L N 0.689 121.878 121.223 -0.058 0.000 2.346 28 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 28 L C -0.608 176.235 176.870 -0.046 0.000 1.006 28 L CA -0.990 53.820 54.840 -0.050 0.000 0.817 28 L CB 1.566 43.593 42.059 -0.054 0.000 1.272 28 L HN -0.181 nan 8.230 nan 0.000 0.421 29 D N 2.285 122.666 120.400 -0.032 0.000 2.460 29 D HA 0.254 4.894 4.640 -0.000 0.000 0.232 29 D C -0.760 175.526 176.300 -0.022 0.000 1.079 29 D CA -0.339 53.646 54.000 -0.025 0.000 0.864 29 D CB 1.597 42.386 40.800 -0.019 0.000 1.048 29 D HN 0.060 nan 8.370 nan 0.000 0.523 30 V N 6.280 126.180 119.914 -0.023 0.000 2.415 30 V HA 0.054 4.174 4.120 -0.000 0.000 0.267 30 V C 1.549 177.637 176.094 -0.009 0.000 1.042 30 V CA -0.088 62.202 62.300 -0.016 0.000 1.000 30 V CB 0.931 32.745 31.823 -0.015 0.000 1.015 30 V HN 0.429 nan 8.190 nan 0.000 0.478 31 K N 3.629 124.024 120.400 -0.008 0.000 2.116 31 K HA 0.295 4.615 4.320 -0.000 0.000 0.203 31 K C 0.601 177.203 176.600 0.002 0.000 1.052 31 K CA 1.060 57.343 56.287 -0.006 0.000 0.952 31 K CB 0.237 32.731 32.500 -0.009 0.000 0.729 31 K HN 0.748 nan 8.250 nan 0.000 0.446 32 A N 0.451 123.274 122.820 0.005 0.000 2.605 32 A HA 0.648 4.968 4.320 -0.000 0.000 0.294 32 A C -1.402 176.192 177.584 0.018 0.000 1.062 32 A CA -0.755 51.292 52.037 0.016 0.000 0.682 32 A CB 1.046 20.053 19.000 0.012 0.000 1.278 32 A HN 0.058 nan 8.150 nan 0.000 0.410 33 I N 1.886 122.476 120.570 0.034 0.000 2.436 33 I HA 0.546 4.716 4.170 -0.000 0.000 0.289 33 I C 0.207 176.338 176.117 0.024 0.000 1.010 33 I CA -0.482 60.834 61.300 0.028 0.000 1.098 33 I CB 2.310 40.335 38.000 0.041 0.000 1.266 33 I HN 0.806 nan 8.210 nan 0.000 0.434 34 T N 1.240 115.799 114.554 0.009 0.000 2.930 34 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 34 T C -0.230 174.469 174.700 -0.002 0.000 1.052 34 T CA -0.844 61.257 62.100 0.002 0.000 1.017 34 T CB 1.844 70.710 68.868 -0.004 0.000 1.137 34 T HN 0.555 nan 8.240 nan 0.000 0.511 35 S N 0.770 116.466 115.700 -0.006 0.000 2.454 35 S HA 0.703 5.173 4.470 -0.000 0.000 0.306 35 S C 0.022 174.616 174.600 -0.009 0.000 1.100 35 S CA -0.799 57.398 58.200 -0.006 0.000 1.087 35 S CB 1.006 64.201 63.200 -0.008 0.000 1.019 35 S HN 1.091 nan 8.310 nan 0.000 0.480 36 S N 1.895 117.590 115.700 -0.008 0.000 2.713 36 S HA 0.877 5.347 4.470 -0.000 0.000 0.283 36 S C -0.165 174.434 174.600 -0.002 0.000 1.161 36 S CA -0.906 57.287 58.200 -0.012 0.000 0.999 36 S CB 1.146 64.334 63.200 -0.021 0.000 1.039 36 S HN 1.398 nan 8.310 nan 0.000 0.548 37 A N -0.320 122.497 122.820 -0.005 0.000 2.331 37 A HA 0.864 5.184 4.320 -0.000 0.000 0.320 37 A C 0.606 178.199 177.584 0.015 0.000 1.138 37 A CA -0.174 51.869 52.037 0.009 0.000 0.790 37 A CB 0.832 19.834 19.000 0.003 0.000 1.206 37 A HN 1.528 nan 8.150 nan 0.000 0.470 38 G N 1.007 109.848 108.800 0.068 0.000 4.302 38 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.137 38 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.137 38 G C 0.812 175.875 174.900 0.272 0.000 1.147 38 G CA 0.428 45.623 45.100 0.158 0.000 1.041 38 G HN 0.473 nan 8.290 nan 0.000 0.344 39 N N 0.561 119.368 118.700 0.178 0.000 2.132 39 N HA -0.017 4.723 4.740 -0.000 0.000 0.191 39 N C 0.931 176.448 175.510 0.011 0.000 1.015 39 N CA 1.310 54.361 53.050 0.002 0.000 0.864 39 N CB 0.062 38.543 38.487 -0.010 0.000 1.006 39 N HN 0.367 nan 8.380 nan 0.000 0.430 40 Q N -1.435 118.391 119.800 0.043 0.000 2.831 40 Q HA 0.195 4.535 4.340 -0.000 0.000 0.322 40 Q C -0.521 175.502 176.000 0.038 0.000 0.923 40 Q CA -0.457 55.367 55.803 0.035 0.000 0.767 40 Q CB 1.198 29.949 28.738 0.022 0.000 1.469 40 Q HN 0.244 nan 8.270 nan 0.000 0.496 41 T N -1.360 113.212 114.554 0.029 0.000 2.903 41 T HA 0.140 4.490 4.350 -0.000 0.000 0.314 41 T C -1.667 173.041 174.700 0.012 0.000 1.078 41 T CA -0.830 61.283 62.100 0.021 0.000 1.114 41 T CB 0.303 69.181 68.868 0.017 0.000 0.987 41 T HN 0.320 nan 8.240 nan 0.000 0.548 42 P HA -0.025 nan 4.420 nan 0.000 0.221 42 P C 1.038 178.334 177.300 -0.006 0.000 1.150 42 P CA 0.902 64.002 63.100 -0.000 0.000 0.800 42 P CB 0.134 31.832 31.700 -0.003 0.000 0.787 43 E N 0.563 120.759 120.200 -0.006 0.000 2.077 43 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 43 E C 2.079 178.671 176.600 -0.013 0.000 0.989 43 E CA 1.412 57.804 56.400 -0.012 0.000 0.800 43 E CB -0.452 29.243 29.700 -0.009 0.000 0.746 43 E HN 0.316 nan 8.360 nan 0.000 0.452 44 K N -0.302 120.096 120.400 -0.005 0.000 2.076 44 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 44 K C 2.388 178.986 176.600 -0.003 0.000 1.051 44 K CA 1.600 57.885 56.287 -0.003 0.000 0.949 44 K CB -0.199 32.303 32.500 0.005 0.000 0.726 44 K HN 0.279 nan 8.250 nan 0.000 0.443 45 T N 0.834 115.389 114.554 0.001 0.000 2.746 45 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 45 T C 1.915 176.610 174.700 -0.007 0.000 1.039 45 T CA 0.942 63.044 62.100 0.003 0.000 1.142 45 T CB -0.401 68.472 68.868 0.008 0.000 0.866 45 T HN 0.031 nan 8.240 nan 0.000 0.444 46 L N 1.894 123.107 121.223 -0.017 0.000 1.970 46 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 46 L C 2.845 179.686 176.870 -0.048 0.000 1.071 46 L CA 2.180 56.999 54.840 -0.034 0.000 0.751 46 L CB -0.987 41.047 42.059 -0.041 0.000 0.889 46 L HN 0.311 nan 8.230 nan 0.000 0.432 47 R N -0.649 119.824 120.500 -0.045 0.000 2.113 47 R HA -0.237 4.103 4.340 -0.000 0.000 0.244 47 R C 2.013 178.295 176.300 -0.031 0.000 1.142 47 R CA 2.093 58.163 56.100 -0.049 0.000 0.953 47 R CB -0.366 29.914 30.300 -0.033 0.000 0.860 47 R HN 0.496 nan 8.270 nan 0.000 0.438 48 N N -0.018 118.675 118.700 -0.012 0.000 2.188 48 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 48 N C 1.765 177.283 175.510 0.013 0.000 1.018 48 N CA 1.231 54.284 53.050 0.004 0.000 0.858 48 N CB -0.247 38.247 38.487 0.011 0.000 0.989 48 N HN 0.073 nan 8.380 nan 0.000 0.426 49 V N 1.622 121.542 119.914 0.009 0.000 2.332 49 V HA -0.184 3.935 4.120 -0.000 0.000 0.248 49 V C 2.323 178.453 176.094 0.061 0.000 1.055 49 V CA 1.265 63.583 62.300 0.030 0.000 1.038 49 V CB -0.489 31.347 31.823 0.022 0.000 0.651 49 V HN 0.230 nan 8.190 nan 0.000 0.450 50 L N -0.836 120.384 121.223 -0.004 0.000 2.056 50 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 50 L C 2.787 179.720 176.870 0.105 0.000 1.078 50 L CA 1.525 56.340 54.840 -0.042 0.000 0.749 50 L CB -0.608 41.279 42.059 -0.286 0.000 0.901 50 L HN 0.225 nan 8.230 nan 0.000 0.433 51 R N -0.699 119.830 120.500 0.048 0.000 2.073 51 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 51 R C 2.327 178.670 176.300 0.072 0.000 1.134 51 R CA 1.224 57.359 56.100 0.058 0.000 0.952 51 R CB -0.336 29.979 30.300 0.025 0.000 0.850 51 R HN 0.256 nan 8.270 nan 0.000 0.433 52 M N 0.700 120.335 119.600 0.059 0.000 2.080 52 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 52 M C 2.368 178.704 176.300 0.061 0.000 1.068 52 M CA 1.614 56.938 55.300 0.040 0.000 1.109 52 M CB -0.897 31.719 32.600 0.026 0.000 1.342 52 M HN 0.168 nan 8.290 nan 0.000 0.405 53 L N -0.895 120.405 121.223 0.130 0.000 2.141 53 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 53 L C 2.342 179.261 176.870 0.083 0.000 1.094 53 L CA 1.008 55.919 54.840 0.118 0.000 0.763 53 L CB -0.817 41.366 42.059 0.206 0.000 0.908 53 L HN 0.326 nan 8.230 nan 0.000 0.437 54 T N 0.357 115.025 114.554 0.190 0.000 2.708 54 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 54 T C 1.830 176.561 174.700 0.052 0.000 1.037 54 T CA 1.477 63.655 62.100 0.129 0.000 1.146 54 T CB -0.270 68.706 68.868 0.180 0.000 0.865 54 T HN 0.167 nan 8.240 nan 0.000 0.435 55 L N 0.876 122.122 121.223 0.038 0.000 2.046 55 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 55 L C 1.803 178.662 176.870 -0.019 0.000 1.077 55 L CA 1.742 56.581 54.840 -0.003 0.000 0.747 55 L CB -0.515 41.527 42.059 -0.029 0.000 0.896 55 L HN 0.242 nan 8.230 nan 0.000 0.432 56 L N -0.029 121.186 121.223 -0.013 0.000 2.612 56 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 56 L C 0.486 177.408 176.870 0.088 0.000 1.140 56 L CA -0.022 54.829 54.840 0.018 0.000 0.896 56 L CB -0.557 41.515 42.059 0.021 0.000 1.065 56 L HN 0.373 nan 8.230 nan 0.000 0.447 57 N N 1.500 120.220 118.700 0.033 0.000 2.735 57 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 57 N C -0.110 175.393 175.510 -0.012 0.000 1.083 57 N CA 0.674 53.730 53.050 0.011 0.000 0.703 57 N CB -0.510 38.001 38.487 0.041 0.000 1.005 57 N HN 0.298 nan 8.380 nan 0.000 0.550 58 R N -0.033 120.435 120.500 -0.053 0.000 3.026 58 R HA 0.174 4.514 4.340 -0.000 0.000 0.317 58 R C 1.345 177.482 176.300 -0.272 0.000 1.278 58 R CA 0.021 56.063 56.100 -0.096 0.000 1.407 58 R CB -0.451 29.836 30.300 -0.021 0.000 1.368 58 R HN 0.315 nan 8.270 nan 0.000 0.612 59 T N -2.776 111.510 114.554 -0.447 0.000 3.113 59 T HA -0.107 4.243 4.350 -0.000 0.000 0.263 59 T C 1.138 175.468 174.700 -0.617 0.000 1.143 59 T CA 0.879 62.381 62.100 -0.998 0.000 1.090 59 T CB 0.020 68.340 68.868 -0.915 0.000 0.922 59 T HN 0.300 nan 8.240 nan 0.000 0.521 60 D N 1.258 121.483 120.400 -0.292 0.000 2.312 60 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 60 D C 0.738 176.987 176.300 -0.085 0.000 0.964 60 D CA 0.048 53.962 54.000 -0.144 0.000 0.877 60 D CB -0.308 40.441 40.800 -0.085 0.000 0.924 60 D HN 0.463 nan 8.370 nan 0.000 0.515 61 I N 3.076 123.592 120.570 -0.090 0.000 2.452 61 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 61 I C -2.037 174.119 176.117 0.064 0.000 1.079 61 I CA -1.933 59.362 61.300 -0.008 0.000 1.387 61 I CB 0.874 38.876 38.000 0.004 0.000 1.404 61 I HN -0.217 nan 8.210 nan 0.000 0.522 62 P HA 0.129 nan 4.420 nan 0.000 0.271 62 P C -0.726 176.642 177.300 0.114 0.000 1.216 62 P CA -0.017 63.146 63.100 0.106 0.000 0.771 62 P CB 1.112 32.846 31.700 0.057 0.000 0.864 63 V N 2.499 122.495 119.914 0.137 0.000 2.656 63 V HA 0.768 4.888 4.120 -0.000 0.000 0.307 63 V C 0.036 176.146 176.094 0.028 0.000 1.051 63 V CA -0.680 61.670 62.300 0.083 0.000 0.893 63 V CB 1.815 33.692 31.823 0.090 0.000 0.999 63 V HN 0.808 nan 8.190 nan 0.000 0.426 64 A N 2.664 125.489 122.820 0.010 0.000 2.515 64 A HA 0.892 5.211 4.320 -0.000 0.000 0.298 64 A C -0.064 177.513 177.584 -0.012 0.000 1.059 64 A CA -0.184 51.850 52.037 -0.005 0.000 0.698 64 A CB 1.801 20.802 19.000 0.002 0.000 1.289 64 A HN 1.139 nan 8.150 nan 0.000 0.404 65 G N 0.139 108.928 108.800 -0.018 0.000 2.395 65 G HA2 0.529 4.489 3.960 -0.000 0.000 0.283 65 G HA3 0.529 4.489 3.960 -0.000 0.000 0.283 65 G C 0.364 175.257 174.900 -0.011 0.000 1.178 65 G CA 0.344 45.433 45.100 -0.017 0.000 0.837 65 G HN 1.177 nan 8.290 nan 0.000 0.518 66 G N 0.004 108.798 108.800 -0.010 0.000 2.782 66 G HA2 0.659 4.619 3.960 -0.000 0.000 0.201 66 G HA3 0.659 4.619 3.960 -0.000 0.000 0.201 66 G C 0.494 175.388 174.900 -0.009 0.000 1.374 66 G CA 0.022 45.117 45.100 -0.008 0.000 1.039 66 G HN 1.152 nan 8.290 nan 0.000 0.576 67 A N -0.870 121.944 122.820 -0.011 0.000 2.561 67 A HA 0.338 4.658 4.320 -0.000 0.000 0.234 67 A C 1.442 179.018 177.584 -0.013 0.000 1.055 67 A CA 0.517 52.547 52.037 -0.012 0.000 0.756 67 A CB 0.408 19.397 19.000 -0.018 0.000 0.986 67 A HN 1.606 nan 8.150 nan 0.000 0.505 68 V N -0.573 119.335 119.914 -0.011 0.000 3.649 68 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 68 V C 0.380 176.468 176.094 -0.010 0.000 1.281 68 V CA 1.191 63.486 62.300 -0.008 0.000 1.143 68 V CB -1.789 30.031 31.823 -0.006 0.000 0.892 68 V HN 0.991 nan 8.190 nan 0.000 0.441 69 K N -1.466 118.924 120.400 -0.017 0.000 2.615 69 K HA 0.600 4.920 4.320 -0.000 0.000 0.291 69 K C -3.458 173.120 176.600 -0.036 0.000 1.017 69 K CA -1.781 54.493 56.287 -0.023 0.000 0.882 69 K CB 0.665 33.155 32.500 -0.017 0.000 1.522 69 K HN -0.121 nan 8.250 nan 0.000 0.412 70 P HA 0.054 nan 4.420 nan 0.000 0.270 70 P C 0.787 178.056 177.300 -0.052 0.000 1.227 70 P CA -0.418 62.642 63.100 -0.067 0.000 0.788 70 P CB 0.409 32.053 31.700 -0.094 0.000 0.926 71 L N 0.196 121.388 121.223 -0.052 0.000 2.043 71 L HA -0.177 4.162 4.340 -0.000 0.000 0.212 71 L C 1.679 178.526 176.870 -0.038 0.000 1.075 71 L CA 1.991 56.807 54.840 -0.040 0.000 0.752 71 L CB -0.559 41.477 42.059 -0.037 0.000 0.891 71 L HN 0.452 nan 8.230 nan 0.000 0.432 72 M N -1.803 117.769 119.600 -0.047 0.000 2.511 72 M HA 0.251 4.731 4.480 -0.000 0.000 0.387 72 M C -0.213 176.059 176.300 -0.048 0.000 1.112 72 M CA 0.056 55.331 55.300 -0.042 0.000 0.921 72 M CB 1.178 33.753 32.600 -0.042 0.000 1.501 72 M HN 0.027 nan 8.290 nan 0.000 0.538 73 R N 0.042 120.508 120.500 -0.056 0.000 2.836 73 R HA 0.472 4.812 4.340 -0.000 0.000 0.269 73 R C -0.689 175.586 176.300 -0.041 0.000 1.010 73 R CA -0.990 55.075 56.100 -0.059 0.000 0.930 73 R CB 1.784 32.023 30.300 -0.101 0.000 1.218 73 R HN -0.057 nan 8.270 nan 0.000 0.473 74 E N 1.215 121.401 120.200 -0.024 0.000 2.373 74 E HA 0.071 4.421 4.350 -0.000 0.000 0.263 74 E C -0.034 176.562 176.600 -0.006 0.000 1.073 74 E CA -0.419 55.978 56.400 -0.005 0.000 0.894 74 E CB 0.691 30.402 29.700 0.018 0.000 1.008 74 E HN 0.210 nan 8.360 nan 0.000 0.420 87 L N 2.190 123.434 121.223 0.035 0.000 2.980 87 L HA 0.336 4.676 4.340 -0.000 0.000 0.314 87 L C -0.853 176.033 176.870 0.028 0.000 1.303 87 L CA -0.618 54.253 54.840 0.051 0.000 0.785 87 L CB 0.828 42.913 42.059 0.044 0.000 1.190 87 L HN -0.070 nan 8.230 nan 0.000 0.567 88 D N 0.275 120.680 120.400 0.008 0.000 2.361 88 D HA 0.545 5.185 4.640 -0.000 0.000 0.239 88 D C 1.048 177.332 176.300 -0.026 0.000 1.200 88 D CA 1.342 55.327 54.000 -0.025 0.000 0.915 88 D CB 1.420 42.182 40.800 -0.063 0.000 1.170 88 D HN 0.349 nan 8.370 nan 0.000 0.444 89 G N 0.355 109.126 108.800 -0.048 0.000 2.601 89 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.233 89 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.233 89 G C -2.120 172.772 174.900 -0.013 0.000 1.896 89 G CA -0.301 44.777 45.100 -0.036 0.000 1.514 89 G HN 0.624 nan 8.290 nan 0.000 0.512 90 P HA 0.584 nan 4.420 nan 0.000 0.274 90 P C -0.146 177.155 177.300 0.001 0.000 1.231 90 P CA 0.649 63.754 63.100 0.009 0.000 0.790 90 P CB 1.097 32.808 31.700 0.018 0.000 0.951 91 A N 3.391 126.211 122.820 0.000 0.000 2.444 91 A HA 0.340 4.659 4.320 -0.000 0.000 0.273 91 A C 0.230 177.814 177.584 0.001 0.000 1.136 91 A CA -0.184 51.853 52.037 -0.001 0.000 0.799 91 A CB -0.776 18.223 19.000 -0.001 0.000 1.081 91 A HN 0.524 nan 8.150 nan 0.000 0.509 92 L N 4.357 125.581 121.223 0.002 0.000 2.334 92 L HA 0.501 4.840 4.340 -0.000 0.000 0.272 92 L C -1.696 175.179 176.870 0.008 0.000 1.020 92 L CA -2.030 52.812 54.840 0.004 0.000 0.812 92 L CB 1.714 43.777 42.059 0.006 0.000 1.264 92 L HN 0.565 nan 8.230 nan 0.000 0.439 93 P HA 0.145 nan 4.420 nan 0.000 0.274 93 P C -0.872 176.442 177.300 0.024 0.000 1.231 93 P CA -0.544 62.568 63.100 0.020 0.000 0.790 93 P CB 0.757 32.473 31.700 0.028 0.000 0.951 94 E N 2.034 122.246 120.200 0.021 0.000 2.398 94 E HA 0.155 4.505 4.350 -0.000 0.000 0.263 94 E C -2.000 174.622 176.600 0.035 0.000 1.046 94 E CA -1.569 54.842 56.400 0.018 0.000 0.908 94 E CB -0.567 29.141 29.700 0.013 0.000 0.963 94 E HN 0.332 nan 8.360 nan 0.000 0.431 95 P HA -0.002 nan 4.420 nan 0.000 0.267 95 P C 0.479 177.822 177.300 0.073 0.000 1.205 95 P CA 0.343 63.466 63.100 0.039 0.000 0.765 95 P CB 0.406 32.058 31.700 -0.079 0.000 0.828 96 T N -0.189 114.477 114.554 0.188 0.000 3.069 96 T HA 0.319 4.669 4.350 -0.000 0.000 0.252 96 T C 0.248 175.103 174.700 0.259 0.000 1.053 96 T CA -0.181 62.025 62.100 0.175 0.000 0.964 96 T CB -0.792 68.163 68.868 0.146 0.000 1.005 96 T HN 0.418 nan 8.240 nan 0.000 0.532 97 F N -0.278 119.675 119.950 0.004 0.000 2.692 97 F HA 0.898 5.424 4.527 -0.000 0.000 0.320 97 F C -1.112 174.690 175.800 0.003 0.000 1.123 97 F CA -2.016 55.986 58.000 0.004 0.000 0.961 97 F CB 1.008 40.011 39.000 0.005 0.000 1.383 97 F HN 0.021 nan 8.300 nan 0.000 0.483 98 A N 1.875 124.604 122.820 -0.152 0.000 2.340 98 A HA 0.834 5.154 4.320 -0.000 0.000 0.331 98 A C -2.738 174.706 177.584 -0.233 0.000 1.140 98 A CA -1.922 49.986 52.037 -0.216 0.000 0.801 98 A CB 0.541 19.508 19.000 -0.054 0.000 1.234 98 A HN 0.604 nan 8.150 nan 0.000 0.469 99 P HA 0.136 nan 4.420 nan 0.000 0.272 99 P C -0.728 176.555 177.300 -0.029 0.000 1.240 99 P CA -0.235 62.791 63.100 -0.122 0.000 0.791 99 P CB 0.413 32.045 31.700 -0.112 0.000 0.978 100 Q N 0.854 120.659 119.800 0.009 0.000 2.421 100 Q HA 0.042 4.382 4.340 -0.000 0.000 0.255 100 Q C 0.391 176.393 176.000 0.003 0.000 1.013 100 Q CA 0.120 55.935 55.803 0.020 0.000 0.895 100 Q CB -0.101 28.654 28.738 0.028 0.000 1.271 100 Q HN 0.354 nan 8.270 nan 0.000 0.460 101 N N 1.156 119.859 118.700 0.006 0.000 3.178 101 N HA 0.103 4.843 4.740 -0.000 0.000 0.300 101 N C -1.185 174.327 175.510 0.004 0.000 1.242 101 N CA -0.130 52.921 53.050 0.002 0.000 1.192 101 N CB -0.613 37.876 38.487 0.004 0.000 1.463 101 N HN 0.559 nan 8.380 nan 0.000 0.539 102 C N -1.763 117.538 119.300 0.003 0.000 3.284 102 C HA 0.704 5.163 4.460 -0.000 0.000 0.348 102 C C 0.393 175.384 174.990 0.003 0.000 1.448 102 C CA -1.002 58.020 59.018 0.005 0.000 1.223 102 C CB 0.714 28.459 27.740 0.008 0.000 1.588 102 C HN 0.440 nan 8.230 nan 0.000 0.451 103 T N -0.978 113.580 114.554 0.007 0.000 2.881 103 T HA 0.615 4.965 4.350 -0.000 0.000 0.278 103 T C 1.220 175.923 174.700 0.005 0.000 0.982 103 T CA 0.276 62.379 62.100 0.005 0.000 0.989 103 T CB 1.200 70.074 68.868 0.011 0.000 1.058 103 T HN 1.974 nan 8.240 nan 0.000 0.529 104 A N 0.851 123.672 122.820 0.002 0.000 1.883 104 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 104 A C 2.426 180.012 177.584 0.003 0.000 1.186 104 A CA 1.862 53.899 52.037 0.000 0.000 0.624 104 A CB -1.432 17.566 19.000 -0.004 0.000 0.822 104 A HN 0.755 nan 8.150 nan 0.000 0.444 105 V N 0.173 120.096 119.914 0.015 0.000 2.332 105 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 105 V C 2.428 178.538 176.094 0.026 0.000 1.055 105 V CA 2.419 64.739 62.300 0.034 0.000 1.038 105 V CB -0.927 30.935 31.823 0.065 0.000 0.651 105 V HN 0.653 nan 8.190 nan 0.000 0.450 106 E N -0.346 119.871 120.200 0.028 0.000 2.077 106 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 106 E C 2.124 178.713 176.600 -0.020 0.000 0.989 106 E CA 1.474 57.882 56.400 0.014 0.000 0.800 106 E CB -0.235 29.479 29.700 0.023 0.000 0.746 106 E HN 0.429 nan 8.360 nan 0.000 0.452 107 L N 0.486 121.702 121.223 -0.012 0.000 2.109 107 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 107 L C 2.086 178.938 176.870 -0.030 0.000 1.086 107 L CA 1.526 56.357 54.840 -0.015 0.000 0.760 107 L CB -0.197 41.861 42.059 -0.002 0.000 0.910 107 L HN 0.136 nan 8.230 nan 0.000 0.437 108 M N -0.977 118.603 119.600 -0.034 0.000 2.067 108 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 108 M C 2.322 178.570 176.300 -0.086 0.000 1.069 108 M CA 1.927 57.199 55.300 -0.047 0.000 1.117 108 M CB -0.610 31.968 32.600 -0.036 0.000 1.334 108 M HN 0.411 nan 8.290 nan 0.000 0.407 109 A N 0.530 123.264 122.820 -0.145 0.000 1.883 109 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 109 A C 2.156 179.628 177.584 -0.186 0.000 1.186 109 A CA 2.195 54.056 52.037 -0.293 0.000 0.624 109 A CB -0.824 17.828 19.000 -0.579 0.000 0.822 109 A HN 0.483 nan 8.150 nan 0.000 0.444 110 K N -0.921 119.408 120.400 -0.117 0.000 2.032 110 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 110 K C 2.011 178.579 176.600 -0.053 0.000 1.048 110 K CA 2.040 58.286 56.287 -0.068 0.000 0.927 110 K CB -0.480 31.997 32.500 -0.039 0.000 0.712 110 K HN 0.452 nan 8.250 nan 0.000 0.441 111 T N 2.145 116.670 114.554 -0.048 0.000 2.720 111 T HA -0.134 4.215 4.350 -0.000 0.000 0.268 111 T C 1.864 176.542 174.700 -0.038 0.000 1.037 111 T CA 1.548 63.626 62.100 -0.035 0.000 1.144 111 T CB -0.158 68.692 68.868 -0.029 0.000 0.864 111 T HN 0.179 nan 8.240 nan 0.000 0.444 112 L N 0.177 121.368 121.223 -0.052 0.000 2.017 112 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 112 L C 2.983 179.830 176.870 -0.038 0.000 1.073 112 L CA 1.369 56.182 54.840 -0.044 0.000 0.745 112 L CB -0.519 41.508 42.059 -0.054 0.000 0.894 112 L HN 0.137 nan 8.230 nan 0.000 0.432 113 R N 0.440 120.908 120.500 -0.052 0.000 2.083 113 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 113 R C 2.002 178.288 176.300 -0.023 0.000 1.137 113 R CA 1.958 58.035 56.100 -0.038 0.000 0.951 113 R CB -0.220 30.053 30.300 -0.046 0.000 0.851 113 R HN 0.582 nan 8.270 nan 0.000 0.434 114 E N -0.106 120.080 120.200 -0.023 0.000 2.479 114 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 114 E C 0.184 176.776 176.600 -0.013 0.000 1.049 114 E CA -0.094 56.297 56.400 -0.015 0.000 0.870 114 E CB 0.343 30.035 29.700 -0.014 0.000 0.944 114 E HN -0.078 nan 8.360 nan 0.000 0.492 115 S N 0.240 115.932 115.700 -0.014 0.000 2.564 115 S HA 0.346 4.816 4.470 -0.000 0.000 0.278 115 S C 0.889 175.485 174.600 -0.008 0.000 1.333 115 S CA 0.172 58.365 58.200 -0.011 0.000 1.048 115 S CB 1.322 64.515 63.200 -0.013 0.000 0.900 115 S HN 0.357 nan 8.310 nan 0.000 0.505 116 A N 3.400 126.216 122.820 -0.006 0.000 2.132 116 A HA 0.255 4.575 4.320 -0.000 0.000 0.213 116 A C 0.616 178.198 177.584 -0.003 0.000 1.154 116 A CA 0.441 52.476 52.037 -0.004 0.000 0.753 116 A CB -0.238 18.760 19.000 -0.004 0.000 0.826 116 A HN 0.912 nan 8.150 nan 0.000 0.469 117 E N -0.671 119.527 120.200 -0.004 0.000 2.416 117 E HA 0.559 4.909 4.350 -0.000 0.000 0.273 117 E C -3.192 173.406 176.600 -0.003 0.000 0.935 117 E CA -2.663 53.736 56.400 -0.002 0.000 0.784 117 E CB 0.972 30.670 29.700 -0.003 0.000 1.301 117 E HN -0.112 nan 8.360 nan 0.000 0.454 118 P HA 0.016 nan 4.420 nan 0.000 0.267 118 P C -0.859 176.438 177.300 -0.005 0.000 1.200 118 P CA -0.190 62.909 63.100 -0.001 0.000 0.772 118 P CB 0.583 32.285 31.700 0.003 0.000 0.855 119 V N 2.935 122.843 119.914 -0.010 0.000 2.483 119 V HA 0.289 4.408 4.120 -0.000 0.000 0.295 119 V C 0.355 176.440 176.094 -0.015 0.000 1.035 119 V CA -0.300 61.992 62.300 -0.014 0.000 0.896 119 V CB 1.794 33.606 31.823 -0.019 0.000 0.986 119 V HN 0.474 nan 8.190 nan 0.000 0.447 120 T N 5.909 120.457 114.554 -0.010 0.000 2.771 120 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 120 T C -0.078 174.610 174.700 -0.020 0.000 0.954 120 T CA 0.040 62.135 62.100 -0.007 0.000 1.045 120 T CB 0.337 69.214 68.868 0.016 0.000 0.917 120 T HN 0.364 nan 8.240 nan 0.000 0.484 121 I N 3.445 123.992 120.570 -0.038 0.000 2.331 121 I HA 0.346 4.515 4.170 -0.000 0.000 0.292 121 I C -0.337 175.745 176.117 -0.057 0.000 0.998 121 I CA -0.800 60.469 61.300 -0.051 0.000 1.267 121 I CB 1.374 39.331 38.000 -0.073 0.000 1.386 121 I HN 0.241 nan 8.210 nan 0.000 0.476 122 V N 5.532 125.419 119.914 -0.046 0.000 2.350 122 V HA 0.307 4.427 4.120 -0.000 0.000 0.285 122 V C -0.092 175.969 176.094 -0.056 0.000 1.014 122 V CA -0.450 61.821 62.300 -0.049 0.000 0.831 122 V CB 1.406 33.215 31.823 -0.024 0.000 1.000 122 V HN 0.842 nan 8.190 nan 0.000 0.433 123 S N 1.659 117.312 115.700 -0.078 0.000 2.640 123 S HA 0.435 4.905 4.470 -0.000 0.000 0.320 123 S C 0.430 174.989 174.600 -0.067 0.000 1.097 123 S CA -0.118 58.039 58.200 -0.071 0.000 1.092 123 S CB 1.382 64.529 63.200 -0.088 0.000 0.988 123 S HN 0.846 nan 8.310 nan 0.000 0.470 124 T N -0.202 114.326 114.554 -0.043 0.000 3.129 124 T HA 0.500 4.849 4.350 -0.000 0.000 0.267 124 T C 0.758 175.449 174.700 -0.016 0.000 1.018 124 T CA 0.049 62.130 62.100 -0.031 0.000 0.903 124 T CB 0.056 68.912 68.868 -0.019 0.000 1.067 124 T HN 0.803 nan 8.240 nan 0.000 0.549 125 G N 1.595 110.383 108.800 -0.020 0.000 3.107 125 G HA2 0.706 4.666 3.960 -0.000 0.000 0.232 125 G HA3 0.706 4.666 3.960 -0.000 0.000 0.232 125 G C -3.024 171.852 174.900 -0.040 0.000 1.339 125 G CA -2.108 42.989 45.100 -0.006 0.000 1.033 125 G HN 0.057 nan 8.290 nan 0.000 0.567 126 P HA 0.110 nan 4.420 nan 0.000 0.268 126 P C 0.156 177.405 177.300 -0.084 0.000 1.208 126 P CA -0.028 63.008 63.100 -0.107 0.000 0.777 126 P CB 0.594 32.208 31.700 -0.144 0.000 0.875 127 Q N 0.516 120.263 119.800 -0.089 0.000 2.415 127 Q HA -0.023 4.317 4.340 -0.000 0.000 0.206 127 Q C 1.368 177.326 176.000 -0.071 0.000 0.946 127 Q CA 0.653 56.405 55.803 -0.085 0.000 0.951 127 Q CB -0.930 27.750 28.738 -0.097 0.000 1.026 127 Q HN 0.512 nan 8.270 nan 0.000 0.510 128 T N 1.585 116.100 114.554 -0.066 0.000 2.620 128 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 128 T C 1.512 176.189 174.700 -0.038 0.000 1.044 128 T CA 1.836 63.904 62.100 -0.052 0.000 1.161 128 T CB -0.095 68.742 68.868 -0.052 0.000 0.862 128 T HN 0.367 nan 8.240 nan 0.000 0.438 129 N N 0.641 119.320 118.700 -0.036 0.000 2.216 129 N HA -0.010 4.729 4.740 -0.000 0.000 0.183 129 N C 2.062 177.558 175.510 -0.024 0.000 1.017 129 N CA 0.695 53.731 53.050 -0.023 0.000 0.861 129 N CB -0.650 37.824 38.487 -0.021 0.000 0.986 129 N HN 0.258 nan 8.380 nan 0.000 0.428 130 V N 1.839 121.726 119.914 -0.044 0.000 2.295 130 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 130 V C 2.522 178.587 176.094 -0.048 0.000 1.049 130 V CA 1.798 64.063 62.300 -0.058 0.000 1.024 130 V CB -1.054 30.714 31.823 -0.092 0.000 0.648 130 V HN 0.262 nan 8.190 nan 0.000 0.447 131 A N -0.053 122.738 122.820 -0.048 0.000 1.908 131 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 131 A C 2.237 179.820 177.584 -0.003 0.000 1.181 131 A CA 2.029 54.048 52.037 -0.030 0.000 0.627 131 A CB -0.623 18.359 19.000 -0.030 0.000 0.818 131 A HN 0.508 nan 8.150 nan 0.000 0.445 132 L N -1.245 119.977 121.223 -0.001 0.000 2.012 132 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 132 L C 2.585 179.485 176.870 0.050 0.000 1.073 132 L CA 1.436 56.285 54.840 0.015 0.000 0.748 132 L CB -0.652 41.414 42.059 0.011 0.000 0.891 132 L HN 0.483 nan 8.230 nan 0.000 0.431 133 L N -0.156 121.104 121.223 0.061 0.000 2.012 133 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 133 L C 2.354 179.314 176.870 0.150 0.000 1.073 133 L CA 1.796 56.709 54.840 0.122 0.000 0.748 133 L CB -0.407 41.685 42.059 0.055 0.000 0.891 133 L HN 0.105 nan 8.230 nan 0.000 0.431 134 L N -0.640 120.634 121.223 0.085 0.000 2.017 134 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 134 L C 2.321 179.350 176.870 0.264 0.000 1.073 134 L CA 1.314 56.245 54.840 0.152 0.000 0.745 134 L CB -0.795 41.259 42.059 -0.007 0.000 0.894 134 L HN 0.367 nan 8.230 nan 0.000 0.432 135 N N -0.350 118.419 118.700 0.115 0.000 2.216 135 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 135 N C 2.008 177.521 175.510 0.004 0.000 1.017 135 N CA 1.643 54.729 53.050 0.060 0.000 0.861 135 N CB -0.125 38.376 38.487 0.023 0.000 0.986 135 N HN 0.330 nan 8.380 nan 0.000 0.428 136 S N -0.828 114.858 115.700 -0.023 0.000 2.548 136 S HA 0.050 4.519 4.470 -0.000 0.000 0.215 136 S C 0.417 174.784 174.600 -0.389 0.000 0.976 136 S CA 0.088 58.178 58.200 -0.183 0.000 0.908 136 S CB -0.036 63.046 63.200 -0.196 0.000 0.781 136 S HN 0.232 nan 8.310 nan 0.000 0.519 137 H N 1.740 120.840 119.070 0.049 0.000 2.439 137 H HA 0.318 4.873 4.556 -0.000 0.000 0.230 137 H C -2.199 173.152 175.328 0.038 0.000 1.420 137 H CA -1.430 54.645 56.048 0.045 0.000 1.305 137 H CB 1.193 30.989 29.762 0.057 0.000 1.667 137 H HN 0.370 nan 8.280 nan 0.000 0.515 138 P HA -0.135 nan 4.420 nan 0.000 0.223 138 P C 1.291 178.447 177.300 -0.240 0.000 1.151 138 P CA 0.914 63.776 63.100 -0.397 0.000 0.787 138 P CB 0.458 31.971 31.700 -0.311 0.000 0.788 139 E N 0.640 120.815 120.200 -0.042 0.000 2.482 139 E HA -0.066 4.283 4.350 -0.000 0.000 0.196 139 E C 1.508 178.140 176.600 0.054 0.000 1.047 139 E CA 0.526 56.928 56.400 0.003 0.000 0.869 139 E CB -0.864 28.854 29.700 0.029 0.000 0.836 139 E HN 0.348 nan 8.360 nan 0.000 0.520 140 L N -0.137 121.156 121.223 0.117 0.000 2.693 140 L HA 0.225 4.565 4.340 -0.000 0.000 0.235 140 L C 2.010 178.987 176.870 0.179 0.000 1.127 140 L CA -0.178 54.733 54.840 0.119 0.000 0.914 140 L CB -0.274 41.834 42.059 0.083 0.000 1.193 140 L HN 0.122 nan 8.230 nan 0.000 0.502 141 H N 0.043 119.127 119.070 0.024 0.000 2.422 141 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 141 H C 2.377 177.709 175.328 0.006 0.000 1.098 141 H CA 1.457 57.513 56.048 0.013 0.000 1.315 141 H CB 0.311 30.081 29.762 0.014 0.000 1.382 141 H HN 0.414 nan 8.280 nan 0.000 0.523 142 S N 0.506 116.288 115.700 0.136 0.000 2.507 142 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 142 S C 1.639 176.265 174.600 0.044 0.000 0.988 142 S CA 0.760 59.002 58.200 0.071 0.000 0.944 142 S CB 0.071 63.301 63.200 0.051 0.000 0.762 142 S HN 0.211 nan 8.310 nan 0.000 0.526 143 K N 0.681 121.105 120.400 0.041 0.000 2.374 143 K HA 0.396 4.716 4.320 -0.000 0.000 0.196 143 K C -0.179 176.423 176.600 0.002 0.000 1.023 143 K CA 0.023 56.320 56.287 0.017 0.000 1.103 143 K CB 0.202 32.708 32.500 0.010 0.000 0.848 143 K HN 0.512 nan 8.250 nan 0.000 0.528 144 I N 0.939 121.509 120.570 -0.000 0.000 2.330 144 I HA 0.130 4.299 4.170 -0.000 0.000 0.286 144 I C 1.236 177.340 176.117 -0.021 0.000 1.025 144 I CA -0.410 60.874 61.300 -0.027 0.000 1.197 144 I CB 1.718 39.676 38.000 -0.069 0.000 1.358 144 I HN -0.105 nan 8.210 nan 0.000 0.467 145 A N 7.370 130.183 122.820 -0.013 0.000 1.877 145 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 145 A C 0.997 178.578 177.584 -0.004 0.000 1.186 145 A CA 1.311 53.348 52.037 -0.000 0.000 0.620 145 A CB 0.027 19.033 19.000 0.009 0.000 0.822 145 A HN 0.844 nan 8.150 nan 0.000 0.443 146 R N -2.685 117.803 120.500 -0.020 0.000 2.765 146 R HA 0.612 4.952 4.340 -0.000 0.000 0.277 146 R C -2.065 174.192 176.300 -0.072 0.000 1.028 146 R CA -0.825 55.252 56.100 -0.039 0.000 0.860 146 R CB 0.344 30.647 30.300 0.006 0.000 1.270 146 R HN 0.067 nan 8.270 nan 0.000 0.484 147 I N 1.804 122.299 120.570 -0.125 0.000 2.410 147 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 147 I C -0.649 175.348 176.117 -0.199 0.000 1.009 147 I CA -1.207 59.997 61.300 -0.161 0.000 1.111 147 I CB 2.220 40.093 38.000 -0.212 0.000 1.262 147 I HN 0.286 nan 8.210 nan 0.000 0.443 148 V N 7.264 127.080 119.914 -0.163 0.000 2.370 148 V HA 0.481 4.601 4.120 -0.000 0.000 0.279 148 V C 0.058 176.038 176.094 -0.190 0.000 1.029 148 V CA -0.559 61.618 62.300 -0.206 0.000 0.870 148 V CB 1.336 33.088 31.823 -0.118 0.000 0.984 148 V HN 0.599 nan 8.190 nan 0.000 0.451 149 I N 2.448 122.882 120.570 -0.227 0.000 2.693 149 I HA 0.696 4.866 4.170 -0.000 0.000 0.303 149 I C -0.494 175.538 176.117 -0.142 0.000 1.025 149 I CA -0.825 60.368 61.300 -0.177 0.000 1.086 149 I CB 2.026 39.901 38.000 -0.210 0.000 1.268 149 I HN 0.549 nan 8.210 nan 0.000 0.440 150 M N 5.413 124.957 119.600 -0.093 0.000 2.066 150 M HA 0.732 5.212 4.480 -0.000 0.000 0.340 150 M C -0.588 175.681 176.300 -0.051 0.000 1.053 150 M CA -0.104 55.157 55.300 -0.065 0.000 0.983 150 M CB -0.046 32.537 32.600 -0.029 0.000 1.520 150 M HN 1.058 nan 8.290 nan 0.000 0.428 151 G N 2.249 111.024 108.800 -0.041 0.000 2.387 151 G HA2 0.575 4.535 3.960 -0.000 0.000 0.294 151 G HA3 0.575 4.535 3.960 -0.000 0.000 0.294 151 G C -0.678 174.225 174.900 0.004 0.000 1.509 151 G CA 0.307 45.398 45.100 -0.015 0.000 0.806 151 G HN 1.252 nan 8.290 nan 0.000 0.546 152 G N -1.188 107.618 108.800 0.010 0.000 2.757 152 G HA2 0.556 4.516 3.960 -0.000 0.000 0.638 152 G HA3 0.556 4.516 3.960 -0.000 0.000 0.638 152 G C -0.118 174.774 174.900 -0.013 0.000 1.344 152 G CA 0.635 45.737 45.100 0.004 0.000 0.855 152 G HN 2.701 nan 8.290 nan 0.000 0.537 153 A N -0.782 122.028 122.820 -0.016 0.000 2.512 153 A HA 0.735 5.055 4.320 -0.000 0.000 0.294 153 A C 0.599 178.171 177.584 -0.020 0.000 1.054 153 A CA 0.758 52.788 52.037 -0.012 0.000 0.756 153 A CB 1.440 20.460 19.000 0.034 0.000 1.293 153 A HN 2.167 nan 8.150 nan 0.000 0.395 154 M N 2.587 122.168 119.600 -0.033 0.000 2.132 154 M HA 0.098 4.578 4.480 -0.000 0.000 0.263 154 M C 1.229 177.521 176.300 -0.013 0.000 1.065 154 M CA 2.495 57.770 55.300 -0.041 0.000 1.122 154 M CB -0.125 32.434 32.600 -0.067 0.000 1.365 154 M HN 0.845 nan 8.290 nan 0.000 0.411 155 G N 0.084 108.890 108.800 0.010 0.000 2.714 155 G HA2 0.394 4.354 3.960 -0.000 0.000 0.197 155 G HA3 0.394 4.354 3.960 -0.000 0.000 0.197 155 G C -0.545 174.403 174.900 0.079 0.000 1.449 155 G CA -0.863 44.263 45.100 0.044 0.000 1.065 155 G HN 0.299 nan 8.290 nan 0.000 0.575 156 L N 0.872 122.166 121.223 0.119 0.000 2.483 156 L HA 0.348 4.688 4.340 -0.000 0.000 0.276 156 L C 1.417 178.413 176.870 0.211 0.000 1.213 156 L CA -0.190 54.736 54.840 0.144 0.000 0.843 156 L CB 0.266 42.410 42.059 0.140 0.000 1.107 156 L HN 0.548 nan 8.230 nan 0.000 0.487 157 G N 0.628 109.548 108.800 0.200 0.000 2.562 157 G HA2 0.139 4.099 3.960 -0.000 0.000 0.275 157 G HA3 0.139 4.099 3.960 -0.000 0.000 0.275 157 G C 0.483 175.617 174.900 0.391 0.000 1.196 157 G CA -0.484 44.759 45.100 0.239 0.000 0.908 157 G HN 0.823 nan 8.290 nan 0.000 0.524 158 N N -1.526 117.413 118.700 0.400 0.000 2.205 158 N HA 0.009 4.749 4.740 -0.000 0.000 0.201 158 N C 1.008 176.813 175.510 0.491 0.000 1.128 158 N CA 0.013 53.371 53.050 0.515 0.000 0.867 158 N CB 0.239 38.889 38.487 0.271 0.000 0.996 158 N HN 0.722 nan 8.380 nan 0.000 0.503 159 W N 1.395 122.788 121.300 0.154 0.000 3.412 159 W HA 0.199 4.859 4.660 -0.000 0.000 0.236 159 W C -0.528 175.945 176.519 -0.077 0.000 1.030 159 W CA 1.139 58.515 57.345 0.052 0.000 1.850 159 W CB 0.382 29.874 29.460 0.053 0.000 0.979 159 W HN 0.010 nan 8.180 nan 0.000 0.716 160 T N -2.675 111.847 114.554 -0.053 0.000 2.940 160 T HA 0.388 4.738 4.350 -0.000 0.000 0.288 160 T C -1.830 172.879 174.700 0.015 0.000 1.045 160 T CA -1.449 60.583 62.100 -0.113 0.000 1.018 160 T CB 1.849 70.653 68.868 -0.107 0.000 1.151 160 T HN -0.339 nan 8.240 nan 0.000 0.529 161 P HA -0.047 nan 4.420 nan 0.000 0.217 161 P C 1.195 178.533 177.300 0.062 0.000 1.151 161 P CA 1.560 64.668 63.100 0.014 0.000 0.849 161 P CB -0.138 31.546 31.700 -0.026 0.000 0.787 162 A N -2.320 120.551 122.820 0.084 0.000 2.252 162 A HA 0.560 4.880 4.320 -0.000 0.000 0.213 162 A C 1.051 178.708 177.584 0.122 0.000 1.188 162 A CA 0.540 52.636 52.037 0.099 0.000 0.863 162 A CB -0.064 19.000 19.000 0.107 0.000 0.893 162 A HN 0.214 nan 8.150 nan 0.000 0.495 163 A N -0.047 122.865 122.820 0.154 0.000 2.386 163 A HA 0.595 4.915 4.320 -0.000 0.000 0.311 163 A C -0.431 177.286 177.584 0.222 0.000 1.068 163 A CA -0.512 51.639 52.037 0.191 0.000 0.743 163 A CB 0.925 20.100 19.000 0.292 0.000 1.258 163 A HN 0.151 nan 8.150 nan 0.000 0.429 164 E N 1.783 122.094 120.200 0.184 0.000 2.343 164 E HA 0.179 4.529 4.350 -0.000 0.000 0.269 164 E C 0.311 177.033 176.600 0.204 0.000 1.047 164 E CA -0.462 56.051 56.400 0.189 0.000 0.874 164 E CB 0.655 30.407 29.700 0.088 0.000 1.033 164 E HN 0.583 nan 8.360 nan 0.000 0.409 165 F N 5.292 125.268 119.950 0.042 0.000 2.043 165 F HA -0.337 4.190 4.527 -0.000 0.000 0.297 165 F C 1.617 177.332 175.800 -0.142 0.000 1.118 165 F CA 2.318 60.210 58.000 -0.180 0.000 1.202 165 F CB -0.274 38.502 39.000 -0.373 0.000 0.965 165 F HN 0.517 nan 8.300 nan 0.000 0.482 166 N N 0.628 119.245 118.700 -0.139 0.000 2.104 166 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 166 N C 1.898 177.275 175.510 -0.222 0.000 1.024 166 N CA 1.787 54.707 53.050 -0.217 0.000 0.853 166 N CB -0.422 38.041 38.487 -0.040 0.000 1.008 166 N HN 0.299 nan 8.380 nan 0.000 0.424 167 I N -0.405 120.105 120.570 -0.099 0.000 2.286 167 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 167 I C 2.038 178.113 176.117 -0.069 0.000 1.104 167 I CA 0.753 62.023 61.300 -0.050 0.000 1.397 167 I CB -1.338 36.673 38.000 0.019 0.000 1.072 167 I HN 0.130 nan 8.210 nan 0.000 0.417 168 Y N 1.787 121.983 120.300 -0.173 0.000 2.274 168 Y HA -0.190 4.359 4.550 -0.000 0.000 0.290 168 Y C 2.548 178.304 175.900 -0.240 0.000 1.145 168 Y CA 1.356 59.374 58.100 -0.137 0.000 1.203 168 Y CB -0.171 38.276 38.460 -0.022 0.000 0.984 168 Y HN -0.124 nan 8.280 nan 0.000 0.533 169 V N -0.143 119.540 119.914 -0.384 0.000 2.407 169 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 169 V C 0.367 176.278 176.094 -0.306 0.000 1.055 169 V CA 2.175 64.209 62.300 -0.443 0.000 1.049 169 V CB -0.323 31.099 31.823 -0.668 0.000 0.662 169 V HN 0.388 nan 8.190 nan 0.000 0.455 170 D N -2.172 118.078 120.400 -0.250 0.000 2.668 170 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 170 D C -2.240 173.979 176.300 -0.135 0.000 1.268 170 D CA -1.275 52.619 54.000 -0.176 0.000 0.842 170 D CB 1.631 42.348 40.800 -0.138 0.000 1.399 170 D HN 0.101 nan 8.370 nan 0.000 0.530 171 P HA -0.065 nan 4.420 nan 0.000 0.217 171 P C 1.003 178.272 177.300 -0.053 0.000 1.150 171 P CA 0.972 64.017 63.100 -0.091 0.000 0.832 171 P CB 0.783 32.415 31.700 -0.112 0.000 0.787 172 E N -0.108 120.055 120.200 -0.060 0.000 2.047 172 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 172 E C 2.194 178.781 176.600 -0.023 0.000 0.987 172 E CA 1.482 57.861 56.400 -0.034 0.000 0.799 172 E CB -1.250 28.427 29.700 -0.038 0.000 0.752 172 E HN 0.085 nan 8.360 nan 0.000 0.449 173 A N 1.152 123.948 122.820 -0.039 0.000 1.892 173 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 173 A C 2.392 179.960 177.584 -0.026 0.000 1.188 173 A CA 2.196 54.211 52.037 -0.037 0.000 0.631 173 A CB -1.040 17.928 19.000 -0.055 0.000 0.822 173 A HN 0.296 nan 8.150 nan 0.000 0.447 174 A N -0.369 122.444 122.820 -0.011 0.000 1.908 174 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 174 A C 1.990 179.669 177.584 0.158 0.000 1.181 174 A CA 2.243 54.313 52.037 0.056 0.000 0.627 174 A CB -0.517 18.541 19.000 0.097 0.000 0.818 174 A HN 0.581 nan 8.150 nan 0.000 0.445 175 E N 0.270 120.532 120.200 0.104 0.000 2.110 175 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 175 E C 1.647 178.305 176.600 0.096 0.000 0.988 175 E CA 1.326 57.791 56.400 0.108 0.000 0.804 175 E CB -0.454 29.273 29.700 0.044 0.000 0.745 175 E HN 0.637 nan 8.360 nan 0.000 0.458 176 I N -0.338 120.261 120.570 0.047 0.000 2.127 176 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 176 I C 2.243 178.362 176.117 0.003 0.000 1.075 176 I CA 1.118 62.434 61.300 0.028 0.000 1.334 176 I CB -0.364 37.641 38.000 0.008 0.000 1.040 176 I HN 0.053 nan 8.210 nan 0.000 0.405 177 V N 0.443 120.328 119.914 -0.049 0.000 2.252 177 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 177 V C 2.239 178.229 176.094 -0.174 0.000 1.056 177 V CA 2.122 64.322 62.300 -0.167 0.000 1.022 177 V CB -0.752 30.893 31.823 -0.298 0.000 0.641 177 V HN 0.249 nan 8.190 nan 0.000 0.445 178 F N -0.170 119.727 119.950 -0.089 0.000 2.293 178 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 178 F C 2.474 178.240 175.800 -0.056 0.000 1.086 178 F CA 1.275 59.211 58.000 -0.108 0.000 1.375 178 F CB -0.251 38.645 39.000 -0.174 0.000 1.045 178 F HN 0.173 nan 8.300 nan 0.000 0.516 179 Q N -0.566 119.324 119.800 0.150 0.000 2.360 179 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 179 Q C 2.160 178.218 176.000 0.098 0.000 0.915 179 Q CA 0.707 56.591 55.803 0.136 0.000 0.943 179 Q CB 0.030 28.844 28.738 0.127 0.000 1.064 179 Q HN 0.428 nan 8.270 nan 0.000 0.511 180 S N -0.802 114.931 115.700 0.054 0.000 2.423 180 S HA -0.031 4.438 4.470 -0.000 0.000 0.231 180 S C 1.652 176.297 174.600 0.074 0.000 1.014 180 S CA 1.001 59.229 58.200 0.046 0.000 0.965 180 S CB -0.042 63.123 63.200 -0.059 0.000 0.785 180 S HN 0.507 nan 8.310 nan 0.000 0.495 181 G N 0.653 109.486 108.800 0.056 0.000 2.194 181 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.236 181 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.236 181 G C 0.014 174.932 174.900 0.030 0.000 0.987 181 G CA 0.085 45.225 45.100 0.065 0.000 0.635 181 G HN 0.578 nan 8.290 nan 0.000 0.520 182 I N 2.644 123.197 120.570 -0.028 0.000 2.395 182 I HA 0.337 4.506 4.170 -0.000 0.000 0.289 182 I C -1.786 174.292 176.117 -0.065 0.000 1.023 182 I CA -2.256 59.005 61.300 -0.065 0.000 1.350 182 I CB 1.238 39.145 38.000 -0.155 0.000 1.409 182 I HN -0.139 nan 8.210 nan 0.000 0.507 183 P HA 0.052 nan 4.420 nan 0.000 0.264 183 P C -0.900 176.338 177.300 -0.102 0.000 1.193 183 P CA 0.045 63.121 63.100 -0.040 0.000 0.763 183 P CB 0.483 32.178 31.700 -0.007 0.000 0.810 184 V N 4.640 124.476 119.914 -0.131 0.000 2.628 184 V HA 0.377 4.496 4.120 -0.000 0.000 0.306 184 V C 0.082 176.036 176.094 -0.233 0.000 1.045 184 V CA -0.615 61.540 62.300 -0.243 0.000 0.905 184 V CB 2.320 33.893 31.823 -0.416 0.000 0.997 184 V HN 0.196 nan 8.190 nan 0.000 0.436 185 V N 5.334 125.051 119.914 -0.328 0.000 2.495 185 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 185 V C -0.249 175.600 176.094 -0.410 0.000 1.031 185 V CA -0.479 61.535 62.300 -0.475 0.000 0.871 185 V CB 1.723 33.029 31.823 -0.862 0.000 0.988 185 V HN 0.907 nan 8.190 nan 0.000 0.432 186 M N 4.591 123.988 119.600 -0.337 0.000 2.134 186 M HA 0.747 5.227 4.480 -0.000 0.000 0.310 186 M C -0.372 175.783 176.300 -0.241 0.000 0.966 186 M CA -0.612 54.568 55.300 -0.200 0.000 0.922 186 M CB 1.432 34.027 32.600 -0.008 0.000 1.537 186 M HN 0.726 nan 8.290 nan 0.000 0.424 187 A N 4.578 127.264 122.820 -0.223 0.000 2.736 187 A HA 0.667 4.986 4.320 -0.000 0.000 0.335 187 A C 0.265 177.788 177.584 -0.102 0.000 1.446 187 A CA -0.394 51.529 52.037 -0.190 0.000 1.028 187 A CB -0.402 18.475 19.000 -0.205 0.000 1.154 187 A HN 0.968 nan 8.150 nan 0.000 0.507 188 G N -0.077 108.673 108.800 -0.083 0.000 2.532 188 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 188 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 188 G C 0.890 175.739 174.900 -0.085 0.000 1.349 188 G CA -0.787 44.274 45.100 -0.064 0.000 1.038 188 G HN 0.520 nan 8.290 nan 0.000 0.518 189 L N -0.020 121.124 121.223 -0.130 0.000 2.261 189 L HA -0.102 4.237 4.340 -0.000 0.000 0.216 189 L C 2.296 179.039 176.870 -0.212 0.000 1.114 189 L CA 1.097 55.750 54.840 -0.313 0.000 0.777 189 L CB -0.418 41.371 42.059 -0.450 0.000 0.910 189 L HN 0.528 nan 8.230 nan 0.000 0.440 190 D N -0.248 120.106 120.400 -0.077 0.000 2.123 190 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 190 D C 2.138 178.439 176.300 0.002 0.000 0.992 190 D CA 1.546 55.539 54.000 -0.011 0.000 0.833 190 D CB -0.006 40.784 40.800 -0.017 0.000 0.954 190 D HN 0.286 nan 8.370 nan 0.000 0.455 191 V N 1.245 121.147 119.914 -0.019 0.000 2.575 191 V HA -0.134 3.986 4.120 -0.000 0.000 0.242 191 V C 2.697 178.759 176.094 -0.052 0.000 1.045 191 V CA 2.020 64.322 62.300 0.003 0.000 1.065 191 V CB -0.089 31.773 31.823 0.066 0.000 0.717 191 V HN 0.294 nan 8.190 nan 0.000 0.467 192 T N -2.993 111.508 114.554 -0.088 0.000 2.881 192 T HA -0.269 4.080 4.350 -0.000 0.000 0.270 192 T C 1.615 176.195 174.700 -0.200 0.000 1.068 192 T CA 2.022 64.026 62.100 -0.160 0.000 1.131 192 T CB -0.818 68.020 68.868 -0.049 0.000 0.871 192 T HN 0.739 nan 8.240 nan 0.000 0.479 193 H N 0.501 119.459 119.070 -0.186 0.000 2.529 193 H HA 0.216 4.772 4.556 -0.000 0.000 0.277 193 H C 2.147 177.352 175.328 -0.206 0.000 0.999 193 H CA 0.444 56.325 56.048 -0.278 0.000 1.256 193 H CB 0.258 30.006 29.762 -0.025 0.000 1.402 193 H HN 0.400 nan 8.280 nan 0.000 0.566 194 K N 0.512 120.909 120.400 -0.006 0.000 2.305 194 K HA 0.124 4.444 4.320 -0.000 0.000 0.199 194 K C 1.063 177.609 176.600 -0.091 0.000 1.047 194 K CA 0.337 56.612 56.287 -0.021 0.000 0.976 194 K CB 0.614 33.109 32.500 -0.008 0.000 0.765 194 K HN 0.043 nan 8.250 nan 0.000 0.474 195 A N 2.414 125.120 122.820 -0.189 0.000 3.135 195 A HA 0.082 4.402 4.320 -0.000 0.000 0.253 195 A C -0.383 177.148 177.584 -0.089 0.000 1.638 195 A CA -0.219 51.653 52.037 -0.276 0.000 1.295 195 A CB -0.363 18.229 19.000 -0.679 0.000 1.106 195 A HN 0.207 nan 8.150 nan 0.000 0.648 196 Q N 0.388 120.173 119.800 -0.025 0.000 2.259 196 Q HA 0.425 4.765 4.340 -0.000 0.000 0.246 196 Q C -0.565 175.515 176.000 0.134 0.000 0.920 196 Q CA -0.280 55.542 55.803 0.031 0.000 0.895 196 Q CB 1.543 30.328 28.738 0.078 0.000 1.220 196 Q HN 0.439 nan 8.270 nan 0.000 0.439 197 I N 2.738 123.403 120.570 0.157 0.000 2.330 197 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 197 I C 0.185 176.421 176.117 0.199 0.000 1.001 197 I CA -0.283 61.103 61.300 0.144 0.000 1.193 197 I CB 0.531 38.647 38.000 0.193 0.000 1.345 197 I HN 0.587 nan 8.210 nan 0.000 0.461 198 H N 3.884 122.937 119.070 -0.028 0.000 2.508 198 H HA 0.214 4.770 4.556 -0.000 0.000 0.358 198 H C 1.382 176.675 175.328 -0.058 0.000 1.212 198 H CA -0.816 55.213 56.048 -0.032 0.000 1.356 198 H CB 2.396 32.137 29.762 -0.034 0.000 1.525 198 H HN 0.457 nan 8.280 nan 0.000 0.578 199 V N -0.152 119.811 119.914 0.082 0.000 2.380 199 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 199 V C 1.435 177.519 176.094 -0.015 0.000 1.063 199 V CA 1.944 64.257 62.300 0.022 0.000 1.055 199 V CB -0.540 31.290 31.823 0.011 0.000 0.657 199 V HN 0.664 nan 8.190 nan 0.000 0.455 200 E N 0.937 121.133 120.200 -0.005 0.000 2.110 200 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 200 E C 1.959 178.462 176.600 -0.162 0.000 0.988 200 E CA 1.605 57.973 56.400 -0.054 0.000 0.804 200 E CB -0.464 29.223 29.700 -0.022 0.000 0.745 200 E HN 0.722 nan 8.360 nan 0.000 0.458 201 D N -0.278 119.984 120.400 -0.230 0.000 2.117 201 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 201 D C 1.772 177.583 176.300 -0.815 0.000 0.982 201 D CA 1.373 55.044 54.000 -0.549 0.000 0.828 201 D CB -0.456 40.046 40.800 -0.497 0.000 0.967 201 D HN 0.154 nan 8.370 nan 0.000 0.464 202 T N 1.369 115.691 114.554 -0.386 0.000 2.821 202 T HA -0.099 4.250 4.350 -0.000 0.000 0.267 202 T C 1.669 176.309 174.700 -0.100 0.000 1.046 202 T CA 0.865 62.867 62.100 -0.164 0.000 1.139 202 T CB 0.062 68.939 68.868 0.015 0.000 0.871 202 T HN 0.073 nan 8.240 nan 0.000 0.454 203 E N 1.144 121.276 120.200 -0.112 0.000 2.072 203 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 203 E C 2.245 178.808 176.600 -0.063 0.000 0.985 203 E CA 0.731 57.098 56.400 -0.055 0.000 0.801 203 E CB -0.313 29.362 29.700 -0.042 0.000 0.750 203 E HN 0.432 nan 8.360 nan 0.000 0.452 204 R N 0.020 120.427 120.500 -0.155 0.000 2.097 204 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 204 R C 2.268 178.579 176.300 0.018 0.000 1.135 204 R CA 1.718 57.745 56.100 -0.121 0.000 0.934 204 R CB -0.339 29.819 30.300 -0.236 0.000 0.846 204 R HN 0.068 nan 8.270 nan 0.000 0.431 205 F N 0.730 120.682 119.950 0.003 0.000 2.091 205 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 205 F C 2.610 178.420 175.800 0.016 0.000 1.103 205 F CA 1.628 59.632 58.000 0.006 0.000 1.228 205 F CB -1.063 37.938 39.000 0.003 0.000 0.984 205 F HN 0.141 nan 8.300 nan 0.000 0.477 206 R N 0.461 121.075 120.500 0.191 0.000 2.115 206 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 206 R C 2.084 178.435 176.300 0.084 0.000 1.111 206 R CA 1.098 57.269 56.100 0.118 0.000 0.976 206 R CB -0.369 29.981 30.300 0.083 0.000 0.870 206 R HN 0.221 nan 8.270 nan 0.000 0.445 207 A N 0.503 123.366 122.820 0.072 0.000 2.206 207 A HA 0.019 4.338 4.320 -0.000 0.000 0.211 207 A C 1.891 179.512 177.584 0.061 0.000 1.158 207 A CA 0.468 52.536 52.037 0.052 0.000 0.761 207 A CB -0.300 18.719 19.000 0.031 0.000 0.801 207 A HN 0.330 nan 8.150 nan 0.000 0.473 208 I N -0.658 119.964 120.570 0.088 0.000 2.361 208 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 208 I C 1.743 177.901 176.117 0.067 0.000 1.133 208 I CA 1.124 62.475 61.300 0.085 0.000 1.413 208 I CB -0.355 37.714 38.000 0.115 0.000 1.073 208 I HN 0.490 nan 8.210 nan 0.000 0.424 209 G N 2.528 111.367 108.800 0.064 0.000 2.204 209 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.244 209 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.244 209 G C -0.278 174.651 174.900 0.048 0.000 1.062 209 G CA 0.371 45.500 45.100 0.049 0.000 0.798 209 G HN 0.638 nan 8.290 nan 0.000 0.496 210 N N -1.979 116.756 118.700 0.058 0.000 2.405 210 N HA 0.778 5.518 4.740 -0.000 0.000 0.285 210 N C -1.771 173.764 175.510 0.042 0.000 1.262 210 N CA -2.090 50.995 53.050 0.058 0.000 0.773 210 N CB 1.375 39.916 38.487 0.090 0.000 1.490 210 N HN -0.122 nan 8.380 nan 0.000 0.486 211 P HA -0.104 nan 4.420 nan 0.000 0.219 211 P C 0.967 178.251 177.300 -0.028 0.000 1.146 211 P CA 0.711 63.812 63.100 0.003 0.000 0.808 211 P CB 0.287 31.986 31.700 -0.001 0.000 0.779 212 V N 0.057 119.936 119.914 -0.057 0.000 2.346 212 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 212 V C 2.479 178.523 176.094 -0.085 0.000 1.037 212 V CA 2.294 64.497 62.300 -0.162 0.000 1.029 212 V CB -1.519 30.037 31.823 -0.446 0.000 0.663 212 V HN 0.237 nan 8.190 nan 0.000 0.454 213 S N -0.464 115.233 115.700 -0.005 0.000 2.399 213 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 213 S C 1.916 176.544 174.600 0.047 0.000 1.022 213 S CA 1.820 60.035 58.200 0.025 0.000 0.983 213 S CB -0.803 62.445 63.200 0.080 0.000 0.803 213 S HN 0.554 nan 8.310 nan 0.000 0.480 214 T N 3.035 117.612 114.554 0.038 0.000 2.708 214 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 214 T C 1.716 176.437 174.700 0.035 0.000 1.037 214 T CA 1.354 63.480 62.100 0.043 0.000 1.146 214 T CB -0.347 68.540 68.868 0.032 0.000 0.865 214 T HN 0.268 nan 8.240 nan 0.000 0.435 215 I N 1.062 121.636 120.570 0.006 0.000 2.142 215 I HA -0.103 4.067 4.170 -0.000 0.000 0.240 215 I C 2.615 178.744 176.117 0.020 0.000 1.078 215 I CA 0.989 62.290 61.300 0.002 0.000 1.343 215 I CB -1.494 36.486 38.000 -0.033 0.000 1.046 215 I HN 0.106 nan 8.210 nan 0.000 0.405 216 V N 1.494 121.404 119.914 -0.006 0.000 2.324 216 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 216 V C 2.823 178.971 176.094 0.090 0.000 1.060 216 V CA 1.976 64.274 62.300 -0.003 0.000 1.042 216 V CB -1.200 30.557 31.823 -0.110 0.000 0.650 216 V HN 0.485 nan 8.190 nan 0.000 0.450 217 A N -0.549 122.348 122.820 0.128 0.000 1.877 217 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 217 A C 2.164 179.834 177.584 0.142 0.000 1.186 217 A CA 1.857 54.005 52.037 0.184 0.000 0.620 217 A CB -0.522 18.582 19.000 0.173 0.000 0.822 217 A HN 0.613 nan 8.150 nan 0.000 0.443 218 E N -0.222 120.042 120.200 0.106 0.000 2.204 218 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 218 E C 1.875 178.546 176.600 0.118 0.000 0.990 218 E CA 0.925 57.381 56.400 0.094 0.000 0.821 218 E CB -0.271 29.467 29.700 0.062 0.000 0.750 218 E HN 0.654 nan 8.360 nan 0.000 0.477 219 L N 0.168 121.471 121.223 0.134 0.000 1.961 219 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 219 L C 2.381 179.381 176.870 0.217 0.000 1.075 219 L CA 1.029 55.980 54.840 0.183 0.000 0.749 219 L CB -0.523 41.670 42.059 0.224 0.000 0.890 219 L HN 0.146 nan 8.230 nan 0.000 0.433 220 L N -0.247 121.120 121.223 0.240 0.000 2.261 220 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 220 L C 2.021 178.980 176.870 0.147 0.000 1.114 220 L CA 0.752 55.724 54.840 0.220 0.000 0.777 220 L CB -0.702 41.502 42.059 0.242 0.000 0.910 220 L HN 0.278 nan 8.230 nan 0.000 0.440 221 D N -0.568 119.921 120.400 0.149 0.000 2.104 221 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 221 D C 0.710 177.101 176.300 0.152 0.000 0.994 221 D CA 1.240 55.319 54.000 0.132 0.000 0.830 221 D CB 0.064 40.945 40.800 0.135 0.000 0.959 221 D HN 0.118 nan 8.370 nan 0.000 0.452 231 K N 1.132 121.494 120.400 -0.063 0.000 2.366 231 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 231 K C 1.431 177.834 176.600 -0.328 0.000 1.044 231 K CA 0.390 56.550 56.287 -0.213 0.000 0.973 231 K CB 0.120 32.435 32.500 -0.308 0.000 0.767 231 K HN 0.123 nan 8.250 nan 0.000 0.475 232 W N 1.911 122.946 121.300 -0.441 0.000 2.467 232 W HA 0.006 4.666 4.660 -0.000 0.000 0.275 232 W C 0.807 176.908 176.519 -0.698 0.000 1.239 232 W CA 1.881 58.785 57.345 -0.735 0.000 1.266 232 W CB -0.272 28.289 29.460 -1.498 0.000 1.112 232 W HN 0.483 nan 8.180 nan 0.000 0.576 233 G N 1.040 109.656 108.800 -0.306 0.000 2.295 233 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 233 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 233 G C -0.320 174.529 174.900 -0.085 0.000 1.055 233 G CA -0.368 44.634 45.100 -0.164 0.000 0.922 233 G HN -0.012 nan 8.290 nan 0.000 0.503 234 F N -1.061 118.907 119.950 0.031 0.000 2.471 234 F HA 0.361 4.888 4.527 -0.000 0.000 0.353 234 F C 1.795 177.564 175.800 -0.052 0.000 1.113 234 F CA -0.455 57.534 58.000 -0.018 0.000 1.262 234 F CB 0.989 39.958 39.000 -0.053 0.000 1.146 234 F HN -0.072 nan 8.300 nan 0.000 0.578 235 V N 1.651 121.636 119.914 0.119 0.000 2.453 235 V HA 0.063 4.183 4.120 -0.000 0.000 0.247 235 V C 1.264 177.262 176.094 -0.159 0.000 1.048 235 V CA 1.729 63.971 62.300 -0.098 0.000 1.049 235 V CB -0.815 30.855 31.823 -0.255 0.000 0.672 235 V HN 0.908 nan 8.190 nan 0.000 0.457 236 G N -1.761 107.013 108.800 -0.044 0.000 2.921 236 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 236 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 236 G C -1.171 173.757 174.900 0.047 0.000 1.370 236 G CA -0.141 44.980 45.100 0.034 0.000 0.847 236 G HN 0.349 nan 8.290 nan 0.000 0.532 237 A N 1.235 124.074 122.820 0.033 0.000 2.362 237 A HA 0.709 5.029 4.320 -0.000 0.000 0.276 237 A C -2.111 175.392 177.584 -0.134 0.000 1.153 237 A CA -1.232 50.782 52.037 -0.038 0.000 0.813 237 A CB 0.154 19.171 19.000 0.028 0.000 1.081 237 A HN 0.388 nan 8.150 nan 0.000 0.507 238 P HA 0.094 nan 4.420 nan 0.000 0.266 238 P C -0.811 176.265 177.300 -0.375 0.000 1.195 238 P CA -0.001 62.810 63.100 -0.482 0.000 0.768 238 P CB 0.657 31.894 31.700 -0.772 0.000 0.838 239 L N 4.546 125.615 121.223 -0.257 0.000 2.324 239 L HA 0.251 4.591 4.340 -0.000 0.000 0.274 239 L C 1.266 178.056 176.870 -0.133 0.000 1.012 239 L CA -0.263 54.528 54.840 -0.081 0.000 0.859 239 L CB 0.014 42.197 42.059 0.207 0.000 1.224 239 L HN 0.360 nan 8.230 nan 0.000 0.429 240 H N 1.896 120.953 119.070 -0.020 0.000 2.266 240 H HA 0.014 4.570 4.556 -0.000 0.000 0.308 240 H C 0.493 175.806 175.328 -0.026 0.000 1.057 240 H CA 1.718 57.739 56.048 -0.044 0.000 1.330 240 H CB 0.306 30.037 29.762 -0.051 0.000 1.400 240 H HN 0.577 nan 8.280 nan 0.000 0.503 241 D N 0.751 121.220 120.400 0.115 0.000 2.144 241 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 241 D C -0.763 175.577 176.300 0.067 0.000 0.984 241 D CA 0.738 54.770 54.000 0.054 0.000 0.834 241 D CB -1.539 39.272 40.800 0.018 0.000 0.955 241 D HN 0.350 nan 8.370 nan 0.000 0.465 242 P HA -0.047 nan 4.420 nan 0.000 0.226 242 P C 1.047 178.527 177.300 0.299 0.000 1.146 242 P CA 0.606 63.815 63.100 0.183 0.000 0.773 242 P CB -0.093 31.732 31.700 0.209 0.000 0.772 243 C N -1.116 118.311 119.300 0.213 0.000 2.422 243 C HA -0.136 4.324 4.460 -0.000 0.000 0.279 243 C C 2.777 177.772 174.990 0.008 0.000 1.305 243 C CA 1.930 61.030 59.018 0.136 0.000 1.757 243 C CB -1.886 25.832 27.740 -0.036 0.000 1.962 243 C HN 0.383 nan 8.230 nan 0.000 0.499 244 T N 0.336 114.886 114.554 -0.007 0.000 2.684 244 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 244 T C 1.590 176.338 174.700 0.080 0.000 1.036 244 T CA 1.577 63.664 62.100 -0.022 0.000 1.148 244 T CB -0.356 68.490 68.868 -0.037 0.000 0.863 244 T HN 0.311 nan 8.240 nan 0.000 0.436 245 I N 2.635 123.259 120.570 0.091 0.000 2.252 245 I HA 0.025 4.195 4.170 -0.000 0.000 0.245 245 I C 3.233 179.432 176.117 0.137 0.000 1.102 245 I CA 1.119 62.475 61.300 0.093 0.000 1.385 245 I CB -1.905 36.129 38.000 0.056 0.000 1.064 245 I HN 0.368 nan 8.210 nan 0.000 0.414 246 A N 0.120 123.081 122.820 0.235 0.000 1.948 246 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 246 A C 2.246 180.043 177.584 0.355 0.000 1.177 246 A CA 1.879 54.132 52.037 0.360 0.000 0.636 246 A CB -1.360 18.048 19.000 0.679 0.000 0.815 246 A HN 0.637 nan 8.150 nan 0.000 0.449 247 W N 0.278 121.545 121.300 -0.054 0.000 2.436 247 W HA -0.028 4.632 4.660 -0.000 0.000 0.284 247 W C 1.622 178.104 176.519 -0.061 0.000 1.225 247 W CA 1.428 58.621 57.345 -0.252 0.000 1.271 247 W CB -0.116 28.934 29.460 -0.683 0.000 1.114 247 W HN 0.244 nan 8.180 nan 0.000 0.559 248 L N 0.033 121.277 121.223 0.036 0.000 2.109 248 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 248 L C 2.333 179.113 176.870 -0.150 0.000 1.086 248 L CA 0.994 55.770 54.840 -0.107 0.000 0.760 248 L CB -0.714 41.367 42.059 0.037 0.000 0.910 248 L HN 0.064 nan 8.230 nan 0.000 0.437 249 L N -0.856 120.336 121.223 -0.052 0.000 2.095 249 L HA -0.036 4.303 4.340 -0.000 0.000 0.204 249 L C 0.644 177.484 176.870 -0.050 0.000 1.080 249 L CA 0.966 55.782 54.840 -0.041 0.000 0.759 249 L CB -0.011 42.050 42.059 0.005 0.000 0.914 249 L HN 0.109 nan 8.230 nan 0.000 0.439 250 K N -0.082 120.316 120.400 -0.004 0.000 2.992 250 K HA 0.239 4.558 4.320 -0.000 0.000 0.178 250 K C -2.133 174.501 176.600 0.057 0.000 1.122 250 K CA -1.304 54.992 56.287 0.015 0.000 0.926 250 K CB 1.134 33.672 32.500 0.063 0.000 1.121 250 K HN -0.116 nan 8.250 nan 0.000 0.610 251 P HA -0.227 nan 4.420 nan 0.000 0.219 251 P C 1.017 178.370 177.300 0.089 0.000 1.146 251 P CA 1.262 64.215 63.100 -0.246 0.000 0.808 251 P CB 0.348 31.674 31.700 -0.624 0.000 0.779 252 E N 0.717 120.936 120.200 0.032 0.000 2.333 252 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 252 E C 1.950 178.575 176.600 0.040 0.000 1.007 252 E CA 0.635 57.061 56.400 0.045 0.000 0.845 252 E CB -1.145 28.559 29.700 0.007 0.000 0.766 252 E HN 0.315 nan 8.360 nan 0.000 0.507 253 L N -0.246 120.994 121.223 0.028 0.000 2.275 253 L HA 0.030 4.370 4.340 -0.000 0.000 0.215 253 L C 0.654 177.303 176.870 -0.368 0.000 1.119 253 L CA 0.616 55.344 54.840 -0.186 0.000 0.790 253 L CB -0.178 41.698 42.059 -0.306 0.000 0.919 253 L HN -0.027 nan 8.230 nan 0.000 0.443 254 F N -1.280 118.733 119.950 0.105 0.000 2.470 254 F HA 0.323 4.850 4.527 -0.000 0.000 0.329 254 F C 0.524 176.399 175.800 0.125 0.000 1.072 254 F CA -0.767 57.316 58.000 0.139 0.000 0.989 254 F CB 1.413 40.580 39.000 0.278 0.000 1.193 254 F HN -0.383 nan 8.300 nan 0.000 0.481 255 T N 1.287 116.006 114.554 0.274 0.000 2.794 255 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 255 T C -0.613 174.214 174.700 0.211 0.000 0.987 255 T CA -0.781 61.439 62.100 0.200 0.000 0.993 255 T CB 1.244 70.188 68.868 0.126 0.000 0.939 255 T HN 0.673 nan 8.240 nan 0.000 0.449 256 S N 0.895 116.705 115.700 0.184 0.000 2.618 256 S HA 0.860 5.329 4.470 -0.000 0.000 0.277 256 S C -0.696 173.963 174.600 0.099 0.000 1.138 256 S CA -0.948 57.331 58.200 0.131 0.000 0.844 256 S CB 1.440 64.718 63.200 0.130 0.000 1.127 256 S HN 0.841 nan 8.310 nan 0.000 0.474 257 V N -1.357 118.594 119.914 0.060 0.000 2.823 257 V HA 0.755 4.875 4.120 -0.000 0.000 0.312 257 V C -1.050 175.049 176.094 0.008 0.000 1.072 257 V CA -0.859 61.456 62.300 0.025 0.000 0.937 257 V CB 1.826 33.635 31.823 -0.023 0.000 1.013 257 V HN 0.893 nan 8.190 nan 0.000 0.430 258 E N 4.037 124.249 120.200 0.020 0.000 2.046 258 E HA 0.588 4.938 4.350 -0.000 0.000 0.279 258 E C -0.539 176.079 176.600 0.031 0.000 0.989 258 E CA -0.279 56.145 56.400 0.041 0.000 0.798 258 E CB 1.144 30.891 29.700 0.078 0.000 1.086 258 E HN 0.559 nan 8.360 nan 0.000 0.399 259 R N 1.349 121.855 120.500 0.010 0.000 2.817 259 R HA 0.341 4.681 4.340 -0.000 0.000 0.268 259 R C -0.813 175.535 176.300 0.080 0.000 1.027 259 R CA -0.935 55.159 56.100 -0.010 0.000 0.928 259 R CB 1.066 31.294 30.300 -0.121 0.000 1.228 259 R HN 0.472 nan 8.270 nan 0.000 0.469 260 W N 1.635 122.907 121.300 -0.046 0.000 2.272 260 W HA 0.451 5.111 4.660 -0.000 0.000 0.318 260 W C -0.833 175.635 176.519 -0.085 0.000 1.255 260 W CA -0.115 57.214 57.345 -0.027 0.000 1.200 260 W CB 0.800 30.257 29.460 -0.005 0.000 1.170 260 W HN 0.124 nan 8.180 nan 0.000 0.549 261 V N 6.970 126.181 119.914 -1.172 0.000 2.483 261 V HA 0.694 4.813 4.120 -0.000 0.000 0.297 261 V C 0.385 175.374 176.094 -1.841 0.000 1.027 261 V CA -0.758 60.766 62.300 -1.294 0.000 0.855 261 V CB 1.056 32.241 31.823 -1.064 0.000 0.995 261 V HN 0.759 nan 8.190 nan 0.000 0.424 262 G N 2.998 110.763 108.800 -1.725 0.000 2.420 262 G HA2 0.650 4.609 3.960 -0.000 0.000 0.331 262 G HA3 0.650 4.609 3.960 -0.000 0.000 0.331 262 G C -1.209 173.373 174.900 -0.530 0.000 1.168 262 G CA -0.596 43.916 45.100 -0.980 0.000 0.936 262 G HN 0.518 nan 8.290 nan 0.000 0.479 263 V N 1.360 121.093 119.914 -0.301 0.000 2.398 263 V HA 0.284 4.403 4.120 -0.000 0.000 0.286 263 V C 0.014 176.069 176.094 -0.066 0.000 1.026 263 V CA -0.787 61.407 62.300 -0.178 0.000 0.868 263 V CB 1.411 33.171 31.823 -0.106 0.000 0.982 263 V HN 0.823 nan 8.190 nan 0.000 0.443 264 E N 3.303 123.481 120.200 -0.037 0.000 2.324 264 E HA 0.219 4.569 4.350 -0.000 0.000 0.271 264 E C 0.885 177.484 176.600 -0.002 0.000 1.028 264 E CA 0.418 56.821 56.400 0.005 0.000 0.890 264 E CB 1.142 30.859 29.700 0.029 0.000 1.004 264 E HN 0.833 nan 8.360 nan 0.000 0.431 265 T N 0.530 115.084 114.554 -0.001 0.000 3.043 265 T HA 0.145 4.495 4.350 -0.000 0.000 0.272 265 T C 0.762 175.452 174.700 -0.016 0.000 0.990 265 T CA -0.097 61.992 62.100 -0.019 0.000 0.897 265 T CB 0.130 68.987 68.868 -0.019 0.000 1.111 265 T HN 0.470 nan 8.240 nan 0.000 0.529 266 Q N 0.674 120.473 119.800 -0.001 0.000 2.211 266 Q HA 0.344 4.683 4.340 -0.000 0.000 0.242 266 Q C 1.198 177.194 176.000 -0.007 0.000 0.825 266 Q CA -0.331 55.468 55.803 -0.006 0.000 0.951 266 Q CB 0.949 29.687 28.738 -0.000 0.000 1.130 266 Q HN 0.570 nan 8.270 nan 0.000 0.496 267 G N 1.330 110.135 108.800 0.008 0.000 2.554 267 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.238 267 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.238 267 G C 0.400 175.278 174.900 -0.036 0.000 1.259 267 G CA -0.163 44.939 45.100 0.002 0.000 0.843 267 G HN 0.101 nan 8.290 nan 0.000 0.582 268 K N 0.010 120.334 120.400 -0.126 0.000 2.097 268 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 268 K C 0.790 177.237 176.600 -0.255 0.000 1.050 268 K CA 1.378 57.493 56.287 -0.287 0.000 0.938 268 K CB -0.110 32.058 32.500 -0.553 0.000 0.718 268 K HN 0.570 nan 8.250 nan 0.000 0.442 269 Y N -0.823 119.510 120.300 0.056 0.000 2.527 269 Y HA 0.144 4.694 4.550 -0.000 0.000 0.247 269 Y C 0.796 176.745 175.900 0.082 0.000 1.138 269 Y CA 0.173 58.311 58.100 0.062 0.000 1.228 269 Y CB 1.175 39.660 38.460 0.042 0.000 1.252 269 Y HN 0.160 nan 8.280 nan 0.000 0.531 270 T N -3.534 111.146 114.554 0.211 0.000 3.231 270 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 270 T C 0.175 174.963 174.700 0.147 0.000 1.001 270 T CA -0.357 61.846 62.100 0.171 0.000 0.920 270 T CB -0.128 68.820 68.868 0.132 0.000 1.140 270 T HN -0.007 nan 8.240 nan 0.000 0.525 271 Q N 1.048 120.942 119.800 0.156 0.000 2.286 271 Q HA 0.401 4.740 4.340 -0.000 0.000 0.290 271 Q C 1.368 177.465 176.000 0.163 0.000 1.049 271 Q CA 1.359 57.222 55.803 0.100 0.000 0.923 271 Q CB 0.256 29.005 28.738 0.018 0.000 1.183 271 Q HN 0.706 nan 8.270 nan 0.000 0.383 272 G N 2.410 111.252 108.800 0.070 0.000 2.176 272 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.253 272 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.253 272 G C 0.140 175.098 174.900 0.096 0.000 0.979 272 G CA 0.113 45.272 45.100 0.099 0.000 0.641 272 G HN 0.587 nan 8.290 nan 0.000 0.530 273 M N 3.038 122.686 119.600 0.081 0.000 2.219 273 M HA 0.450 4.930 4.480 -0.000 0.000 0.353 273 M C 1.074 177.347 176.300 -0.045 0.000 1.304 273 M CA 0.675 56.000 55.300 0.042 0.000 1.115 273 M CB 0.473 33.103 32.600 0.050 0.000 1.664 273 M HN 0.439 nan 8.290 nan 0.000 0.459 274 T N 2.979 117.482 114.554 -0.086 0.000 2.723 274 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 274 T C -0.241 174.338 174.700 -0.202 0.000 0.925 274 T CA -0.962 61.002 62.100 -0.227 0.000 1.030 274 T CB -0.030 68.688 68.868 -0.250 0.000 0.905 274 T HN 0.447 nan 8.240 nan 0.000 0.502 275 V N 5.259 125.029 119.914 -0.240 0.000 2.372 275 V HA 0.242 4.362 4.120 -0.000 0.000 0.261 275 V C 0.247 176.211 176.094 -0.216 0.000 1.055 275 V CA -0.631 61.589 62.300 -0.133 0.000 0.930 275 V CB 0.735 32.549 31.823 -0.016 0.000 1.031 275 V HN 0.834 nan 8.190 nan 0.000 0.479 276 V N 4.146 123.993 119.914 -0.111 0.000 2.370 276 V HA 0.263 4.383 4.120 -0.000 0.000 0.279 276 V C 0.326 176.447 176.094 0.046 0.000 1.029 276 V CA -0.536 61.706 62.300 -0.097 0.000 0.870 276 V CB 1.694 33.467 31.823 -0.083 0.000 0.984 276 V HN 0.846 nan 8.190 nan 0.000 0.451 277 D N 3.017 123.492 120.400 0.125 0.000 2.713 277 D HA 0.037 4.677 4.640 -0.000 0.000 0.229 277 D C 0.803 177.060 176.300 -0.072 0.000 1.136 277 D CA -0.118 53.974 54.000 0.153 0.000 1.010 277 D CB -0.089 40.899 40.800 0.313 0.000 1.084 277 D HN 0.581 nan 8.370 nan 0.000 0.495 278 Y N 1.358 121.527 120.300 -0.219 0.000 2.274 278 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 278 Y C 0.502 175.993 175.900 -0.683 0.000 1.145 278 Y CA 1.537 59.353 58.100 -0.473 0.000 1.203 278 Y CB 0.050 38.198 38.460 -0.520 0.000 0.984 278 Y HN 0.285 nan 8.280 nan 0.000 0.533 279 Y N -1.720 118.532 120.300 -0.079 0.000 2.571 279 Y HA 0.169 4.719 4.550 -0.000 0.000 0.275 279 Y C -0.637 175.278 175.900 0.026 0.000 1.179 279 Y CA -0.922 57.149 58.100 -0.049 0.000 1.242 279 Y CB -0.809 37.716 38.460 0.109 0.000 1.126 279 Y HN 0.050 nan 8.280 nan 0.000 0.524 280 Y N -1.005 119.356 120.300 0.102 0.000 3.125 280 Y HA -0.269 4.281 4.550 -0.000 0.000 0.200 280 Y C 0.690 176.633 175.900 0.072 0.000 1.373 280 Y CA -0.134 58.005 58.100 0.065 0.000 1.180 280 Y CB -2.106 36.373 38.460 0.031 0.000 1.381 280 Y HN 0.261 nan 8.280 nan 0.000 0.501 281 L N -1.087 120.246 121.223 0.184 0.000 2.513 281 L HA 0.083 4.423 4.340 -0.000 0.000 0.222 281 L C 1.486 178.390 176.870 0.057 0.000 1.096 281 L CA 0.858 55.772 54.840 0.124 0.000 0.857 281 L CB 0.079 42.210 42.059 0.121 0.000 1.026 281 L HN 0.523 nan 8.230 nan 0.000 0.469 282 T N -3.707 110.859 114.554 0.021 0.000 2.897 282 T HA 0.379 4.729 4.350 -0.000 0.000 0.278 282 T C 1.241 175.886 174.700 -0.093 0.000 0.981 282 T CA -0.048 61.994 62.100 -0.097 0.000 0.973 282 T CB 1.722 70.425 68.868 -0.276 0.000 1.092 282 T HN 0.066 nan 8.240 nan 0.000 0.543 283 G N 0.403 109.113 108.800 -0.151 0.000 2.598 283 G HA2 0.006 3.966 3.960 -0.000 0.000 0.215 283 G HA3 0.006 3.966 3.960 -0.000 0.000 0.215 283 G C 0.471 175.282 174.900 -0.148 0.000 1.131 283 G CA -0.276 44.752 45.100 -0.120 0.000 0.785 283 G HN 0.700 nan 8.290 nan 0.000 0.539 284 N N 1.118 119.641 118.700 -0.295 0.000 2.483 284 N HA 0.176 4.916 4.740 -0.000 0.000 0.264 284 N C 0.082 175.533 175.510 -0.098 0.000 1.197 284 N CA 0.008 52.810 53.050 -0.414 0.000 0.927 284 N CB 1.088 38.792 38.487 -1.305 0.000 1.065 284 N HN -0.053 nan 8.380 nan 0.000 0.461 285 K N 3.031 123.431 120.400 0.001 0.000 2.447 285 K HA 0.123 4.442 4.320 -0.000 0.000 0.281 285 K C -2.257 174.499 176.600 0.259 0.000 1.031 285 K CA -1.040 55.317 56.287 0.117 0.000 1.019 285 K CB -0.013 32.547 32.500 0.100 0.000 0.918 285 K HN 0.338 nan 8.250 nan 0.000 0.476 286 P HA -0.055 nan 4.420 nan 0.000 0.263 286 P C -0.551 176.877 177.300 0.214 0.000 1.175 286 P CA 0.330 63.583 63.100 0.255 0.000 0.761 286 P CB 0.443 32.257 31.700 0.189 0.000 0.794 287 N N 1.144 119.957 118.700 0.189 0.000 2.170 287 N HA 0.360 5.100 4.740 -0.000 0.000 0.222 287 N C -0.553 175.018 175.510 0.101 0.000 1.218 287 N CA -0.373 52.764 53.050 0.145 0.000 0.889 287 N CB 0.620 39.211 38.487 0.174 0.000 1.083 287 N HN 0.316 nan 8.380 nan 0.000 0.520 288 A N -0.534 122.332 122.820 0.076 0.000 2.574 288 A HA 0.680 4.999 4.320 -0.000 0.000 0.297 288 A C -1.216 176.370 177.584 0.003 0.000 1.062 288 A CA -0.556 51.512 52.037 0.052 0.000 0.686 288 A CB 0.987 20.086 19.000 0.165 0.000 1.285 288 A HN 0.024 nan 8.150 nan 0.000 0.403 289 T N 1.749 116.268 114.554 -0.059 0.000 2.733 289 T HA 0.512 4.862 4.350 -0.000 0.000 0.294 289 T C -0.482 174.128 174.700 -0.150 0.000 0.956 289 T CA -0.147 61.899 62.100 -0.090 0.000 0.987 289 T CB 0.614 69.404 68.868 -0.131 0.000 0.920 289 T HN 0.561 nan 8.240 nan 0.000 0.470 290 V N 5.608 125.470 119.914 -0.088 0.000 2.357 290 V HA 0.367 4.486 4.120 -0.000 0.000 0.284 290 V C 0.226 176.280 176.094 -0.067 0.000 1.018 290 V CA -0.840 61.409 62.300 -0.085 0.000 0.841 290 V CB 1.236 33.035 31.823 -0.040 0.000 0.991 290 V HN 0.896 nan 8.190 nan 0.000 0.437 291 M N 4.527 124.055 119.600 -0.120 0.000 2.200 291 M HA 0.219 4.699 4.480 -0.000 0.000 0.355 291 M C 0.783 177.094 176.300 0.019 0.000 1.283 291 M CA 0.057 55.329 55.300 -0.046 0.000 1.124 291 M CB 1.245 33.766 32.600 -0.131 0.000 1.625 291 M HN 0.671 nan 8.290 nan 0.000 0.463 292 V N -2.207 117.755 119.914 0.079 0.000 3.497 292 V HA 0.438 4.558 4.120 -0.000 0.000 0.272 292 V C -0.120 176.015 176.094 0.068 0.000 1.474 292 V CA 0.080 62.415 62.300 0.058 0.000 1.025 292 V CB 0.641 32.504 31.823 0.065 0.000 0.820 292 V HN 0.797 nan 8.190 nan 0.000 0.437 293 D N -1.021 119.443 120.400 0.106 0.000 2.599 293 D HA 0.675 5.314 4.640 -0.000 0.000 0.252 293 D C -1.723 174.611 176.300 0.056 0.000 1.232 293 D CA -0.057 53.984 54.000 0.068 0.000 0.819 293 D CB 2.981 43.812 40.800 0.050 0.000 1.401 293 D HN 0.100 nan 8.370 nan 0.000 0.429 294 V N 1.112 120.979 119.914 -0.078 0.000 3.012 294 V HA 0.350 4.470 4.120 -0.000 0.000 0.307 294 V C -1.563 174.400 176.094 -0.218 0.000 1.166 294 V CA -0.761 61.351 62.300 -0.313 0.000 0.974 294 V CB 2.175 33.708 31.823 -0.483 0.000 1.040 294 V HN 0.586 nan 8.190 nan 0.000 0.428 295 D N 4.940 125.192 120.400 -0.246 0.000 2.383 295 D HA 0.143 4.783 4.640 -0.000 0.000 0.245 295 D C 1.130 177.376 176.300 -0.090 0.000 1.263 295 D CA 0.235 54.157 54.000 -0.130 0.000 0.936 295 D CB 0.644 41.378 40.800 -0.111 0.000 1.053 295 D HN 0.634 nan 8.370 nan 0.000 0.507 296 R N 2.767 123.234 120.500 -0.055 0.000 2.073 296 R HA -0.230 4.110 4.340 -0.000 0.000 0.234 296 R C 1.619 177.950 176.300 0.052 0.000 1.134 296 R CA 1.450 57.555 56.100 0.007 0.000 0.952 296 R CB 0.084 30.371 30.300 -0.022 0.000 0.850 296 R HN 0.346 nan 8.270 nan 0.000 0.433 297 Q N -0.109 119.684 119.800 -0.011 0.000 2.061 297 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 297 Q C 1.864 177.868 176.000 0.006 0.000 0.984 297 Q CA 2.256 58.046 55.803 -0.021 0.000 0.846 297 Q CB -0.838 27.880 28.738 -0.035 0.000 0.902 297 Q HN 0.493 nan 8.270 nan 0.000 0.421 298 G N -0.522 108.282 108.800 0.006 0.000 2.442 298 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 298 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 298 G C 1.294 176.224 174.900 0.050 0.000 1.141 298 G CA 0.740 45.845 45.100 0.009 0.000 0.763 298 G HN 0.459 nan 8.290 nan 0.000 0.554 299 F N 1.491 121.389 119.950 -0.087 0.000 2.095 299 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 299 F C 2.673 178.492 175.800 0.032 0.000 1.104 299 F CA 1.511 59.486 58.000 -0.042 0.000 1.232 299 F CB -0.442 38.513 39.000 -0.075 0.000 0.987 299 F HN 0.009 nan 8.300 nan 0.000 0.475 300 V N 0.580 120.471 119.914 -0.039 0.000 2.407 300 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 300 V C 2.095 178.201 176.094 0.020 0.000 1.055 300 V CA 2.191 64.475 62.300 -0.028 0.000 1.049 300 V CB -0.773 31.048 31.823 -0.002 0.000 0.662 300 V HN 0.299 nan 8.190 nan 0.000 0.455 301 D N -0.214 120.186 120.400 -0.001 0.000 2.144 301 D HA -0.127 4.512 4.640 -0.000 0.000 0.200 301 D C 1.973 178.268 176.300 -0.009 0.000 0.978 301 D CA 0.952 54.958 54.000 0.010 0.000 0.833 301 D CB -0.279 40.523 40.800 0.002 0.000 0.961 301 D HN 0.335 nan 8.370 nan 0.000 0.470 302 L N 0.788 121.985 121.223 -0.044 0.000 1.989 302 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 302 L C 2.265 179.068 176.870 -0.112 0.000 1.071 302 L CA 1.422 56.225 54.840 -0.063 0.000 0.749 302 L CB -0.801 41.231 42.059 -0.045 0.000 0.890 302 L HN 0.025 nan 8.230 nan 0.000 0.431 303 L N -0.915 120.182 121.223 -0.211 0.000 2.012 303 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 303 L C 2.524 179.271 176.870 -0.204 0.000 1.073 303 L CA 1.755 56.415 54.840 -0.300 0.000 0.748 303 L CB -0.522 41.223 42.059 -0.523 0.000 0.891 303 L HN 0.402 nan 8.230 nan 0.000 0.431 304 A N -0.749 122.078 122.820 0.013 0.000 1.902 304 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 304 A C 1.931 179.546 177.584 0.052 0.000 1.181 304 A CA 2.044 54.160 52.037 0.132 0.000 0.623 304 A CB -0.852 18.299 19.000 0.251 0.000 0.818 304 A HN 0.585 nan 8.150 nan 0.000 0.443 305 D N -0.919 119.495 120.400 0.023 0.000 2.104 305 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 305 D C 2.115 178.418 176.300 0.005 0.000 0.994 305 D CA 1.318 55.326 54.000 0.013 0.000 0.830 305 D CB 0.027 40.827 40.800 0.001 0.000 0.959 305 D HN 0.194 nan 8.370 nan 0.000 0.452 306 R N -0.022 120.462 120.500 -0.025 0.000 2.148 306 R HA 0.034 4.373 4.340 -0.000 0.000 0.223 306 R C 2.464 178.773 176.300 0.015 0.000 1.088 306 R CA 0.251 56.330 56.100 -0.036 0.000 0.985 306 R CB -0.839 29.409 30.300 -0.087 0.000 0.880 306 R HN 0.379 nan 8.270 nan 0.000 0.451 307 L N 1.049 122.290 121.223 0.030 0.000 2.261 307 L HA -0.161 4.179 4.340 -0.000 0.000 0.216 307 L C 2.084 179.057 176.870 0.172 0.000 1.114 307 L CA 1.307 56.229 54.840 0.135 0.000 0.777 307 L CB -0.312 41.768 42.059 0.035 0.000 0.910 307 L HN 0.147 nan 8.230 nan 0.000 0.440 308 K N -0.576 119.880 120.400 0.093 0.000 2.283 308 K HA -0.195 4.125 4.320 -0.000 0.000 0.202 308 K C 1.955 178.577 176.600 0.037 0.000 1.048 308 K CA 1.067 57.395 56.287 0.067 0.000 0.948 308 K CB -0.270 32.253 32.500 0.038 0.000 0.742 308 K HN 0.173 nan 8.250 nan 0.000 0.458 309 F N 0.986 120.822 119.950 -0.189 0.000 2.192 309 F HA -0.253 4.274 4.527 -0.000 0.000 0.301 309 F C 1.112 176.671 175.800 -0.401 0.000 1.079 309 F CA 1.477 59.257 58.000 -0.367 0.000 1.303 309 F CB -0.049 38.595 39.000 -0.594 0.000 1.024 309 F HN -0.007 nan 8.300 nan 0.000 0.494 310 Y N 0.432 120.811 120.300 0.132 0.000 2.495 310 Y HA 0.465 5.015 4.550 -0.000 0.000 0.293 310 Y C 1.389 177.277 175.900 -0.020 0.000 1.186 310 Y CA -0.434 57.694 58.100 0.046 0.000 1.266 310 Y CB -1.417 37.106 38.460 0.104 0.000 1.101 310 Y HN 0.115 nan 8.280 nan 0.000 0.517 311 A N 0.000 122.841 122.820 0.036 0.000 2.254 311 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 311 A CA 0.000 52.043 52.037 0.010 0.000 0.836 311 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 311 A HN 0.000 nan 8.150 nan 0.000 0.486