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 1uls_1_B DATA FIRST_RESID 2 DATA SEQUENCE RLKDKAVLIT GAAHGIGRAT LELFAKEGAR LVACDIEEGP LREAAEAVGA DATA SEQUENCE HPVVXDVADP ASVERGFAEA LAHLGRLDGV VHYAGITRDN FHWKXPLEDW DATA SEQUENCE ELVLRVNLTG SFLVAKAASE AXREKNPGSI VLTASRVYLG NLGQANYAAS DATA SEQUENCE XAGVVGLTRT LALELGRWGI RVNTLAPGFI ETRXTAKVPE KVREKAIAAT DATA SEQUENCE PLGRAGKPLE VAYAALFLLS DESSFITGQV LFVDGGRTIG AAPA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.251 176.300 -0.082 0.000 0.893 2 R CA 0.000 56.078 56.100 -0.037 0.000 0.921 2 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 3 L N 1.386 122.551 121.223 -0.097 0.000 3.289 3 L HA 0.317 4.714 4.340 0.095 0.000 0.291 3 L C 0.080 176.913 176.870 -0.062 0.000 1.279 3 L CA -0.247 54.521 54.840 -0.120 0.000 1.025 3 L CB 0.806 42.733 42.059 -0.220 0.000 1.413 3 L HN -0.039 nan 8.230 nan 0.000 0.593 4 K N 1.972 122.348 120.400 -0.039 0.000 2.405 4 K HA -0.143 4.234 4.320 0.095 0.000 0.273 4 K C 0.045 176.634 176.600 -0.017 0.000 1.116 4 K CA 0.702 56.977 56.287 -0.020 0.000 1.155 4 K CB 0.090 32.582 32.500 -0.013 0.000 0.858 4 K HN 0.223 nan 8.250 nan 0.000 0.477 5 D N 1.815 122.209 120.400 -0.010 0.000 3.059 5 D HA -0.172 4.526 4.640 0.095 0.000 0.213 5 D C -0.664 175.631 176.300 -0.008 0.000 1.144 5 D CA 1.130 55.126 54.000 -0.007 0.000 0.975 5 D CB -0.194 40.601 40.800 -0.009 0.000 1.125 5 D HN 0.591 nan 8.370 nan 0.000 0.412 6 K N 0.570 120.961 120.400 -0.015 0.000 2.368 6 K HA 0.448 4.825 4.320 0.095 0.000 0.282 6 K C 0.339 176.943 176.600 0.007 0.000 1.035 6 K CA 0.024 56.302 56.287 -0.015 0.000 0.973 6 K CB 1.145 33.620 32.500 -0.040 0.000 0.957 6 K HN 0.130 nan 8.250 nan 0.000 0.474 7 A N 3.416 126.243 122.820 0.013 0.000 2.302 7 A HA 0.406 4.783 4.320 0.095 0.000 0.295 7 A C -0.291 177.316 177.584 0.038 0.000 1.235 7 A CA -0.563 51.491 52.037 0.028 0.000 0.876 7 A CB 0.294 19.305 19.000 0.019 0.000 1.133 7 A HN 0.391 nan 8.150 nan 0.000 0.533 8 V N 3.833 123.784 119.914 0.061 0.000 2.656 8 V HA 0.504 4.681 4.120 0.095 0.000 0.307 8 V C -0.325 175.797 176.094 0.047 0.000 1.051 8 V CA -0.569 61.781 62.300 0.084 0.000 0.893 8 V CB 1.796 33.733 31.823 0.189 0.000 0.999 8 V HN 0.869 nan 8.190 nan 0.000 0.426 9 L N 5.422 126.647 121.223 0.003 0.000 2.329 9 L HA 0.747 5.144 4.340 0.095 0.000 0.279 9 L C -1.223 175.608 176.870 -0.065 0.000 1.014 9 L CA -0.353 54.439 54.840 -0.080 0.000 0.814 9 L CB 1.468 43.394 42.059 -0.222 0.000 1.257 9 L HN 0.606 nan 8.230 nan 0.000 0.424 10 I N 3.544 124.062 120.570 -0.088 0.000 2.466 10 I HA 0.356 4.583 4.170 0.095 0.000 0.289 10 I C 0.032 176.109 176.117 -0.068 0.000 1.026 10 I CA -0.519 60.722 61.300 -0.099 0.000 1.078 10 I CB 2.310 40.230 38.000 -0.132 0.000 1.249 10 I HN 0.621 nan 8.210 nan 0.000 0.429 11 T N 0.980 115.518 114.554 -0.025 0.000 2.918 11 T HA 0.536 4.943 4.350 0.095 0.000 0.283 11 T C 1.066 175.768 174.700 0.004 0.000 1.001 11 T CA 0.084 62.197 62.100 0.021 0.000 1.041 11 T CB 1.594 70.565 68.868 0.172 0.000 1.028 11 T HN 1.095 nan 8.240 nan 0.000 0.511 12 G N 0.418 109.180 108.800 -0.063 0.000 2.203 12 G HA2 -0.163 3.854 3.960 0.095 0.000 0.263 12 G HA3 -0.163 3.854 3.960 0.095 0.000 0.263 12 G C 0.995 175.705 174.900 -0.317 0.000 1.012 12 G CA 0.242 45.210 45.100 -0.221 0.000 0.749 12 G HN 1.545 nan 8.290 nan 0.000 0.512 13 A N -0.690 122.018 122.820 -0.187 0.000 2.178 13 A HA 0.429 4.806 4.320 0.095 0.000 0.218 13 A C 2.627 180.093 177.584 -0.195 0.000 1.157 13 A CA 1.916 53.855 52.037 -0.163 0.000 0.689 13 A CB -0.379 18.555 19.000 -0.111 0.000 0.787 13 A HN 1.749 nan 8.150 nan 0.000 0.465 14 A N -0.406 122.260 122.820 -0.257 0.000 2.016 14 A HA 0.153 4.530 4.320 0.095 0.000 0.217 14 A C 1.116 178.694 177.584 -0.010 0.000 1.162 14 A CA 0.895 52.876 52.037 -0.092 0.000 0.662 14 A CB -0.335 18.711 19.000 0.075 0.000 0.812 14 A HN 0.747 nan 8.150 nan 0.000 0.450 15 H N -3.875 115.149 119.070 -0.076 0.000 2.864 15 H HA 0.550 5.163 4.556 0.095 0.000 0.354 15 H C 1.296 176.544 175.328 -0.134 0.000 1.208 15 H CA -0.756 55.237 56.048 -0.091 0.000 1.191 15 H CB -0.068 29.647 29.762 -0.078 0.000 1.889 15 H HN 0.331 nan 8.280 nan 0.000 0.574 16 G N 0.561 109.363 108.800 0.004 0.000 2.674 16 G HA2 -0.411 3.606 3.960 0.095 0.000 0.375 16 G HA3 -0.411 3.606 3.960 0.095 0.000 0.375 16 G C 1.372 176.147 174.900 -0.209 0.000 1.175 16 G CA 1.868 46.906 45.100 -0.103 0.000 0.925 16 G HN 0.696 nan 8.290 nan 0.000 0.606 17 I N 1.432 121.807 120.570 -0.325 0.000 2.163 17 I HA -0.133 4.094 4.170 0.095 0.000 0.243 17 I C 3.166 178.925 176.117 -0.597 0.000 1.085 17 I CA 1.715 62.712 61.300 -0.506 0.000 1.347 17 I CB -0.963 36.587 38.000 -0.751 0.000 1.044 17 I HN 0.533 nan 8.210 nan 0.000 0.408 18 G N 0.793 109.224 108.800 -0.615 0.000 2.440 18 G HA2 -0.316 3.701 3.960 0.095 0.000 0.218 18 G HA3 -0.316 3.701 3.960 0.095 0.000 0.218 18 G C 1.751 176.531 174.900 -0.201 0.000 1.154 18 G CA 0.948 45.879 45.100 -0.281 0.000 0.767 18 G HN 0.209 nan 8.290 nan 0.000 0.552 19 R N 1.185 121.562 120.500 -0.204 0.000 2.062 19 R HA 0.133 4.530 4.340 0.095 0.000 0.231 19 R C 2.787 179.005 176.300 -0.137 0.000 1.136 19 R CA 1.884 57.900 56.100 -0.141 0.000 0.948 19 R CB -1.061 29.178 30.300 -0.101 0.000 0.845 19 R HN 0.220 nan 8.270 nan 0.000 0.430 20 A N -0.829 121.899 122.820 -0.155 0.000 1.972 20 A HA -0.125 4.253 4.320 0.095 0.000 0.219 20 A C 2.153 179.639 177.584 -0.163 0.000 1.169 20 A CA 2.047 54.000 52.037 -0.140 0.000 0.635 20 A CB -0.915 18.000 19.000 -0.140 0.000 0.810 20 A HN 0.497 nan 8.150 nan 0.000 0.446 21 T N 0.024 114.451 114.554 -0.211 0.000 2.812 21 T HA -0.036 4.371 4.350 0.095 0.000 0.264 21 T C 1.826 176.294 174.700 -0.387 0.000 1.042 21 T CA 1.079 62.983 62.100 -0.327 0.000 1.140 21 T CB -0.301 68.383 68.868 -0.306 0.000 0.870 21 T HN 0.359 nan 8.240 nan 0.000 0.445 22 L N 0.746 121.820 121.223 -0.248 0.000 2.042 22 L HA -0.161 4.236 4.340 0.095 0.000 0.210 22 L C 2.578 179.422 176.870 -0.043 0.000 1.076 22 L CA 1.754 56.507 54.840 -0.146 0.000 0.749 22 L CB -0.307 41.689 42.059 -0.105 0.000 0.893 22 L HN 0.383 nan 8.230 nan 0.000 0.432 23 E N -0.376 119.792 120.200 -0.052 0.000 2.047 23 E HA -0.252 4.155 4.350 0.095 0.000 0.191 23 E C 2.238 178.852 176.600 0.024 0.000 0.987 23 E CA 0.949 57.340 56.400 -0.015 0.000 0.799 23 E CB -0.078 29.600 29.700 -0.036 0.000 0.752 23 E HN 0.419 nan 8.360 nan 0.000 0.449 24 L N 0.227 121.459 121.223 0.014 0.000 2.046 24 L HA -0.177 4.220 4.340 0.095 0.000 0.208 24 L C 2.128 179.136 176.870 0.230 0.000 1.077 24 L CA 1.356 56.228 54.840 0.053 0.000 0.747 24 L CB -0.191 41.837 42.059 -0.052 0.000 0.896 24 L HN 0.154 nan 8.230 nan 0.000 0.432 25 F N 0.243 120.166 119.950 -0.044 0.000 2.171 25 F HA -0.131 4.452 4.527 0.093 0.000 0.300 25 F C 2.680 178.476 175.800 -0.006 0.000 1.090 25 F CA 0.844 58.835 58.000 -0.015 0.000 1.293 25 F CB -1.302 37.693 39.000 -0.007 0.000 1.013 25 F HN 0.110 nan 8.300 nan 0.000 0.486 26 A N 0.081 123.011 122.820 0.183 0.000 1.902 26 A HA -0.203 4.174 4.320 0.095 0.000 0.217 26 A C 2.251 179.876 177.584 0.068 0.000 1.181 26 A CA 1.568 53.664 52.037 0.098 0.000 0.623 26 A CB -0.620 18.419 19.000 0.065 0.000 0.818 26 A HN 0.335 nan 8.150 nan 0.000 0.443 27 K N -0.320 120.119 120.400 0.065 0.000 2.283 27 K HA -0.064 4.313 4.320 0.095 0.000 0.202 27 K C 0.882 177.508 176.600 0.043 0.000 1.048 27 K CA 0.978 57.295 56.287 0.049 0.000 0.948 27 K CB 0.017 32.547 32.500 0.049 0.000 0.742 27 K HN 0.311 nan 8.250 nan 0.000 0.458 28 E N -0.039 120.185 120.200 0.040 0.000 2.445 28 E HA 0.028 4.435 4.350 0.095 0.000 0.189 28 E C 0.737 177.332 176.600 -0.008 0.000 1.069 28 E CA 0.208 56.611 56.400 0.004 0.000 0.871 28 E CB 0.390 30.060 29.700 -0.051 0.000 0.991 28 E HN 0.460 nan 8.360 nan 0.000 0.481 29 G N 1.145 109.953 108.800 0.015 0.000 2.176 29 G HA2 -0.295 3.722 3.960 0.095 0.000 0.252 29 G HA3 -0.295 3.722 3.960 0.095 0.000 0.252 29 G C 0.468 175.375 174.900 0.012 0.000 1.024 29 G CA 0.298 45.406 45.100 0.013 0.000 0.755 29 G HN 0.496 nan 8.290 nan 0.000 0.507 30 A N -0.399 122.436 122.820 0.025 0.000 2.322 30 A HA 0.777 5.154 4.320 0.095 0.000 0.269 30 A C 0.737 178.356 177.584 0.058 0.000 1.094 30 A CA -0.255 51.803 52.037 0.035 0.000 0.807 30 A CB 0.444 19.483 19.000 0.064 0.000 1.047 30 A HN 0.493 nan 8.150 nan 0.000 0.487 31 R N 1.153 121.686 120.500 0.055 0.000 2.204 31 R HA 0.452 4.849 4.340 0.095 0.000 0.341 31 R C -1.090 175.262 176.300 0.087 0.000 1.035 31 R CA 0.020 56.162 56.100 0.071 0.000 0.887 31 R CB 0.394 30.726 30.300 0.052 0.000 1.114 31 R HN 0.623 nan 8.270 nan 0.000 0.473 32 L N 2.158 123.435 121.223 0.090 0.000 2.334 32 L HA 0.625 5.022 4.340 0.095 0.000 0.270 32 L C -0.352 176.535 176.870 0.027 0.000 1.018 32 L CA -1.197 53.683 54.840 0.067 0.000 0.811 32 L CB 1.859 43.958 42.059 0.066 0.000 1.271 32 L HN 0.192 nan 8.230 nan 0.000 0.443 33 V N 1.402 121.309 119.914 -0.012 0.000 2.447 33 V HA 0.560 4.737 4.120 0.095 0.000 0.292 33 V C -0.127 175.918 176.094 -0.082 0.000 1.021 33 V CA -0.601 61.665 62.300 -0.057 0.000 0.850 33 V CB 1.569 33.344 31.823 -0.080 0.000 1.005 33 V HN 0.823 nan 8.190 nan 0.000 0.426 34 A N 4.257 127.022 122.820 -0.091 0.000 2.289 34 A HA 0.681 5.058 4.320 0.095 0.000 0.298 34 A C -0.212 177.307 177.584 -0.108 0.000 1.208 34 A CA -0.203 51.776 52.037 -0.096 0.000 0.845 34 A CB 0.435 19.381 19.000 -0.090 0.000 1.125 34 A HN 0.834 nan 8.150 nan 0.000 0.517 35 C N 2.046 121.287 119.300 -0.099 0.000 2.456 35 C HA 0.905 5.423 4.460 0.095 0.000 0.325 35 C C -0.172 174.780 174.990 -0.062 0.000 1.217 35 C CA -0.371 58.597 59.018 -0.083 0.000 1.687 35 C CB 1.307 28.995 27.740 -0.085 0.000 2.270 35 C HN 1.005 nan 8.230 nan 0.000 0.499 36 D N -0.179 120.197 120.400 -0.039 0.000 2.764 36 D HA 0.202 4.900 4.640 0.095 0.000 0.293 36 D C 0.123 176.435 176.300 0.020 0.000 1.287 36 D CA -0.562 53.430 54.000 -0.013 0.000 0.768 36 D CB 1.216 41.999 40.800 -0.029 0.000 1.288 36 D HN 0.299 nan 8.370 nan 0.000 0.426 37 I N 0.974 121.579 120.570 0.057 0.000 2.406 37 I HA 0.035 4.262 4.170 0.095 0.000 0.249 37 I C 0.651 176.788 176.117 0.033 0.000 1.122 37 I CA 1.271 62.600 61.300 0.049 0.000 1.431 37 I CB 0.162 38.200 38.000 0.062 0.000 1.087 37 I HN 0.281 nan 8.210 nan 0.000 0.424 38 E N 0.366 120.592 120.200 0.043 0.000 2.109 38 E HA 0.044 4.452 4.350 0.095 0.000 0.278 38 E C 0.868 177.473 176.600 0.007 0.000 0.954 38 E CA -0.113 56.300 56.400 0.021 0.000 0.779 38 E CB 0.948 30.661 29.700 0.021 0.000 1.093 38 E HN 0.246 nan 8.360 nan 0.000 0.401 39 E N 3.110 123.305 120.200 -0.008 0.000 2.077 39 E HA -0.184 4.223 4.350 0.095 0.000 0.193 39 E C 1.569 178.155 176.600 -0.023 0.000 0.989 39 E CA 1.546 57.932 56.400 -0.023 0.000 0.800 39 E CB -0.059 29.625 29.700 -0.027 0.000 0.746 39 E HN 0.812 nan 8.360 nan 0.000 0.452 40 G N 1.625 110.415 108.800 -0.016 0.000 2.628 40 G HA2 -0.248 3.769 3.960 0.095 0.000 0.217 40 G HA3 -0.248 3.769 3.960 0.095 0.000 0.217 40 G C -0.542 174.350 174.900 -0.014 0.000 1.240 40 G CA 1.293 46.383 45.100 -0.016 0.000 0.792 40 G HN 0.414 nan 8.290 nan 0.000 0.593 41 P HA -0.009 nan 4.420 nan 0.000 0.223 41 P C 2.096 179.396 177.300 0.001 0.000 1.151 41 P CA 0.493 63.596 63.100 0.005 0.000 0.787 41 P CB -0.006 31.710 31.700 0.026 0.000 0.788 42 L N 0.022 121.240 121.223 -0.007 0.000 2.017 42 L HA -0.129 4.268 4.340 0.095 0.000 0.208 42 L C 2.775 179.613 176.870 -0.052 0.000 1.073 42 L CA 1.690 56.511 54.840 -0.032 0.000 0.745 42 L CB -0.292 41.742 42.059 -0.042 0.000 0.894 42 L HN -0.089 nan 8.230 nan 0.000 0.432 43 R N -0.328 120.140 120.500 -0.054 0.000 2.081 43 R HA -0.231 4.166 4.340 0.095 0.000 0.235 43 R C 2.097 178.369 176.300 -0.046 0.000 1.131 43 R CA 1.631 57.694 56.100 -0.063 0.000 0.960 43 R CB -0.438 29.827 30.300 -0.058 0.000 0.856 43 R HN 0.507 nan 8.270 nan 0.000 0.436 44 E N 1.059 121.239 120.200 -0.033 0.000 2.038 44 E HA -0.214 4.193 4.350 0.095 0.000 0.195 44 E C 2.023 178.607 176.600 -0.026 0.000 1.000 44 E CA 1.358 57.743 56.400 -0.025 0.000 0.803 44 E CB -0.067 29.623 29.700 -0.018 0.000 0.750 44 E HN 0.347 nan 8.360 nan 0.000 0.448 45 A N 1.163 123.966 122.820 -0.028 0.000 1.902 45 A HA -0.111 4.266 4.320 0.095 0.000 0.217 45 A C 2.401 179.962 177.584 -0.038 0.000 1.181 45 A CA 1.982 53.999 52.037 -0.033 0.000 0.623 45 A CB -0.821 18.156 19.000 -0.037 0.000 0.818 45 A HN 0.441 nan 8.150 nan 0.000 0.443 46 A N -0.208 122.583 122.820 -0.049 0.000 1.902 46 A HA -0.161 4.217 4.320 0.095 0.000 0.217 46 A C 1.923 179.486 177.584 -0.035 0.000 1.181 46 A CA 1.612 53.618 52.037 -0.052 0.000 0.623 46 A CB -0.517 18.433 19.000 -0.083 0.000 0.818 46 A HN 0.640 nan 8.150 nan 0.000 0.443 47 E N -0.213 119.967 120.200 -0.034 0.000 2.106 47 E HA -0.065 4.342 4.350 0.095 0.000 0.192 47 E C 2.162 178.756 176.600 -0.010 0.000 0.984 47 E CA 0.782 57.170 56.400 -0.020 0.000 0.806 47 E CB -0.285 29.402 29.700 -0.021 0.000 0.750 47 E HN 0.604 nan 8.360 nan 0.000 0.458 48 A N 0.739 123.551 122.820 -0.014 0.000 2.125 48 A HA -0.087 4.290 4.320 0.095 0.000 0.219 48 A C 2.088 179.670 177.584 -0.004 0.000 1.156 48 A CA 0.980 53.012 52.037 -0.009 0.000 0.671 48 A CB 0.106 19.098 19.000 -0.013 0.000 0.794 48 A HN 0.196 nan 8.150 nan 0.000 0.459 49 V N -2.265 117.647 119.914 -0.003 0.000 3.398 49 V HA 0.433 4.610 4.120 0.095 0.000 0.298 49 V C 1.213 177.317 176.094 0.016 0.000 1.496 49 V CA 0.984 63.288 62.300 0.006 0.000 1.044 49 V CB 0.086 31.910 31.823 0.002 0.000 0.880 49 V HN 1.186 nan 8.190 nan 0.000 0.443 50 G N 0.864 109.673 108.800 0.015 0.000 2.136 50 G HA2 -0.113 3.904 3.960 0.095 0.000 0.242 50 G HA3 -0.113 3.904 3.960 0.095 0.000 0.242 50 G C 0.294 175.217 174.900 0.039 0.000 0.989 50 G CA 0.453 45.571 45.100 0.029 0.000 0.682 50 G HN 1.287 nan 8.290 nan 0.000 0.522 51 A N -0.300 122.532 122.820 0.019 0.000 2.252 51 A HA 0.712 5.089 4.320 0.095 0.000 0.305 51 A C 0.181 177.762 177.584 -0.006 0.000 1.097 51 A CA -0.256 51.791 52.037 0.016 0.000 0.849 51 A CB 0.556 19.552 19.000 -0.007 0.000 1.142 51 A HN 0.724 nan 8.150 nan 0.000 0.499 52 H N 1.688 120.648 119.070 -0.184 0.000 2.556 52 H HA 0.337 4.950 4.556 0.095 0.000 0.310 52 H C -2.539 172.654 175.328 -0.224 0.000 1.057 52 H CA -1.759 54.108 56.048 -0.302 0.000 1.264 52 H CB 1.245 30.530 29.762 -0.794 0.000 1.404 52 H HN 0.404 nan 8.280 nan 0.000 0.462 53 P HA 0.057 nan 4.420 nan 0.000 0.281 53 P C -0.893 176.192 177.300 -0.358 0.000 1.252 53 P CA -0.346 62.562 63.100 -0.320 0.000 0.778 53 P CB 1.719 33.273 31.700 -0.243 0.000 0.895 54 V N 4.935 124.728 119.914 -0.202 0.000 2.509 54 V HA 0.088 4.265 4.120 0.095 0.000 0.289 54 V C 0.795 176.834 176.094 -0.092 0.000 1.026 54 V CA -0.708 61.508 62.300 -0.139 0.000 0.872 54 V CB 1.828 33.590 31.823 -0.100 0.000 1.017 54 V HN 0.324 nan 8.190 nan 0.000 0.436 58 V N 1.727 121.695 119.914 0.090 0.000 3.140 58 V HA -0.013 4.164 4.120 0.095 0.000 0.269 58 V C 1.768 177.904 176.094 0.071 0.000 1.149 58 V CA 2.011 64.371 62.300 0.100 0.000 1.162 58 V CB -0.838 31.100 31.823 0.192 0.000 0.756 58 V HN 0.471 nan 8.190 nan 0.000 0.523 59 A N 0.009 122.867 122.820 0.063 0.000 2.132 59 A HA 0.112 4.489 4.320 0.095 0.000 0.213 59 A C 1.173 178.779 177.584 0.037 0.000 1.154 59 A CA 0.748 52.815 52.037 0.049 0.000 0.753 59 A CB -0.232 18.795 19.000 0.045 0.000 0.826 59 A HN 0.596 nan 8.150 nan 0.000 0.469 60 D N -0.567 119.854 120.400 0.034 0.000 2.412 60 D HA 0.361 5.058 4.640 0.095 0.000 0.224 60 D C -2.010 174.302 176.300 0.019 0.000 1.093 60 D CA -2.298 51.717 54.000 0.026 0.000 0.850 60 D CB 1.487 42.303 40.800 0.026 0.000 1.046 60 D HN -0.075 nan 8.370 nan 0.000 0.507 61 P HA -0.179 nan 4.420 nan 0.000 0.216 61 P C 0.978 178.273 177.300 -0.008 0.000 1.154 61 P CA 1.733 64.828 63.100 -0.008 0.000 0.865 61 P CB 0.266 31.965 31.700 -0.002 0.000 0.789 62 A N -0.968 121.854 122.820 0.004 0.000 1.930 62 A HA -0.165 4.212 4.320 0.095 0.000 0.217 62 A C 2.514 180.110 177.584 0.019 0.000 1.175 62 A CA 2.064 54.106 52.037 0.008 0.000 0.627 62 A CB -1.584 17.421 19.000 0.009 0.000 0.815 62 A HN 0.216 nan 8.150 nan 0.000 0.443 63 S N -0.540 115.175 115.700 0.025 0.000 2.368 63 S HA -0.121 4.407 4.470 0.095 0.000 0.224 63 S C 1.904 176.541 174.600 0.062 0.000 1.029 63 S CA 1.624 59.846 58.200 0.037 0.000 0.988 63 S CB -0.462 62.759 63.200 0.035 0.000 0.838 63 S HN 0.290 nan 8.310 nan 0.000 0.462 64 V N 1.490 121.443 119.914 0.065 0.000 2.407 64 V HA -0.130 4.047 4.120 0.095 0.000 0.248 64 V C 2.507 178.701 176.094 0.167 0.000 1.055 64 V CA 2.223 64.599 62.300 0.125 0.000 1.049 64 V CB -0.781 31.061 31.823 0.031 0.000 0.662 64 V HN 0.560 nan 8.190 nan 0.000 0.455 65 E N 0.109 120.344 120.200 0.058 0.000 2.028 65 E HA -0.207 4.201 4.350 0.095 0.000 0.191 65 E C 2.519 179.174 176.600 0.092 0.000 0.988 65 E CA 1.216 57.642 56.400 0.043 0.000 0.799 65 E CB -0.066 29.629 29.700 -0.008 0.000 0.755 65 E HN 0.464 nan 8.360 nan 0.000 0.447 66 R N -0.374 120.166 120.500 0.067 0.000 2.091 66 R HA -0.118 4.279 4.340 0.095 0.000 0.238 66 R C 2.482 178.824 176.300 0.070 0.000 1.136 66 R CA 1.148 57.282 56.100 0.056 0.000 0.959 66 R CB -0.587 29.734 30.300 0.036 0.000 0.856 66 R HN 0.275 nan 8.270 nan 0.000 0.437 67 G N 0.593 109.443 108.800 0.083 0.000 2.446 67 G HA2 -0.264 3.753 3.960 0.095 0.000 0.217 67 G HA3 -0.264 3.753 3.960 0.095 0.000 0.217 67 G C 1.141 176.043 174.900 0.003 0.000 1.168 67 G CA 0.661 45.781 45.100 0.035 0.000 0.771 67 G HN 0.181 nan 8.290 nan 0.000 0.551 68 F N 1.765 121.702 119.950 -0.022 0.000 2.234 68 F HA 0.106 4.689 4.527 0.095 0.000 0.299 68 F C 2.977 178.768 175.800 -0.015 0.000 1.087 68 F CA 0.763 58.748 58.000 -0.025 0.000 1.340 68 F CB -0.230 38.740 39.000 -0.050 0.000 1.031 68 F HN 0.246 nan 8.300 nan 0.000 0.500 69 A N -0.098 122.809 122.820 0.145 0.000 1.877 69 A HA -0.197 4.180 4.320 0.095 0.000 0.216 69 A C 2.145 179.759 177.584 0.050 0.000 1.186 69 A CA 1.800 53.884 52.037 0.079 0.000 0.620 69 A CB -0.712 18.322 19.000 0.056 0.000 0.822 69 A HN 0.409 nan 8.150 nan 0.000 0.443 70 E N -0.299 119.927 120.200 0.044 0.000 2.077 70 E HA -0.103 4.304 4.350 0.095 0.000 0.193 70 E C 2.347 178.971 176.600 0.039 0.000 0.989 70 E CA 0.912 57.341 56.400 0.049 0.000 0.800 70 E CB -0.294 29.442 29.700 0.060 0.000 0.746 70 E HN 0.612 nan 8.360 nan 0.000 0.452 71 A N 1.405 124.218 122.820 -0.012 0.000 1.902 71 A HA -0.172 4.205 4.320 0.095 0.000 0.217 71 A C 2.149 179.735 177.584 0.003 0.000 1.181 71 A CA 1.016 53.027 52.037 -0.042 0.000 0.623 71 A CB -0.448 18.429 19.000 -0.204 0.000 0.818 71 A HN 0.128 nan 8.150 nan 0.000 0.443 72 L N -0.747 120.484 121.223 0.013 0.000 2.056 72 L HA -0.149 4.249 4.340 0.095 0.000 0.207 72 L C 3.030 179.903 176.870 0.006 0.000 1.078 72 L CA 1.941 56.794 54.840 0.021 0.000 0.749 72 L CB -1.641 40.443 42.059 0.041 0.000 0.901 72 L HN 0.472 nan 8.230 nan 0.000 0.433 73 A N -1.166 121.660 122.820 0.011 0.000 1.902 73 A HA -0.265 4.113 4.320 0.095 0.000 0.217 73 A C 2.305 179.868 177.584 -0.035 0.000 1.181 73 A CA 1.711 53.744 52.037 -0.006 0.000 0.623 73 A CB -0.811 18.195 19.000 0.010 0.000 0.818 73 A HN 0.540 nan 8.150 nan 0.000 0.443 74 H N -0.329 118.658 119.070 -0.138 0.000 2.372 74 H HA 0.105 4.718 4.556 0.095 0.000 0.301 74 H C 1.784 177.013 175.328 -0.165 0.000 1.065 74 H CA 1.629 57.536 56.048 -0.234 0.000 1.364 74 H CB -0.047 29.417 29.762 -0.496 0.000 1.406 74 H HN 0.421 nan 8.280 nan 0.000 0.521 75 L N -0.976 120.234 121.223 -0.021 0.000 2.202 75 L HA 0.113 4.510 4.340 0.095 0.000 0.205 75 L C 2.153 178.982 176.870 -0.068 0.000 1.083 75 L CA 0.844 55.663 54.840 -0.035 0.000 0.790 75 L CB -0.021 42.062 42.059 0.041 0.000 0.942 75 L HN 0.546 nan 8.230 nan 0.000 0.452 76 G N 0.824 109.595 108.800 -0.049 0.000 2.253 76 G HA2 -0.285 3.732 3.960 0.095 0.000 0.251 76 G HA3 -0.285 3.732 3.960 0.095 0.000 0.251 76 G C 0.460 175.347 174.900 -0.022 0.000 0.998 76 G CA 0.505 45.579 45.100 -0.042 0.000 0.621 76 G HN 0.505 nan 8.290 nan 0.000 0.524 77 R N -1.393 119.101 120.500 -0.011 0.000 2.756 77 R HA 0.787 5.185 4.340 0.095 0.000 0.273 77 R C -2.119 174.188 176.300 0.012 0.000 1.030 77 R CA -1.083 55.016 56.100 -0.001 0.000 0.887 77 R CB 0.682 30.978 30.300 -0.006 0.000 1.274 77 R HN 0.486 nan 8.270 nan 0.000 0.461 78 L N 1.326 122.560 121.223 0.019 0.000 2.476 78 L HA 0.365 4.762 4.340 0.095 0.000 0.269 78 L C -0.647 176.238 176.870 0.025 0.000 0.965 78 L CA -0.493 54.365 54.840 0.031 0.000 0.845 78 L CB 2.296 44.392 42.059 0.061 0.000 1.259 78 L HN 0.820 nan 8.230 nan 0.000 0.403 79 D N 2.430 122.843 120.400 0.022 0.000 2.388 79 D HA 0.243 4.940 4.640 0.095 0.000 0.208 79 D C 0.579 176.890 176.300 0.018 0.000 1.035 79 D CA 0.490 54.499 54.000 0.014 0.000 0.875 79 D CB 1.913 42.715 40.800 0.003 0.000 0.984 79 D HN 0.638 nan 8.370 nan 0.000 0.508 80 G N -0.221 108.600 108.800 0.035 0.000 2.523 80 G HA2 0.474 4.491 3.960 0.095 0.000 0.291 80 G HA3 0.474 4.491 3.960 0.095 0.000 0.291 80 G C -1.822 173.119 174.900 0.068 0.000 1.450 80 G CA -0.387 44.740 45.100 0.045 0.000 0.790 80 G HN -0.066 nan 8.290 nan 0.000 0.496 81 V N -0.383 119.570 119.914 0.066 0.000 2.851 81 V HA 0.615 4.792 4.120 0.095 0.000 0.307 81 V C -0.739 175.365 176.094 0.016 0.000 1.129 81 V CA -0.698 61.636 62.300 0.056 0.000 0.932 81 V CB 2.049 33.927 31.823 0.093 0.000 1.024 81 V HN 0.770 nan 8.190 nan 0.000 0.426 82 V N 3.306 123.187 119.914 -0.056 0.000 2.407 82 V HA 0.420 4.597 4.120 0.095 0.000 0.291 82 V C -0.701 175.197 176.094 -0.328 0.000 1.018 82 V CA -0.623 61.539 62.300 -0.231 0.000 0.842 82 V CB 1.485 33.095 31.823 -0.354 0.000 0.996 82 V HN 0.945 nan 8.190 nan 0.000 0.426 83 H N 3.796 122.637 119.070 -0.382 0.000 2.517 83 H HA 0.487 5.099 4.556 0.094 0.000 0.317 83 H C -0.517 174.603 175.328 -0.346 0.000 1.080 83 H CA -0.047 55.836 56.048 -0.275 0.000 1.301 83 H CB 0.868 30.560 29.762 -0.116 0.000 1.425 83 H HN 0.620 nan 8.280 nan 0.000 0.471 84 Y N 3.050 123.077 120.300 -0.454 0.000 2.697 84 Y HA 0.310 4.915 4.550 0.093 0.000 0.268 84 Y C 1.500 177.117 175.900 -0.472 0.000 1.092 84 Y CA -0.134 57.732 58.100 -0.391 0.000 1.304 84 Y CB -0.063 38.259 38.460 -0.230 0.000 1.446 84 Y HN 0.762 nan 8.280 nan 0.000 0.491 85 A N 2.008 124.696 122.820 -0.219 0.000 2.198 85 A HA 0.195 4.572 4.320 0.095 0.000 0.322 85 A C 0.561 178.104 177.584 -0.069 0.000 0.870 85 A CA 1.469 53.447 52.037 -0.097 0.000 1.382 85 A CB -1.372 17.643 19.000 0.025 0.000 0.668 85 A HN 0.513 nan 8.150 nan 0.000 0.299 86 G N 1.240 110.053 108.800 0.023 0.000 2.704 86 G HA2 0.707 4.724 3.960 0.095 0.000 0.293 86 G HA3 0.707 4.724 3.960 0.095 0.000 0.293 86 G C -0.615 174.349 174.900 0.108 0.000 1.421 86 G CA -0.170 44.978 45.100 0.081 0.000 0.870 86 G HN 1.639 nan 8.290 nan 0.000 0.492 87 I N -1.876 118.775 120.570 0.134 0.000 3.264 87 I HA 0.964 5.191 4.170 0.095 0.000 0.315 87 I C -0.396 175.770 176.117 0.081 0.000 1.154 87 I CA -1.132 60.216 61.300 0.080 0.000 0.962 87 I CB 2.440 40.471 38.000 0.052 0.000 1.265 87 I HN 0.710 nan 8.210 nan 0.000 0.463 88 T N 0.079 114.617 114.554 -0.026 0.000 2.903 88 T HA 0.726 5.133 4.350 0.095 0.000 0.299 88 T C -0.577 174.104 174.700 -0.032 0.000 1.093 88 T CA -0.780 61.268 62.100 -0.087 0.000 1.002 88 T CB 2.136 70.819 68.868 -0.309 0.000 1.127 88 T HN 0.753 nan 8.240 nan 0.000 0.488 89 R N 1.435 121.933 120.500 -0.005 0.000 2.754 89 R HA 0.356 4.753 4.340 0.095 0.000 0.255 89 R C -1.334 174.981 176.300 0.026 0.000 1.723 89 R CA -0.500 55.609 56.100 0.016 0.000 1.596 89 R CB 0.017 30.341 30.300 0.041 0.000 1.424 89 R HN 0.712 nan 8.270 nan 0.000 0.662 90 D N 1.119 121.518 120.400 -0.001 0.000 2.399 90 D HA 0.248 4.946 4.640 0.095 0.000 0.241 90 D C -0.086 176.227 176.300 0.022 0.000 1.133 90 D CA 0.654 54.659 54.000 0.008 0.000 0.890 90 D CB 0.623 41.417 40.800 -0.009 0.000 1.201 90 D HN 0.211 nan 8.370 nan 0.000 0.432 91 N N 0.294 119.008 118.700 0.024 0.000 4.451 91 N HA 0.031 4.828 4.740 0.095 0.000 0.195 91 N C -1.293 174.199 175.510 -0.030 0.000 1.087 91 N CA -0.562 52.496 53.050 0.012 0.000 1.025 91 N CB 0.336 38.816 38.487 -0.012 0.000 1.603 91 N HN 0.056 nan 8.380 nan 0.000 0.631 92 F N 2.850 122.545 119.950 -0.425 0.000 2.553 92 F HA 0.066 4.653 4.527 0.100 0.000 0.356 92 F C 2.513 177.926 175.800 -0.646 0.000 1.142 92 F CA -0.027 57.599 58.000 -0.623 0.000 1.322 92 F CB 0.502 38.759 39.000 -1.239 0.000 1.126 92 F HN 0.526 nan 8.300 nan 0.000 0.599 93 H N 2.520 121.373 119.070 -0.362 0.000 2.390 93 H HA -0.233 4.381 4.556 0.097 0.000 0.298 93 H C 1.624 176.890 175.328 -0.103 0.000 1.106 93 H CA 2.186 58.127 56.048 -0.179 0.000 1.297 93 H CB -0.916 28.796 29.762 -0.083 0.000 1.375 93 H HN 0.790 nan 8.280 nan 0.000 0.509 94 W N 1.681 122.673 121.300 -0.514 0.000 2.699 94 W HA 0.286 5.003 4.660 0.095 0.000 0.249 94 W C 0.726 177.194 176.519 -0.085 0.000 1.280 94 W CA -0.411 56.769 57.345 -0.276 0.000 1.345 94 W CB -0.119 29.161 29.460 -0.301 0.000 1.128 94 W HN 0.048 nan 8.180 nan 0.000 0.642 98 L N 1.384 122.670 121.223 0.105 0.000 2.043 98 L HA -0.256 4.141 4.340 0.095 0.000 0.212 98 L C 2.207 179.195 176.870 0.196 0.000 1.075 98 L CA 2.628 57.556 54.840 0.147 0.000 0.752 98 L CB -0.014 42.101 42.059 0.093 0.000 0.891 98 L HN 0.610 nan 8.230 nan 0.000 0.432 99 E N -0.823 119.455 120.200 0.130 0.000 2.130 99 E HA -0.279 4.128 4.350 0.095 0.000 0.196 99 E C 1.516 178.185 176.600 0.115 0.000 0.998 99 E CA 1.588 58.053 56.400 0.109 0.000 0.806 99 E CB -0.342 29.402 29.700 0.074 0.000 0.738 99 E HN 0.509 nan 8.360 nan 0.000 0.459 100 D N 0.195 120.673 120.400 0.130 0.000 2.149 100 D HA -0.127 4.570 4.640 0.095 0.000 0.201 100 D C 1.354 177.748 176.300 0.157 0.000 0.972 100 D CA 0.725 54.796 54.000 0.119 0.000 0.835 100 D CB -0.403 40.464 40.800 0.112 0.000 0.966 100 D HN 0.392 nan 8.370 nan 0.000 0.476 101 W N 1.997 123.318 121.300 0.035 0.000 2.379 101 W HA -0.108 4.606 4.660 0.091 0.000 0.307 101 W C 1.464 178.005 176.519 0.037 0.000 1.200 101 W CA 1.045 58.413 57.345 0.038 0.000 1.297 101 W CB -0.063 29.418 29.460 0.035 0.000 1.140 101 W HN -0.006 nan 8.180 nan 0.000 0.507 102 E N 0.557 120.832 120.200 0.125 0.000 2.150 102 E HA -0.228 4.179 4.350 0.095 0.000 0.193 102 E C 2.074 178.643 176.600 -0.051 0.000 0.985 102 E CA 1.166 57.570 56.400 0.006 0.000 0.814 102 E CB -0.397 29.382 29.700 0.130 0.000 0.752 102 E HN 0.156 nan 8.360 nan 0.000 0.466 103 L N 1.024 122.241 121.223 -0.010 0.000 2.056 103 L HA -0.134 4.263 4.340 0.095 0.000 0.207 103 L C 2.431 179.278 176.870 -0.039 0.000 1.078 103 L CA 1.400 56.234 54.840 -0.009 0.000 0.749 103 L CB -0.479 41.592 42.059 0.019 0.000 0.901 103 L HN 0.091 nan 8.230 nan 0.000 0.433 104 V N -2.641 117.231 119.914 -0.071 0.000 2.548 104 V HA -0.184 3.994 4.120 0.095 0.000 0.249 104 V C 2.314 178.324 176.094 -0.140 0.000 1.055 104 V CA 1.647 63.906 62.300 -0.068 0.000 1.065 104 V CB -0.785 31.016 31.823 -0.036 0.000 0.681 104 V HN 0.437 nan 8.190 nan 0.000 0.462 105 L N -0.143 120.918 121.223 -0.271 0.000 2.056 105 L HA -0.071 4.326 4.340 0.095 0.000 0.207 105 L C 3.015 179.803 176.870 -0.136 0.000 1.078 105 L CA 2.193 56.861 54.840 -0.285 0.000 0.749 105 L CB -0.619 41.180 42.059 -0.432 0.000 0.901 105 L HN 0.334 nan 8.230 nan 0.000 0.433 106 R N -0.020 120.424 120.500 -0.093 0.000 2.073 106 R HA -0.148 4.249 4.340 0.095 0.000 0.234 106 R C 2.183 178.483 176.300 0.001 0.000 1.134 106 R CA 1.661 57.743 56.100 -0.031 0.000 0.952 106 R CB -0.126 30.167 30.300 -0.011 0.000 0.850 106 R HN 0.127 nan 8.270 nan 0.000 0.433 107 V N 1.566 121.483 119.914 0.005 0.000 2.283 107 V HA -0.192 3.985 4.120 0.095 0.000 0.243 107 V C 1.809 177.940 176.094 0.062 0.000 1.039 107 V CA 1.874 64.198 62.300 0.041 0.000 1.016 107 V CB -0.501 31.348 31.823 0.043 0.000 0.650 107 V HN 0.422 nan 8.190 nan 0.000 0.449 108 N N -0.084 118.634 118.700 0.030 0.000 2.173 108 N HA -0.038 4.759 4.740 0.095 0.000 0.184 108 N C 1.611 177.137 175.510 0.027 0.000 1.025 108 N CA 1.000 54.071 53.050 0.035 0.000 0.852 108 N CB -0.387 38.091 38.487 -0.014 0.000 0.998 108 N HN 0.300 nan 8.380 nan 0.000 0.427 109 L N 1.150 122.355 121.223 -0.029 0.000 2.071 109 L HA 0.092 4.489 4.340 0.095 0.000 0.201 109 L C 1.936 178.820 176.870 0.023 0.000 1.076 109 L CA 1.806 56.628 54.840 -0.031 0.000 0.755 109 L CB -1.271 40.732 42.059 -0.094 0.000 0.915 109 L HN 0.034 nan 8.230 nan 0.000 0.445 110 T N -0.381 114.186 114.554 0.020 0.000 2.867 110 T HA -0.054 4.353 4.350 0.095 0.000 0.268 110 T C 1.651 176.418 174.700 0.112 0.000 1.057 110 T CA 1.033 63.183 62.100 0.084 0.000 1.136 110 T CB -0.696 68.204 68.868 0.052 0.000 0.874 110 T HN 0.573 nan 8.240 nan 0.000 0.466 111 G N 0.916 109.763 108.800 0.079 0.000 2.418 111 G HA2 -0.177 3.840 3.960 0.095 0.000 0.217 111 G HA3 -0.177 3.840 3.960 0.095 0.000 0.217 111 G C 1.857 176.747 174.900 -0.017 0.000 1.158 111 G CA 0.944 46.087 45.100 0.072 0.000 0.771 111 G HN 0.484 nan 8.290 nan 0.000 0.545 112 S N 0.077 115.807 115.700 0.049 0.000 2.402 112 S HA -0.038 4.489 4.470 0.095 0.000 0.229 112 S C 1.838 176.379 174.600 -0.098 0.000 1.021 112 S CA 0.803 58.946 58.200 -0.095 0.000 0.974 112 S CB -0.289 62.974 63.200 0.105 0.000 0.800 112 S HN 0.412 nan 8.310 nan 0.000 0.484 113 F N 2.558 122.428 119.950 -0.134 0.000 2.113 113 F HA -0.017 4.566 4.527 0.094 0.000 0.297 113 F C 1.703 177.403 175.800 -0.167 0.000 1.103 113 F CA 1.164 59.086 58.000 -0.131 0.000 1.248 113 F CB -0.564 38.379 39.000 -0.094 0.000 0.999 113 F HN 0.083 nan 8.300 nan 0.000 0.475 114 L N -0.655 120.407 121.223 -0.269 0.000 2.046 114 L HA -0.220 4.178 4.340 0.095 0.000 0.208 114 L C 2.393 178.997 176.870 -0.443 0.000 1.077 114 L CA 1.108 55.718 54.840 -0.384 0.000 0.747 114 L CB -0.948 41.014 42.059 -0.162 0.000 0.896 114 L HN 0.023 nan 8.230 nan 0.000 0.432 115 V N -0.111 119.570 119.914 -0.389 0.000 2.379 115 V HA -0.229 3.948 4.120 0.095 0.000 0.245 115 V C 2.719 178.549 176.094 -0.440 0.000 1.044 115 V CA 1.718 63.783 62.300 -0.393 0.000 1.036 115 V CB -0.731 30.815 31.823 -0.461 0.000 0.664 115 V HN 0.459 nan 8.190 nan 0.000 0.453 116 A N -0.269 122.322 122.820 -0.382 0.000 1.902 116 A HA -0.252 4.125 4.320 0.095 0.000 0.217 116 A C 2.344 179.710 177.584 -0.364 0.000 1.181 116 A CA 2.116 53.980 52.037 -0.289 0.000 0.623 116 A CB -0.477 18.411 19.000 -0.186 0.000 0.818 116 A HN 0.500 nan 8.150 nan 0.000 0.443 117 K N -0.310 119.779 120.400 -0.518 0.000 2.097 117 K HA -0.078 4.299 4.320 0.095 0.000 0.206 117 K C 2.105 178.401 176.600 -0.506 0.000 1.049 117 K CA 1.168 57.128 56.287 -0.545 0.000 0.933 117 K CB -0.288 31.711 32.500 -0.836 0.000 0.717 117 K HN 0.375 nan 8.250 nan 0.000 0.442 118 A N 0.980 123.395 122.820 -0.675 0.000 1.898 118 A HA -0.030 4.347 4.320 0.095 0.000 0.216 118 A C 2.296 179.422 177.584 -0.764 0.000 1.181 118 A CA 1.597 53.097 52.037 -0.896 0.000 0.620 118 A CB -0.644 17.363 19.000 -1.653 0.000 0.819 118 A HN 0.450 nan 8.150 nan 0.000 0.442 119 A N -0.700 121.758 122.820 -0.603 0.000 1.902 119 A HA -0.106 4.271 4.320 0.095 0.000 0.217 119 A C 2.479 179.982 177.584 -0.134 0.000 1.181 119 A CA 2.164 54.113 52.037 -0.148 0.000 0.623 119 A CB -0.930 18.052 19.000 -0.029 0.000 0.818 119 A HN 0.564 nan 8.150 nan 0.000 0.443 120 S N -0.846 114.734 115.700 -0.200 0.000 2.356 120 S HA -0.194 4.334 4.470 0.095 0.000 0.223 120 S C 2.089 176.577 174.600 -0.186 0.000 1.032 120 S CA 1.598 59.695 58.200 -0.171 0.000 1.005 120 S CB -0.367 62.722 63.200 -0.185 0.000 0.867 120 S HN 0.577 nan 8.310 nan 0.000 0.449 121 E N 1.140 121.210 120.200 -0.216 0.000 2.153 121 E HA 0.007 4.414 4.350 0.095 0.000 0.194 121 E C 0.970 177.486 176.600 -0.139 0.000 0.988 121 E CA 0.747 57.032 56.400 -0.193 0.000 0.811 121 E CB -0.356 29.221 29.700 -0.205 0.000 0.746 121 E HN 0.589 nan 8.360 nan 0.000 0.466 125 E N 0.780 120.805 120.200 -0.292 0.000 4.028 125 E HA -0.296 4.112 4.350 0.095 0.000 0.343 125 E C 0.101 176.679 176.600 -0.037 0.000 0.700 125 E CA 1.556 57.865 56.400 -0.153 0.000 1.288 125 E CB -0.382 29.141 29.700 -0.294 0.000 1.677 125 E HN 0.517 nan 8.360 nan 0.000 0.424 126 K N 0.541 120.917 120.400 -0.041 0.000 2.216 126 K HA 0.158 4.536 4.320 0.095 0.000 0.207 126 K C 0.700 177.308 176.600 0.013 0.000 1.041 126 K CA 1.355 57.633 56.287 -0.016 0.000 0.966 126 K CB 0.306 32.787 32.500 -0.031 0.000 0.955 126 K HN 0.369 nan 8.250 nan 0.000 0.468 127 N N -0.205 118.506 118.700 0.020 0.000 2.823 127 N HA 0.283 5.080 4.740 0.095 0.000 0.251 127 N C -3.087 172.451 175.510 0.046 0.000 1.392 127 N CA -1.310 51.759 53.050 0.033 0.000 0.864 127 N CB 1.577 40.075 38.487 0.017 0.000 1.481 127 N HN -0.216 nan 8.380 nan 0.000 0.508 128 P HA 0.456 nan 4.420 nan 0.000 0.274 128 P C -0.159 177.159 177.300 0.031 0.000 1.256 128 P CA 0.203 63.335 63.100 0.053 0.000 0.795 128 P CB 1.013 32.739 31.700 0.043 0.000 1.038 129 G N -1.230 107.586 108.800 0.027 0.000 2.489 129 G HA2 0.469 4.487 3.960 0.095 0.000 0.305 129 G HA3 0.469 4.487 3.960 0.095 0.000 0.305 129 G C -1.812 173.091 174.900 0.005 0.000 1.311 129 G CA -0.350 44.758 45.100 0.013 0.000 0.813 129 G HN 0.604 nan 8.290 nan 0.000 0.480 130 S N -0.707 114.994 115.700 0.002 0.000 2.668 130 S HA 0.645 5.173 4.470 0.095 0.000 0.277 130 S C -1.037 173.566 174.600 0.003 0.000 1.170 130 S CA -0.613 57.583 58.200 -0.007 0.000 0.994 130 S CB 0.612 63.798 63.200 -0.024 0.000 1.051 130 S HN 0.573 nan 8.310 nan 0.000 0.484 131 I N 4.399 124.967 120.570 -0.004 0.000 2.354 131 I HA 0.500 4.728 4.170 0.095 0.000 0.292 131 I C -0.760 175.351 176.117 -0.010 0.000 0.989 131 I CA -0.917 60.381 61.300 -0.004 0.000 1.188 131 I CB 1.962 39.951 38.000 -0.018 0.000 1.342 131 I HN 0.306 nan 8.210 nan 0.000 0.457 132 V N 7.514 127.421 119.914 -0.011 0.000 2.378 132 V HA 0.423 4.600 4.120 0.095 0.000 0.288 132 V C -0.067 176.000 176.094 -0.045 0.000 1.016 132 V CA -0.505 61.781 62.300 -0.025 0.000 0.840 132 V CB 1.624 33.438 31.823 -0.016 0.000 0.994 132 V HN 0.486 nan 8.190 nan 0.000 0.431 133 L N 3.938 125.144 121.223 -0.028 0.000 2.317 133 L HA 0.573 4.970 4.340 0.095 0.000 0.281 133 L C 0.246 177.101 176.870 -0.025 0.000 1.024 133 L CA -0.285 54.556 54.840 0.003 0.000 0.810 133 L CB 2.039 44.108 42.059 0.015 0.000 1.240 133 L HN 0.523 nan 8.230 nan 0.000 0.427 134 T N 2.379 116.917 114.554 -0.026 0.000 2.744 134 T HA 0.557 4.965 4.350 0.095 0.000 0.291 134 T C 0.395 175.089 174.700 -0.009 0.000 0.957 134 T CA -0.273 61.830 62.100 0.004 0.000 1.002 134 T CB 1.748 70.685 68.868 0.115 0.000 0.919 134 T HN 0.760 nan 8.240 nan 0.000 0.468 135 A N 3.060 125.856 122.820 -0.040 0.000 3.658 135 A HA 0.953 5.330 4.320 0.095 0.000 0.188 135 A C 0.406 177.977 177.584 -0.021 0.000 1.601 135 A CA -0.435 51.553 52.037 -0.082 0.000 1.765 135 A CB 0.409 19.317 19.000 -0.153 0.000 1.546 135 A HN 0.799 nan 8.150 nan 0.000 0.555 136 S N -2.440 113.267 115.700 0.011 0.000 2.586 136 S HA 0.297 4.824 4.470 0.095 0.000 0.277 136 S C 0.614 175.334 174.600 0.201 0.000 1.131 136 S CA 0.180 58.452 58.200 0.120 0.000 0.848 136 S CB 1.014 64.327 63.200 0.188 0.000 1.091 136 S HN 0.935 nan 8.310 nan 0.000 0.453 137 R N 2.214 122.862 120.500 0.246 0.000 2.170 137 R HA -0.051 4.346 4.340 0.095 0.000 0.242 137 R C 1.171 177.602 176.300 0.219 0.000 1.145 137 R CA 2.451 58.757 56.100 0.343 0.000 0.984 137 R CB -1.177 29.324 30.300 0.336 0.000 0.869 137 R HN 0.546 nan 8.270 nan 0.000 0.455 138 V N 1.936 121.977 119.914 0.210 0.000 3.026 138 V HA -0.213 3.964 4.120 0.095 0.000 0.265 138 V C 2.011 178.161 176.094 0.093 0.000 1.121 138 V CA 1.516 63.917 62.300 0.169 0.000 1.142 138 V CB -1.236 30.787 31.823 0.334 0.000 0.730 138 V HN 0.505 nan 8.190 nan 0.000 0.503 139 Y N 0.144 120.461 120.300 0.029 0.000 2.483 139 Y HA -0.088 4.491 4.550 0.048 0.000 0.291 139 Y C 1.667 177.594 175.900 0.046 0.000 1.143 139 Y CA 1.158 59.252 58.100 -0.011 0.000 1.289 139 Y CB -0.644 37.789 38.460 -0.045 0.000 0.983 139 Y HN 0.269 nan 8.280 nan 0.000 0.556 140 L N 1.094 122.028 121.223 -0.482 0.000 2.599 140 L HA 0.324 4.721 4.340 0.095 0.000 0.230 140 L C 0.882 177.665 176.870 -0.144 0.000 1.141 140 L CA 0.361 54.949 54.840 -0.421 0.000 0.877 140 L CB -0.744 41.086 42.059 -0.382 0.000 1.009 140 L HN 0.543 nan 8.230 nan 0.000 0.447 141 G N 0.708 109.471 108.800 -0.060 0.000 2.784 141 G HA2 -0.134 3.883 3.960 0.095 0.000 0.686 141 G HA3 -0.134 3.883 3.960 0.095 0.000 0.686 141 G C -1.201 173.695 174.900 -0.007 0.000 1.156 141 G CA -0.785 44.305 45.100 -0.017 0.000 0.757 141 G HN 0.239 nan 8.290 nan 0.000 0.642 142 N N -0.182 118.516 118.700 -0.002 0.000 2.635 142 N HA 0.403 5.200 4.740 0.095 0.000 0.260 142 N C -0.064 175.407 175.510 -0.065 0.000 1.078 142 N CA -0.829 52.215 53.050 -0.009 0.000 1.012 142 N CB 1.207 39.718 38.487 0.040 0.000 1.677 142 N HN 0.742 nan 8.380 nan 0.000 0.514 143 L N 2.469 123.631 121.223 -0.101 0.000 2.640 143 L HA 0.112 4.509 4.340 0.095 0.000 0.280 143 L C 1.544 178.248 176.870 -0.276 0.000 1.229 143 L CA 1.352 56.047 54.840 -0.241 0.000 0.919 143 L CB -0.154 41.839 42.059 -0.110 0.000 1.168 143 L HN 1.019 nan 8.230 nan 0.000 0.496 144 G N 2.859 111.317 108.800 -0.569 0.000 2.155 144 G HA2 -0.294 3.723 3.960 0.095 0.000 0.257 144 G HA3 -0.294 3.723 3.960 0.095 0.000 0.257 144 G C 0.456 175.293 174.900 -0.106 0.000 0.983 144 G CA 0.302 45.206 45.100 -0.327 0.000 0.676 144 G HN 0.724 nan 8.290 nan 0.000 0.528 145 Q N -1.051 118.709 119.800 -0.066 0.000 2.144 145 Q HA 0.608 5.005 4.340 0.095 0.000 0.305 145 Q C 1.881 177.954 176.000 0.122 0.000 0.876 145 Q CA 0.244 56.086 55.803 0.064 0.000 1.130 145 Q CB 0.843 29.652 28.738 0.119 0.000 1.267 145 Q HN 0.561 nan 8.270 nan 0.000 0.433 146 A N 1.915 124.802 122.820 0.111 0.000 1.917 146 A HA -0.292 4.085 4.320 0.095 0.000 0.219 146 A C 1.935 179.735 177.584 0.359 0.000 1.182 146 A CA 2.354 54.516 52.037 0.207 0.000 0.633 146 A CB -0.404 18.714 19.000 0.196 0.000 0.819 146 A HN 0.598 nan 8.150 nan 0.000 0.448 147 N N -1.380 117.531 118.700 0.351 0.000 2.106 147 N HA -0.206 4.591 4.740 0.095 0.000 0.188 147 N C 1.691 177.177 175.510 -0.039 0.000 1.029 147 N CA 1.945 55.028 53.050 0.054 0.000 0.848 147 N CB -1.003 37.535 38.487 0.085 0.000 1.007 147 N HN 0.494 nan 8.380 nan 0.000 0.423 148 Y N 1.336 121.616 120.300 -0.033 0.000 2.145 148 Y HA -0.010 4.599 4.550 0.099 0.000 0.286 148 Y C 2.702 178.604 175.900 0.002 0.000 1.145 148 Y CA 1.870 59.954 58.100 -0.026 0.000 1.148 148 Y CB -0.821 37.643 38.460 0.006 0.000 0.981 148 Y HN 0.202 nan 8.280 nan 0.000 0.507 149 A N 0.065 122.923 122.820 0.065 0.000 1.933 149 A HA -0.118 4.259 4.320 0.095 0.000 0.218 149 A C 2.417 180.009 177.584 0.013 0.000 1.175 149 A CA 1.997 54.050 52.037 0.028 0.000 0.628 149 A CB -1.421 17.631 19.000 0.087 0.000 0.814 149 A HN 0.569 nan 8.150 nan 0.000 0.444 150 A N 0.153 122.985 122.820 0.020 0.000 1.897 150 A HA 0.132 4.509 4.320 0.095 0.000 0.215 150 A C 1.914 179.439 177.584 -0.098 0.000 1.181 150 A CA 1.375 53.424 52.037 0.019 0.000 0.620 150 A CB -1.062 18.010 19.000 0.120 0.000 0.821 150 A HN 0.917 nan 8.150 nan 0.000 0.443 154 G N 0.323 109.067 108.800 -0.092 0.000 2.422 154 G HA2 0.009 4.027 3.960 0.095 0.000 0.218 154 G HA3 0.009 4.027 3.960 0.095 0.000 0.218 154 G C 1.437 176.270 174.900 -0.112 0.000 1.146 154 G CA 1.780 46.825 45.100 -0.091 0.000 0.769 154 G HN 0.565 nan 8.290 nan 0.000 0.547 155 V N 0.493 120.329 119.914 -0.130 0.000 2.407 155 V HA -0.162 4.016 4.120 0.095 0.000 0.248 155 V C 3.038 179.037 176.094 -0.158 0.000 1.055 155 V CA 1.425 63.656 62.300 -0.114 0.000 1.049 155 V CB -0.172 31.591 31.823 -0.101 0.000 0.662 155 V HN 0.258 nan 8.190 nan 0.000 0.455 156 V N 0.854 120.606 119.914 -0.269 0.000 2.343 156 V HA -0.194 3.983 4.120 0.095 0.000 0.247 156 V C 2.631 178.604 176.094 -0.202 0.000 1.051 156 V CA 2.213 64.314 62.300 -0.331 0.000 1.036 156 V CB -1.420 30.000 31.823 -0.672 0.000 0.654 156 V HN 0.608 nan 8.190 nan 0.000 0.451 157 G N -0.156 108.546 108.800 -0.163 0.000 2.422 157 G HA2 -0.246 3.772 3.960 0.095 0.000 0.218 157 G HA3 -0.246 3.772 3.960 0.095 0.000 0.218 157 G C 1.580 176.439 174.900 -0.070 0.000 1.146 157 G CA 1.109 46.152 45.100 -0.095 0.000 0.769 157 G HN 0.447 nan 8.290 nan 0.000 0.547 158 L N 1.061 122.243 121.223 -0.068 0.000 2.017 158 L HA -0.020 4.378 4.340 0.095 0.000 0.208 158 L C 2.870 179.724 176.870 -0.027 0.000 1.073 158 L CA 2.693 57.514 54.840 -0.032 0.000 0.745 158 L CB -1.110 40.944 42.059 -0.009 0.000 0.894 158 L HN 0.181 nan 8.230 nan 0.000 0.432 159 T N -0.035 114.488 114.554 -0.051 0.000 2.635 159 T HA -0.231 4.176 4.350 0.095 0.000 0.267 159 T C 1.958 176.632 174.700 -0.043 0.000 1.040 159 T CA 2.017 64.087 62.100 -0.050 0.000 1.156 159 T CB -0.283 68.538 68.868 -0.077 0.000 0.863 159 T HN 0.390 nan 8.240 nan 0.000 0.430 160 R N 0.526 120.994 120.500 -0.052 0.000 2.105 160 R HA -0.069 4.328 4.340 0.095 0.000 0.239 160 R C 2.733 179.019 176.300 -0.024 0.000 1.135 160 R CA 1.653 57.729 56.100 -0.039 0.000 0.967 160 R CB -0.712 29.564 30.300 -0.041 0.000 0.861 160 R HN 0.370 nan 8.270 nan 0.000 0.442 161 T N 1.419 115.962 114.554 -0.019 0.000 2.701 161 T HA -0.073 4.334 4.350 0.095 0.000 0.263 161 T C 1.739 176.444 174.700 0.008 0.000 1.040 161 T CA 0.813 62.910 62.100 -0.005 0.000 1.147 161 T CB -0.162 68.704 68.868 -0.003 0.000 0.865 161 T HN -0.017 nan 8.240 nan 0.000 0.426 162 L N 1.426 122.654 121.223 0.009 0.000 2.079 162 L HA -0.017 4.380 4.340 0.095 0.000 0.210 162 L C 2.806 179.684 176.870 0.014 0.000 1.081 162 L CA 1.548 56.397 54.840 0.015 0.000 0.752 162 L CB -1.311 40.751 42.059 0.004 0.000 0.896 162 L HN 0.268 nan 8.230 nan 0.000 0.433 163 A N -0.981 121.837 122.820 -0.003 0.000 1.902 163 A HA -0.176 4.201 4.320 0.095 0.000 0.217 163 A C 2.334 179.917 177.584 -0.001 0.000 1.181 163 A CA 1.629 53.660 52.037 -0.009 0.000 0.623 163 A CB -0.712 18.271 19.000 -0.029 0.000 0.818 163 A HN 0.397 nan 8.150 nan 0.000 0.443 164 L N -0.854 120.369 121.223 -0.000 0.000 2.093 164 L HA -0.180 4.217 4.340 0.095 0.000 0.208 164 L C 2.565 179.452 176.870 0.028 0.000 1.085 164 L CA 1.573 56.415 54.840 0.002 0.000 0.755 164 L CB -0.485 41.574 42.059 -0.000 0.000 0.904 164 L HN 0.492 nan 8.230 nan 0.000 0.435 165 E N -0.171 120.061 120.200 0.054 0.000 2.158 165 E HA -0.100 4.307 4.350 0.095 0.000 0.191 165 E C 2.103 178.826 176.600 0.204 0.000 0.982 165 E CA 0.772 57.235 56.400 0.105 0.000 0.823 165 E CB 0.125 29.878 29.700 0.090 0.000 0.766 165 E HN 0.478 nan 8.360 nan 0.000 0.468 166 L N 0.076 121.404 121.223 0.175 0.000 2.554 166 L HA 0.164 4.561 4.340 0.095 0.000 0.225 166 L C 2.328 179.324 176.870 0.210 0.000 1.104 166 L CA 0.102 55.113 54.840 0.285 0.000 0.866 166 L CB -0.128 42.017 42.059 0.142 0.000 1.047 166 L HN 0.162 nan 8.230 nan 0.000 0.468 167 G N 1.885 110.730 108.800 0.075 0.000 2.529 167 G HA2 -0.330 3.687 3.960 0.095 0.000 0.219 167 G HA3 -0.330 3.687 3.960 0.095 0.000 0.219 167 G C 1.624 176.496 174.900 -0.047 0.000 1.177 167 G CA 1.146 46.247 45.100 0.001 0.000 0.773 167 G HN 0.513 nan 8.290 nan 0.000 0.573 168 R N -0.570 119.831 120.500 -0.165 0.000 2.293 168 R HA -0.040 4.357 4.340 0.095 0.000 0.219 168 R C 1.396 177.438 176.300 -0.431 0.000 1.091 168 R CA 1.086 56.975 56.100 -0.351 0.000 1.004 168 R CB -0.453 29.519 30.300 -0.546 0.000 0.865 168 R HN 0.558 nan 8.270 nan 0.000 0.469 169 W N 0.568 121.860 121.300 -0.014 0.000 3.330 169 W HA 0.388 5.104 4.660 0.093 0.000 0.348 169 W C 0.915 177.427 176.519 -0.013 0.000 1.205 169 W CA 0.073 57.410 57.345 -0.013 0.000 1.841 169 W CB 0.606 30.055 29.460 -0.018 0.000 1.084 169 W HN 0.333 nan 8.180 nan 0.000 0.665 170 G N 1.191 110.068 108.800 0.128 0.000 2.155 170 G HA2 -0.337 3.681 3.960 0.095 0.000 0.257 170 G HA3 -0.337 3.681 3.960 0.095 0.000 0.257 170 G C -0.019 174.930 174.900 0.082 0.000 0.983 170 G CA -0.059 45.093 45.100 0.086 0.000 0.676 170 G HN 0.292 nan 8.290 nan 0.000 0.528 171 I N 0.835 121.470 120.570 0.108 0.000 2.321 171 I HA 0.408 4.635 4.170 0.095 0.000 0.291 171 I C 0.836 176.975 176.117 0.036 0.000 0.998 171 I CA -0.768 60.572 61.300 0.068 0.000 1.227 171 I CB 1.081 39.127 38.000 0.077 0.000 1.368 171 I HN 0.016 nan 8.210 nan 0.000 0.466 172 R N 4.856 125.360 120.500 0.007 0.000 2.536 172 R HA 0.764 5.161 4.340 0.095 0.000 0.279 172 R C -1.160 175.129 176.300 -0.018 0.000 1.001 172 R CA -0.786 55.303 56.100 -0.017 0.000 1.027 172 R CB 2.107 32.384 30.300 -0.037 0.000 1.096 172 R HN 0.326 nan 8.270 nan 0.000 0.502 173 V N 2.726 122.625 119.914 -0.026 0.000 2.569 173 V HA 0.385 4.562 4.120 0.095 0.000 0.301 173 V C -0.699 175.375 176.094 -0.033 0.000 1.044 173 V CA -0.973 61.311 62.300 -0.026 0.000 0.874 173 V CB 1.758 33.568 31.823 -0.023 0.000 1.002 173 V HN 0.790 nan 8.190 nan 0.000 0.424 174 N N 1.327 120.010 118.700 -0.029 0.000 2.455 174 N HA 0.602 5.400 4.740 0.095 0.000 0.278 174 N C -1.059 174.431 175.510 -0.034 0.000 1.291 174 N CA -0.506 52.527 53.050 -0.028 0.000 0.780 174 N CB 2.596 41.077 38.487 -0.010 0.000 1.520 174 N HN 0.639 nan 8.380 nan 0.000 0.486 175 T N 0.486 115.010 114.554 -0.050 0.000 2.861 175 T HA 0.589 4.997 4.350 0.095 0.000 0.287 175 T C -0.752 173.905 174.700 -0.070 0.000 1.003 175 T CA -0.537 61.521 62.100 -0.071 0.000 0.977 175 T CB 0.572 69.365 68.868 -0.125 0.000 0.996 175 T HN 0.224 nan 8.240 nan 0.000 0.448 176 L N 3.422 124.622 121.223 -0.038 0.000 2.357 176 L HA 0.749 5.146 4.340 0.095 0.000 0.273 176 L C 0.386 177.216 176.870 -0.067 0.000 1.080 176 L CA -0.923 53.909 54.840 -0.013 0.000 0.803 176 L CB 1.495 43.600 42.059 0.077 0.000 1.174 176 L HN 0.828 nan 8.230 nan 0.000 0.443 177 A N 3.878 126.630 122.820 -0.113 0.000 3.159 177 A HA 0.496 4.873 4.320 0.095 0.000 0.330 177 A C -2.481 175.127 177.584 0.040 0.000 1.032 177 A CA -1.258 50.700 52.037 -0.131 0.000 0.841 177 A CB -0.121 18.547 19.000 -0.553 0.000 1.093 177 A HN 0.349 nan 8.150 nan 0.000 0.478 178 P HA 0.267 nan 4.420 nan 0.000 0.272 178 P C 0.641 178.043 177.300 0.171 0.000 1.240 178 P CA 0.486 63.662 63.100 0.127 0.000 0.791 178 P CB 1.366 33.120 31.700 0.089 0.000 0.978 179 G N 0.539 109.440 108.800 0.169 0.000 3.365 179 G HA2 0.225 4.242 3.960 0.095 0.000 0.185 179 G HA3 0.225 4.242 3.960 0.095 0.000 0.185 179 G C -1.019 174.009 174.900 0.213 0.000 1.565 179 G CA -0.285 44.935 45.100 0.202 0.000 0.984 179 G HN 0.452 nan 8.290 nan 0.000 0.604 180 F N 2.028 122.014 119.950 0.059 0.000 2.405 180 F HA 0.485 5.068 4.527 0.093 0.000 0.358 180 F C -0.451 175.365 175.800 0.027 0.000 1.151 180 F CA -1.885 56.136 58.000 0.035 0.000 1.161 180 F CB 0.091 39.107 39.000 0.027 0.000 1.245 180 F HN -0.139 nan 8.300 nan 0.000 0.545 181 I N 4.536 124.883 120.570 -0.372 0.000 2.377 181 I HA 0.190 4.417 4.170 0.095 0.000 0.293 181 I C -0.020 175.760 176.117 -0.561 0.000 0.987 181 I CA -0.886 60.195 61.300 -0.365 0.000 1.185 181 I CB 1.349 39.243 38.000 -0.177 0.000 1.341 181 I HN 0.419 nan 8.210 nan 0.000 0.455 182 E N 4.715 124.630 120.200 -0.476 0.000 2.129 182 E HA 0.349 4.756 4.350 0.095 0.000 0.283 182 E C -0.292 176.173 176.600 -0.224 0.000 1.080 182 E CA 0.049 56.213 56.400 -0.393 0.000 0.867 182 E CB 0.458 30.002 29.700 -0.260 0.000 1.056 182 E HN 0.771 nan 8.360 nan 0.000 0.404 183 T N 0.895 115.337 114.554 -0.188 0.000 2.778 183 T HA 0.485 4.892 4.350 0.095 0.000 0.293 183 T C 0.249 174.901 174.700 -0.081 0.000 1.144 183 T CA -1.097 60.933 62.100 -0.117 0.000 1.010 183 T CB 0.932 69.735 68.868 -0.109 0.000 1.325 183 T HN 0.440 nan 8.240 nan 0.000 0.515 187 A N 2.445 125.282 122.820 0.028 0.000 1.972 187 A HA 0.026 4.403 4.320 0.095 0.000 0.219 187 A C 2.185 179.791 177.584 0.035 0.000 1.169 187 A CA 1.214 53.267 52.037 0.026 0.000 0.635 187 A CB -0.376 18.624 19.000 0.000 0.000 0.810 187 A HN 0.409 nan 8.150 nan 0.000 0.446 188 K N 0.115 120.533 120.400 0.029 0.000 2.296 188 K HA 0.083 4.461 4.320 0.095 0.000 0.200 188 K C 0.477 177.095 176.600 0.030 0.000 1.048 188 K CA 0.149 56.449 56.287 0.022 0.000 0.966 188 K CB -0.943 31.562 32.500 0.009 0.000 0.754 188 K HN 0.301 nan 8.250 nan 0.000 0.466 189 V N 5.934 125.882 119.914 0.057 0.000 2.584 189 V HA -0.042 4.136 4.120 0.095 0.000 0.303 189 V C -1.798 174.310 176.094 0.023 0.000 1.035 189 V CA -0.879 61.448 62.300 0.044 0.000 1.172 189 V CB -0.345 31.530 31.823 0.087 0.000 0.896 189 V HN 0.192 nan 8.190 nan 0.000 0.486 190 P HA 0.104 nan 4.420 nan 0.000 0.269 190 P C 0.654 177.947 177.300 -0.012 0.000 1.209 190 P CA -0.217 62.881 63.100 -0.005 0.000 0.776 190 P CB 1.014 32.708 31.700 -0.010 0.000 0.876 191 E N 1.900 122.098 120.200 -0.003 0.000 2.160 191 E HA -0.195 4.212 4.350 0.095 0.000 0.195 191 E C 1.478 178.068 176.600 -0.017 0.000 0.991 191 E CA 1.525 57.923 56.400 -0.003 0.000 0.810 191 E CB -0.119 29.584 29.700 0.005 0.000 0.742 191 E HN 0.378 nan 8.360 nan 0.000 0.466 192 K N -0.021 120.368 120.400 -0.019 0.000 2.365 192 K HA -0.004 4.373 4.320 0.095 0.000 0.199 192 K C 1.804 178.380 176.600 -0.039 0.000 1.045 192 K CA 0.187 56.460 56.287 -0.022 0.000 0.962 192 K CB 0.125 32.615 32.500 -0.015 0.000 0.759 192 K HN -0.071 nan 8.250 nan 0.000 0.469 193 V N -0.451 119.430 119.914 -0.056 0.000 2.725 193 V HA 0.014 4.192 4.120 0.095 0.000 0.247 193 V C 2.232 178.230 176.094 -0.162 0.000 1.058 193 V CA 0.995 63.240 62.300 -0.092 0.000 1.080 193 V CB -0.185 31.584 31.823 -0.089 0.000 0.713 193 V HN 0.235 nan 8.190 nan 0.000 0.465 194 R N 0.358 120.769 120.500 -0.147 0.000 2.066 194 R HA -0.156 4.241 4.340 0.095 0.000 0.232 194 R C 2.257 178.482 176.300 -0.124 0.000 1.131 194 R CA 1.737 57.720 56.100 -0.195 0.000 0.955 194 R CB -0.120 30.151 30.300 -0.049 0.000 0.851 194 R HN 0.560 nan 8.270 nan 0.000 0.432 195 E N -0.016 120.147 120.200 -0.062 0.000 2.171 195 E HA -0.244 4.164 4.350 0.095 0.000 0.197 195 E C 1.821 178.393 176.600 -0.047 0.000 0.997 195 E CA 1.283 57.662 56.400 -0.035 0.000 0.810 195 E CB 0.079 29.767 29.700 -0.021 0.000 0.738 195 E HN 0.045 nan 8.360 nan 0.000 0.467 196 K N 0.395 120.752 120.400 -0.071 0.000 2.116 196 K HA 0.025 4.402 4.320 0.095 0.000 0.203 196 K C 1.744 178.294 176.600 -0.083 0.000 1.052 196 K CA 1.062 57.310 56.287 -0.065 0.000 0.952 196 K CB -0.166 32.298 32.500 -0.061 0.000 0.729 196 K HN 0.102 nan 8.250 nan 0.000 0.446 197 A N 0.411 123.139 122.820 -0.152 0.000 1.898 197 A HA -0.054 4.324 4.320 0.095 0.000 0.216 197 A C 2.174 179.716 177.584 -0.069 0.000 1.181 197 A CA 1.308 53.244 52.037 -0.169 0.000 0.620 197 A CB -0.570 18.175 19.000 -0.426 0.000 0.819 197 A HN 0.276 nan 8.150 nan 0.000 0.442 198 I N -0.207 120.334 120.570 -0.048 0.000 2.315 198 I HA -0.256 3.971 4.170 0.095 0.000 0.248 198 I C 2.875 179.000 176.117 0.013 0.000 1.117 198 I CA 0.949 62.263 61.300 0.023 0.000 1.404 198 I CB -0.211 37.813 38.000 0.040 0.000 1.071 198 I HN 0.360 nan 8.210 nan 0.000 0.419 199 A N 0.528 123.345 122.820 -0.006 0.000 2.015 199 A HA -0.041 4.336 4.320 0.095 0.000 0.219 199 A C 2.271 179.854 177.584 -0.002 0.000 1.163 199 A CA 1.577 53.612 52.037 -0.003 0.000 0.646 199 A CB -0.527 18.468 19.000 -0.009 0.000 0.806 199 A HN 0.419 nan 8.150 nan 0.000 0.448 200 A N -0.904 121.912 122.820 -0.006 0.000 2.278 200 A HA 0.345 4.722 4.320 0.095 0.000 0.212 200 A C 0.661 178.249 177.584 0.007 0.000 1.213 200 A CA 0.564 52.599 52.037 -0.004 0.000 0.840 200 A CB -0.358 18.636 19.000 -0.010 0.000 0.866 200 A HN 0.222 nan 8.150 nan 0.000 0.489 201 T N 1.480 116.046 114.554 0.019 0.000 2.821 201 T HA 0.350 4.757 4.350 0.095 0.000 0.307 201 T C -2.037 172.679 174.700 0.025 0.000 1.034 201 T CA -1.040 61.080 62.100 0.033 0.000 0.953 201 T CB 1.545 70.450 68.868 0.061 0.000 0.968 201 T HN 0.011 nan 8.240 nan 0.000 0.462 202 P HA -0.080 nan 4.420 nan 0.000 0.217 202 P C 1.244 178.555 177.300 0.018 0.000 1.151 202 P CA 1.011 64.118 63.100 0.012 0.000 0.849 202 P CB 0.103 31.806 31.700 0.005 0.000 0.787 203 L N -2.459 118.779 121.223 0.026 0.000 2.610 203 L HA 0.111 4.508 4.340 0.095 0.000 0.232 203 L C 1.370 178.259 176.870 0.032 0.000 1.149 203 L CA 0.601 55.458 54.840 0.028 0.000 0.872 203 L CB -1.296 40.783 42.059 0.034 0.000 0.992 203 L HN 0.134 nan 8.230 nan 0.000 0.447 204 G N 1.995 110.816 108.800 0.035 0.000 2.321 204 G HA2 -0.312 3.705 3.960 0.095 0.000 0.287 204 G HA3 -0.312 3.705 3.960 0.095 0.000 0.287 204 G C 0.299 175.229 174.900 0.049 0.000 1.018 204 G CA 0.971 46.093 45.100 0.037 0.000 0.855 204 G HN 0.641 nan 8.290 nan 0.000 0.507 205 R N -2.356 118.184 120.500 0.067 0.000 2.741 205 R HA 0.795 5.192 4.340 0.095 0.000 0.274 205 R C -0.130 176.240 176.300 0.118 0.000 1.029 205 R CA -0.514 55.635 56.100 0.081 0.000 0.880 205 R CB 0.265 30.598 30.300 0.055 0.000 1.264 205 R HN 1.080 nan 8.270 nan 0.000 0.465 206 A N 0.539 123.434 122.820 0.125 0.000 2.286 206 A HA 0.675 5.052 4.320 0.095 0.000 0.286 206 A C 0.336 177.925 177.584 0.008 0.000 1.097 206 A CA -0.009 52.093 52.037 0.108 0.000 0.821 206 A CB 0.618 19.631 19.000 0.021 0.000 1.076 206 A HN 0.821 nan 8.150 nan 0.000 0.490 207 G N -0.002 108.773 108.800 -0.042 0.000 2.504 207 G HA2 0.525 4.543 3.960 0.095 0.000 0.288 207 G HA3 0.525 4.543 3.960 0.095 0.000 0.288 207 G C -0.430 174.425 174.900 -0.074 0.000 1.182 207 G CA -0.659 44.422 45.100 -0.031 0.000 0.894 207 G HN 0.713 nan 8.290 nan 0.000 0.521 208 K N 1.437 121.815 120.400 -0.037 0.000 2.207 208 K HA 0.295 4.672 4.320 0.095 0.000 0.255 208 K C -1.656 174.915 176.600 -0.048 0.000 0.941 208 K CA -1.799 54.460 56.287 -0.047 0.000 0.825 208 K CB 2.966 35.459 32.500 -0.012 0.000 1.119 208 K HN 0.170 nan 8.250 nan 0.000 0.430 209 P HA -0.216 nan 4.420 nan 0.000 0.216 209 P C 1.326 178.580 177.300 -0.076 0.000 1.150 209 P CA 1.182 64.219 63.100 -0.105 0.000 0.843 209 P CB 0.273 31.891 31.700 -0.136 0.000 0.787 210 L N -0.021 121.175 121.223 -0.046 0.000 2.127 210 L HA -0.178 4.219 4.340 0.095 0.000 0.211 210 L C 2.391 179.292 176.870 0.052 0.000 1.089 210 L CA 1.791 56.607 54.840 -0.040 0.000 0.757 210 L CB -0.506 41.558 42.059 0.009 0.000 0.899 210 L HN 0.005 nan 8.230 nan 0.000 0.434 211 E N -1.089 119.174 120.200 0.105 0.000 2.150 211 E HA -0.191 4.216 4.350 0.095 0.000 0.193 211 E C 2.134 178.825 176.600 0.151 0.000 0.985 211 E CA 1.176 57.679 56.400 0.173 0.000 0.814 211 E CB 0.054 29.818 29.700 0.106 0.000 0.752 211 E HN 0.366 nan 8.360 nan 0.000 0.466 212 V N 1.225 121.184 119.914 0.076 0.000 2.379 212 V HA -0.196 3.981 4.120 0.095 0.000 0.245 212 V C 2.309 178.478 176.094 0.125 0.000 1.044 212 V CA 1.600 63.952 62.300 0.086 0.000 1.036 212 V CB -0.556 31.274 31.823 0.010 0.000 0.664 212 V HN 0.293 nan 8.190 nan 0.000 0.453 213 A N -0.975 121.876 122.820 0.051 0.000 1.908 213 A HA -0.267 4.110 4.320 0.095 0.000 0.218 213 A C 2.096 179.770 177.584 0.150 0.000 1.181 213 A CA 1.987 54.049 52.037 0.043 0.000 0.627 213 A CB -0.862 18.069 19.000 -0.115 0.000 0.818 213 A HN 0.598 nan 8.150 nan 0.000 0.445 214 Y N -0.309 120.092 120.300 0.168 0.000 2.274 214 Y HA -0.154 4.452 4.550 0.094 0.000 0.290 214 Y C 2.879 178.900 175.900 0.202 0.000 1.145 214 Y CA 0.778 58.983 58.100 0.174 0.000 1.203 214 Y CB -0.143 38.379 38.460 0.103 0.000 0.984 214 Y HN 0.387 nan 8.280 nan 0.000 0.533 215 A N 0.002 123.021 122.820 0.331 0.000 1.902 215 A HA -0.167 4.210 4.320 0.095 0.000 0.217 215 A C 2.382 180.165 177.584 0.331 0.000 1.181 215 A CA 1.642 53.852 52.037 0.289 0.000 0.623 215 A CB -1.159 17.969 19.000 0.213 0.000 0.818 215 A HN 0.422 nan 8.150 nan 0.000 0.443 216 A N -0.282 122.728 122.820 0.316 0.000 1.877 216 A HA -0.070 4.307 4.320 0.095 0.000 0.216 216 A C 2.205 180.040 177.584 0.417 0.000 1.186 216 A CA 1.455 53.693 52.037 0.334 0.000 0.620 216 A CB -0.686 18.503 19.000 0.316 0.000 0.822 216 A HN 0.520 nan 8.150 nan 0.000 0.443 217 L N -1.697 119.810 121.223 0.473 0.000 1.990 217 L HA -0.220 4.177 4.340 0.095 0.000 0.213 217 L C 2.467 179.434 176.870 0.161 0.000 1.072 217 L CA 2.482 57.450 54.840 0.213 0.000 0.755 217 L CB -0.461 41.747 42.059 0.248 0.000 0.889 217 L HN 0.505 nan 8.230 nan 0.000 0.432 218 F N 0.517 120.541 119.950 0.124 0.000 2.043 218 F HA -0.300 4.282 4.527 0.091 0.000 0.297 218 F C 2.251 178.089 175.800 0.062 0.000 1.121 218 F CA 1.901 59.952 58.000 0.085 0.000 1.199 218 F CB -0.511 38.550 39.000 0.101 0.000 0.968 218 F HN -0.027 nan 8.300 nan 0.000 0.478 219 L N -0.296 120.951 121.223 0.040 0.000 2.079 219 L HA -0.218 4.179 4.340 0.095 0.000 0.210 219 L C 2.510 179.316 176.870 -0.107 0.000 1.081 219 L CA 1.360 56.142 54.840 -0.097 0.000 0.752 219 L CB -0.642 41.455 42.059 0.063 0.000 0.896 219 L HN 0.326 nan 8.230 nan 0.000 0.433 220 L N -0.677 120.526 121.223 -0.033 0.000 2.270 220 L HA 0.026 4.423 4.340 0.095 0.000 0.210 220 L C 1.748 178.548 176.870 -0.116 0.000 1.104 220 L CA 0.067 54.879 54.840 -0.047 0.000 0.804 220 L CB 0.188 42.262 42.059 0.024 0.000 0.937 220 L HN 0.291 nan 8.230 nan 0.000 0.450 221 S N -1.433 114.177 115.700 -0.151 0.000 2.624 221 S HA 0.010 4.537 4.470 0.095 0.000 0.263 221 S C 0.721 175.237 174.600 -0.139 0.000 1.287 221 S CA -0.410 57.704 58.200 -0.142 0.000 0.990 221 S CB 0.669 63.803 63.200 -0.109 0.000 0.950 221 S HN 0.197 nan 8.310 nan 0.000 0.561 222 D N 0.664 121.008 120.400 -0.094 0.000 2.392 222 D HA -0.026 4.671 4.640 0.095 0.000 0.228 222 D C 1.270 177.522 176.300 -0.081 0.000 1.003 222 D CA 0.699 54.655 54.000 -0.073 0.000 0.917 222 D CB -0.130 40.645 40.800 -0.041 0.000 0.890 222 D HN 0.738 nan 8.370 nan 0.000 0.532 223 E N 0.033 120.169 120.200 -0.107 0.000 2.418 223 E HA -0.055 4.352 4.350 0.095 0.000 0.197 223 E C 1.123 177.594 176.600 -0.213 0.000 1.026 223 E CA 0.468 56.822 56.400 -0.076 0.000 0.862 223 E CB 0.159 29.884 29.700 0.042 0.000 0.799 223 E HN 0.138 nan 8.360 nan 0.000 0.518 224 S N -0.367 115.090 115.700 -0.405 0.000 2.588 224 S HA 0.080 4.607 4.470 0.095 0.000 0.245 224 S C 1.488 175.984 174.600 -0.172 0.000 1.021 224 S CA -0.074 57.841 58.200 -0.474 0.000 1.006 224 S CB 0.394 63.074 63.200 -0.866 0.000 0.830 224 S HN 0.139 nan 8.310 nan 0.000 0.468 225 S N 0.859 116.516 115.700 -0.072 0.000 2.420 225 S HA -0.095 4.432 4.470 0.095 0.000 0.237 225 S C 0.813 175.485 174.600 0.120 0.000 1.023 225 S CA 0.696 58.905 58.200 0.014 0.000 0.991 225 S CB -0.708 62.512 63.200 0.033 0.000 0.792 225 S HN 0.566 nan 8.310 nan 0.000 0.488 226 F N 1.583 121.503 119.950 -0.049 0.000 2.647 226 F HA 0.548 5.135 4.527 0.099 0.000 0.300 226 F C -0.189 175.603 175.800 -0.014 0.000 1.106 226 F CA -1.697 56.290 58.000 -0.022 0.000 1.313 226 F CB 0.211 39.208 39.000 -0.005 0.000 1.007 226 F HN 0.061 nan 8.300 nan 0.000 0.536 227 I N 0.548 121.082 120.570 -0.060 0.000 2.382 227 I HA 0.336 4.563 4.170 0.095 0.000 0.286 227 I C -0.082 175.972 176.117 -0.104 0.000 1.002 227 I CA -0.360 60.887 61.300 -0.087 0.000 1.135 227 I CB 1.775 39.766 38.000 -0.015 0.000 1.288 227 I HN -0.139 nan 8.210 nan 0.000 0.448 228 T N 3.230 117.711 114.554 -0.122 0.000 2.889 228 T HA 0.558 4.965 4.350 0.095 0.000 0.315 228 T C 0.385 175.040 174.700 -0.074 0.000 1.291 228 T CA 0.346 62.392 62.100 -0.091 0.000 1.028 228 T CB 1.591 70.398 68.868 -0.101 0.000 1.235 228 T HN 0.973 nan 8.240 nan 0.000 0.491 229 G N 2.579 111.347 108.800 -0.053 0.000 2.160 229 G HA2 -0.167 3.850 3.960 0.095 0.000 0.251 229 G HA3 -0.167 3.850 3.960 0.095 0.000 0.251 229 G C -0.090 174.789 174.900 -0.035 0.000 1.008 229 G CA 0.271 45.344 45.100 -0.045 0.000 0.724 229 G HN 0.725 nan 8.290 nan 0.000 0.514 230 Q N -0.750 119.035 119.800 -0.024 0.000 2.215 230 Q HA 0.675 5.072 4.340 0.095 0.000 0.256 230 Q C 0.018 176.006 176.000 -0.020 0.000 0.972 230 Q CA -0.742 55.060 55.803 -0.001 0.000 0.889 230 Q CB 2.291 31.049 28.738 0.033 0.000 1.281 230 Q HN 0.297 nan 8.270 nan 0.000 0.456 231 V N 2.697 122.603 119.914 -0.014 0.000 2.334 231 V HA 0.230 4.407 4.120 0.095 0.000 0.281 231 V C -0.678 175.375 176.094 -0.069 0.000 1.016 231 V CA -0.745 61.492 62.300 -0.105 0.000 0.832 231 V CB 1.359 33.088 31.823 -0.157 0.000 0.999 231 V HN 0.499 nan 8.190 nan 0.000 0.439 232 L N 6.639 127.819 121.223 -0.071 0.000 2.264 232 L HA 0.602 4.999 4.340 0.095 0.000 0.287 232 L C -0.604 176.256 176.870 -0.016 0.000 1.039 232 L CA -0.032 54.832 54.840 0.040 0.000 0.829 232 L CB 0.397 42.520 42.059 0.107 0.000 1.211 232 L HN 0.412 nan 8.230 nan 0.000 0.427 233 F N 4.662 124.674 119.950 0.104 0.000 2.456 233 F HA 0.336 4.897 4.527 0.057 0.000 0.358 233 F C 0.686 176.538 175.800 0.086 0.000 1.095 233 F CA -0.085 57.976 58.000 0.101 0.000 1.216 233 F CB 0.934 39.988 39.000 0.090 0.000 1.125 233 F HN 0.111 nan 8.300 nan 0.000 0.549 234 V N 3.343 123.398 119.914 0.235 0.000 2.320 234 V HA 0.185 4.362 4.120 0.095 0.000 0.257 234 V C -0.615 175.579 176.094 0.166 0.000 0.996 234 V CA -0.512 61.888 62.300 0.167 0.000 0.928 234 V CB 0.366 32.266 31.823 0.128 0.000 1.169 234 V HN 0.816 nan 8.190 nan 0.000 0.475 235 D N 0.631 121.142 120.400 0.186 0.000 2.594 235 D HA 0.198 4.895 4.640 0.095 0.000 0.256 235 D C 1.292 177.664 176.300 0.120 0.000 1.393 235 D CA 0.246 54.346 54.000 0.166 0.000 0.797 235 D CB 0.492 41.420 40.800 0.214 0.000 1.110 235 D HN 0.517 nan 8.370 nan 0.000 0.495 236 G N 0.365 109.223 108.800 0.098 0.000 2.258 236 G HA2 -0.033 3.984 3.960 0.095 0.000 0.274 236 G HA3 -0.033 3.984 3.960 0.095 0.000 0.274 236 G C 1.250 176.179 174.900 0.048 0.000 1.021 236 G CA 0.656 45.797 45.100 0.068 0.000 0.798 236 G HN 1.460 nan 8.290 nan 0.000 0.507 237 G N -0.944 107.879 108.800 0.039 0.000 2.159 237 G HA2 -0.236 3.781 3.960 0.095 0.000 0.256 237 G HA3 -0.236 3.781 3.960 0.095 0.000 0.256 237 G C 1.141 176.033 174.900 -0.014 0.000 0.977 237 G CA 1.278 46.378 45.100 -0.001 0.000 0.652 237 G HN 1.572 nan 8.290 nan 0.000 0.531 238 R N 0.645 121.155 120.500 0.016 0.000 2.211 238 R HA -0.004 4.393 4.340 0.095 0.000 0.240 238 R C 2.128 178.411 176.300 -0.028 0.000 1.144 238 R CA 2.583 58.692 56.100 0.016 0.000 0.992 238 R CB -0.703 29.636 30.300 0.064 0.000 0.869 238 R HN 0.367 nan 8.270 nan 0.000 0.462 239 T N -0.719 113.782 114.554 -0.088 0.000 3.054 239 T HA 0.303 4.710 4.350 0.095 0.000 0.255 239 T C 1.374 175.945 174.700 -0.215 0.000 1.035 239 T CA -0.075 61.917 62.100 -0.179 0.000 0.941 239 T CB -0.070 68.599 68.868 -0.332 0.000 1.026 239 T HN 0.175 nan 8.240 nan 0.000 0.533 240 I N 0.774 121.250 120.570 -0.156 0.000 2.179 240 I HA 0.072 4.299 4.170 0.095 0.000 0.242 240 I C 1.607 177.666 176.117 -0.097 0.000 1.088 240 I CA 0.787 62.010 61.300 -0.129 0.000 1.357 240 I CB -0.232 37.720 38.000 -0.080 0.000 1.051 240 I HN 0.257 nan 8.210 nan 0.000 0.409 241 G N -0.347 108.410 108.800 -0.073 0.000 2.511 241 G HA2 0.689 4.707 3.960 0.095 0.000 0.318 241 G HA3 0.689 4.707 3.960 0.095 0.000 0.318 241 G C -0.937 173.931 174.900 -0.053 0.000 1.210 241 G CA -0.277 44.790 45.100 -0.054 0.000 0.969 241 G HN 0.276 nan 8.290 nan 0.000 0.484 242 A N -0.265 122.529 122.820 -0.043 0.000 2.407 242 A HA 0.657 5.034 4.320 0.095 0.000 0.248 242 A C 0.708 178.278 177.584 -0.024 0.000 1.082 242 A CA 0.378 52.393 52.037 -0.036 0.000 0.785 242 A CB 0.397 19.379 19.000 -0.030 0.000 1.020 242 A HN 1.829 nan 8.150 nan 0.000 0.489 243 A N 3.740 126.548 122.820 -0.020 0.000 2.260 243 A HA 0.631 5.009 4.320 0.095 0.000 0.308 243 A C -0.956 176.624 177.584 -0.006 0.000 1.254 243 A CA -1.144 50.885 52.037 -0.013 0.000 0.874 243 A CB -0.331 18.662 19.000 -0.012 0.000 1.153 243 A HN 0.838 nan 8.150 nan 0.000 0.527 244 P HA 0.626 nan 4.420 nan 0.000 0.330 244 P C 0.540 177.846 177.300 0.010 0.000 1.414 244 P CA 0.666 63.770 63.100 0.006 0.000 0.878 244 P CB -0.123 31.580 31.700 0.005 0.000 2.176 245 A N 0.000 122.828 122.820 0.013 0.000 2.254 245 A HA 0.000 4.377 4.320 0.095 0.000 0.244 245 A CA 0.000 52.046 52.037 0.015 0.000 0.836 245 A CB 0.000 19.002 19.000 0.003 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486