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 1lkd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SIRSLGYMGF AVSDVAAWRS FLTQKLGLME AGTTDNGDLF RIDSRAWRIA DATA SEQUENCE VQQGEVDDLA FAGYEVADAA GLAQMADKLK QAGIAVTTGD ASLARRRGVT DATA SEQUENCE GLITFADPFG LPLEIYYGAS EVFEKPFLPG AAVSGFLTGE QGLGHFVRCV DATA SEQUENCE PDSDKALAFY TDVLGFQLSD VIDMKMGPDV TVPAYFLHCN ERHHTLAIAA DATA SEQUENCE FPLPKRIHHF MLEVASLDDV GFAFDRVDAD GLITSTLGRH TNDHMVSFYA DATA SEQUENCE STPSGVEVEY GWSARTVDRS WVVVRHDSPS MWGHKSV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.493 174.600 -0.179 0.000 1.055 2 S CA 0.000 58.103 58.200 -0.162 0.000 1.107 2 S CB 0.000 63.102 63.200 -0.164 0.000 0.593 3 I N 2.532 122.956 120.570 -0.244 0.000 2.618 3 I HA 0.195 4.374 4.170 0.015 0.000 0.284 3 I C 1.405 177.375 176.117 -0.245 0.000 1.146 3 I CA -0.515 60.631 61.300 -0.256 0.000 1.425 3 I CB 0.490 38.244 38.000 -0.410 0.000 1.383 3 I HN 0.614 nan 8.210 nan 0.000 0.562 4 R N 3.488 123.891 120.500 -0.162 0.000 2.206 4 R HA 0.188 4.537 4.340 0.015 0.000 0.198 4 R C 0.210 176.463 176.300 -0.079 0.000 0.986 4 R CA 0.337 56.366 56.100 -0.119 0.000 1.029 4 R CB -0.099 30.151 30.300 -0.083 0.000 0.966 4 R HN 0.825 nan 8.270 nan 0.000 0.487 5 S N -1.053 114.625 115.700 -0.037 0.000 2.656 5 S HA 0.208 4.687 4.470 0.015 0.000 0.265 5 S C -1.478 173.240 174.600 0.197 0.000 1.110 5 S CA -1.104 57.129 58.200 0.056 0.000 0.821 5 S CB 0.522 63.744 63.200 0.036 0.000 1.099 5 S HN 0.007 nan 8.310 nan 0.000 0.471 6 L N 2.087 123.453 121.223 0.238 0.000 2.313 6 L HA 0.770 5.119 4.340 0.015 0.000 0.282 6 L C 1.014 177.919 176.870 0.057 0.000 1.092 6 L CA 1.007 55.968 54.840 0.201 0.000 0.831 6 L CB 0.611 42.779 42.059 0.182 0.000 1.159 6 L HN 1.050 nan 8.230 nan 0.000 0.442 7 G N 4.432 113.217 108.800 -0.026 0.000 2.576 7 G HA2 0.131 4.100 3.960 0.015 0.000 0.210 7 G HA3 0.131 4.100 3.960 0.015 0.000 0.210 7 G C -0.463 174.377 174.900 -0.100 0.000 1.143 7 G CA 0.818 45.922 45.100 0.008 0.000 0.819 7 G HN 0.695 nan 8.290 nan 0.000 0.534 8 Y N -2.391 117.830 120.300 -0.131 0.000 2.713 8 Y HA 0.776 5.335 4.550 0.015 0.000 0.335 8 Y C -1.133 174.663 175.900 -0.173 0.000 1.222 8 Y CA -2.561 55.354 58.100 -0.307 0.000 1.061 8 Y CB 0.836 38.789 38.460 -0.846 0.000 1.314 8 Y HN -0.073 nan 8.280 nan 0.000 0.453 9 M N 1.256 120.916 119.600 0.100 0.000 2.484 9 M HA 0.710 5.199 4.480 0.015 0.000 0.289 9 M C -0.608 175.412 176.300 -0.467 0.000 1.206 9 M CA -0.835 54.314 55.300 -0.250 0.000 0.892 9 M CB 3.046 35.376 32.600 -0.450 0.000 1.712 9 M HN 1.064 nan 8.290 nan 0.000 0.462 10 G N 1.518 109.572 108.800 -1.244 0.000 2.513 10 G HA2 0.821 4.790 3.960 0.015 0.000 0.317 10 G HA3 0.821 4.790 3.960 0.015 0.000 0.317 10 G C -1.851 172.299 174.900 -1.249 0.000 1.277 10 G CA -0.284 43.985 45.100 -1.385 0.000 0.955 10 G HN 0.481 nan 8.290 nan 0.000 0.484 11 F N 0.768 120.363 119.950 -0.591 0.000 2.532 11 F HA 0.678 5.214 4.527 0.015 0.000 0.321 11 F C 0.481 175.998 175.800 -0.472 0.000 1.089 11 F CA -0.816 56.836 58.000 -0.580 0.000 0.926 11 F CB 2.810 41.289 39.000 -0.869 0.000 1.168 11 F HN 0.603 nan 8.300 nan 0.000 0.459 12 A N 2.970 125.677 122.820 -0.189 0.000 2.267 12 A HA 0.757 5.086 4.320 0.015 0.000 0.315 12 A C -0.920 176.555 177.584 -0.181 0.000 1.297 12 A CA -0.594 51.350 52.037 -0.154 0.000 0.865 12 A CB 0.481 19.428 19.000 -0.088 0.000 1.165 12 A HN 0.811 nan 8.150 nan 0.000 0.513 13 V N 0.896 120.670 119.914 -0.232 0.000 3.001 13 V HA 0.753 4.882 4.120 0.015 0.000 0.314 13 V C 0.816 176.863 176.094 -0.078 0.000 1.099 13 V CA 0.140 62.313 62.300 -0.211 0.000 0.989 13 V CB 1.588 33.100 31.823 -0.519 0.000 1.040 13 V HN 1.113 nan 8.190 nan 0.000 0.434 14 S N -0.276 115.420 115.700 -0.006 0.000 2.446 14 S HA 0.078 4.557 4.470 0.015 0.000 0.225 14 S C 0.578 175.203 174.600 0.042 0.000 1.016 14 S CA 0.970 59.180 58.200 0.017 0.000 0.943 14 S CB -0.167 63.049 63.200 0.026 0.000 0.786 14 S HN 0.912 nan 8.310 nan 0.000 0.508 15 D N 1.249 121.703 120.400 0.089 0.000 2.434 15 D HA 0.380 5.029 4.640 0.015 0.000 0.275 15 D C 0.906 177.311 176.300 0.175 0.000 1.172 15 D CA -0.370 53.700 54.000 0.116 0.000 0.916 15 D CB 1.248 42.119 40.800 0.119 0.000 1.041 15 D HN 0.008 nan 8.370 nan 0.000 0.501 16 V N 2.500 122.481 119.914 0.111 0.000 2.392 16 V HA -0.236 3.893 4.120 0.015 0.000 0.249 16 V C 2.526 178.738 176.094 0.197 0.000 1.059 16 V CA 2.194 64.574 62.300 0.133 0.000 1.051 16 V CB -0.554 31.316 31.823 0.078 0.000 0.658 16 V HN 0.580 nan 8.190 nan 0.000 0.455 17 A N -0.068 122.841 122.820 0.147 0.000 1.933 17 A HA -0.072 4.257 4.320 0.015 0.000 0.218 17 A C 2.421 180.096 177.584 0.152 0.000 1.175 17 A CA 1.947 54.068 52.037 0.140 0.000 0.628 17 A CB -0.689 18.367 19.000 0.092 0.000 0.814 17 A HN 0.566 nan 8.150 nan 0.000 0.444 18 A N -1.634 121.273 122.820 0.144 0.000 1.898 18 A HA -0.130 4.199 4.320 0.015 0.000 0.216 18 A C 1.932 179.581 177.584 0.108 0.000 1.181 18 A CA 1.357 53.452 52.037 0.096 0.000 0.620 18 A CB -0.795 18.235 19.000 0.050 0.000 0.819 18 A HN 0.716 nan 8.150 nan 0.000 0.442 19 W N -0.096 121.207 121.300 0.006 0.000 2.388 19 W HA -0.032 4.637 4.660 0.015 0.000 0.294 19 W C 2.554 179.061 176.519 -0.019 0.000 1.212 19 W CA 1.572 58.905 57.345 -0.019 0.000 1.271 19 W CB -0.130 29.282 29.460 -0.081 0.000 1.126 19 W HN 0.331 nan 8.180 nan 0.000 0.535 20 R N -0.115 120.558 120.500 0.289 0.000 2.073 20 R HA -0.187 4.163 4.340 0.015 0.000 0.234 20 R C 2.411 178.836 176.300 0.209 0.000 1.134 20 R CA 1.956 58.248 56.100 0.320 0.000 0.952 20 R CB -0.840 29.682 30.300 0.370 0.000 0.850 20 R HN 0.064 nan 8.270 nan 0.000 0.433 21 S N -0.333 115.463 115.700 0.161 0.000 2.368 21 S HA -0.170 4.309 4.470 0.015 0.000 0.225 21 S C 1.699 176.347 174.600 0.079 0.000 1.030 21 S CA 1.228 59.495 58.200 0.110 0.000 0.999 21 S CB -0.442 62.812 63.200 0.090 0.000 0.844 21 S HN 0.460 nan 8.310 nan 0.000 0.459 22 F N 2.158 122.049 119.950 -0.098 0.000 2.075 22 F HA -0.007 4.530 4.527 0.016 0.000 0.297 22 F C 1.885 177.600 175.800 -0.141 0.000 1.113 22 F CA 1.609 59.505 58.000 -0.175 0.000 1.218 22 F CB -0.498 38.290 39.000 -0.353 0.000 0.984 22 F HN 0.189 nan 8.300 nan 0.000 0.472 23 L N -0.244 120.899 121.223 -0.134 0.000 2.046 23 L HA -0.217 4.132 4.340 0.015 0.000 0.208 23 L C 2.559 179.384 176.870 -0.074 0.000 1.077 23 L CA 1.929 56.649 54.840 -0.200 0.000 0.747 23 L CB -1.303 40.524 42.059 -0.387 0.000 0.896 23 L HN 0.380 nan 8.230 nan 0.000 0.432 24 T N -3.450 111.121 114.554 0.028 0.000 2.781 24 T HA -0.142 4.217 4.350 0.015 0.000 0.252 24 T C 1.800 176.523 174.700 0.038 0.000 1.039 24 T CA 0.597 62.764 62.100 0.111 0.000 1.147 24 T CB -0.374 68.605 68.868 0.185 0.000 0.865 24 T HN 0.269 nan 8.240 nan 0.000 0.423 25 Q N 0.547 120.347 119.800 0.001 0.000 2.119 25 Q HA 0.025 4.374 4.340 0.015 0.000 0.201 25 Q C 2.477 178.425 176.000 -0.086 0.000 0.972 25 Q CA 0.908 56.696 55.803 -0.026 0.000 0.847 25 Q CB 0.027 28.758 28.738 -0.011 0.000 0.903 25 Q HN 0.358 nan 8.270 nan 0.000 0.433 26 K N 0.401 120.683 120.400 -0.197 0.000 2.078 26 K HA 0.071 4.400 4.320 0.015 0.000 0.203 26 K C 2.000 178.398 176.600 -0.337 0.000 1.043 26 K CA 0.772 56.870 56.287 -0.315 0.000 0.960 26 K CB -0.038 32.122 32.500 -0.567 0.000 0.761 26 K HN 0.193 nan 8.250 nan 0.000 0.448 27 L N -0.237 120.764 121.223 -0.371 0.000 2.446 27 L HA 0.141 4.490 4.340 0.015 0.000 0.219 27 L C 1.046 178.077 176.870 0.269 0.000 1.116 27 L CA 0.649 55.404 54.840 -0.141 0.000 0.844 27 L CB -0.251 41.759 42.059 -0.082 0.000 0.970 27 L HN 0.448 nan 8.230 nan 0.000 0.457 28 G N 0.542 109.462 108.800 0.199 0.000 2.132 28 G HA2 -0.239 3.730 3.960 0.015 0.000 0.234 28 G HA3 -0.239 3.730 3.960 0.015 0.000 0.234 28 G C -0.015 175.176 174.900 0.484 0.000 0.989 28 G CA -0.297 45.006 45.100 0.337 0.000 0.676 28 G HN 0.111 nan 8.290 nan 0.000 0.522 29 L N 0.030 121.473 121.223 0.367 0.000 2.472 29 L HA 0.644 4.993 4.340 0.015 0.000 0.260 29 L C 1.086 178.167 176.870 0.353 0.000 1.209 29 L CA -0.049 54.998 54.840 0.345 0.000 0.817 29 L CB 0.796 43.004 42.059 0.248 0.000 1.106 29 L HN 0.370 nan 8.230 nan 0.000 0.479 30 M N 1.404 121.239 119.600 0.391 0.000 2.180 30 M HA 0.294 4.783 4.480 0.015 0.000 0.350 30 M C -0.525 175.898 176.300 0.206 0.000 1.125 30 M CA -0.390 55.042 55.300 0.219 0.000 1.031 30 M CB 0.785 33.456 32.600 0.119 0.000 1.623 30 M HN 0.519 nan 8.290 nan 0.000 0.451 31 E N 3.324 123.586 120.200 0.104 0.000 2.376 31 E HA 0.200 4.559 4.350 0.015 0.000 0.266 31 E C -0.176 176.348 176.600 -0.125 0.000 1.009 31 E CA 0.023 56.355 56.400 -0.114 0.000 0.902 31 E CB 0.797 30.457 29.700 -0.067 0.000 0.972 31 E HN 0.746 nan 8.360 nan 0.000 0.439 32 A N 3.599 126.284 122.820 -0.224 0.000 2.676 32 A HA 0.521 4.850 4.320 0.015 0.000 0.297 32 A C 0.472 177.971 177.584 -0.141 0.000 1.132 32 A CA 0.246 52.216 52.037 -0.111 0.000 0.972 32 A CB 0.034 19.024 19.000 -0.018 0.000 1.197 32 A HN 0.778 nan 8.150 nan 0.000 0.524 33 G N -0.849 107.844 108.800 -0.179 0.000 2.712 33 G HA2 0.132 4.101 3.960 0.015 0.000 0.683 33 G HA3 0.132 4.101 3.960 0.015 0.000 0.683 33 G C -0.473 174.311 174.900 -0.193 0.000 1.320 33 G CA -0.336 44.672 45.100 -0.153 0.000 0.847 33 G HN 0.840 nan 8.290 nan 0.000 0.553 34 T N 0.987 115.451 114.554 -0.149 0.000 2.841 34 T HA 0.833 5.192 4.350 0.015 0.000 0.285 34 T C 0.533 175.150 174.700 -0.139 0.000 0.991 34 T CA 0.402 62.413 62.100 -0.148 0.000 0.966 34 T CB 1.708 70.513 68.868 -0.106 0.000 0.962 34 T HN 1.617 nan 8.240 nan 0.000 0.438 35 T N -1.550 112.902 114.554 -0.170 0.000 2.645 35 T HA 0.393 4.752 4.350 0.015 0.000 0.273 35 T C 0.520 175.124 174.700 -0.161 0.000 0.960 35 T CA -0.652 61.350 62.100 -0.163 0.000 1.051 35 T CB 1.077 69.824 68.868 -0.201 0.000 1.366 35 T HN 0.450 nan 8.240 nan 0.000 0.536 36 D N -0.277 120.029 120.400 -0.155 0.000 2.392 36 D HA -0.080 4.570 4.640 0.015 0.000 0.228 36 D C 1.039 177.231 176.300 -0.180 0.000 1.003 36 D CA 0.502 54.417 54.000 -0.142 0.000 0.917 36 D CB -0.426 40.300 40.800 -0.123 0.000 0.890 36 D HN 0.476 nan 8.370 nan 0.000 0.532 37 N N 0.223 118.771 118.700 -0.252 0.000 2.280 37 N HA 0.190 4.939 4.740 0.015 0.000 0.192 37 N C 0.686 176.028 175.510 -0.279 0.000 1.109 37 N CA 0.774 53.623 53.050 -0.336 0.000 0.855 37 N CB 0.758 38.892 38.487 -0.588 0.000 0.974 37 N HN 0.362 nan 8.380 nan 0.000 0.482 38 G N -0.272 108.406 108.800 -0.203 0.000 2.582 38 G HA2 -0.209 3.761 3.960 0.015 0.000 0.222 38 G HA3 -0.209 3.761 3.960 0.015 0.000 0.222 38 G C -1.446 173.366 174.900 -0.148 0.000 1.311 38 G CA -0.606 44.411 45.100 -0.137 0.000 0.915 38 G HN 0.221 nan 8.290 nan 0.000 0.528 39 D N 0.767 121.126 120.400 -0.068 0.000 2.351 39 D HA 0.512 5.161 4.640 0.015 0.000 0.251 39 D C 0.735 176.935 176.300 -0.167 0.000 1.137 39 D CA 0.296 54.232 54.000 -0.108 0.000 0.879 39 D CB 0.865 41.704 40.800 0.065 0.000 1.181 39 D HN 0.529 nan 8.370 nan 0.000 0.448 40 L N 2.402 123.398 121.223 -0.378 0.000 2.322 40 L HA 0.534 4.883 4.340 0.015 0.000 0.279 40 L C -0.441 176.115 176.870 -0.524 0.000 1.036 40 L CA -0.807 53.876 54.840 -0.261 0.000 0.807 40 L CB 0.762 42.701 42.059 -0.200 0.000 1.226 40 L HN 0.185 nan 8.230 nan 0.000 0.433 41 F N 0.753 120.815 119.950 0.187 0.000 2.565 41 F HA 0.611 5.147 4.527 0.015 0.000 0.313 41 F C 0.067 175.972 175.800 0.175 0.000 1.091 41 F CA -0.695 57.410 58.000 0.174 0.000 0.915 41 F CB 1.952 41.056 39.000 0.174 0.000 1.208 41 F HN 0.301 nan 8.300 nan 0.000 0.453 42 R N 2.311 122.996 120.500 0.308 0.000 2.832 42 R HA 0.717 5.066 4.340 0.015 0.000 0.271 42 R C 0.286 176.660 176.300 0.123 0.000 0.996 42 R CA -0.789 55.432 56.100 0.203 0.000 0.977 42 R CB 2.171 32.618 30.300 0.245 0.000 1.168 42 R HN 0.841 nan 8.270 nan 0.000 0.482 43 I N -3.502 116.909 120.570 -0.265 0.000 4.670 43 I HA 0.349 4.529 4.170 0.015 0.000 0.339 43 I C -0.519 174.924 176.117 -1.125 0.000 1.310 43 I CA -0.302 60.499 61.300 -0.832 0.000 1.288 43 I CB 0.638 38.052 38.000 -0.976 0.000 1.427 43 I HN 0.524 nan 8.210 nan 0.000 0.494 44 D N 0.735 120.720 120.400 -0.692 0.000 3.557 44 D HA 0.130 4.780 4.640 0.015 0.000 0.331 44 D C 0.896 177.050 176.300 -0.243 0.000 1.442 44 D CA 0.517 54.221 54.000 -0.493 0.000 0.971 44 D CB 0.160 40.797 40.800 -0.272 0.000 1.423 44 D HN -0.095 nan 8.370 nan 0.000 0.604 45 S N -1.444 114.103 115.700 -0.254 0.000 2.474 45 S HA -0.007 4.472 4.470 0.015 0.000 0.235 45 S C 0.811 175.184 174.600 -0.378 0.000 0.997 45 S CA 0.035 57.967 58.200 -0.447 0.000 0.949 45 S CB -0.441 62.130 63.200 -1.049 0.000 0.766 45 S HN 0.360 nan 8.310 nan 0.000 0.517 46 R N 1.288 121.643 120.500 -0.241 0.000 2.590 46 R HA 0.383 4.733 4.340 0.015 0.000 0.274 46 R C 1.659 177.911 176.300 -0.082 0.000 1.061 46 R CA 0.497 56.498 56.100 -0.166 0.000 1.081 46 R CB -0.141 30.060 30.300 -0.164 0.000 0.984 46 R HN 0.342 nan 8.270 nan 0.000 0.448 47 A N 3.763 126.572 122.820 -0.019 0.000 2.032 47 A HA -0.116 4.214 4.320 0.015 0.000 0.221 47 A C 0.382 178.111 177.584 0.242 0.000 1.165 47 A CA 1.606 53.708 52.037 0.107 0.000 0.645 47 A CB -0.298 18.807 19.000 0.174 0.000 0.807 47 A HN 0.788 nan 8.150 nan 0.000 0.453 48 W N -4.353 116.920 121.300 -0.045 0.000 3.319 48 W HA 0.631 5.301 4.660 0.017 0.000 0.300 48 W C -0.646 175.877 176.519 0.007 0.000 1.244 48 W CA -0.747 56.583 57.345 -0.024 0.000 1.193 48 W CB 0.350 29.774 29.460 -0.059 0.000 1.359 48 W HN -0.164 nan 8.180 nan 0.000 0.568 49 R N 1.064 121.562 120.500 -0.002 0.000 2.470 49 R HA 0.426 4.775 4.340 0.015 0.000 0.210 49 R C 0.098 176.434 176.300 0.060 0.000 0.873 49 R CA 0.218 56.220 56.100 -0.163 0.000 1.015 49 R CB 1.181 31.434 30.300 -0.078 0.000 1.348 49 R HN 0.493 nan 8.270 nan 0.000 0.650 50 I N 0.939 121.729 120.570 0.366 0.000 2.498 50 I HA 0.462 4.642 4.170 0.015 0.000 0.290 50 I C -0.786 175.687 176.117 0.592 0.000 1.032 50 I CA -0.991 60.564 61.300 0.424 0.000 1.073 50 I CB 2.234 40.427 38.000 0.322 0.000 1.251 50 I HN -0.085 nan 8.210 nan 0.000 0.426 51 A N 6.044 129.113 122.820 0.415 0.000 2.350 51 A HA 0.863 5.192 4.320 0.015 0.000 0.324 51 A C -1.045 176.605 177.584 0.110 0.000 1.118 51 A CA -0.526 51.620 52.037 0.181 0.000 0.783 51 A CB 1.682 20.599 19.000 -0.138 0.000 1.236 51 A HN 0.414 nan 8.150 nan 0.000 0.457 52 V N 3.396 123.389 119.914 0.132 0.000 2.443 52 V HA 0.456 4.585 4.120 0.015 0.000 0.293 52 V C -0.263 175.814 176.094 -0.028 0.000 1.021 52 V CA -0.445 61.858 62.300 0.006 0.000 0.848 52 V CB 1.232 33.108 31.823 0.088 0.000 0.998 52 V HN 1.058 nan 8.190 nan 0.000 0.424 53 Q N 2.858 122.602 119.800 -0.094 0.000 2.351 53 Q HA 0.748 5.097 4.340 0.015 0.000 0.273 53 Q C -0.728 175.223 176.000 -0.082 0.000 1.077 53 Q CA -1.129 54.633 55.803 -0.069 0.000 0.843 53 Q CB 2.273 30.981 28.738 -0.050 0.000 1.367 53 Q HN 0.521 nan 8.270 nan 0.000 0.449 54 Q N 0.258 120.027 119.800 -0.052 0.000 2.297 54 Q HA 0.511 4.860 4.340 0.015 0.000 0.267 54 Q C -0.985 174.988 176.000 -0.046 0.000 1.006 54 Q CA 0.875 56.652 55.803 -0.044 0.000 0.896 54 Q CB 0.802 29.525 28.738 -0.024 0.000 1.186 54 Q HN 0.831 nan 8.270 nan 0.000 0.392 55 G N 3.010 111.780 108.800 -0.049 0.000 2.655 55 G HA2 0.202 4.171 3.960 0.015 0.000 0.296 55 G HA3 0.202 4.171 3.960 0.015 0.000 0.296 55 G C -0.569 174.313 174.900 -0.030 0.000 1.485 55 G CA -0.636 44.441 45.100 -0.039 0.000 0.869 55 G HN 0.525 nan 8.290 nan 0.000 0.540 56 E N 0.725 120.915 120.200 -0.017 0.000 2.427 56 E HA -0.071 4.288 4.350 0.015 0.000 0.196 56 E C 2.709 179.307 176.600 -0.003 0.000 1.028 56 E CA 1.122 57.518 56.400 -0.007 0.000 0.864 56 E CB 0.326 30.025 29.700 -0.002 0.000 0.813 56 E HN 0.615 nan 8.360 nan 0.000 0.514 57 V N -0.766 119.143 119.914 -0.009 0.000 2.515 57 V HA -0.124 4.005 4.120 0.015 0.000 0.250 57 V C 0.436 176.536 176.094 0.009 0.000 1.058 57 V CA 0.962 63.261 62.300 -0.001 0.000 1.064 57 V CB -0.489 31.330 31.823 -0.008 0.000 0.675 57 V HN 0.036 nan 8.190 nan 0.000 0.461 58 D N 1.589 121.988 120.400 -0.001 0.000 2.737 58 D HA -0.144 4.505 4.640 0.015 0.000 0.238 58 D C -0.163 176.175 176.300 0.064 0.000 1.157 58 D CA 1.642 55.658 54.000 0.028 0.000 0.694 58 D CB -0.900 39.935 40.800 0.058 0.000 1.021 58 D HN 0.863 nan 8.370 nan 0.000 0.420 59 D N -0.781 119.649 120.400 0.050 0.000 2.713 59 D HA 0.295 4.944 4.640 0.015 0.000 0.306 59 D C -1.072 175.272 176.300 0.074 0.000 1.299 59 D CA -0.707 53.352 54.000 0.098 0.000 0.823 59 D CB 0.839 41.663 40.800 0.041 0.000 1.353 59 D HN 0.020 nan 8.370 nan 0.000 0.447 60 L N 1.336 122.550 121.223 -0.014 0.000 2.462 60 L HA 0.518 4.867 4.340 0.015 0.000 0.272 60 L C 0.878 177.543 176.870 -0.342 0.000 1.166 60 L CA 0.601 55.196 54.840 -0.410 0.000 0.880 60 L CB 0.671 42.427 42.059 -0.505 0.000 1.142 60 L HN 0.521 nan 8.230 nan 0.000 0.473 61 A N 5.523 128.069 122.820 -0.456 0.000 1.997 61 A HA 0.344 4.673 4.320 0.015 0.000 0.212 61 A C 0.145 177.691 177.584 -0.063 0.000 1.178 61 A CA 0.937 52.846 52.037 -0.214 0.000 0.698 61 A CB -0.269 18.643 19.000 -0.146 0.000 0.842 61 A HN 0.839 nan 8.150 nan 0.000 0.458 62 F N -4.698 115.106 119.950 -0.244 0.000 2.770 62 F HA 0.709 5.246 4.527 0.015 0.000 0.313 62 F C -0.882 174.808 175.800 -0.182 0.000 1.154 62 F CA -1.201 56.700 58.000 -0.165 0.000 0.923 62 F CB 0.644 39.601 39.000 -0.071 0.000 1.301 62 F HN 0.221 nan 8.300 nan 0.000 0.449 63 A N 0.665 123.560 122.820 0.125 0.000 2.449 63 A HA 0.874 5.203 4.320 0.015 0.000 0.302 63 A C -0.751 176.790 177.584 -0.072 0.000 1.048 63 A CA -0.444 51.578 52.037 -0.024 0.000 0.708 63 A CB 1.415 20.366 19.000 -0.083 0.000 1.274 63 A HN 1.831 nan 8.150 nan 0.000 0.410 64 G N 0.597 109.178 108.800 -0.365 0.000 2.478 64 G HA2 0.568 4.538 3.960 0.015 0.000 0.317 64 G HA3 0.568 4.538 3.960 0.015 0.000 0.317 64 G C -1.365 173.245 174.900 -0.484 0.000 1.259 64 G CA -0.247 44.491 45.100 -0.602 0.000 0.933 64 G HN 0.452 nan 8.290 nan 0.000 0.478 65 Y N 0.584 120.898 120.300 0.023 0.000 2.342 65 Y HA 0.391 4.950 4.550 0.015 0.000 0.334 65 Y C 0.678 176.397 175.900 -0.303 0.000 1.067 65 Y CA -0.919 57.167 58.100 -0.022 0.000 1.128 65 Y CB 1.897 40.417 38.460 0.100 0.000 1.200 65 Y HN 0.584 nan 8.280 nan 0.000 0.464 66 E N 3.006 123.044 120.200 -0.270 0.000 2.216 66 E HA 0.572 4.932 4.350 0.015 0.000 0.279 66 E C -1.151 175.261 176.600 -0.313 0.000 0.997 66 E CA -0.745 55.250 56.400 -0.675 0.000 0.817 66 E CB 0.995 30.409 29.700 -0.477 0.000 1.096 66 E HN 0.523 nan 8.360 nan 0.000 0.393 67 V N 0.932 120.674 119.914 -0.286 0.000 3.096 67 V HA 0.642 4.772 4.120 0.015 0.000 0.319 67 V C 0.916 176.962 176.094 -0.080 0.000 1.103 67 V CA -0.012 62.206 62.300 -0.137 0.000 1.016 67 V CB 1.198 32.965 31.823 -0.093 0.000 1.090 67 V HN 0.827 nan 8.190 nan 0.000 0.449 68 A N 1.100 123.882 122.820 -0.062 0.000 1.968 68 A HA 0.209 4.538 4.320 0.015 0.000 0.217 68 A C 0.719 178.307 177.584 0.007 0.000 1.169 68 A CA 1.820 53.842 52.037 -0.025 0.000 0.638 68 A CB -0.856 18.121 19.000 -0.038 0.000 0.812 68 A HN 1.257 nan 8.150 nan 0.000 0.446 69 D N -5.102 115.259 120.400 -0.064 0.000 2.851 69 D HA 0.492 5.141 4.640 0.015 0.000 0.339 69 D C 0.577 176.512 176.300 -0.609 0.000 1.347 69 D CA 0.012 53.911 54.000 -0.168 0.000 0.888 69 D CB 0.426 41.156 40.800 -0.116 0.000 1.431 69 D HN 0.074 nan 8.370 nan 0.000 0.509 70 A N 0.006 122.254 122.820 -0.953 0.000 1.908 70 A HA 0.134 4.463 4.320 0.015 0.000 0.218 70 A C 2.149 179.453 177.584 -0.467 0.000 1.181 70 A CA 2.989 54.375 52.037 -1.085 0.000 0.627 70 A CB -1.414 17.211 19.000 -0.624 0.000 0.818 70 A HN 0.802 nan 8.150 nan 0.000 0.445 71 A N -0.551 122.094 122.820 -0.292 0.000 1.933 71 A HA 0.112 4.442 4.320 0.015 0.000 0.218 71 A C 2.401 179.888 177.584 -0.161 0.000 1.175 71 A CA 1.930 53.862 52.037 -0.176 0.000 0.628 71 A CB -1.343 17.582 19.000 -0.125 0.000 0.814 71 A HN 0.745 nan 8.150 nan 0.000 0.444 72 G N -0.344 108.350 108.800 -0.178 0.000 2.422 72 G HA2 -0.115 3.855 3.960 0.015 0.000 0.218 72 G HA3 -0.115 3.855 3.960 0.015 0.000 0.218 72 G C 1.475 176.301 174.900 -0.123 0.000 1.146 72 G CA 1.158 46.176 45.100 -0.138 0.000 0.769 72 G HN 0.475 nan 8.290 nan 0.000 0.547 73 L N 1.328 122.463 121.223 -0.148 0.000 2.056 73 L HA 0.190 4.539 4.340 0.015 0.000 0.207 73 L C 3.048 179.885 176.870 -0.055 0.000 1.078 73 L CA 2.119 56.923 54.840 -0.059 0.000 0.749 73 L CB -0.699 41.358 42.059 -0.003 0.000 0.901 73 L HN 0.218 nan 8.230 nan 0.000 0.433 74 A N -1.124 121.643 122.820 -0.089 0.000 1.902 74 A HA -0.259 4.070 4.320 0.015 0.000 0.217 74 A C 2.184 179.725 177.584 -0.071 0.000 1.181 74 A CA 1.859 53.856 52.037 -0.067 0.000 0.623 74 A CB -0.572 18.383 19.000 -0.075 0.000 0.818 74 A HN 0.665 nan 8.150 nan 0.000 0.443 75 Q N -1.323 118.426 119.800 -0.085 0.000 2.084 75 Q HA -0.135 4.215 4.340 0.015 0.000 0.202 75 Q C 2.168 178.109 176.000 -0.099 0.000 0.978 75 Q CA 1.465 57.215 55.803 -0.088 0.000 0.844 75 Q CB -0.267 28.415 28.738 -0.093 0.000 0.898 75 Q HN 0.530 nan 8.270 nan 0.000 0.426 76 M N -0.010 119.529 119.600 -0.101 0.000 2.175 76 M HA -0.086 4.404 4.480 0.015 0.000 0.264 76 M C 2.275 178.489 176.300 -0.143 0.000 1.063 76 M CA 1.329 56.555 55.300 -0.124 0.000 1.119 76 M CB -1.150 31.392 32.600 -0.098 0.000 1.377 76 M HN 0.235 nan 8.290 nan 0.000 0.415 77 A N 0.030 122.790 122.820 -0.099 0.000 1.933 77 A HA -0.218 4.111 4.320 0.015 0.000 0.218 77 A C 1.981 179.503 177.584 -0.103 0.000 1.175 77 A CA 2.269 54.248 52.037 -0.097 0.000 0.628 77 A CB -0.928 18.049 19.000 -0.038 0.000 0.814 77 A HN 0.485 nan 8.150 nan 0.000 0.444 78 D N -0.729 119.618 120.400 -0.089 0.000 2.117 78 D HA -0.164 4.485 4.640 0.015 0.000 0.198 78 D C 1.972 178.212 176.300 -0.099 0.000 0.982 78 D CA 1.624 55.575 54.000 -0.081 0.000 0.828 78 D CB -0.118 40.640 40.800 -0.070 0.000 0.967 78 D HN 0.451 nan 8.370 nan 0.000 0.464 79 K N -0.295 120.033 120.400 -0.121 0.000 2.057 79 K HA -0.112 4.217 4.320 0.015 0.000 0.207 79 K C 2.259 178.763 176.600 -0.161 0.000 1.049 79 K CA 0.897 57.102 56.287 -0.137 0.000 0.931 79 K CB -0.150 32.255 32.500 -0.157 0.000 0.714 79 K HN 0.203 nan 8.250 nan 0.000 0.440 80 L N 0.780 121.881 121.223 -0.204 0.000 2.017 80 L HA -0.199 4.150 4.340 0.015 0.000 0.208 80 L C 2.401 179.185 176.870 -0.144 0.000 1.073 80 L CA 1.485 56.183 54.840 -0.236 0.000 0.745 80 L CB -0.254 41.571 42.059 -0.390 0.000 0.894 80 L HN 0.148 nan 8.230 nan 0.000 0.432 81 K N -0.733 119.598 120.400 -0.116 0.000 2.148 81 K HA -0.155 4.174 4.320 0.015 0.000 0.204 81 K C 2.150 178.713 176.600 -0.061 0.000 1.050 81 K CA 0.804 57.048 56.287 -0.072 0.000 0.942 81 K CB -0.040 32.425 32.500 -0.057 0.000 0.724 81 K HN 0.273 nan 8.250 nan 0.000 0.446 82 Q N -0.008 119.750 119.800 -0.070 0.000 2.226 82 Q HA -0.074 4.275 4.340 0.015 0.000 0.204 82 Q C 1.815 177.781 176.000 -0.056 0.000 0.975 82 Q CA 1.238 57.005 55.803 -0.060 0.000 0.866 82 Q CB -0.076 28.622 28.738 -0.066 0.000 0.915 82 Q HN 0.292 nan 8.270 nan 0.000 0.440 83 A N -0.456 122.324 122.820 -0.066 0.000 2.238 83 A HA 0.342 4.671 4.320 0.015 0.000 0.208 83 A C 1.403 178.970 177.584 -0.028 0.000 1.177 83 A CA 0.886 52.892 52.037 -0.052 0.000 0.804 83 A CB -0.153 18.806 19.000 -0.068 0.000 0.823 83 A HN 0.398 nan 8.150 nan 0.000 0.482 84 G N -0.829 107.952 108.800 -0.031 0.000 2.136 84 G HA2 -0.183 3.786 3.960 0.015 0.000 0.242 84 G HA3 -0.183 3.786 3.960 0.015 0.000 0.242 84 G C -0.028 174.866 174.900 -0.011 0.000 0.989 84 G CA 0.167 45.255 45.100 -0.020 0.000 0.682 84 G HN 0.308 nan 8.290 nan 0.000 0.522 85 I N 1.185 121.748 120.570 -0.011 0.000 2.472 85 I HA 0.555 4.734 4.170 0.015 0.000 0.290 85 I C 1.091 177.212 176.117 0.006 0.000 1.016 85 I CA -0.671 60.636 61.300 0.012 0.000 1.348 85 I CB 1.078 39.092 38.000 0.023 0.000 1.417 85 I HN 0.361 nan 8.210 nan 0.000 0.521 86 A N 7.180 130.023 122.820 0.038 0.000 2.410 86 A HA 0.470 4.799 4.320 0.015 0.000 0.292 86 A C -0.127 177.510 177.584 0.088 0.000 1.232 86 A CA -0.279 51.786 52.037 0.046 0.000 0.893 86 A CB -0.176 18.851 19.000 0.045 0.000 1.131 86 A HN 0.464 nan 8.150 nan 0.000 0.530 87 V N 3.083 123.030 119.914 0.056 0.000 2.483 87 V HA 0.549 4.678 4.120 0.015 0.000 0.295 87 V C 0.323 176.469 176.094 0.087 0.000 1.035 87 V CA -0.288 62.063 62.300 0.085 0.000 0.896 87 V CB 1.856 33.681 31.823 0.004 0.000 0.986 87 V HN 0.858 nan 8.190 nan 0.000 0.447 88 T N 2.458 117.087 114.554 0.123 0.000 2.824 88 T HA 0.329 4.688 4.350 0.015 0.000 0.282 88 T C 0.002 174.761 174.700 0.098 0.000 0.993 88 T CA -0.365 61.789 62.100 0.090 0.000 0.967 88 T CB 1.434 70.348 68.868 0.076 0.000 0.960 88 T HN 0.673 nan 8.240 nan 0.000 0.441 89 T N 2.925 117.524 114.554 0.074 0.000 2.814 89 T HA 0.374 4.733 4.350 0.015 0.000 0.297 89 T C 1.042 175.783 174.700 0.069 0.000 0.956 89 T CA -0.436 61.712 62.100 0.080 0.000 1.123 89 T CB 0.494 69.400 68.868 0.064 0.000 0.902 89 T HN 0.732 nan 8.240 nan 0.000 0.528 90 G N 3.340 112.189 108.800 0.081 0.000 2.343 90 G HA2 0.327 4.296 3.960 0.015 0.000 0.254 90 G HA3 0.327 4.296 3.960 0.015 0.000 0.254 90 G C 0.091 175.012 174.900 0.035 0.000 1.277 90 G CA -0.848 44.283 45.100 0.052 0.000 0.909 90 G HN 0.822 nan 8.290 nan 0.000 0.502 91 D N 1.428 121.836 120.400 0.014 0.000 2.371 91 D HA 0.336 4.986 4.640 0.015 0.000 0.242 91 D C 1.508 177.807 176.300 -0.001 0.000 1.218 91 D CA 0.077 54.081 54.000 0.007 0.000 0.945 91 D CB 0.854 41.652 40.800 -0.003 0.000 1.137 91 D HN 0.336 nan 8.370 nan 0.000 0.464 92 A N 0.783 123.602 122.820 -0.001 0.000 1.948 92 A HA -0.245 4.084 4.320 0.015 0.000 0.220 92 A C 2.187 179.757 177.584 -0.023 0.000 1.177 92 A CA 2.270 54.303 52.037 -0.008 0.000 0.636 92 A CB -1.151 17.846 19.000 -0.004 0.000 0.815 92 A HN 0.559 nan 8.150 nan 0.000 0.449 93 S N -0.968 114.715 115.700 -0.029 0.000 2.368 93 S HA -0.141 4.338 4.470 0.015 0.000 0.225 93 S C 1.909 176.470 174.600 -0.064 0.000 1.030 93 S CA 1.561 59.734 58.200 -0.045 0.000 0.999 93 S CB -0.400 62.773 63.200 -0.044 0.000 0.844 93 S HN 0.523 nan 8.310 nan 0.000 0.459 94 L N 1.783 122.969 121.223 -0.062 0.000 2.056 94 L HA 0.224 4.573 4.340 0.015 0.000 0.207 94 L C 2.490 179.313 176.870 -0.079 0.000 1.078 94 L CA 1.996 56.784 54.840 -0.087 0.000 0.749 94 L CB -1.267 40.746 42.059 -0.076 0.000 0.901 94 L HN 0.310 nan 8.230 nan 0.000 0.433 95 A N -0.246 122.548 122.820 -0.044 0.000 1.908 95 A HA -0.234 4.095 4.320 0.015 0.000 0.218 95 A C 2.417 179.971 177.584 -0.050 0.000 1.181 95 A CA 1.892 53.909 52.037 -0.033 0.000 0.627 95 A CB -0.558 18.431 19.000 -0.019 0.000 0.818 95 A HN 0.517 nan 8.150 nan 0.000 0.445 96 R N -1.137 119.329 120.500 -0.056 0.000 2.075 96 R HA -0.108 4.241 4.340 0.015 0.000 0.232 96 R C 2.530 178.773 176.300 -0.095 0.000 1.126 96 R CA 1.430 57.493 56.100 -0.061 0.000 0.963 96 R CB -0.349 29.917 30.300 -0.057 0.000 0.858 96 R HN 0.593 nan 8.270 nan 0.000 0.435 97 R N 0.777 121.202 120.500 -0.126 0.000 2.091 97 R HA -0.095 4.255 4.340 0.015 0.000 0.238 97 R C 1.875 178.022 176.300 -0.256 0.000 1.136 97 R CA 1.361 57.344 56.100 -0.194 0.000 0.959 97 R CB 0.099 30.276 30.300 -0.204 0.000 0.856 97 R HN 0.044 nan 8.270 nan 0.000 0.437 98 R N -0.757 119.637 120.500 -0.177 0.000 2.275 98 R HA 0.080 4.430 4.340 0.015 0.000 0.199 98 R C 1.012 177.373 176.300 0.102 0.000 0.989 98 R CA 0.856 56.903 56.100 -0.089 0.000 1.016 98 R CB 0.045 30.287 30.300 -0.097 0.000 0.918 98 R HN 0.533 nan 8.270 nan 0.000 0.473 99 G N 1.557 110.364 108.800 0.011 0.000 2.198 99 G HA2 -0.264 3.705 3.960 0.015 0.000 0.257 99 G HA3 -0.264 3.705 3.960 0.015 0.000 0.257 99 G C 0.250 175.165 174.900 0.025 0.000 1.042 99 G CA 0.524 45.652 45.100 0.046 0.000 0.791 99 G HN 0.307 nan 8.290 nan 0.000 0.502 100 V N -4.196 115.709 119.914 -0.014 0.000 3.096 100 V HA 0.892 5.021 4.120 0.015 0.000 0.319 100 V C 1.198 177.237 176.094 -0.093 0.000 1.103 100 V CA 0.396 62.675 62.300 -0.034 0.000 1.016 100 V CB 1.436 33.255 31.823 -0.007 0.000 1.090 100 V HN 0.141 nan 8.190 nan 0.000 0.449 101 T N 1.189 115.608 114.554 -0.225 0.000 2.937 101 T HA 0.379 4.739 4.350 0.015 0.000 0.260 101 T C 0.698 175.188 174.700 -0.350 0.000 1.051 101 T CA 1.314 63.220 62.100 -0.323 0.000 1.141 101 T CB -0.129 68.458 68.868 -0.469 0.000 0.879 101 T HN 1.349 nan 8.240 nan 0.000 0.459 102 G N 0.554 109.046 108.800 -0.513 0.000 2.720 102 G HA2 0.638 4.607 3.960 0.015 0.000 0.295 102 G HA3 0.638 4.607 3.960 0.015 0.000 0.295 102 G C -1.953 173.020 174.900 0.122 0.000 1.437 102 G CA -0.897 44.153 45.100 -0.083 0.000 0.886 102 G HN 0.473 nan 8.290 nan 0.000 0.509 103 L N -0.612 120.733 121.223 0.203 0.000 2.775 103 L HA 0.887 5.237 4.340 0.015 0.000 0.263 103 L C -1.348 175.651 176.870 0.215 0.000 1.017 103 L CA -1.409 53.586 54.840 0.258 0.000 0.891 103 L CB 2.088 44.305 42.059 0.262 0.000 1.482 103 L HN 0.786 nan 8.230 nan 0.000 0.410 104 I N -0.607 120.113 120.570 0.249 0.000 2.785 104 I HA 0.893 5.072 4.170 0.015 0.000 0.302 104 I C -0.410 175.895 176.117 0.312 0.000 1.069 104 I CA -0.428 61.017 61.300 0.241 0.000 1.045 104 I CB 2.342 40.477 38.000 0.225 0.000 1.236 104 I HN 0.811 nan 8.210 nan 0.000 0.429 105 T N 1.285 116.012 114.554 0.288 0.000 2.907 105 T HA 0.869 5.229 4.350 0.015 0.000 0.292 105 T C -0.698 174.238 174.700 0.394 0.000 1.043 105 T CA -0.525 61.719 62.100 0.240 0.000 1.003 105 T CB 1.982 70.898 68.868 0.079 0.000 1.084 105 T HN 0.932 nan 8.240 nan 0.000 0.483 106 F N -1.425 118.579 119.950 0.090 0.000 3.122 106 F HA 0.875 5.411 4.527 0.015 0.000 0.325 106 F C -1.580 174.267 175.800 0.077 0.000 1.162 106 F CA -1.601 56.445 58.000 0.077 0.000 0.876 106 F CB 0.633 39.694 39.000 0.101 0.000 1.429 106 F HN 0.922 nan 8.300 nan 0.000 0.484 107 A N 0.528 123.429 122.820 0.136 0.000 2.413 107 A HA 0.697 5.026 4.320 0.015 0.000 0.307 107 A C -1.312 176.243 177.584 -0.048 0.000 1.087 107 A CA -0.294 51.727 52.037 -0.026 0.000 0.750 107 A CB 1.035 20.019 19.000 -0.026 0.000 1.296 107 A HN 0.969 nan 8.150 nan 0.000 0.423 108 D N 0.935 121.229 120.400 -0.177 0.000 2.398 108 D HA 0.323 4.972 4.640 0.015 0.000 0.247 108 D C -2.047 173.877 176.300 -0.625 0.000 1.227 108 D CA -1.649 51.981 54.000 -0.615 0.000 0.980 108 D CB -0.237 40.376 40.800 -0.313 0.000 1.106 108 D HN 0.104 nan 8.370 nan 0.000 0.493 109 P HA -0.078 nan 4.420 nan 0.000 0.219 109 P C 0.092 176.870 177.300 -0.870 0.000 1.144 109 P CA 1.135 63.709 63.100 -0.876 0.000 0.806 109 P CB -0.078 30.991 31.700 -1.052 0.000 0.771 110 F N -2.532 117.342 119.950 -0.126 0.000 2.708 110 F HA 0.466 5.003 4.527 0.015 0.000 0.300 110 F C 1.653 177.430 175.800 -0.038 0.000 1.118 110 F CA 0.147 58.115 58.000 -0.054 0.000 1.307 110 F CB -0.142 38.849 39.000 -0.016 0.000 0.986 110 F HN -0.053 nan 8.300 nan 0.000 0.522 111 G N 0.514 109.328 108.800 0.024 0.000 2.195 111 G HA2 -0.290 3.680 3.960 0.015 0.000 0.246 111 G HA3 -0.290 3.680 3.960 0.015 0.000 0.246 111 G C 0.025 174.940 174.900 0.025 0.000 0.984 111 G CA -0.140 44.974 45.100 0.024 0.000 0.633 111 G HN 0.270 nan 8.290 nan 0.000 0.525 112 L N 2.815 124.066 121.223 0.047 0.000 2.418 112 L HA 0.585 4.934 4.340 0.015 0.000 0.274 112 L C -1.976 174.896 176.870 0.002 0.000 1.135 112 L CA -1.983 52.881 54.840 0.040 0.000 0.870 112 L CB 0.294 42.411 42.059 0.097 0.000 1.154 112 L HN -0.070 nan 8.230 nan 0.000 0.462 113 P HA 0.232 nan 4.420 nan 0.000 0.271 113 P C -0.994 176.269 177.300 -0.062 0.000 1.226 113 P CA 0.197 63.276 63.100 -0.035 0.000 0.765 113 P CB 0.641 32.355 31.700 0.023 0.000 0.835 114 L N 3.294 124.355 121.223 -0.270 0.000 2.323 114 L HA 0.573 4.922 4.340 0.015 0.000 0.265 114 L C 0.354 176.950 176.870 -0.456 0.000 1.012 114 L CA -0.707 53.917 54.840 -0.360 0.000 0.820 114 L CB 2.209 43.946 42.059 -0.536 0.000 1.334 114 L HN 0.290 nan 8.230 nan 0.000 0.427 115 E N 2.178 122.297 120.200 -0.135 0.000 2.356 115 E HA 0.590 4.949 4.350 0.015 0.000 0.275 115 E C -1.433 175.334 176.600 0.278 0.000 0.904 115 E CA -0.645 55.808 56.400 0.089 0.000 0.757 115 E CB 3.324 33.127 29.700 0.171 0.000 1.232 115 E HN 0.358 nan 8.360 nan 0.000 0.442 116 I N 2.767 123.579 120.570 0.403 0.000 2.436 116 I HA 0.422 4.601 4.170 0.015 0.000 0.289 116 I C -1.042 175.269 176.117 0.322 0.000 1.010 116 I CA -0.893 60.613 61.300 0.344 0.000 1.098 116 I CB 0.896 39.105 38.000 0.348 0.000 1.266 116 I HN 0.565 nan 8.210 nan 0.000 0.434 117 Y N 5.857 126.265 120.300 0.181 0.000 2.677 117 Y HA 0.792 5.351 4.550 0.015 0.000 0.334 117 Y C -1.509 174.537 175.900 0.244 0.000 1.154 117 Y CA -1.374 56.845 58.100 0.198 0.000 1.070 117 Y CB 1.259 39.815 38.460 0.161 0.000 1.294 117 Y HN 0.494 nan 8.280 nan 0.000 0.475 118 Y N -1.577 118.837 120.300 0.189 0.000 2.625 118 Y HA 0.704 5.263 4.550 0.015 0.000 0.338 118 Y C 0.211 176.268 175.900 0.261 0.000 1.123 118 Y CA -2.029 56.126 58.100 0.092 0.000 1.046 118 Y CB 1.577 40.053 38.460 0.026 0.000 1.299 118 Y HN 1.430 nan 8.280 nan 0.000 0.464 119 G N 0.531 109.430 108.800 0.165 0.000 2.298 119 G HA2 0.133 4.102 3.960 0.015 0.000 0.287 119 G HA3 0.133 4.102 3.960 0.015 0.000 0.287 119 G C 0.153 175.099 174.900 0.077 0.000 1.075 119 G CA 0.071 45.206 45.100 0.057 0.000 0.960 119 G HN 1.473 nan 8.290 nan 0.000 0.502 120 A N -0.139 122.801 122.820 0.199 0.000 2.327 120 A HA 0.763 5.092 4.320 0.015 0.000 0.255 120 A C 1.010 178.635 177.584 0.068 0.000 1.099 120 A CA 0.660 52.767 52.037 0.117 0.000 0.801 120 A CB 0.501 19.587 19.000 0.144 0.000 1.062 120 A HN 1.232 nan 8.150 nan 0.000 0.496 121 S N 1.110 116.833 115.700 0.039 0.000 2.513 121 S HA 0.334 4.814 4.470 0.015 0.000 0.276 121 S C -0.261 174.346 174.600 0.012 0.000 1.254 121 S CA -0.504 57.721 58.200 0.042 0.000 1.053 121 S CB 0.561 63.795 63.200 0.057 0.000 0.958 121 S HN 0.629 nan 8.310 nan 0.000 0.491 122 E N 1.649 121.859 120.200 0.017 0.000 2.214 122 E HA 0.390 4.749 4.350 0.015 0.000 0.274 122 E C -0.267 176.305 176.600 -0.047 0.000 0.977 122 E CA -0.596 55.762 56.400 -0.070 0.000 0.827 122 E CB 1.826 31.539 29.700 0.021 0.000 1.130 122 E HN 0.470 nan 8.360 nan 0.000 0.394 123 V N -0.182 119.639 119.914 -0.155 0.000 2.575 123 V HA 0.234 4.363 4.120 0.015 0.000 0.281 123 V C 0.404 176.478 176.094 -0.032 0.000 1.087 123 V CA -0.477 61.802 62.300 -0.036 0.000 1.193 123 V CB -0.839 30.982 31.823 -0.003 0.000 1.426 123 V HN 0.501 nan 8.190 nan 0.000 0.623 124 F N 1.991 121.981 119.950 0.066 0.000 2.333 124 F HA -0.054 4.482 4.527 0.015 0.000 0.300 124 F C 2.521 178.360 175.800 0.064 0.000 1.083 124 F CA 1.831 59.873 58.000 0.069 0.000 1.395 124 F CB 0.108 39.143 39.000 0.058 0.000 1.056 124 F HN 0.544 nan 8.300 nan 0.000 0.529 125 E N 1.173 121.503 120.200 0.217 0.000 2.478 125 E HA -0.141 4.218 4.350 0.015 0.000 0.198 125 E C 0.020 176.681 176.600 0.102 0.000 1.046 125 E CA 0.736 57.220 56.400 0.140 0.000 0.870 125 E CB -0.409 29.355 29.700 0.106 0.000 0.818 125 E HN 0.332 nan 8.360 nan 0.000 0.527 126 K N 2.760 123.218 120.400 0.097 0.000 2.682 126 K HA 0.287 4.616 4.320 0.015 0.000 0.189 126 K C -2.493 174.164 176.600 0.094 0.000 1.062 126 K CA -1.985 54.346 56.287 0.074 0.000 0.997 126 K CB 1.332 33.864 32.500 0.054 0.000 1.405 126 K HN 0.048 nan 8.250 nan 0.000 0.588 127 P HA -0.176 nan 4.420 nan 0.000 0.260 127 P C -0.214 177.173 177.300 0.146 0.000 1.172 127 P CA 0.027 63.215 63.100 0.146 0.000 0.760 127 P CB 0.289 32.064 31.700 0.125 0.000 0.773 128 F N 5.191 125.178 119.950 0.062 0.000 2.608 128 F HA 0.149 4.685 4.527 0.015 0.000 0.380 128 F C -0.182 175.669 175.800 0.085 0.000 1.083 128 F CA 0.018 58.059 58.000 0.069 0.000 1.266 128 F CB 0.162 39.210 39.000 0.081 0.000 1.076 128 F HN 0.215 nan 8.300 nan 0.000 0.574 129 L N 9.855 130.602 121.223 -0.793 0.000 2.415 129 L HA 0.552 4.902 4.340 0.015 0.000 0.268 129 L C -2.537 173.838 176.870 -0.826 0.000 0.984 129 L CA -2.256 52.219 54.840 -0.608 0.000 0.853 129 L CB 1.239 43.148 42.059 -0.251 0.000 1.215 129 L HN 0.406 nan 8.230 nan 0.000 0.419 130 P HA 0.153 nan 4.420 nan 0.000 0.269 130 P C 0.534 177.785 177.300 -0.081 0.000 1.215 130 P CA -0.068 62.862 63.100 -0.283 0.000 0.780 130 P CB 1.026 32.787 31.700 0.102 0.000 0.898 131 G N 0.779 109.608 108.800 0.047 0.000 2.744 131 G HA2 0.276 4.245 3.960 0.015 0.000 0.211 131 G HA3 0.276 4.245 3.960 0.015 0.000 0.211 131 G C 0.461 175.384 174.900 0.038 0.000 1.143 131 G CA 0.611 45.741 45.100 0.050 0.000 0.788 131 G HN 0.856 nan 8.290 nan 0.000 0.534 132 A N -1.144 121.709 122.820 0.056 0.000 2.583 132 A HA 0.792 5.121 4.320 0.015 0.000 0.289 132 A C -0.270 177.324 177.584 0.017 0.000 1.151 132 A CA -0.099 51.951 52.037 0.022 0.000 0.695 132 A CB 0.548 19.565 19.000 0.028 0.000 1.290 132 A HN 0.948 nan 8.150 nan 0.000 0.419 133 A N 0.533 123.327 122.820 -0.044 0.000 2.639 133 A HA 0.515 4.845 4.320 0.015 0.000 0.295 133 A C -0.459 177.122 177.584 -0.006 0.000 1.443 133 A CA 0.151 52.142 52.037 -0.077 0.000 1.117 133 A CB -1.161 17.698 19.000 -0.236 0.000 1.098 133 A HN 1.282 nan 8.150 nan 0.000 0.552 134 V N 3.068 123.009 119.914 0.046 0.000 2.577 134 V HA 0.197 4.326 4.120 0.015 0.000 0.303 134 V C 1.284 177.410 176.094 0.053 0.000 1.042 134 V CA 0.192 62.519 62.300 0.045 0.000 0.872 134 V CB 1.736 33.574 31.823 0.025 0.000 0.998 134 V HN 1.042 nan 8.190 nan 0.000 0.423 135 S N 2.755 118.471 115.700 0.027 0.000 2.447 135 S HA 0.266 4.746 4.470 0.015 0.000 0.233 135 S C 0.806 175.457 174.600 0.084 0.000 1.006 135 S CA 0.700 58.932 58.200 0.054 0.000 0.957 135 S CB 0.085 63.309 63.200 0.040 0.000 0.773 135 S HN 1.818 nan 8.310 nan 0.000 0.507 136 G N -0.525 108.286 108.800 0.019 0.000 2.358 136 G HA2 0.405 4.375 3.960 0.015 0.000 0.303 136 G HA3 0.405 4.375 3.960 0.015 0.000 0.303 136 G C -1.429 173.388 174.900 -0.139 0.000 1.537 136 G CA -1.145 43.995 45.100 0.066 0.000 0.928 136 G HN 0.142 nan 8.290 nan 0.000 0.656 137 F N -0.369 119.576 119.950 -0.009 0.000 2.458 137 F HA 0.710 5.246 4.527 0.016 0.000 0.330 137 F C 0.306 176.079 175.800 -0.045 0.000 1.082 137 F CA -0.935 57.033 58.000 -0.052 0.000 0.995 137 F CB 2.093 41.023 39.000 -0.116 0.000 1.170 137 F HN 0.393 nan 8.300 nan 0.000 0.478 138 L N 2.834 124.142 121.223 0.141 0.000 2.255 138 L HA 0.463 4.813 4.340 0.015 0.000 0.289 138 L C 0.319 177.233 176.870 0.073 0.000 1.046 138 L CA 0.299 55.189 54.840 0.084 0.000 0.816 138 L CB 0.203 42.295 42.059 0.055 0.000 1.197 138 L HN 0.874 nan 8.230 nan 0.000 0.427 139 T N 1.130 115.715 114.554 0.051 0.000 2.977 139 T HA 0.665 5.024 4.350 0.015 0.000 0.152 139 T C 1.033 175.751 174.700 0.030 0.000 0.867 139 T CA 0.316 62.435 62.100 0.031 0.000 0.917 139 T CB -0.833 68.035 68.868 0.000 0.000 2.051 139 T HN 1.025 nan 8.240 nan 0.000 0.350 140 G N 2.623 111.441 108.800 0.030 0.000 2.596 140 G HA2 -0.394 3.576 3.960 0.015 0.000 0.295 140 G HA3 -0.394 3.576 3.960 0.015 0.000 0.295 140 G C 0.782 175.701 174.900 0.032 0.000 1.240 140 G CA 1.157 46.280 45.100 0.040 0.000 0.985 140 G HN 1.221 nan 8.290 nan 0.000 0.555 141 E N 0.459 120.676 120.200 0.027 0.000 2.409 141 E HA -0.077 4.282 4.350 0.015 0.000 0.198 141 E C 2.031 178.638 176.600 0.012 0.000 1.024 141 E CA 1.482 57.892 56.400 0.017 0.000 0.861 141 E CB -0.150 29.556 29.700 0.011 0.000 0.788 141 E HN 0.703 nan 8.360 nan 0.000 0.521 142 Q N 0.686 120.496 119.800 0.017 0.000 2.360 142 Q HA 0.170 4.519 4.340 0.015 0.000 0.202 142 Q C 0.754 176.774 176.000 0.033 0.000 0.915 142 Q CA 0.183 55.997 55.803 0.018 0.000 0.943 142 Q CB 0.788 29.535 28.738 0.014 0.000 1.064 142 Q HN 0.417 nan 8.270 nan 0.000 0.511 143 G N 1.073 109.893 108.800 0.032 0.000 2.645 143 G HA2 -0.330 3.640 3.960 0.015 0.000 0.239 143 G HA3 -0.330 3.640 3.960 0.015 0.000 0.239 143 G C 0.201 175.125 174.900 0.039 0.000 1.331 143 G CA -0.111 45.013 45.100 0.040 0.000 0.890 143 G HN 0.237 nan 8.290 nan 0.000 0.572 144 L N 0.906 122.156 121.223 0.045 0.000 2.083 144 L HA 0.436 4.785 4.340 0.015 0.000 0.209 144 L C 1.931 178.847 176.870 0.076 0.000 1.083 144 L CA 3.646 58.514 54.840 0.048 0.000 0.752 144 L CB -0.854 41.236 42.059 0.052 0.000 0.899 144 L HN 2.470 nan 8.230 nan 0.000 0.433 145 G N -2.388 106.465 108.800 0.089 0.000 2.384 145 G HA2 0.109 4.078 3.960 0.015 0.000 0.113 145 G HA3 0.109 4.078 3.960 0.015 0.000 0.113 145 G C -1.037 173.933 174.900 0.116 0.000 1.224 145 G CA -0.133 45.009 45.100 0.070 0.000 1.126 145 G HN 0.768 nan 8.290 nan 0.000 0.461 146 H N -0.873 118.261 119.070 0.106 0.000 2.990 146 H HA 0.776 5.341 4.556 0.015 0.000 0.343 146 H C -1.469 173.988 175.328 0.216 0.000 1.270 146 H CA -0.536 55.540 56.048 0.046 0.000 1.118 146 H CB 2.043 31.759 29.762 -0.077 0.000 1.861 146 H HN 1.383 nan 8.280 nan 0.000 0.544 147 F N -0.755 119.406 119.950 0.352 0.000 2.645 147 F HA 0.601 5.138 4.527 0.016 0.000 0.310 147 F C -2.076 173.790 175.800 0.111 0.000 1.102 147 F CA -1.235 56.899 58.000 0.224 0.000 0.952 147 F CB 1.082 40.200 39.000 0.197 0.000 1.326 147 F HN 0.288 nan 8.300 nan 0.000 0.456 148 V N 2.740 122.853 119.914 0.331 0.000 2.328 148 V HA 0.510 4.639 4.120 0.015 0.000 0.278 148 V C -0.168 176.087 176.094 0.269 0.000 1.021 148 V CA -0.590 61.805 62.300 0.159 0.000 0.838 148 V CB 0.940 32.798 31.823 0.059 0.000 0.999 148 V HN 0.779 nan 8.190 nan 0.000 0.447 149 R N 4.045 124.662 120.500 0.196 0.000 2.267 149 R HA 0.357 4.706 4.340 0.015 0.000 0.319 149 R C -0.657 175.668 176.300 0.043 0.000 1.067 149 R CA 0.031 56.234 56.100 0.172 0.000 0.936 149 R CB 0.080 30.471 30.300 0.152 0.000 1.006 149 R HN 0.737 nan 8.270 nan 0.000 0.452 150 C N 6.127 125.468 119.300 0.067 0.000 2.415 150 C HA 0.582 5.052 4.460 0.015 0.000 0.369 150 C C 0.070 175.010 174.990 -0.083 0.000 1.279 150 C CA -0.631 58.387 59.018 0.000 0.000 1.886 150 C CB -0.315 27.490 27.740 0.109 0.000 2.468 150 C HN 0.676 nan 8.230 nan 0.000 0.553 151 V N 2.309 122.105 119.914 -0.197 0.000 3.102 151 V HA 0.655 4.784 4.120 0.015 0.000 0.312 151 V C -2.623 173.211 176.094 -0.434 0.000 1.135 151 V CA -1.747 60.305 62.300 -0.414 0.000 1.022 151 V CB 1.649 33.233 31.823 -0.398 0.000 1.056 151 V HN 0.499 nan 8.190 nan 0.000 0.436 152 P HA 0.195 nan 4.420 nan 0.000 0.226 152 P C -0.307 176.852 177.300 -0.236 0.000 1.161 152 P CA 0.974 63.850 63.100 -0.373 0.000 0.804 152 P CB 0.292 31.775 31.700 -0.363 0.000 0.829 153 D N -1.205 119.033 120.400 -0.271 0.000 2.358 153 D HA 0.176 4.825 4.640 0.015 0.000 0.253 153 D C 0.537 176.873 176.300 0.060 0.000 1.288 153 D CA -0.250 53.749 54.000 -0.001 0.000 0.950 153 D CB 0.913 41.822 40.800 0.181 0.000 1.197 153 D HN -0.301 nan 8.370 nan 0.000 0.550 154 S N 1.992 117.710 115.700 0.029 0.000 2.399 154 S HA -0.129 4.350 4.470 0.015 0.000 0.231 154 S C 1.270 175.881 174.600 0.018 0.000 1.022 154 S CA 0.779 59.013 58.200 0.057 0.000 0.983 154 S CB 0.162 63.457 63.200 0.158 0.000 0.803 154 S HN 0.553 nan 8.310 nan 0.000 0.480 155 D N 1.112 121.528 120.400 0.026 0.000 2.117 155 D HA -0.106 4.543 4.640 0.015 0.000 0.197 155 D C 1.928 178.246 176.300 0.030 0.000 0.987 155 D CA 1.010 54.999 54.000 -0.017 0.000 0.829 155 D CB -0.188 40.621 40.800 0.014 0.000 0.961 155 D HN 0.384 nan 8.370 nan 0.000 0.460 156 K N 0.757 121.224 120.400 0.112 0.000 2.057 156 K HA -0.061 4.269 4.320 0.015 0.000 0.206 156 K C 2.046 178.748 176.600 0.169 0.000 1.050 156 K CA 1.122 57.485 56.287 0.127 0.000 0.935 156 K CB 0.031 32.632 32.500 0.169 0.000 0.715 156 K HN -0.007 nan 8.250 nan 0.000 0.439 157 A N 1.263 124.262 122.820 0.297 0.000 1.898 157 A HA -0.138 4.191 4.320 0.015 0.000 0.216 157 A C 2.043 179.824 177.584 0.327 0.000 1.181 157 A CA 1.240 53.510 52.037 0.389 0.000 0.620 157 A CB -0.638 18.626 19.000 0.441 0.000 0.819 157 A HN 0.375 nan 8.150 nan 0.000 0.442 158 L N -0.130 121.159 121.223 0.109 0.000 2.042 158 L HA -0.113 4.236 4.340 0.015 0.000 0.210 158 L C 2.686 179.576 176.870 0.033 0.000 1.076 158 L CA 2.224 57.051 54.840 -0.021 0.000 0.749 158 L CB -0.676 41.195 42.059 -0.314 0.000 0.893 158 L HN 0.351 nan 8.230 nan 0.000 0.432 159 A N -1.196 121.645 122.820 0.034 0.000 1.933 159 A HA -0.252 4.077 4.320 0.015 0.000 0.218 159 A C 2.236 179.847 177.584 0.045 0.000 1.175 159 A CA 1.824 53.875 52.037 0.024 0.000 0.628 159 A CB -1.076 17.936 19.000 0.021 0.000 0.814 159 A HN 0.561 nan 8.150 nan 0.000 0.444 160 F N -0.815 119.102 119.950 -0.055 0.000 2.084 160 F HA -0.121 4.416 4.527 0.016 0.000 0.296 160 F C 2.091 177.804 175.800 -0.145 0.000 1.111 160 F CA 1.623 59.539 58.000 -0.139 0.000 1.224 160 F CB -0.472 38.386 39.000 -0.237 0.000 0.991 160 F HN 0.262 nan 8.300 nan 0.000 0.471 161 Y N 0.410 120.717 120.300 0.012 0.000 2.293 161 Y HA -0.165 4.394 4.550 0.016 0.000 0.291 161 Y C 2.592 178.467 175.900 -0.041 0.000 1.137 161 Y CA 1.876 59.928 58.100 -0.079 0.000 1.202 161 Y CB -1.027 37.367 38.460 -0.111 0.000 0.990 161 Y HN 0.078 nan 8.280 nan 0.000 0.537 162 T N -0.926 113.665 114.554 0.061 0.000 2.837 162 T HA -0.098 4.261 4.350 0.015 0.000 0.248 162 T C 1.319 175.975 174.700 -0.073 0.000 1.033 162 T CA 1.327 63.433 62.100 0.009 0.000 1.150 162 T CB -0.271 68.589 68.868 -0.014 0.000 0.865 162 T HN 0.204 nan 8.240 nan 0.000 0.425 163 D N 0.929 121.272 120.400 -0.096 0.000 2.144 163 D HA -0.024 4.625 4.640 0.015 0.000 0.200 163 D C 2.139 178.330 176.300 -0.182 0.000 0.978 163 D CA 0.757 54.687 54.000 -0.117 0.000 0.833 163 D CB -0.167 40.581 40.800 -0.086 0.000 0.961 163 D HN 0.228 nan 8.370 nan 0.000 0.470 164 V N 0.547 120.281 119.914 -0.301 0.000 2.436 164 V HA -0.003 4.126 4.120 0.015 0.000 0.240 164 V C 2.402 178.250 176.094 -0.411 0.000 1.040 164 V CA 0.530 62.587 62.300 -0.405 0.000 1.052 164 V CB -0.154 31.283 31.823 -0.643 0.000 0.707 164 V HN 0.100 nan 8.190 nan 0.000 0.469 165 L N 0.604 121.552 121.223 -0.459 0.000 2.492 165 L HA 0.260 4.609 4.340 0.015 0.000 0.223 165 L C 1.783 178.519 176.870 -0.223 0.000 1.132 165 L CA 1.025 55.702 54.840 -0.273 0.000 0.850 165 L CB -0.441 41.564 42.059 -0.089 0.000 0.966 165 L HN 0.650 nan 8.230 nan 0.000 0.454 166 G N -0.220 108.473 108.800 -0.178 0.000 2.159 166 G HA2 -0.297 3.673 3.960 0.015 0.000 0.256 166 G HA3 -0.297 3.673 3.960 0.015 0.000 0.256 166 G C 0.158 174.917 174.900 -0.234 0.000 0.977 166 G CA -0.378 44.598 45.100 -0.206 0.000 0.652 166 G HN 0.156 nan 8.290 nan 0.000 0.531 167 F N 0.938 120.770 119.950 -0.197 0.000 2.496 167 F HA 0.493 5.029 4.527 0.015 0.000 0.344 167 F C 1.046 176.691 175.800 -0.259 0.000 1.155 167 F CA 0.302 58.167 58.000 -0.226 0.000 1.302 167 F CB 0.694 39.587 39.000 -0.177 0.000 1.159 167 F HN 0.013 nan 8.300 nan 0.000 0.595 168 Q N 2.177 121.824 119.800 -0.255 0.000 2.342 168 Q HA 0.367 4.716 4.340 0.015 0.000 0.267 168 Q C -1.030 174.774 176.000 -0.326 0.000 1.038 168 Q CA -1.232 54.354 55.803 -0.361 0.000 0.832 168 Q CB 2.507 30.903 28.738 -0.570 0.000 1.323 168 Q HN 0.517 nan 8.270 nan 0.000 0.448 169 L N 1.122 122.304 121.223 -0.068 0.000 2.410 169 L HA 0.116 4.466 4.340 0.015 0.000 0.273 169 L C 0.656 177.663 176.870 0.229 0.000 1.152 169 L CA 0.978 55.869 54.840 0.084 0.000 0.855 169 L CB 0.693 42.833 42.059 0.136 0.000 1.129 169 L HN 0.600 nan 8.230 nan 0.000 0.463 170 S N 2.015 117.858 115.700 0.240 0.000 2.438 170 S HA 0.205 4.684 4.470 0.015 0.000 0.220 170 S C -0.523 174.409 174.600 0.553 0.000 1.045 170 S CA 0.651 58.991 58.200 0.233 0.000 0.940 170 S CB -0.001 62.968 63.200 -0.385 0.000 0.863 170 S HN 0.933 nan 8.310 nan 0.000 0.539 171 D N -1.236 119.414 120.400 0.416 0.000 2.713 171 D HA 0.526 5.176 4.640 0.015 0.000 0.306 171 D C -1.494 175.045 176.300 0.399 0.000 1.299 171 D CA -0.688 53.564 54.000 0.419 0.000 0.823 171 D CB 1.119 42.220 40.800 0.502 0.000 1.353 171 D HN 0.011 nan 8.370 nan 0.000 0.447 172 V N -0.126 119.975 119.914 0.312 0.000 2.735 172 V HA 0.582 4.711 4.120 0.015 0.000 0.310 172 V C -0.551 175.668 176.094 0.208 0.000 1.061 172 V CA -0.664 61.755 62.300 0.198 0.000 0.913 172 V CB 1.706 33.560 31.823 0.053 0.000 1.005 172 V HN 0.560 nan 8.190 nan 0.000 0.428 173 I N 2.696 123.375 120.570 0.182 0.000 2.447 173 I HA 0.376 4.555 4.170 0.015 0.000 0.287 173 I C -0.836 175.324 176.117 0.071 0.000 1.023 173 I CA -0.468 60.929 61.300 0.162 0.000 1.083 173 I CB 1.969 40.067 38.000 0.164 0.000 1.245 173 I HN 0.534 nan 8.210 nan 0.000 0.434 174 D N 8.256 128.690 120.400 0.057 0.000 2.422 174 D HA 0.220 4.869 4.640 0.015 0.000 0.227 174 D C 0.010 176.345 176.300 0.058 0.000 1.190 174 D CA -0.164 53.853 54.000 0.029 0.000 0.905 174 D CB 0.951 41.767 40.800 0.025 0.000 1.034 174 D HN 0.249 nan 8.370 nan 0.000 0.507 175 M N 1.983 121.629 119.600 0.076 0.000 2.251 175 M HA 0.066 4.556 4.480 0.015 0.000 0.346 175 M C 0.564 176.909 176.300 0.074 0.000 1.499 175 M CA 0.120 55.479 55.300 0.097 0.000 1.128 175 M CB 0.128 32.836 32.600 0.180 0.000 1.809 175 M HN -0.117 nan 8.290 nan 0.000 0.464 176 K N 4.649 125.080 120.400 0.051 0.000 2.349 176 K HA 0.326 4.655 4.320 0.015 0.000 0.288 176 K C 0.029 176.646 176.600 0.028 0.000 1.058 176 K CA 0.335 56.645 56.287 0.039 0.000 0.953 176 K CB 0.634 33.153 32.500 0.032 0.000 0.997 176 K HN 0.665 nan 8.250 nan 0.000 0.477 177 M N 2.549 122.169 119.600 0.033 0.000 3.101 177 M HA 0.219 4.708 4.480 0.015 0.000 0.307 177 M C -0.227 176.086 176.300 0.021 0.000 1.315 177 M CA -0.399 54.914 55.300 0.021 0.000 0.734 177 M CB 1.469 34.091 32.600 0.038 0.000 1.392 177 M HN 0.909 nan 8.290 nan 0.000 0.496 178 G N 0.498 109.308 108.800 0.018 0.000 2.576 178 G HA2 -0.073 3.896 3.960 0.015 0.000 0.686 178 G HA3 -0.073 3.896 3.960 0.015 0.000 0.686 178 G C -2.898 172.014 174.900 0.020 0.000 1.242 178 G CA -1.284 43.827 45.100 0.017 0.000 0.819 178 G HN 0.211 nan 8.290 nan 0.000 0.655 179 P HA -0.008 nan 4.420 nan 0.000 0.217 179 P C 0.811 178.122 177.300 0.019 0.000 1.148 179 P CA 1.692 64.803 63.100 0.018 0.000 0.828 179 P CB 0.171 31.880 31.700 0.015 0.000 0.783 180 D N -1.721 118.691 120.400 0.020 0.000 2.440 180 D HA 0.138 4.787 4.640 0.015 0.000 0.216 180 D C -0.260 176.055 176.300 0.025 0.000 1.150 180 D CA 0.253 54.265 54.000 0.021 0.000 0.832 180 D CB 1.028 41.839 40.800 0.019 0.000 0.992 180 D HN 0.029 nan 8.370 nan 0.000 0.502 181 V N 0.775 120.706 119.914 0.028 0.000 2.525 181 V HA 0.385 4.514 4.120 0.015 0.000 0.299 181 V C -0.263 175.855 176.094 0.040 0.000 1.034 181 V CA -0.376 61.945 62.300 0.035 0.000 0.863 181 V CB 2.262 34.108 31.823 0.038 0.000 0.999 181 V HN -0.135 nan 8.190 nan 0.000 0.423 182 T N 3.983 118.562 114.554 0.042 0.000 3.011 182 T HA 0.507 4.866 4.350 0.015 0.000 0.303 182 T C -1.036 173.690 174.700 0.044 0.000 0.997 182 T CA -0.378 61.748 62.100 0.044 0.000 1.007 182 T CB 1.803 70.692 68.868 0.035 0.000 1.017 182 T HN 0.515 nan 8.240 nan 0.000 0.443 183 V N 6.070 126.019 119.914 0.059 0.000 2.495 183 V HA 0.744 4.874 4.120 0.015 0.000 0.298 183 V C -2.522 173.556 176.094 -0.026 0.000 1.031 183 V CA -2.682 59.636 62.300 0.029 0.000 0.871 183 V CB 2.106 33.968 31.823 0.065 0.000 0.988 183 V HN 0.611 nan 8.190 nan 0.000 0.432 184 P HA 0.420 nan 4.420 nan 0.000 0.285 184 P C -1.117 175.908 177.300 -0.457 0.000 1.259 184 P CA -0.289 62.642 63.100 -0.282 0.000 0.794 184 P CB 1.707 33.198 31.700 -0.349 0.000 0.940 185 A N 4.024 126.591 122.820 -0.422 0.000 2.303 185 A HA 0.605 4.934 4.320 0.015 0.000 0.320 185 A C -1.210 176.028 177.584 -0.577 0.000 1.192 185 A CA -0.581 51.181 52.037 -0.458 0.000 0.821 185 A CB 0.438 19.328 19.000 -0.183 0.000 1.188 185 A HN 0.445 nan 8.150 nan 0.000 0.492 186 Y N 1.080 121.160 120.300 -0.368 0.000 2.330 186 Y HA 0.573 5.132 4.550 0.015 0.000 0.336 186 Y C -0.635 174.942 175.900 -0.538 0.000 1.036 186 Y CA -0.414 57.541 58.100 -0.241 0.000 1.125 186 Y CB 1.331 39.698 38.460 -0.155 0.000 1.194 186 Y HN 0.554 nan 8.280 nan 0.000 0.469 187 F N 4.033 123.973 119.950 -0.016 0.000 2.426 187 F HA 0.590 5.127 4.527 0.016 0.000 0.348 187 F C -0.585 175.175 175.800 -0.066 0.000 1.124 187 F CA -0.915 56.994 58.000 -0.152 0.000 1.008 187 F CB 0.910 39.744 39.000 -0.277 0.000 1.139 187 F HN 0.174 nan 8.300 nan 0.000 0.452 188 L N 4.306 125.547 121.223 0.030 0.000 2.346 188 L HA 0.571 4.920 4.340 0.015 0.000 0.274 188 L C -0.302 176.642 176.870 0.125 0.000 1.007 188 L CA -0.979 53.875 54.840 0.024 0.000 0.818 188 L CB 1.845 43.859 42.059 -0.074 0.000 1.284 188 L HN 0.613 nan 8.230 nan 0.000 0.424 189 H N 0.589 119.687 119.070 0.047 0.000 2.670 189 H HA 0.481 5.047 4.556 0.017 0.000 0.361 189 H C -0.175 175.155 175.328 0.003 0.000 1.169 189 H CA -1.001 55.053 56.048 0.009 0.000 1.198 189 H CB 2.144 31.799 29.762 -0.177 0.000 1.700 189 H HN 0.857 nan 8.280 nan 0.000 0.542 190 C N 0.793 120.098 119.300 0.008 0.000 3.911 190 C HA 0.381 4.851 4.460 0.015 0.000 0.318 190 C C -0.227 174.704 174.990 -0.099 0.000 1.643 190 C CA 0.021 58.894 59.018 -0.242 0.000 1.845 190 C CB -1.624 25.747 27.740 -0.616 0.000 2.981 190 C HN 0.941 nan 8.230 nan 0.000 0.656 191 N N 0.073 118.782 118.700 0.016 0.000 3.517 191 N HA 0.178 4.927 4.740 0.015 0.000 0.329 191 N C 0.100 175.591 175.510 -0.031 0.000 1.569 191 N CA -0.507 52.538 53.050 -0.008 0.000 0.852 191 N CB 0.050 38.523 38.487 -0.023 0.000 1.955 191 N HN 0.036 nan 8.380 nan 0.000 0.555 192 E N -0.688 119.478 120.200 -0.056 0.000 2.268 192 E HA -0.098 4.261 4.350 0.015 0.000 0.195 192 E C 0.091 176.619 176.600 -0.119 0.000 0.995 192 E CA 0.422 56.761 56.400 -0.102 0.000 0.836 192 E CB 0.074 29.735 29.700 -0.063 0.000 0.763 192 E HN 0.269 nan 8.360 nan 0.000 0.491 193 R N 1.411 121.873 120.500 -0.063 0.000 2.484 193 R HA -0.080 4.269 4.340 0.015 0.000 0.293 193 R C 1.498 177.752 176.300 -0.076 0.000 1.023 193 R CA -0.022 56.052 56.100 -0.043 0.000 1.037 193 R CB 0.302 30.602 30.300 -0.000 0.000 0.951 193 R HN 0.214 nan 8.270 nan 0.000 0.418 194 H N 4.198 123.161 119.070 -0.178 0.000 2.325 194 H HA -0.200 4.365 4.556 0.015 0.000 0.293 194 H C -0.327 174.996 175.328 -0.008 0.000 1.106 194 H CA 2.286 58.198 56.048 -0.226 0.000 1.247 194 H CB 0.225 29.889 29.762 -0.163 0.000 1.359 194 H HN 0.735 nan 8.280 nan 0.000 0.488 195 H N -3.426 115.661 119.070 0.028 0.000 3.038 195 H HA 0.256 4.822 4.556 0.015 0.000 0.362 195 H C -0.392 174.981 175.328 0.074 0.000 1.167 195 H CA -0.192 55.871 56.048 0.025 0.000 1.197 195 H CB 1.325 31.144 29.762 0.094 0.000 1.840 195 H HN -0.079 nan 8.280 nan 0.000 0.540 196 T N 2.269 116.897 114.554 0.124 0.000 2.990 196 T HA 0.151 4.510 4.350 0.015 0.000 0.250 196 T C 0.126 174.804 174.700 -0.036 0.000 1.041 196 T CA 0.193 62.363 62.100 0.116 0.000 1.010 196 T CB 0.055 69.073 68.868 0.250 0.000 1.003 196 T HN 0.440 nan 8.240 nan 0.000 0.499 197 L N 1.017 122.162 121.223 -0.130 0.000 2.482 197 L HA 0.800 5.149 4.340 0.015 0.000 0.263 197 L C -1.824 174.850 176.870 -0.326 0.000 0.957 197 L CA -0.774 53.806 54.840 -0.434 0.000 0.836 197 L CB 1.573 43.101 42.059 -0.885 0.000 1.324 197 L HN -0.016 nan 8.230 nan 0.000 0.406 198 A N 5.087 127.695 122.820 -0.353 0.000 2.380 198 A HA 0.923 5.253 4.320 0.015 0.000 0.315 198 A C -1.232 176.106 177.584 -0.411 0.000 1.101 198 A CA -0.516 51.206 52.037 -0.526 0.000 0.771 198 A CB 1.240 19.812 19.000 -0.714 0.000 1.287 198 A HN 0.657 nan 8.150 nan 0.000 0.436 199 I N 0.746 121.078 120.570 -0.397 0.000 2.533 199 I HA 0.683 4.862 4.170 0.015 0.000 0.290 199 I C 0.048 175.994 176.117 -0.284 0.000 1.056 199 I CA -0.310 60.842 61.300 -0.246 0.000 1.057 199 I CB 2.171 40.097 38.000 -0.122 0.000 1.240 199 I HN 0.860 nan 8.210 nan 0.000 0.423 200 A N 4.114 126.694 122.820 -0.401 0.000 2.604 200 A HA 0.833 5.162 4.320 0.015 0.000 0.295 200 A C -1.108 176.091 177.584 -0.641 0.000 1.067 200 A CA -0.609 51.016 52.037 -0.687 0.000 0.683 200 A CB 1.635 19.759 19.000 -1.459 0.000 1.281 200 A HN 0.786 nan 8.150 nan 0.000 0.407 201 A N 1.527 124.046 122.820 -0.501 0.000 3.016 201 A HA 0.635 4.964 4.320 0.015 0.000 0.303 201 A C -0.831 176.663 177.584 -0.151 0.000 1.507 201 A CA -0.137 51.740 52.037 -0.268 0.000 1.196 201 A CB -0.964 17.955 19.000 -0.136 0.000 1.169 201 A HN 0.575 nan 8.150 nan 0.000 0.544 202 F N 1.604 121.543 119.950 -0.018 0.000 2.377 202 F HA 0.453 4.989 4.527 0.015 0.000 0.328 202 F C -1.534 174.272 175.800 0.009 0.000 1.094 202 F CA -2.520 55.482 58.000 0.003 0.000 1.093 202 F CB 0.820 39.840 39.000 0.032 0.000 1.214 202 F HN 0.309 nan 8.300 nan 0.000 0.518 203 P HA 0.250 nan 4.420 nan 0.000 0.225 203 P C -1.024 176.342 177.300 0.110 0.000 1.813 203 P CA 0.415 63.587 63.100 0.121 0.000 1.013 203 P CB -0.081 31.670 31.700 0.084 0.000 1.961 204 L N 2.913 124.216 121.223 0.133 0.000 2.362 204 L HA 0.456 4.806 4.340 0.015 0.000 0.271 204 L C -1.302 175.616 176.870 0.079 0.000 1.002 204 L CA -1.995 52.913 54.840 0.112 0.000 0.818 204 L CB 2.678 44.839 42.059 0.170 0.000 1.298 204 L HN -0.067 nan 8.230 nan 0.000 0.420 205 P HA 0.169 nan 4.420 nan 0.000 0.249 205 P C -0.586 176.742 177.300 0.048 0.000 1.544 205 P CA 0.033 63.160 63.100 0.044 0.000 0.932 205 P CB 0.330 32.051 31.700 0.034 0.000 1.524 206 K N -0.079 120.360 120.400 0.064 0.000 2.400 206 K HA 0.368 4.698 4.320 0.015 0.000 0.246 206 K C 1.150 177.793 176.600 0.071 0.000 0.995 206 K CA -0.886 55.441 56.287 0.068 0.000 0.840 206 K CB 1.829 34.380 32.500 0.084 0.000 1.293 206 K HN -0.203 nan 8.250 nan 0.000 0.445 207 R N 0.220 120.752 120.500 0.054 0.000 2.115 207 R HA 0.077 4.426 4.340 0.015 0.000 0.226 207 R C 0.955 177.293 176.300 0.064 0.000 1.100 207 R CA 1.110 57.234 56.100 0.040 0.000 0.980 207 R CB -0.211 30.085 30.300 -0.007 0.000 0.875 207 R HN 0.554 nan 8.270 nan 0.000 0.445 208 I N -4.475 116.151 120.570 0.094 0.000 2.865 208 I HA 0.231 4.410 4.170 0.015 0.000 0.302 208 I C 0.864 177.133 176.117 0.253 0.000 1.140 208 I CA -0.928 60.473 61.300 0.167 0.000 1.021 208 I CB 1.967 40.031 38.000 0.107 0.000 1.233 208 I HN -0.133 nan 8.210 nan 0.000 0.427 209 H N 3.707 122.923 119.070 0.243 0.000 2.355 209 H HA 0.116 4.681 4.556 0.015 0.000 0.303 209 H C -0.422 175.136 175.328 0.382 0.000 1.061 209 H CA 1.740 57.968 56.048 0.300 0.000 1.368 209 H CB 0.435 30.433 29.762 0.393 0.000 1.412 209 H HN 0.840 nan 8.280 nan 0.000 0.523 210 H N -2.352 116.981 119.070 0.438 0.000 2.967 210 H HA 0.236 4.801 4.556 0.015 0.000 0.318 210 H C -1.528 174.108 175.328 0.514 0.000 1.375 210 H CA -0.804 55.472 56.048 0.381 0.000 1.132 210 H CB 0.410 30.402 29.762 0.383 0.000 1.848 210 H HN 0.083 nan 8.280 nan 0.000 0.524 211 F N 0.868 121.059 119.950 0.402 0.000 2.579 211 F HA 0.748 5.284 4.527 0.015 0.000 0.324 211 F C -0.650 175.305 175.800 0.259 0.000 1.058 211 F CA -1.333 56.865 58.000 0.329 0.000 0.944 211 F CB 2.064 41.302 39.000 0.397 0.000 1.245 211 F HN 0.501 nan 8.300 nan 0.000 0.477 212 M N 4.020 123.651 119.600 0.053 0.000 2.464 212 M HA 0.583 5.072 4.480 0.015 0.000 0.308 212 M C -2.329 173.933 176.300 -0.062 0.000 1.127 212 M CA -0.702 54.468 55.300 -0.216 0.000 0.913 212 M CB 2.165 34.327 32.600 -0.730 0.000 1.689 212 M HN 0.874 nan 8.290 nan 0.000 0.445 213 L N 2.823 124.019 121.223 -0.046 0.000 2.365 213 L HA 0.547 4.896 4.340 0.015 0.000 0.273 213 L C -0.434 176.385 176.870 -0.085 0.000 1.000 213 L CA -0.589 54.283 54.840 0.054 0.000 0.819 213 L CB 2.286 44.477 42.059 0.220 0.000 1.284 213 L HN 0.714 nan 8.230 nan 0.000 0.418 214 E N 2.402 122.598 120.200 -0.007 0.000 2.179 214 E HA 0.581 4.940 4.350 0.015 0.000 0.275 214 E C -1.103 175.444 176.600 -0.088 0.000 0.945 214 E CA -0.719 55.640 56.400 -0.068 0.000 0.792 214 E CB 2.089 31.784 29.700 -0.007 0.000 1.125 214 E HN 0.407 nan 8.360 nan 0.000 0.397 215 V N 0.768 120.562 119.914 -0.200 0.000 3.096 215 V HA 0.676 4.806 4.120 0.015 0.000 0.319 215 V C 0.817 176.932 176.094 0.035 0.000 1.103 215 V CA -0.009 62.137 62.300 -0.257 0.000 1.016 215 V CB 1.234 32.785 31.823 -0.454 0.000 1.090 215 V HN 0.814 nan 8.190 nan 0.000 0.449 216 A N 1.069 123.901 122.820 0.020 0.000 2.067 216 A HA 0.361 4.690 4.320 0.015 0.000 0.217 216 A C 1.224 178.961 177.584 0.255 0.000 1.156 216 A CA 1.061 53.194 52.037 0.160 0.000 0.683 216 A CB -0.582 18.470 19.000 0.086 0.000 0.808 216 A HN 1.546 nan 8.150 nan 0.000 0.455 217 S N -2.464 113.233 115.700 -0.005 0.000 2.627 217 S HA 0.499 4.978 4.470 0.015 0.000 0.283 217 S C 0.346 174.354 174.600 -0.986 0.000 1.127 217 S CA -0.200 57.745 58.200 -0.424 0.000 0.863 217 S CB 0.964 64.043 63.200 -0.202 0.000 1.121 217 S HN 0.432 nan 8.310 nan 0.000 0.479 218 L N 1.013 121.288 121.223 -1.580 0.000 2.083 218 L HA 0.062 4.411 4.340 0.015 0.000 0.209 218 L C 1.645 178.210 176.870 -0.509 0.000 1.083 218 L CA 2.125 56.217 54.840 -1.247 0.000 0.752 218 L CB -1.067 40.236 42.059 -1.259 0.000 0.899 218 L HN 0.811 nan 8.230 nan 0.000 0.433 219 D N -0.113 120.056 120.400 -0.386 0.000 2.144 219 D HA -0.181 4.469 4.640 0.015 0.000 0.199 219 D C 1.721 178.025 176.300 0.007 0.000 0.984 219 D CA 1.310 55.171 54.000 -0.232 0.000 0.834 219 D CB -0.167 40.587 40.800 -0.076 0.000 0.955 219 D HN 0.438 nan 8.370 nan 0.000 0.465 220 D N 0.173 120.593 120.400 0.033 0.000 2.123 220 D HA -0.113 4.536 4.640 0.015 0.000 0.196 220 D C 2.297 178.785 176.300 0.312 0.000 0.992 220 D CA 0.545 54.649 54.000 0.172 0.000 0.833 220 D CB -0.204 40.618 40.800 0.037 0.000 0.954 220 D HN 0.113 nan 8.370 nan 0.000 0.455 221 V N 0.935 120.989 119.914 0.235 0.000 2.307 221 V HA -0.121 4.008 4.120 0.015 0.000 0.245 221 V C 2.599 178.883 176.094 0.316 0.000 1.045 221 V CA 1.958 64.530 62.300 0.454 0.000 1.024 221 V CB -1.061 30.977 31.823 0.360 0.000 0.651 221 V HN 0.223 nan 8.190 nan 0.000 0.449 222 G N -0.499 108.322 108.800 0.035 0.000 2.446 222 G HA2 -0.253 3.717 3.960 0.015 0.000 0.217 222 G HA3 -0.253 3.717 3.960 0.015 0.000 0.217 222 G C 1.461 176.298 174.900 -0.105 0.000 1.168 222 G CA 0.951 45.966 45.100 -0.141 0.000 0.771 222 G HN 0.427 nan 8.290 nan 0.000 0.551 223 F N 1.697 121.660 119.950 0.021 0.000 2.146 223 F HA 0.117 4.653 4.527 0.014 0.000 0.298 223 F C 3.028 178.823 175.800 -0.008 0.000 1.096 223 F CA 0.699 58.701 58.000 0.003 0.000 1.275 223 F CB -0.638 38.362 39.000 0.000 0.000 1.008 223 F HN 0.243 nan 8.300 nan 0.000 0.480 224 A N -0.443 122.500 122.820 0.205 0.000 1.933 224 A HA -0.226 4.103 4.320 0.015 0.000 0.218 224 A C 2.128 179.641 177.584 -0.119 0.000 1.175 224 A CA 1.366 53.408 52.037 0.007 0.000 0.628 224 A CB -1.420 17.460 19.000 -0.199 0.000 0.814 224 A HN 0.367 nan 8.150 nan 0.000 0.444 225 F N 1.314 121.009 119.950 -0.424 0.000 2.095 225 F HA -0.223 4.313 4.527 0.016 0.000 0.298 225 F C 1.733 177.263 175.800 -0.450 0.000 1.104 225 F CA 2.279 59.713 58.000 -0.943 0.000 1.232 225 F CB -0.262 38.232 39.000 -0.844 0.000 0.987 225 F HN 0.247 nan 8.300 nan 0.000 0.475 226 D N -0.236 120.205 120.400 0.067 0.000 2.144 226 D HA -0.117 4.533 4.640 0.015 0.000 0.200 226 D C 2.417 178.694 176.300 -0.037 0.000 0.978 226 D CA 1.077 55.111 54.000 0.056 0.000 0.833 226 D CB -0.262 40.594 40.800 0.093 0.000 0.961 226 D HN 0.320 nan 8.370 nan 0.000 0.470 227 R N 0.096 120.568 120.500 -0.047 0.000 2.092 227 R HA -0.041 4.308 4.340 0.015 0.000 0.231 227 R C 2.231 178.467 176.300 -0.107 0.000 1.119 227 R CA 0.671 56.733 56.100 -0.063 0.000 0.970 227 R CB -0.259 30.002 30.300 -0.064 0.000 0.864 227 R HN 0.128 nan 8.270 nan 0.000 0.440 228 V N 1.007 120.814 119.914 -0.179 0.000 2.488 228 V HA -0.178 3.951 4.120 0.015 0.000 0.246 228 V C 1.753 177.726 176.094 -0.202 0.000 1.046 228 V CA 1.838 64.038 62.300 -0.167 0.000 1.053 228 V CB -0.399 31.315 31.823 -0.181 0.000 0.679 228 V HN 0.231 nan 8.190 nan 0.000 0.458 229 D N 0.553 120.767 120.400 -0.309 0.000 2.178 229 D HA -0.110 4.539 4.640 0.015 0.000 0.202 229 D C 2.107 178.339 176.300 -0.114 0.000 0.974 229 D CA 1.265 55.111 54.000 -0.257 0.000 0.841 229 D CB -0.065 40.585 40.800 -0.250 0.000 0.953 229 D HN 0.359 nan 8.370 nan 0.000 0.478 230 A N 0.121 122.893 122.820 -0.081 0.000 2.024 230 A HA -0.152 4.177 4.320 0.015 0.000 0.220 230 A C 1.475 179.035 177.584 -0.041 0.000 1.164 230 A CA 1.679 53.690 52.037 -0.044 0.000 0.643 230 A CB -0.231 18.751 19.000 -0.030 0.000 0.806 230 A HN 0.141 nan 8.150 nan 0.000 0.451 231 D N -1.532 118.839 120.400 -0.049 0.000 2.363 231 D HA 0.335 4.984 4.640 0.015 0.000 0.214 231 D C 1.147 177.418 176.300 -0.048 0.000 1.093 231 D CA 0.861 54.839 54.000 -0.037 0.000 0.837 231 D CB 0.003 40.790 40.800 -0.021 0.000 0.948 231 D HN 0.502 nan 8.370 nan 0.000 0.507 232 G N 1.098 109.861 108.800 -0.063 0.000 2.249 232 G HA2 -0.297 3.672 3.960 0.015 0.000 0.273 232 G HA3 -0.297 3.672 3.960 0.015 0.000 0.273 232 G C 0.766 175.622 174.900 -0.073 0.000 1.036 232 G CA 0.235 45.296 45.100 -0.065 0.000 0.824 232 G HN 0.441 nan 8.290 nan 0.000 0.504 233 L N -0.258 120.914 121.223 -0.085 0.000 2.607 233 L HA 0.316 4.665 4.340 0.015 0.000 0.228 233 L C 1.184 178.010 176.870 -0.073 0.000 1.123 233 L CA -0.560 54.236 54.840 -0.073 0.000 0.890 233 L CB 0.009 42.047 42.059 -0.036 0.000 1.103 233 L HN 0.193 nan 8.230 nan 0.000 0.468 234 I N 1.133 121.620 120.570 -0.139 0.000 2.648 234 I HA -0.048 4.131 4.170 0.015 0.000 0.284 234 I C 1.546 177.646 176.117 -0.028 0.000 1.153 234 I CA 0.733 61.943 61.300 -0.150 0.000 1.426 234 I CB 1.231 39.000 38.000 -0.385 0.000 1.381 234 I HN 0.207 nan 8.210 nan 0.000 0.571 235 T N 0.568 115.158 114.554 0.059 0.000 2.971 235 T HA 0.139 4.498 4.350 0.015 0.000 0.252 235 T C 0.628 175.388 174.700 0.102 0.000 1.022 235 T CA -0.200 61.934 62.100 0.057 0.000 0.980 235 T CB 0.400 69.288 68.868 0.034 0.000 1.044 235 T HN 0.475 nan 8.240 nan 0.000 0.501 236 S N 1.587 117.417 115.700 0.216 0.000 2.543 236 S HA 0.561 5.040 4.470 0.015 0.000 0.271 236 S C -0.224 174.646 174.600 0.449 0.000 1.148 236 S CA -0.521 57.852 58.200 0.288 0.000 0.914 236 S CB 1.608 64.987 63.200 0.299 0.000 1.096 236 S HN 0.624 nan 8.310 nan 0.000 0.471 237 T N 2.234 117.029 114.554 0.401 0.000 2.766 237 T HA 0.477 4.837 4.350 0.015 0.000 0.295 237 T C 0.596 175.564 174.700 0.446 0.000 1.024 237 T CA -0.646 61.723 62.100 0.448 0.000 1.018 237 T CB -0.071 68.944 68.868 0.245 0.000 1.002 237 T HN 0.581 nan 8.240 nan 0.000 0.532 238 L N 1.483 122.862 121.223 0.261 0.000 2.490 238 L HA 0.506 4.855 4.340 0.015 0.000 0.274 238 L C 1.089 177.963 176.870 0.007 0.000 1.201 238 L CA 0.340 55.293 54.840 0.188 0.000 0.869 238 L CB -0.177 41.912 42.059 0.050 0.000 1.123 238 L HN 1.084 nan 8.230 nan 0.000 0.484 239 G N 2.810 111.311 108.800 -0.499 0.000 2.608 239 G HA2 0.515 4.484 3.960 0.015 0.000 0.291 239 G HA3 0.515 4.484 3.960 0.015 0.000 0.291 239 G C -1.956 171.942 174.900 -1.671 0.000 1.425 239 G CA -0.734 43.572 45.100 -1.324 0.000 0.787 239 G HN 0.488 nan 8.290 nan 0.000 0.484 240 R N 0.141 119.547 120.500 -1.824 0.000 2.534 240 R HA 0.406 4.755 4.340 0.015 0.000 0.301 240 R C -0.845 175.071 176.300 -0.641 0.000 0.961 240 R CA -0.735 54.695 56.100 -1.117 0.000 0.871 240 R CB 0.954 30.578 30.300 -1.127 0.000 1.170 240 R HN 0.657 nan 8.270 nan 0.000 0.446 241 H N 1.648 120.635 119.070 -0.138 0.000 2.707 241 H HA 0.015 4.579 4.556 0.015 0.000 0.359 241 H C 1.083 176.360 175.328 -0.085 0.000 1.113 241 H CA 0.740 56.753 56.048 -0.057 0.000 1.422 241 H CB 1.780 31.520 29.762 -0.037 0.000 1.443 241 H HN 0.733 nan 8.280 nan 0.000 0.591 242 T N -0.455 114.103 114.554 0.007 0.000 2.904 242 T HA -0.171 4.188 4.350 0.015 0.000 0.267 242 T C 1.423 176.077 174.700 -0.077 0.000 1.059 242 T CA 1.122 63.202 62.100 -0.033 0.000 1.137 242 T CB 0.137 68.919 68.868 -0.142 0.000 0.879 242 T HN 0.599 nan 8.240 nan 0.000 0.467 243 N N 2.621 121.067 118.700 -0.423 0.000 2.333 243 N HA -0.066 4.683 4.740 0.015 0.000 0.183 243 N C 1.353 176.456 175.510 -0.679 0.000 1.030 243 N CA 1.525 54.277 53.050 -0.496 0.000 0.867 243 N CB -0.727 37.347 38.487 -0.689 0.000 1.027 243 N HN 0.576 nan 8.380 nan 0.000 0.435 244 D N -1.064 118.871 120.400 -0.776 0.000 2.349 244 D HA -0.049 4.600 4.640 0.015 0.000 0.214 244 D C -0.319 175.840 176.300 -0.236 0.000 1.063 244 D CA -0.237 53.334 54.000 -0.715 0.000 0.847 244 D CB -1.092 39.373 40.800 -0.557 0.000 0.933 244 D HN 0.581 nan 8.370 nan 0.000 0.513 245 H N -1.411 117.576 119.070 -0.137 0.000 2.861 245 H HA -0.209 4.356 4.556 0.014 0.000 0.289 245 H C -0.059 175.206 175.328 -0.105 0.000 1.176 245 H CA 0.255 56.245 56.048 -0.097 0.000 1.146 245 H CB -1.742 27.977 29.762 -0.071 0.000 1.330 245 H HN 0.257 nan 8.280 nan 0.000 0.379 246 M N 1.255 120.899 119.600 0.073 0.000 2.217 246 M HA 0.293 4.782 4.480 0.015 0.000 0.354 246 M C -0.387 175.906 176.300 -0.011 0.000 1.225 246 M CA -0.147 55.180 55.300 0.044 0.000 1.137 246 M CB 0.803 33.498 32.600 0.158 0.000 1.576 246 M HN 0.061 nan 8.290 nan 0.000 0.461 247 V N 5.593 125.512 119.914 0.008 0.000 2.383 247 V HA 0.712 4.841 4.120 0.015 0.000 0.275 247 V C -0.220 175.948 176.094 0.123 0.000 1.036 247 V CA 0.041 62.350 62.300 0.014 0.000 0.889 247 V CB 0.453 32.447 31.823 0.285 0.000 0.985 247 V HN 1.049 nan 8.190 nan 0.000 0.459 248 S N 5.129 120.884 115.700 0.092 0.000 2.672 248 S HA 0.887 5.366 4.470 0.015 0.000 0.271 248 S C -1.043 173.759 174.600 0.337 0.000 1.171 248 S CA -0.826 57.471 58.200 0.161 0.000 0.817 248 S CB 2.225 65.416 63.200 -0.014 0.000 1.150 248 S HN 0.845 nan 8.310 nan 0.000 0.478 249 F N -1.373 118.672 119.950 0.158 0.000 2.643 249 F HA 0.906 5.441 4.527 0.015 0.000 0.314 249 F C -1.975 173.820 175.800 -0.008 0.000 1.096 249 F CA -1.437 56.720 58.000 0.263 0.000 0.953 249 F CB 0.645 39.925 39.000 0.466 0.000 1.345 249 F HN 0.628 nan 8.300 nan 0.000 0.468 250 Y N 0.943 121.387 120.300 0.241 0.000 2.524 250 Y HA 0.856 5.415 4.550 0.016 0.000 0.344 250 Y C 0.009 175.998 175.900 0.147 0.000 1.012 250 Y CA -0.868 57.241 58.100 0.016 0.000 1.068 250 Y CB 2.132 40.565 38.460 -0.046 0.000 1.249 250 Y HN 1.045 nan 8.280 nan 0.000 0.468 251 A N 0.448 123.380 122.820 0.187 0.000 2.594 251 A HA 0.765 5.095 4.320 0.015 0.000 0.291 251 A C -1.293 176.300 177.584 0.016 0.000 1.105 251 A CA -0.899 51.221 52.037 0.139 0.000 0.694 251 A CB 1.122 20.268 19.000 0.243 0.000 1.291 251 A HN 0.536 nan 8.150 nan 0.000 0.410 252 S N 1.195 116.852 115.700 -0.071 0.000 2.499 252 S HA 0.561 5.040 4.470 0.015 0.000 0.279 252 S C 0.668 174.960 174.600 -0.513 0.000 1.219 252 S CA 0.110 58.185 58.200 -0.208 0.000 1.062 252 S CB 0.887 63.981 63.200 -0.178 0.000 0.978 252 S HN 1.074 nan 8.310 nan 0.000 0.489 253 T N 0.800 114.977 114.554 -0.630 0.000 2.824 253 T HA 0.353 4.712 4.350 0.015 0.000 0.277 253 T C -2.200 171.976 174.700 -0.873 0.000 0.975 253 T CA -1.840 59.516 62.100 -1.241 0.000 0.966 253 T CB 0.237 68.482 68.868 -1.039 0.000 1.054 253 T HN 0.161 nan 8.240 nan 0.000 0.533 254 P HA 0.077 nan 4.420 nan 0.000 0.225 254 P C 1.077 178.325 177.300 -0.087 0.000 1.148 254 P CA 0.585 63.416 63.100 -0.448 0.000 0.779 254 P CB 0.039 31.497 31.700 -0.404 0.000 0.780 255 S N -2.122 113.620 115.700 0.070 0.000 2.575 255 S HA 0.296 4.776 4.470 0.015 0.000 0.215 255 S C 1.700 176.337 174.600 0.061 0.000 0.966 255 S CA 0.622 58.936 58.200 0.191 0.000 0.911 255 S CB -0.278 63.154 63.200 0.387 0.000 0.780 255 S HN 0.315 nan 8.310 nan 0.000 0.514 256 G N 1.053 109.829 108.800 -0.041 0.000 2.383 256 G HA2 -0.287 3.682 3.960 0.015 0.000 0.229 256 G HA3 -0.287 3.682 3.960 0.015 0.000 0.229 256 G C 0.296 175.168 174.900 -0.046 0.000 1.089 256 G CA 0.001 45.071 45.100 -0.051 0.000 0.640 256 G HN 0.410 nan 8.290 nan 0.000 0.510 257 V N 2.311 122.243 119.914 0.029 0.000 2.901 257 V HA 0.293 4.423 4.120 0.015 0.000 0.307 257 V C 0.972 177.073 176.094 0.011 0.000 1.084 257 V CA 0.801 63.144 62.300 0.070 0.000 1.184 257 V CB 1.169 33.130 31.823 0.230 0.000 0.941 257 V HN 0.544 nan 8.190 nan 0.000 0.493 258 E N 1.743 121.940 120.200 -0.005 0.000 2.280 258 E HA 0.639 4.999 4.350 0.015 0.000 0.261 258 E C -0.945 175.654 176.600 -0.002 0.000 1.088 258 E CA -0.603 55.785 56.400 -0.020 0.000 0.915 258 E CB 2.146 31.820 29.700 -0.042 0.000 1.141 258 E HN 0.429 nan 8.360 nan 0.000 0.433 259 V N 0.778 120.611 119.914 -0.136 0.000 2.709 259 V HA 0.281 4.410 4.120 0.015 0.000 0.308 259 V C -1.335 174.555 176.094 -0.339 0.000 1.062 259 V CA -0.444 61.573 62.300 -0.471 0.000 0.901 259 V CB 1.885 33.344 31.823 -0.606 0.000 1.003 259 V HN 0.723 nan 8.190 nan 0.000 0.425 260 E N 4.662 124.619 120.200 -0.406 0.000 2.179 260 E HA 0.425 4.784 4.350 0.015 0.000 0.275 260 E C -2.145 174.198 176.600 -0.428 0.000 0.945 260 E CA -0.688 55.336 56.400 -0.626 0.000 0.792 260 E CB 1.758 31.058 29.700 -0.666 0.000 1.125 260 E HN 0.727 nan 8.360 nan 0.000 0.397 261 Y N 2.896 122.746 120.300 -0.749 0.000 2.332 261 Y HA 0.573 5.133 4.550 0.016 0.000 0.326 261 Y C -0.270 175.433 175.900 -0.329 0.000 0.978 261 Y CA -0.252 57.529 58.100 -0.531 0.000 1.205 261 Y CB 1.585 39.574 38.460 -0.786 0.000 1.131 261 Y HN 0.627 nan 8.280 nan 0.000 0.462 262 G N 3.038 111.725 108.800 -0.188 0.000 2.798 262 G HA2 0.505 4.474 3.960 0.015 0.000 0.286 262 G HA3 0.505 4.474 3.960 0.015 0.000 0.286 262 G C -2.513 172.446 174.900 0.098 0.000 1.389 262 G CA -0.873 44.229 45.100 0.003 0.000 0.894 262 G HN 0.638 nan 8.290 nan 0.000 0.488 263 W N -0.663 120.614 121.300 -0.037 0.000 3.217 263 W HA 0.504 5.171 4.660 0.011 0.000 0.323 263 W C 0.477 177.003 176.519 0.012 0.000 1.216 263 W CA 0.115 57.446 57.345 -0.023 0.000 1.194 263 W CB 1.746 31.202 29.460 -0.006 0.000 1.397 263 W HN 1.379 nan 8.180 nan 0.000 0.537 264 S N 1.913 117.037 115.700 -0.960 0.000 3.593 264 S HA -0.125 4.354 4.470 0.015 0.000 0.301 264 S C -0.074 174.260 174.600 -0.442 0.000 1.209 264 S CA 0.881 58.458 58.200 -1.040 0.000 0.878 264 S CB -1.796 60.264 63.200 -1.900 0.000 1.000 264 S HN 1.536 nan 8.310 nan 0.000 0.578 265 A N 1.204 123.881 122.820 -0.237 0.000 2.386 265 A HA 0.561 4.890 4.320 0.015 0.000 0.248 265 A C 0.567 178.088 177.584 -0.104 0.000 1.082 265 A CA 0.202 52.169 52.037 -0.117 0.000 0.789 265 A CB 0.218 19.183 19.000 -0.058 0.000 1.025 265 A HN 0.830 nan 8.150 nan 0.000 0.490 266 R N 0.456 120.909 120.500 -0.077 0.000 2.543 266 R HA 0.594 4.943 4.340 0.015 0.000 0.268 266 R C -0.002 176.262 176.300 -0.060 0.000 1.067 266 R CA 0.088 56.156 56.100 -0.054 0.000 1.142 266 R CB 0.342 30.620 30.300 -0.036 0.000 1.110 266 R HN 0.684 nan 8.270 nan 0.000 0.549 267 T N -1.817 112.708 114.554 -0.049 0.000 2.937 267 T HA 0.594 4.953 4.350 0.015 0.000 0.283 267 T C 0.295 174.912 174.700 -0.139 0.000 1.012 267 T CA -0.608 61.438 62.100 -0.090 0.000 0.997 267 T CB 1.553 70.379 68.868 -0.069 0.000 1.136 267 T HN 0.659 nan 8.240 nan 0.000 0.551 268 V N -1.338 118.412 119.914 -0.273 0.000 3.074 268 V HA 0.893 5.022 4.120 0.015 0.000 0.314 268 V C -1.121 174.838 176.094 -0.226 0.000 1.117 268 V CA -0.892 61.186 62.300 -0.370 0.000 1.014 268 V CB 1.750 32.953 31.823 -1.032 0.000 1.057 268 V HN 1.288 nan 8.190 nan 0.000 0.438 269 D N 1.348 121.693 120.400 -0.092 0.000 2.895 269 D HA 0.323 4.972 4.640 0.015 0.000 0.320 269 D C 0.361 176.687 176.300 0.043 0.000 1.249 269 D CA -0.864 53.117 54.000 -0.030 0.000 0.997 269 D CB 1.666 42.477 40.800 0.017 0.000 1.430 269 D HN 0.401 nan 8.370 nan 0.000 0.558 270 R N -0.291 120.241 120.500 0.054 0.000 2.316 270 R HA 0.030 4.379 4.340 0.015 0.000 0.202 270 R C 1.646 178.005 176.300 0.098 0.000 1.029 270 R CA 1.109 57.256 56.100 0.078 0.000 1.018 270 R CB -0.138 30.191 30.300 0.049 0.000 0.888 270 R HN 0.480 nan 8.270 nan 0.000 0.471 271 S N -0.867 114.899 115.700 0.109 0.000 2.556 271 S HA 0.009 4.488 4.470 0.015 0.000 0.216 271 S C 0.320 174.993 174.600 0.121 0.000 0.970 271 S CA -0.820 57.434 58.200 0.090 0.000 0.912 271 S CB -0.010 63.228 63.200 0.063 0.000 0.790 271 S HN 0.339 nan 8.310 nan 0.000 0.504 272 W N 3.692 124.980 121.300 -0.021 0.000 2.181 272 W HA 0.412 5.080 4.660 0.013 0.000 0.335 272 W C -0.591 175.931 176.519 0.005 0.000 1.310 272 W CA -0.193 57.138 57.345 -0.022 0.000 1.226 272 W CB 1.059 30.477 29.460 -0.069 0.000 1.155 272 W HN 0.123 nan 8.180 nan 0.000 0.565 273 V N 4.766 124.312 119.914 -0.613 0.000 2.680 273 V HA 0.491 4.620 4.120 0.015 0.000 0.309 273 V C -0.394 175.398 176.094 -0.504 0.000 1.052 273 V CA -1.155 60.923 62.300 -0.370 0.000 0.908 273 V CB 0.857 32.521 31.823 -0.266 0.000 1.001 273 V HN 0.295 nan 8.190 nan 0.000 0.431 274 V N 5.190 125.053 119.914 -0.084 0.000 2.655 274 V HA 0.449 4.578 4.120 0.015 0.000 0.300 274 V C 0.606 176.674 176.094 -0.043 0.000 1.044 274 V CA 0.874 63.215 62.300 0.067 0.000 1.095 274 V CB 0.930 32.840 31.823 0.145 0.000 0.952 274 V HN 1.189 nan 8.190 nan 0.000 0.485 275 V N 3.249 123.164 119.914 0.001 0.000 3.156 275 V HA 0.868 4.997 4.120 0.015 0.000 0.310 275 V C -0.696 175.379 176.094 -0.032 0.000 1.234 275 V CA -1.289 60.960 62.300 -0.084 0.000 1.065 275 V CB 2.328 34.024 31.823 -0.213 0.000 1.088 275 V HN 0.966 nan 8.190 nan 0.000 0.451 276 R N -0.279 120.135 120.500 -0.144 0.000 2.837 276 R HA 0.749 5.098 4.340 0.015 0.000 0.271 276 R C -1.229 174.910 176.300 -0.269 0.000 0.993 276 R CA -0.804 55.248 56.100 -0.078 0.000 0.931 276 R CB 1.950 32.242 30.300 -0.014 0.000 1.206 276 R HN 0.943 nan 8.270 nan 0.000 0.474 277 H N -0.061 119.024 119.070 0.025 0.000 2.928 277 H HA 0.250 4.815 4.556 0.015 0.000 0.371 277 H C -0.723 174.619 175.328 0.023 0.000 1.186 277 H CA -0.812 55.249 56.048 0.021 0.000 1.134 277 H CB 2.631 32.399 29.762 0.010 0.000 1.824 277 H HN 0.718 nan 8.280 nan 0.000 0.554 278 D N 0.301 120.795 120.400 0.156 0.000 2.433 278 D HA 0.054 4.703 4.640 0.015 0.000 0.211 278 D C 0.060 176.416 176.300 0.093 0.000 1.114 278 D CA 0.493 54.552 54.000 0.098 0.000 0.837 278 D CB 1.151 41.990 40.800 0.065 0.000 0.984 278 D HN 0.233 nan 8.370 nan 0.000 0.505 279 S N 0.618 116.385 115.700 0.112 0.000 2.546 279 S HA 0.389 4.868 4.470 0.015 0.000 0.274 279 S C -2.370 172.261 174.600 0.052 0.000 1.121 279 S CA -1.231 57.017 58.200 0.080 0.000 0.887 279 S CB 2.424 65.671 63.200 0.079 0.000 1.094 279 S HN -0.236 nan 8.310 nan 0.000 0.474 280 P HA 0.255 nan 4.420 nan 0.000 0.252 280 P C -0.349 177.046 177.300 0.158 0.000 1.218 280 P CA -0.064 63.065 63.100 0.049 0.000 0.807 280 P CB 0.325 32.079 31.700 0.091 0.000 1.072 281 S N -0.339 115.432 115.700 0.119 0.000 2.557 281 S HA 0.392 4.871 4.470 0.015 0.000 0.291 281 S C 0.887 175.483 174.600 -0.007 0.000 1.116 281 S CA -0.524 57.723 58.200 0.079 0.000 0.992 281 S CB 1.687 64.981 63.200 0.156 0.000 1.028 281 S HN -0.143 nan 8.310 nan 0.000 0.484 282 M N 1.931 121.462 119.600 -0.115 0.000 2.099 282 M HA 0.087 4.576 4.480 0.015 0.000 0.262 282 M C 0.152 176.502 176.300 0.082 0.000 1.067 282 M CA 1.500 56.776 55.300 -0.040 0.000 1.124 282 M CB 0.153 32.691 32.600 -0.103 0.000 1.353 282 M HN 0.738 nan 8.290 nan 0.000 0.410 283 W N -1.571 119.693 121.300 -0.060 0.000 3.137 283 W HA 0.537 5.204 4.660 0.013 0.000 0.324 283 W C -0.052 176.390 176.519 -0.128 0.000 1.253 283 W CA -0.655 56.648 57.345 -0.070 0.000 1.183 283 W CB -0.197 29.220 29.460 -0.072 0.000 1.424 283 W HN 0.431 nan 8.180 nan 0.000 0.566 284 G N 0.909 109.887 108.800 0.297 0.000 2.601 284 G HA2 -0.329 3.640 3.960 0.015 0.000 0.252 284 G HA3 -0.329 3.640 3.960 0.015 0.000 0.252 284 G C -0.091 174.850 174.900 0.067 0.000 1.294 284 G CA 0.950 46.145 45.100 0.158 0.000 0.912 284 G HN 1.596 nan 8.290 nan 0.000 0.574 285 H N -0.751 118.370 119.070 0.086 0.000 2.826 285 H HA -0.140 4.425 4.556 0.015 0.000 0.306 285 H C 0.899 176.273 175.328 0.077 0.000 1.235 285 H CA 0.978 57.078 56.048 0.087 0.000 1.150 285 H CB -0.663 29.108 29.762 0.015 0.000 1.409 285 H HN 0.649 nan 8.280 nan 0.000 0.420 286 K N 1.673 122.195 120.400 0.203 0.000 2.322 286 K HA 0.247 4.576 4.320 0.015 0.000 0.283 286 K C 0.291 176.962 176.600 0.118 0.000 1.042 286 K CA -0.070 56.297 56.287 0.133 0.000 0.958 286 K CB 1.016 33.584 32.500 0.113 0.000 0.984 286 K HN 0.162 nan 8.250 nan 0.000 0.473 287 S N 3.379 119.120 115.700 0.068 0.000 2.533 287 S HA 0.236 4.715 4.470 0.015 0.000 0.282 287 S C -0.156 174.473 174.600 0.049 0.000 1.304 287 S CA -0.629 57.596 58.200 0.041 0.000 1.063 287 S CB 0.035 63.237 63.200 0.005 0.000 0.881 287 S HN 0.431 nan 8.310 nan 0.000 0.493 288 V N 0.000 119.944 119.914 0.051 0.000 2.409 288 V HA 0.000 4.129 4.120 0.015 0.000 0.244 288 V CA 0.000 62.326 62.300 0.043 0.000 1.235 288 V CB 0.000 31.864 31.823 0.068 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556