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 3hhg_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKTNSEELTV FVQVVESGSF SRAAEQLAMA NSAVSRIVKR LEEKLGVNLL DATA SEQUENCE NRTTRQLSLT EEGAQYFRRA QRILQEMAAA ETEMLAVHEI PQGVLSVDSA DATA SEQUENCE MPMVLHLLAP LAAKFNERYP HIRLSLVSSE GYINLIERKV DIALRAGELD DATA SEQUENCE DSGLRARHLF DSRFRVIASP EYLAKHGTPQ STEELAGHQC LGFTEPGSLN DATA SEQUENCE TWAVLDAQGN PYKISPHFTA SSGEILRSLC LSGCGIVCLS DFLVDNDIAE DATA SEQUENCE GKLIPLLAEQ TSDKTHPFNA VYYSDKAVNL RLRVFLDFLV EELG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.310 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 0.205 120.616 120.400 0.019 0.000 2.436 2 K HA 0.180 4.500 4.320 -0.000 0.000 0.198 2 K C 0.255 176.866 176.600 0.019 0.000 1.174 2 K CA 0.606 56.901 56.287 0.013 0.000 0.951 2 K CB 0.910 33.411 32.500 0.003 0.000 1.040 2 K HN 0.794 nan 8.250 nan 0.000 0.536 3 T N 0.139 114.713 114.554 0.034 0.000 2.851 3 T HA 0.230 4.580 4.350 -0.000 0.000 0.298 3 T C -0.185 174.548 174.700 0.055 0.000 0.977 3 T CA -0.620 61.510 62.100 0.050 0.000 1.126 3 T CB 0.916 69.847 68.868 0.104 0.000 0.916 3 T HN -0.126 nan 8.240 nan 0.000 0.529 4 N N 1.022 119.753 118.700 0.052 0.000 2.361 4 N HA 0.351 5.091 4.740 -0.000 0.000 0.302 4 N C 1.341 176.888 175.510 0.062 0.000 1.074 4 N CA -0.166 52.913 53.050 0.048 0.000 0.850 4 N CB 1.839 40.349 38.487 0.037 0.000 1.228 4 N HN 0.734 nan 8.380 nan 0.000 0.491 5 S N 1.407 117.139 115.700 0.054 0.000 2.402 5 S HA -0.252 4.218 4.470 -0.000 0.000 0.233 5 S C 1.448 176.089 174.600 0.067 0.000 1.030 5 S CA 1.262 59.497 58.200 0.058 0.000 1.003 5 S CB -0.361 62.864 63.200 0.042 0.000 0.813 5 S HN 0.769 nan 8.310 nan 0.000 0.477 6 E N 2.141 122.376 120.200 0.059 0.000 2.049 6 E HA -0.290 4.060 4.350 -0.000 0.000 0.198 6 E C 2.266 178.914 176.600 0.080 0.000 1.007 6 E CA 1.884 58.321 56.400 0.060 0.000 0.809 6 E CB -0.270 29.459 29.700 0.048 0.000 0.749 6 E HN 0.971 nan 8.360 nan 0.000 0.450 7 E N 0.180 120.432 120.200 0.085 0.000 2.216 7 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 7 E C 2.471 179.174 176.600 0.173 0.000 0.988 7 E CA 0.286 56.751 56.400 0.108 0.000 0.834 7 E CB -0.345 29.398 29.700 0.072 0.000 0.772 7 E HN 0.305 nan 8.360 nan 0.000 0.479 8 L N 1.125 122.452 121.223 0.173 0.000 2.046 8 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 8 L C 2.777 179.782 176.870 0.225 0.000 1.077 8 L CA 1.704 56.687 54.840 0.239 0.000 0.747 8 L CB -0.354 41.802 42.059 0.162 0.000 0.896 8 L HN 0.262 nan 8.230 nan 0.000 0.432 9 T N -1.242 113.398 114.554 0.144 0.000 2.867 9 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 9 T C 1.826 176.600 174.700 0.124 0.000 1.057 9 T CA 0.929 63.096 62.100 0.112 0.000 1.136 9 T CB 0.056 68.969 68.868 0.076 0.000 0.874 9 T HN 0.069 nan 8.240 nan 0.000 0.466 10 V N 0.836 120.837 119.914 0.144 0.000 2.295 10 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 10 V C 1.939 178.152 176.094 0.198 0.000 1.049 10 V CA 1.996 64.383 62.300 0.145 0.000 1.024 10 V CB -0.717 31.189 31.823 0.139 0.000 0.648 10 V HN 0.602 nan 8.190 nan 0.000 0.447 11 F N 0.373 120.390 119.950 0.112 0.000 2.113 11 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 11 F C 2.243 178.160 175.800 0.195 0.000 1.103 11 F CA 1.645 59.734 58.000 0.148 0.000 1.248 11 F CB -0.053 39.066 39.000 0.199 0.000 0.999 11 F HN -0.052 nan 8.300 nan 0.000 0.475 12 V N 0.471 120.442 119.914 0.096 0.000 2.490 12 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 12 V C 2.203 178.324 176.094 0.046 0.000 1.061 12 V CA 2.043 64.405 62.300 0.104 0.000 1.064 12 V CB -0.811 31.061 31.823 0.081 0.000 0.670 12 V HN 0.388 nan 8.190 nan 0.000 0.461 13 Q N 0.404 120.214 119.800 0.016 0.000 1.965 13 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 13 Q C 2.161 178.115 176.000 -0.076 0.000 0.981 13 Q CA 2.354 58.151 55.803 -0.011 0.000 0.834 13 Q CB -0.712 28.037 28.738 0.017 0.000 0.900 13 Q HN 0.401 nan 8.270 nan 0.000 0.426 14 V N 0.041 119.912 119.914 -0.071 0.000 2.380 14 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 14 V C 2.295 178.262 176.094 -0.211 0.000 1.063 14 V CA 1.650 63.893 62.300 -0.095 0.000 1.055 14 V CB -0.795 31.025 31.823 -0.006 0.000 0.657 14 V HN 0.238 nan 8.190 nan 0.000 0.455 15 V N 1.142 120.841 119.914 -0.358 0.000 2.216 15 V HA -0.259 3.861 4.120 -0.000 0.000 0.243 15 V C 2.478 178.315 176.094 -0.429 0.000 1.044 15 V CA 2.390 64.373 62.300 -0.527 0.000 0.995 15 V CB -0.811 30.395 31.823 -1.029 0.000 0.633 15 V HN 0.835 nan 8.190 nan 0.000 0.446 16 E N 1.246 121.216 120.200 -0.383 0.000 2.427 16 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 16 E C 1.316 177.822 176.600 -0.156 0.000 1.028 16 E CA 0.964 57.206 56.400 -0.264 0.000 0.864 16 E CB -0.166 29.404 29.700 -0.218 0.000 0.813 16 E HN 0.630 nan 8.360 nan 0.000 0.514 17 S N -0.115 115.500 115.700 -0.141 0.000 2.489 17 S HA 0.525 4.995 4.470 -0.000 0.000 0.237 17 S C 0.877 175.406 174.600 -0.118 0.000 1.220 17 S CA -0.207 57.932 58.200 -0.101 0.000 1.231 17 S CB 0.303 63.461 63.200 -0.070 0.000 0.900 17 S HN 0.550 nan 8.310 nan 0.000 0.492 18 G N 1.799 110.513 108.800 -0.144 0.000 2.588 18 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.273 18 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.273 18 G C 0.007 174.768 174.900 -0.233 0.000 1.211 18 G CA -0.017 44.986 45.100 -0.161 0.000 0.958 18 G HN 0.885 nan 8.290 nan 0.000 0.543 19 S N 0.153 115.682 115.700 -0.285 0.000 2.751 19 S HA 0.628 5.098 4.470 -0.000 0.000 0.310 19 S C 1.177 175.556 174.600 -0.369 0.000 1.128 19 S CA 0.307 58.190 58.200 -0.529 0.000 0.931 19 S CB 1.131 63.798 63.200 -0.888 0.000 1.177 19 S HN 1.078 nan 8.310 nan 0.000 0.530 20 F N 0.876 120.819 119.950 -0.012 0.000 2.101 20 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 20 F C 2.070 177.868 175.800 -0.002 0.000 1.076 20 F CA 1.776 59.777 58.000 0.001 0.000 1.248 20 F CB -1.850 37.156 39.000 0.009 0.000 0.999 20 F HN 0.361 nan 8.300 nan 0.000 0.488 21 S N 0.300 116.201 115.700 0.336 0.000 2.348 21 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 21 S C 1.861 176.509 174.600 0.079 0.000 1.033 21 S CA 0.986 59.312 58.200 0.211 0.000 0.974 21 S CB -0.321 63.010 63.200 0.218 0.000 0.868 21 S HN 0.352 nan 8.310 nan 0.000 0.459 22 R N 1.349 121.861 120.500 0.020 0.000 2.237 22 R HA 0.119 4.459 4.340 -0.000 0.000 0.219 22 R C 2.310 178.602 176.300 -0.015 0.000 1.080 22 R CA 0.886 56.979 56.100 -0.013 0.000 0.995 22 R CB -0.366 29.906 30.300 -0.047 0.000 0.875 22 R HN 0.395 nan 8.270 nan 0.000 0.462 23 A N 1.282 124.098 122.820 -0.006 0.000 1.840 23 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 23 A C 2.377 179.972 177.584 0.017 0.000 1.198 23 A CA 1.391 53.427 52.037 -0.001 0.000 0.608 23 A CB -0.802 18.202 19.000 0.007 0.000 0.839 23 A HN 0.337 nan 8.150 nan 0.000 0.443 24 A N -0.099 122.744 122.820 0.038 0.000 1.940 24 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 24 A C 1.860 179.457 177.584 0.022 0.000 1.176 24 A CA 1.867 53.926 52.037 0.037 0.000 0.631 24 A CB -0.648 18.381 19.000 0.049 0.000 0.814 24 A HN 0.657 nan 8.150 nan 0.000 0.446 25 E N -0.443 119.767 120.200 0.017 0.000 2.097 25 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 25 E C 2.154 178.750 176.600 -0.006 0.000 1.000 25 E CA 1.579 57.982 56.400 0.004 0.000 0.804 25 E CB -0.192 29.508 29.700 -0.000 0.000 0.740 25 E HN 0.733 nan 8.360 nan 0.000 0.454 26 Q N -0.397 119.397 119.800 -0.010 0.000 2.435 26 Q HA -0.026 4.314 4.340 -0.000 0.000 0.207 26 Q C 1.008 177.002 176.000 -0.010 0.000 0.956 26 Q CA 0.338 56.130 55.803 -0.019 0.000 0.917 26 Q CB 0.353 29.075 28.738 -0.027 0.000 0.997 26 Q HN 0.127 nan 8.270 nan 0.000 0.497 27 L N -0.683 120.541 121.223 0.002 0.000 2.910 27 L HA 0.361 4.701 4.340 -0.000 0.000 0.252 27 L C 0.136 177.013 176.870 0.012 0.000 1.195 27 L CA 0.158 55.004 54.840 0.010 0.000 1.003 27 L CB 0.163 42.235 42.059 0.022 0.000 1.328 27 L HN 0.113 nan 8.230 nan 0.000 0.540 28 A N -0.348 122.476 122.820 0.007 0.000 2.822 28 A HA -0.279 4.041 4.320 -0.000 0.000 0.287 28 A C 0.381 177.973 177.584 0.012 0.000 1.479 28 A CA 1.711 53.753 52.037 0.008 0.000 0.779 28 A CB -2.105 16.899 19.000 0.007 0.000 1.022 28 A HN 0.503 nan 8.150 nan 0.000 0.532 29 M N -1.150 118.460 119.600 0.016 0.000 2.531 29 M HA 0.703 5.183 4.480 -0.000 0.000 0.286 29 M C 0.078 176.390 176.300 0.021 0.000 1.232 29 M CA 0.146 55.458 55.300 0.020 0.000 0.877 29 M CB 1.841 34.456 32.600 0.026 0.000 1.726 29 M HN 1.273 nan 8.290 nan 0.000 0.463 30 A N 1.999 124.831 122.820 0.019 0.000 2.332 30 A HA 0.347 4.667 4.320 -0.000 0.000 0.258 30 A C 0.287 177.887 177.584 0.026 0.000 1.087 30 A CA -0.465 51.583 52.037 0.019 0.000 0.802 30 A CB 0.151 19.158 19.000 0.012 0.000 1.042 30 A HN 0.977 nan 8.150 nan 0.000 0.489 31 N N 0.447 119.163 118.700 0.026 0.000 2.331 31 N HA -0.099 4.641 4.740 -0.000 0.000 0.180 31 N C 1.822 177.341 175.510 0.014 0.000 1.019 31 N CA 1.542 54.611 53.050 0.033 0.000 0.881 31 N CB -0.221 38.286 38.487 0.032 0.000 0.972 31 N HN 0.618 nan 8.380 nan 0.000 0.435 32 S N 0.145 115.847 115.700 0.003 0.000 2.402 32 S HA 0.068 4.538 4.470 -0.000 0.000 0.229 32 S C 1.835 176.439 174.600 0.005 0.000 1.021 32 S CA 1.022 59.219 58.200 -0.004 0.000 0.974 32 S CB -0.027 63.169 63.200 -0.007 0.000 0.800 32 S HN 0.407 nan 8.310 nan 0.000 0.484 33 A N 0.227 123.055 122.820 0.013 0.000 1.975 33 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 33 A C 2.220 179.821 177.584 0.029 0.000 1.170 33 A CA 1.001 53.048 52.037 0.018 0.000 0.656 33 A CB -0.583 18.428 19.000 0.018 0.000 0.821 33 A HN 0.404 nan 8.150 nan 0.000 0.449 34 V N -0.855 119.082 119.914 0.038 0.000 2.323 34 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 34 V C 2.731 178.863 176.094 0.063 0.000 1.041 34 V CA 2.225 64.559 62.300 0.056 0.000 1.025 34 V CB -0.311 31.553 31.823 0.068 0.000 0.656 34 V HN 0.582 nan 8.190 nan 0.000 0.451 35 S N -0.682 115.050 115.700 0.053 0.000 2.447 35 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 35 S C 2.160 176.777 174.600 0.029 0.000 1.006 35 S CA 1.369 59.599 58.200 0.049 0.000 0.957 35 S CB -0.384 62.827 63.200 0.018 0.000 0.773 35 S HN 0.520 nan 8.310 nan 0.000 0.507 36 R N 0.599 121.111 120.500 0.020 0.000 2.096 36 R HA -0.096 4.244 4.340 -0.000 0.000 0.240 36 R C 2.079 178.389 176.300 0.017 0.000 1.139 36 R CA 1.933 58.041 56.100 0.012 0.000 0.952 36 R CB -0.480 29.827 30.300 0.011 0.000 0.854 36 R HN 0.470 nan 8.270 nan 0.000 0.436 37 I N 0.274 120.862 120.570 0.030 0.000 2.113 37 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 37 I C 2.331 178.467 176.117 0.032 0.000 1.070 37 I CA 1.204 62.525 61.300 0.034 0.000 1.332 37 I CB -0.189 37.843 38.000 0.053 0.000 1.044 37 I HN 0.046 nan 8.210 nan 0.000 0.402 38 V N 0.701 120.649 119.914 0.057 0.000 2.490 38 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 38 V C 2.362 178.460 176.094 0.007 0.000 1.061 38 V CA 1.622 63.958 62.300 0.060 0.000 1.064 38 V CB -0.761 31.148 31.823 0.143 0.000 0.670 38 V HN 0.367 nan 8.190 nan 0.000 0.461 39 K N -0.078 120.329 120.400 0.011 0.000 2.097 39 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 39 K C 2.404 178.985 176.600 -0.031 0.000 1.050 39 K CA 1.222 57.503 56.287 -0.010 0.000 0.938 39 K CB -0.182 32.315 32.500 -0.005 0.000 0.718 39 K HN 0.329 nan 8.250 nan 0.000 0.442 40 R N 1.180 121.665 120.500 -0.025 0.000 2.115 40 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 40 R C 2.268 178.531 176.300 -0.060 0.000 1.100 40 R CA 0.668 56.748 56.100 -0.033 0.000 0.980 40 R CB -0.125 30.165 30.300 -0.017 0.000 0.875 40 R HN 0.151 nan 8.270 nan 0.000 0.445 41 L N 0.926 122.103 121.223 -0.077 0.000 2.083 41 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 41 L C 1.818 178.555 176.870 -0.221 0.000 1.083 41 L CA 1.604 56.358 54.840 -0.143 0.000 0.752 41 L CB -0.071 41.893 42.059 -0.160 0.000 0.899 41 L HN 0.277 nan 8.230 nan 0.000 0.433 42 E N -0.307 119.780 120.200 -0.188 0.000 2.047 42 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 42 E C 1.661 178.180 176.600 -0.134 0.000 0.987 42 E CA 1.323 57.611 56.400 -0.186 0.000 0.799 42 E CB -0.030 29.596 29.700 -0.123 0.000 0.752 42 E HN 0.546 nan 8.360 nan 0.000 0.449 43 E N 0.528 120.672 120.200 -0.092 0.000 2.512 43 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 43 E C 1.517 178.080 176.600 -0.062 0.000 1.083 43 E CA 0.333 56.694 56.400 -0.066 0.000 0.873 43 E CB 0.126 29.799 29.700 -0.046 0.000 0.897 43 E HN 0.234 nan 8.360 nan 0.000 0.514 44 K N -0.203 120.149 120.400 -0.079 0.000 2.365 44 K HA 0.104 4.424 4.320 -0.000 0.000 0.195 44 K C 1.673 178.226 176.600 -0.078 0.000 1.079 44 K CA -0.002 56.246 56.287 -0.065 0.000 0.979 44 K CB 0.136 32.604 32.500 -0.054 0.000 0.929 44 K HN 0.020 nan 8.250 nan 0.000 0.523 45 L N 1.210 122.359 121.223 -0.124 0.000 2.395 45 L HA 0.149 4.489 4.340 -0.000 0.000 0.218 45 L C 1.026 177.839 176.870 -0.095 0.000 1.130 45 L CA 0.910 55.669 54.840 -0.134 0.000 0.826 45 L CB -0.176 41.727 42.059 -0.259 0.000 0.941 45 L HN 0.664 nan 8.230 nan 0.000 0.451 46 G N 0.619 109.368 108.800 -0.085 0.000 2.160 46 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 46 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 46 G C 0.087 174.952 174.900 -0.059 0.000 1.008 46 G CA 0.296 45.361 45.100 -0.059 0.000 0.724 46 G HN 0.309 nan 8.290 nan 0.000 0.514 47 V N -3.907 115.956 119.914 -0.084 0.000 3.159 47 V HA 0.804 4.924 4.120 -0.000 0.000 0.308 47 V C -0.425 175.617 176.094 -0.086 0.000 1.190 47 V CA -1.700 60.556 62.300 -0.073 0.000 1.037 47 V CB 2.140 33.921 31.823 -0.069 0.000 1.060 47 V HN 0.183 nan 8.190 nan 0.000 0.437 48 N N 1.170 119.839 118.700 -0.051 0.000 2.485 48 N HA 0.503 5.243 4.740 -0.000 0.000 0.243 48 N C 0.401 175.900 175.510 -0.019 0.000 0.987 48 N CA -0.369 52.660 53.050 -0.035 0.000 0.940 48 N CB 1.338 39.819 38.487 -0.010 0.000 1.122 48 N HN 0.818 nan 8.380 nan 0.000 0.509 49 L N 2.631 123.833 121.223 -0.035 0.000 2.049 49 L HA 0.141 4.481 4.340 -0.000 0.000 0.203 49 L C 1.095 178.031 176.870 0.109 0.000 1.074 49 L CA 0.666 55.524 54.840 0.030 0.000 0.749 49 L CB -0.247 41.779 42.059 -0.056 0.000 0.907 49 L HN 0.357 nan 8.230 nan 0.000 0.439 50 L N 0.248 121.534 121.223 0.106 0.000 2.476 50 L HA 0.083 4.423 4.340 -0.000 0.000 0.255 50 L C -0.018 176.900 176.870 0.080 0.000 1.218 50 L CA 0.061 54.971 54.840 0.116 0.000 0.819 50 L CB 0.180 42.321 42.059 0.137 0.000 1.119 50 L HN 0.166 nan 8.230 nan 0.000 0.485 51 N N -0.214 118.533 118.700 0.078 0.000 2.839 51 N HA 0.159 4.899 4.740 -0.000 0.000 0.230 51 N C -0.559 174.994 175.510 0.072 0.000 1.388 51 N CA -0.592 52.496 53.050 0.063 0.000 0.747 51 N CB 0.497 39.012 38.487 0.046 0.000 1.411 51 N HN 0.337 nan 8.380 nan 0.000 0.556 52 R N -0.333 120.226 120.500 0.097 0.000 2.404 52 R HA 0.287 4.627 4.340 -0.000 0.000 0.236 52 R C 1.043 177.391 176.300 0.081 0.000 1.044 52 R CA -0.059 56.116 56.100 0.125 0.000 1.133 52 R CB -1.279 29.129 30.300 0.181 0.000 1.142 52 R HN 0.122 nan 8.270 nan 0.000 0.512 53 T N -0.104 114.483 114.554 0.056 0.000 2.746 53 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 53 T C 0.644 175.369 174.700 0.041 0.000 1.039 53 T CA 1.734 63.859 62.100 0.041 0.000 1.142 53 T CB -0.113 68.774 68.868 0.032 0.000 0.866 53 T HN 0.426 nan 8.240 nan 0.000 0.444 54 T N 1.024 115.602 114.554 0.041 0.000 2.847 54 T HA 0.317 4.667 4.350 -0.000 0.000 0.279 54 T C 1.195 175.923 174.700 0.047 0.000 0.984 54 T CA -0.791 61.330 62.100 0.035 0.000 0.988 54 T CB 1.617 70.499 68.868 0.024 0.000 1.040 54 T HN 0.146 nan 8.240 nan 0.000 0.528 55 R N 0.396 120.919 120.500 0.039 0.000 2.154 55 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 55 R C 0.394 176.728 176.300 0.056 0.000 1.121 55 R CA 1.539 57.668 56.100 0.048 0.000 0.915 55 R CB -0.058 30.259 30.300 0.029 0.000 0.856 55 R HN 0.528 nan 8.270 nan 0.000 0.431 56 Q N 1.334 121.136 119.800 0.004 0.000 2.235 56 Q HA 0.183 4.523 4.340 -0.000 0.000 0.250 56 Q C -0.554 175.411 176.000 -0.059 0.000 0.909 56 Q CA -0.627 55.135 55.803 -0.068 0.000 0.910 56 Q CB 1.406 30.082 28.738 -0.103 0.000 1.223 56 Q HN 0.281 nan 8.270 nan 0.000 0.432 57 L N -0.505 120.643 121.223 -0.126 0.000 2.490 57 L HA 0.419 4.759 4.340 -0.000 0.000 0.274 57 L C 0.223 177.051 176.870 -0.070 0.000 1.201 57 L CA 0.329 55.143 54.840 -0.044 0.000 0.869 57 L CB 0.182 42.229 42.059 -0.020 0.000 1.123 57 L HN 0.412 nan 8.230 nan 0.000 0.484 58 S N 2.147 117.836 115.700 -0.020 0.000 2.634 58 S HA 0.831 5.301 4.470 -0.000 0.000 0.296 58 S C -0.589 174.012 174.600 0.002 0.000 1.104 58 S CA -0.806 57.377 58.200 -0.028 0.000 0.920 58 S CB 0.900 64.092 63.200 -0.014 0.000 1.111 58 S HN 0.599 nan 8.310 nan 0.000 0.493 59 L N 3.130 124.349 121.223 -0.006 0.000 2.380 59 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 59 L C 1.170 178.074 176.870 0.056 0.000 1.138 59 L CA -0.257 54.607 54.840 0.040 0.000 0.832 59 L CB 0.457 42.530 42.059 0.024 0.000 1.124 59 L HN 0.777 nan 8.230 nan 0.000 0.454 60 T N -2.027 112.573 114.554 0.077 0.000 2.813 60 T HA 0.048 4.398 4.350 -0.000 0.000 0.297 60 T C 1.041 175.786 174.700 0.074 0.000 1.036 60 T CA -0.600 61.538 62.100 0.064 0.000 1.044 60 T CB 0.840 69.742 68.868 0.056 0.000 0.993 60 T HN 0.667 nan 8.240 nan 0.000 0.535 61 E N 0.713 120.950 120.200 0.061 0.000 2.097 61 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 61 E C 1.777 178.427 176.600 0.083 0.000 1.000 61 E CA 1.846 58.285 56.400 0.065 0.000 0.804 61 E CB -0.109 29.622 29.700 0.050 0.000 0.740 61 E HN 0.796 nan 8.360 nan 0.000 0.454 62 E N -1.052 119.196 120.200 0.080 0.000 2.112 62 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 62 E C 1.951 178.638 176.600 0.145 0.000 0.979 62 E CA 0.863 57.319 56.400 0.094 0.000 0.814 62 E CB -0.493 29.242 29.700 0.058 0.000 0.762 62 E HN 0.349 nan 8.360 nan 0.000 0.460 63 G N 0.765 109.651 108.800 0.144 0.000 2.448 63 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 63 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 63 G C 1.600 176.721 174.900 0.368 0.000 1.127 63 G CA 0.850 46.090 45.100 0.234 0.000 0.766 63 G HN 0.371 nan 8.290 nan 0.000 0.552 64 A N 0.049 123.021 122.820 0.254 0.000 1.930 64 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 64 A C 2.215 179.984 177.584 0.308 0.000 1.176 64 A CA 1.755 53.951 52.037 0.265 0.000 0.632 64 A CB -0.359 18.734 19.000 0.155 0.000 0.819 64 A HN 0.422 nan 8.150 nan 0.000 0.445 65 Q N -2.100 117.839 119.800 0.232 0.000 2.224 65 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 65 Q C 1.710 177.832 176.000 0.203 0.000 0.970 65 Q CA 1.538 57.449 55.803 0.181 0.000 0.865 65 Q CB -0.257 28.559 28.738 0.131 0.000 0.922 65 Q HN 0.781 nan 8.270 nan 0.000 0.445 66 Y N -0.641 119.763 120.300 0.172 0.000 2.337 66 Y HA -0.180 4.370 4.550 -0.000 0.000 0.293 66 Y C 1.677 177.765 175.900 0.314 0.000 1.123 66 Y CA 1.221 59.421 58.100 0.167 0.000 1.201 66 Y CB -0.076 38.425 38.460 0.069 0.000 1.011 66 Y HN 0.261 nan 8.280 nan 0.000 0.545 67 F N 1.149 121.362 119.950 0.439 0.000 2.102 67 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 67 F C 2.573 178.407 175.800 0.056 0.000 1.105 67 F CA 2.018 60.191 58.000 0.290 0.000 1.239 67 F CB -0.541 38.520 39.000 0.102 0.000 0.991 67 F HN -0.028 nan 8.300 nan 0.000 0.474 68 R N 0.947 121.411 120.500 -0.060 0.000 2.096 68 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 68 R C 2.311 178.463 176.300 -0.246 0.000 1.139 68 R CA 2.015 58.003 56.100 -0.187 0.000 0.952 68 R CB -0.757 29.537 30.300 -0.009 0.000 0.854 68 R HN 0.329 nan 8.270 nan 0.000 0.436 69 R N -0.339 120.037 120.500 -0.206 0.000 2.075 69 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 69 R C 2.334 178.445 176.300 -0.314 0.000 1.126 69 R CA 1.293 57.244 56.100 -0.249 0.000 0.963 69 R CB -0.520 29.615 30.300 -0.276 0.000 0.858 69 R HN 0.359 nan 8.270 nan 0.000 0.435 70 A N 1.151 123.742 122.820 -0.382 0.000 1.908 70 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 70 A C 2.121 179.561 177.584 -0.241 0.000 1.181 70 A CA 1.644 53.522 52.037 -0.264 0.000 0.627 70 A CB -0.561 18.453 19.000 0.022 0.000 0.818 70 A HN 0.392 nan 8.150 nan 0.000 0.445 71 Q N -0.756 118.783 119.800 -0.435 0.000 2.050 71 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 71 Q C 2.373 178.237 176.000 -0.226 0.000 0.980 71 Q CA 1.786 57.339 55.803 -0.416 0.000 0.840 71 Q CB -0.163 28.154 28.738 -0.702 0.000 0.898 71 Q HN 0.661 nan 8.270 nan 0.000 0.424 72 R N -0.018 120.357 120.500 -0.210 0.000 2.081 72 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 72 R C 2.223 178.465 176.300 -0.098 0.000 1.131 72 R CA 1.270 57.292 56.100 -0.130 0.000 0.960 72 R CB -0.191 30.038 30.300 -0.118 0.000 0.856 72 R HN 0.335 nan 8.270 nan 0.000 0.436 73 I N 1.362 121.867 120.570 -0.109 0.000 2.091 73 I HA -0.338 3.832 4.170 -0.000 0.000 0.239 73 I C 2.305 178.393 176.117 -0.048 0.000 1.061 73 I CA 1.662 62.917 61.300 -0.074 0.000 1.317 73 I CB -1.015 36.937 38.000 -0.081 0.000 1.031 73 I HN 0.321 nan 8.210 nan 0.000 0.401 74 L N -0.263 120.930 121.223 -0.050 0.000 2.191 74 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 74 L C 2.612 179.473 176.870 -0.014 0.000 1.103 74 L CA 1.073 55.901 54.840 -0.020 0.000 0.769 74 L CB -0.573 41.478 42.059 -0.014 0.000 0.908 74 L HN 0.363 nan 8.230 nan 0.000 0.438 75 Q N 0.350 120.131 119.800 -0.032 0.000 1.965 75 Q HA -0.220 4.119 4.340 -0.000 0.000 0.200 75 Q C 1.990 177.984 176.000 -0.011 0.000 0.981 75 Q CA 1.885 57.678 55.803 -0.018 0.000 0.834 75 Q CB -0.101 28.618 28.738 -0.032 0.000 0.900 75 Q HN 0.585 nan 8.270 nan 0.000 0.426 76 E N -0.013 120.173 120.200 -0.023 0.000 2.511 76 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 76 E C 1.734 178.330 176.600 -0.007 0.000 1.066 76 E CA 0.197 56.588 56.400 -0.015 0.000 0.871 76 E CB -0.047 29.639 29.700 -0.025 0.000 0.863 76 E HN 0.324 nan 8.360 nan 0.000 0.520 77 M N 1.114 120.711 119.600 -0.005 0.000 2.098 77 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 77 M C 2.373 178.682 176.300 0.014 0.000 1.072 77 M CA 1.735 57.038 55.300 0.004 0.000 1.133 77 M CB -0.071 32.532 32.600 0.005 0.000 1.344 77 M HN 0.283 nan 8.290 nan 0.000 0.414 78 A N 0.218 123.049 122.820 0.018 0.000 1.978 78 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 78 A C 2.218 179.819 177.584 0.029 0.000 1.170 78 A CA 1.962 54.017 52.037 0.029 0.000 0.636 78 A CB -1.147 17.875 19.000 0.036 0.000 0.810 78 A HN 0.647 nan 8.150 nan 0.000 0.448 79 A N -0.421 122.413 122.820 0.022 0.000 1.930 79 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 79 A C 2.412 180.012 177.584 0.027 0.000 1.175 79 A CA 1.831 53.883 52.037 0.026 0.000 0.627 79 A CB -0.778 18.232 19.000 0.017 0.000 0.815 79 A HN 1.042 nan 8.150 nan 0.000 0.443 80 A N -0.680 122.152 122.820 0.019 0.000 2.067 80 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 80 A C 1.913 179.509 177.584 0.021 0.000 1.156 80 A CA 1.365 53.413 52.037 0.018 0.000 0.683 80 A CB -0.360 18.647 19.000 0.011 0.000 0.808 80 A HN 0.648 nan 8.150 nan 0.000 0.455 81 E N -0.432 119.782 120.200 0.024 0.000 2.031 81 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 81 E C 1.944 178.562 176.600 0.031 0.000 0.994 81 E CA 1.710 58.127 56.400 0.028 0.000 0.800 81 E CB -0.140 29.579 29.700 0.033 0.000 0.752 81 E HN 0.497 nan 8.360 nan 0.000 0.447 82 T N 0.636 115.210 114.554 0.034 0.000 2.652 82 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 82 T C 1.686 176.408 174.700 0.036 0.000 1.039 82 T CA 1.611 63.733 62.100 0.036 0.000 1.153 82 T CB -0.341 68.551 68.868 0.040 0.000 0.863 82 T HN 0.314 nan 8.240 nan 0.000 0.428 83 E N -0.182 120.040 120.200 0.038 0.000 2.187 83 E HA -0.187 4.162 4.350 -0.000 0.000 0.199 83 E C 1.911 178.522 176.600 0.019 0.000 1.004 83 E CA 1.053 57.475 56.400 0.037 0.000 0.813 83 E CB -0.002 29.717 29.700 0.032 0.000 0.736 83 E HN 0.314 nan 8.360 nan 0.000 0.468 84 M N -0.351 119.257 119.600 0.014 0.000 2.357 84 M HA 0.013 4.493 4.480 -0.000 0.000 0.266 84 M C 2.233 178.537 176.300 0.007 0.000 1.095 84 M CA 0.703 56.003 55.300 0.001 0.000 1.156 84 M CB -0.546 32.059 32.600 0.009 0.000 1.365 84 M HN 0.176 nan 8.290 nan 0.000 0.447 85 L N -0.002 121.234 121.223 0.023 0.000 2.187 85 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 85 L C 1.739 178.626 176.870 0.028 0.000 1.100 85 L CA 0.813 55.672 54.840 0.031 0.000 0.765 85 L CB -0.614 41.465 42.059 0.034 0.000 0.904 85 L HN 0.211 nan 8.230 nan 0.000 0.437 86 A N -1.247 121.586 122.820 0.021 0.000 2.640 86 A HA 0.341 4.661 4.320 -0.000 0.000 0.282 86 A C 1.463 179.048 177.584 0.001 0.000 1.357 86 A CA -0.111 51.941 52.037 0.025 0.000 0.946 86 A CB -0.141 18.887 19.000 0.047 0.000 1.065 86 A HN 0.108 nan 8.150 nan 0.000 0.541 87 V N -0.974 118.913 119.914 -0.043 0.000 2.484 87 V HA -0.007 4.113 4.120 -0.000 0.000 0.236 87 V C 1.718 177.711 176.094 -0.169 0.000 1.062 87 V CA 1.029 63.241 62.300 -0.147 0.000 1.081 87 V CB -0.690 30.976 31.823 -0.263 0.000 0.751 87 V HN 0.668 nan 8.190 nan 0.000 0.484 88 H N 0.753 119.831 119.070 0.014 0.000 2.536 88 H HA 0.375 4.931 4.556 -0.000 0.000 0.276 88 H C 0.144 175.475 175.328 0.005 0.000 1.019 88 H CA 0.197 56.250 56.048 0.008 0.000 1.159 88 H CB 0.134 29.901 29.762 0.007 0.000 1.373 88 H HN 0.591 nan 8.280 nan 0.000 0.584 89 E N 0.155 120.406 120.200 0.086 0.000 2.416 89 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 89 E C -0.706 175.912 176.600 0.030 0.000 0.935 89 E CA -0.750 55.681 56.400 0.051 0.000 0.784 89 E CB 2.980 32.706 29.700 0.045 0.000 1.301 89 E HN -0.015 nan 8.360 nan 0.000 0.454 90 I N 1.819 122.398 120.570 0.014 0.000 2.686 90 I HA 0.289 4.459 4.170 -0.000 0.000 0.295 90 I C -2.403 173.720 176.117 0.010 0.000 1.114 90 I CA -2.263 59.046 61.300 0.016 0.000 1.038 90 I CB 2.574 40.567 38.000 -0.011 0.000 1.238 90 I HN 0.284 nan 8.210 nan 0.000 0.420 91 P HA 0.169 nan 4.420 nan 0.000 0.274 91 P C -1.322 176.012 177.300 0.056 0.000 1.291 91 P CA -0.143 62.967 63.100 0.017 0.000 0.815 91 P CB 0.877 32.549 31.700 -0.047 0.000 0.897 92 Q N 2.686 122.502 119.800 0.026 0.000 2.315 92 Q HA 0.689 5.029 4.340 -0.000 0.000 0.273 92 Q C -0.678 175.339 176.000 0.029 0.000 1.053 92 Q CA -0.333 55.496 55.803 0.043 0.000 0.817 92 Q CB 1.930 30.646 28.738 -0.037 0.000 1.326 92 Q HN 0.735 nan 8.270 nan 0.000 0.423 93 G N 0.306 109.133 108.800 0.044 0.000 2.355 93 G HA2 0.122 4.082 3.960 -0.000 0.000 0.619 93 G HA3 0.122 4.082 3.960 -0.000 0.000 0.619 93 G C -1.672 173.238 174.900 0.017 0.000 1.337 93 G CA -0.520 44.594 45.100 0.023 0.000 0.993 93 G HN 1.050 nan 8.290 nan 0.000 0.599 94 V N 0.348 120.263 119.914 0.003 0.000 2.521 94 V HA 0.559 4.679 4.120 -0.000 0.000 0.286 94 V C -0.027 176.045 176.094 -0.037 0.000 1.034 94 V CA -0.081 62.212 62.300 -0.011 0.000 1.045 94 V CB 0.855 32.671 31.823 -0.012 0.000 0.974 94 V HN 1.179 nan 8.190 nan 0.000 0.480 95 L N 6.971 128.154 121.223 -0.067 0.000 2.342 95 L HA 0.575 4.915 4.340 -0.000 0.000 0.276 95 L C -0.024 176.733 176.870 -0.190 0.000 0.997 95 L CA 0.413 55.167 54.840 -0.142 0.000 0.838 95 L CB 1.829 43.772 42.059 -0.193 0.000 1.224 95 L HN 0.636 nan 8.230 nan 0.000 0.416 96 S N 4.757 120.360 115.700 -0.160 0.000 2.474 96 S HA 0.521 4.991 4.470 -0.000 0.000 0.320 96 S C -0.326 174.181 174.600 -0.154 0.000 1.067 96 S CA -0.619 57.504 58.200 -0.129 0.000 1.127 96 S CB 0.753 63.914 63.200 -0.064 0.000 0.971 96 S HN 0.554 nan 8.310 nan 0.000 0.472 97 V N 0.511 120.306 119.914 -0.198 0.000 2.439 97 V HA 0.633 4.753 4.120 -0.000 0.000 0.282 97 V C -0.529 175.523 176.094 -0.071 0.000 1.039 97 V CA -0.735 61.464 62.300 -0.170 0.000 0.913 97 V CB 1.560 33.229 31.823 -0.256 0.000 0.983 97 V HN 0.609 nan 8.190 nan 0.000 0.460 98 D N 3.703 124.082 120.400 -0.034 0.000 2.462 98 D HA 0.484 5.124 4.640 -0.000 0.000 0.249 98 D C -0.252 176.041 176.300 -0.011 0.000 1.117 98 D CA 0.010 53.997 54.000 -0.022 0.000 0.900 98 D CB 0.963 41.748 40.800 -0.027 0.000 1.039 98 D HN 0.756 nan 8.370 nan 0.000 0.516 99 S N 1.075 116.781 115.700 0.011 0.000 2.621 99 S HA 0.829 5.299 4.470 -0.000 0.000 0.302 99 S C 0.061 174.687 174.600 0.044 0.000 1.093 99 S CA -0.984 57.240 58.200 0.040 0.000 1.017 99 S CB 1.687 64.933 63.200 0.078 0.000 1.077 99 S HN 0.607 nan 8.310 nan 0.000 0.517 100 A N 1.459 124.322 122.820 0.072 0.000 2.483 100 A HA 0.273 4.593 4.320 -0.000 0.000 0.238 100 A C 1.239 178.896 177.584 0.122 0.000 1.070 100 A CA -0.306 51.788 52.037 0.096 0.000 0.770 100 A CB -0.295 18.794 19.000 0.147 0.000 1.008 100 A HN 0.900 nan 8.150 nan 0.000 0.497 101 M N 2.860 122.524 119.600 0.106 0.000 2.108 101 M HA -0.045 4.435 4.480 -0.000 0.000 0.261 101 M C -0.988 175.396 176.300 0.141 0.000 1.066 101 M CA 1.934 57.297 55.300 0.105 0.000 1.107 101 M CB -1.473 31.175 32.600 0.081 0.000 1.356 101 M HN 0.507 nan 8.290 nan 0.000 0.406 102 P HA -0.196 nan 4.420 nan 0.000 0.216 102 P C 1.706 179.181 177.300 0.291 0.000 1.154 102 P CA 1.782 64.962 63.100 0.133 0.000 0.865 102 P CB -0.256 31.512 31.700 0.114 0.000 0.789 103 M N -1.664 118.125 119.600 0.316 0.000 2.098 103 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 103 M C 2.093 178.500 176.300 0.179 0.000 1.072 103 M CA 1.502 56.956 55.300 0.256 0.000 1.133 103 M CB -0.983 31.727 32.600 0.184 0.000 1.344 103 M HN -0.234 nan 8.290 nan 0.000 0.414 104 V N 1.047 121.050 119.914 0.148 0.000 2.392 104 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 104 V C 2.311 178.475 176.094 0.117 0.000 1.059 104 V CA 1.675 64.041 62.300 0.109 0.000 1.051 104 V CB -0.620 31.253 31.823 0.082 0.000 0.658 104 V HN 0.433 nan 8.190 nan 0.000 0.455 105 L N -1.322 120.001 121.223 0.167 0.000 2.056 105 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 105 L C 2.466 179.421 176.870 0.143 0.000 1.078 105 L CA 1.686 56.627 54.840 0.167 0.000 0.749 105 L CB -0.388 41.818 42.059 0.246 0.000 0.901 105 L HN 0.414 nan 8.230 nan 0.000 0.433 106 H N -1.864 117.259 119.070 0.089 0.000 2.439 106 H HA 0.110 4.666 4.556 -0.000 0.000 0.299 106 H C 1.944 177.290 175.328 0.031 0.000 1.033 106 H CA 0.825 56.925 56.048 0.086 0.000 1.348 106 H CB 0.274 30.145 29.762 0.182 0.000 1.449 106 H HN 0.082 nan 8.280 nan 0.000 0.544 107 L N -0.627 120.666 121.223 0.116 0.000 2.189 107 L HA 0.057 4.397 4.340 -0.000 0.000 0.199 107 L C 1.859 178.723 176.870 -0.010 0.000 1.074 107 L CA 0.597 55.410 54.840 -0.044 0.000 0.783 107 L CB -0.320 41.620 42.059 -0.197 0.000 0.955 107 L HN 0.144 nan 8.230 nan 0.000 0.460 108 L N 0.025 121.264 121.223 0.026 0.000 2.072 108 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 108 L C 2.927 179.823 176.870 0.043 0.000 1.079 108 L CA 0.952 55.816 54.840 0.040 0.000 0.752 108 L CB -0.769 41.328 42.059 0.063 0.000 0.906 108 L HN 0.208 nan 8.230 nan 0.000 0.436 109 A N 1.172 124.015 122.820 0.040 0.000 1.859 109 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 109 A C -0.087 177.511 177.584 0.024 0.000 1.198 109 A CA 2.093 54.147 52.037 0.027 0.000 0.629 109 A CB -2.047 16.961 19.000 0.013 0.000 0.830 109 A HN 0.340 nan 8.150 nan 0.000 0.446 110 P HA 0.052 nan 4.420 nan 0.000 0.242 110 P C 0.513 177.844 177.300 0.052 0.000 1.197 110 P CA 0.578 63.687 63.100 0.015 0.000 0.765 110 P CB 0.152 31.845 31.700 -0.013 0.000 0.936 111 L N -1.076 120.198 121.223 0.085 0.000 2.609 111 L HA 0.328 4.668 4.340 -0.000 0.000 0.230 111 L C 2.476 179.456 176.870 0.184 0.000 1.087 111 L CA 0.425 55.374 54.840 0.183 0.000 0.874 111 L CB -1.406 40.804 42.059 0.253 0.000 1.114 111 L HN -0.138 nan 8.230 nan 0.000 0.488 112 A N 0.221 123.103 122.820 0.103 0.000 1.940 112 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 112 A C 2.524 180.179 177.584 0.119 0.000 1.176 112 A CA 1.827 53.925 52.037 0.102 0.000 0.631 112 A CB -0.698 18.343 19.000 0.069 0.000 0.814 112 A HN 0.348 nan 8.150 nan 0.000 0.446 113 A N -0.106 122.769 122.820 0.091 0.000 1.884 113 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 113 A C 2.159 179.791 177.584 0.080 0.000 1.197 113 A CA 2.343 54.421 52.037 0.069 0.000 0.637 113 A CB -0.550 18.482 19.000 0.052 0.000 0.827 113 A HN 0.600 nan 8.150 nan 0.000 0.450 114 K N -1.787 118.697 120.400 0.140 0.000 1.984 114 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 114 K C 1.888 178.567 176.600 0.132 0.000 1.046 114 K CA 1.608 58.003 56.287 0.180 0.000 0.934 114 K CB -0.388 32.319 32.500 0.345 0.000 0.717 114 K HN 0.359 nan 8.250 nan 0.000 0.438 115 F N 2.526 122.411 119.950 -0.108 0.000 2.202 115 F HA -0.267 4.260 4.527 -0.000 0.000 0.301 115 F C 1.957 177.691 175.800 -0.109 0.000 1.082 115 F CA 1.993 59.772 58.000 -0.369 0.000 1.313 115 F CB -0.468 38.107 39.000 -0.708 0.000 1.024 115 F HN 0.263 nan 8.300 nan 0.000 0.495 116 N N 0.536 119.249 118.700 0.020 0.000 2.013 116 N HA -0.244 4.496 4.740 -0.000 0.000 0.195 116 N C 1.777 177.198 175.510 -0.148 0.000 1.051 116 N CA 2.394 55.423 53.050 -0.036 0.000 0.851 116 N CB -0.505 37.992 38.487 0.017 0.000 1.044 116 N HN 0.470 nan 8.380 nan 0.000 0.422 117 E N -0.275 119.850 120.200 -0.124 0.000 2.070 117 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 117 E C 2.264 178.710 176.600 -0.256 0.000 1.004 117 E CA 1.084 57.395 56.400 -0.150 0.000 0.805 117 E CB -0.149 29.490 29.700 -0.101 0.000 0.744 117 E HN 0.418 nan 8.360 nan 0.000 0.451 118 R N -0.312 119.962 120.500 -0.378 0.000 2.096 118 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 118 R C 0.377 176.086 176.300 -0.985 0.000 1.127 118 R CA 1.007 56.691 56.100 -0.694 0.000 0.968 118 R CB 0.027 29.815 30.300 -0.854 0.000 0.861 118 R HN 0.248 nan 8.270 nan 0.000 0.440 119 Y N -0.650 119.430 120.300 -0.366 0.000 2.662 119 Y HA 0.271 4.821 4.550 -0.000 0.000 0.358 119 Y C -1.922 173.815 175.900 -0.272 0.000 1.041 119 Y CA -2.191 55.710 58.100 -0.331 0.000 1.184 119 Y CB 1.455 39.612 38.460 -0.505 0.000 1.114 119 Y HN -0.018 nan 8.280 nan 0.000 0.650 120 P HA -0.075 nan 4.420 nan 0.000 0.236 120 P C 0.942 178.124 177.300 -0.197 0.000 1.177 120 P CA 1.369 64.356 63.100 -0.189 0.000 0.773 120 P CB 0.344 31.888 31.700 -0.260 0.000 0.878 121 H N -0.753 118.318 119.070 0.002 0.000 2.548 121 H HA 0.196 4.752 4.556 -0.000 0.000 0.268 121 H C 0.902 176.241 175.328 0.018 0.000 0.975 121 H CA 0.162 56.216 56.048 0.011 0.000 1.195 121 H CB 0.112 29.884 29.762 0.016 0.000 1.397 121 H HN 0.202 nan 8.280 nan 0.000 0.572 122 I N 2.506 123.147 120.570 0.118 0.000 2.379 122 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 122 I C 0.399 176.571 176.117 0.091 0.000 1.063 122 I CA 0.002 61.364 61.300 0.103 0.000 1.351 122 I CB 0.723 38.804 38.000 0.134 0.000 1.410 122 I HN -0.184 nan 8.210 nan 0.000 0.505 123 R N 6.848 127.386 120.500 0.062 0.000 2.308 123 R HA 0.357 4.697 4.340 -0.000 0.000 0.325 123 R C -0.501 175.810 176.300 0.019 0.000 1.161 123 R CA -0.505 55.618 56.100 0.039 0.000 1.022 123 R CB 0.531 30.845 30.300 0.023 0.000 1.091 123 R HN 0.567 nan 8.270 nan 0.000 0.497 124 L N 1.843 123.086 121.223 0.032 0.000 2.380 124 L HA 0.116 4.456 4.340 -0.000 0.000 0.273 124 L C 0.142 176.983 176.870 -0.049 0.000 1.138 124 L CA 0.207 55.030 54.840 -0.028 0.000 0.832 124 L CB 1.315 43.374 42.059 -0.001 0.000 1.124 124 L HN 0.469 nan 8.230 nan 0.000 0.454 125 S N 6.021 121.666 115.700 -0.091 0.000 2.532 125 S HA 0.408 4.878 4.470 -0.000 0.000 0.256 125 S C -0.442 174.109 174.600 -0.083 0.000 1.298 125 S CA -0.774 57.385 58.200 -0.068 0.000 1.166 125 S CB 0.161 63.327 63.200 -0.056 0.000 1.022 125 S HN 0.522 nan 8.310 nan 0.000 0.480 126 L N 5.524 126.711 121.223 -0.059 0.000 2.536 126 L HA 0.325 4.665 4.340 -0.000 0.000 0.282 126 L C -0.014 176.840 176.870 -0.026 0.000 1.147 126 L CA -0.435 54.378 54.840 -0.045 0.000 0.936 126 L CB -0.022 42.026 42.059 -0.019 0.000 1.279 126 L HN 0.344 nan 8.230 nan 0.000 0.461 127 V N 1.437 121.333 119.914 -0.030 0.000 3.302 127 V HA 0.628 4.748 4.120 -0.000 0.000 0.316 127 V C 0.268 176.357 176.094 -0.008 0.000 1.111 127 V CA -0.647 61.643 62.300 -0.017 0.000 1.029 127 V CB 1.950 33.761 31.823 -0.020 0.000 1.170 127 V HN 0.689 nan 8.190 nan 0.000 0.452 128 S N 0.011 115.708 115.700 -0.005 0.000 2.533 128 S HA 0.722 5.192 4.470 -0.000 0.000 0.271 128 S C -0.726 173.868 174.600 -0.009 0.000 1.143 128 S CA -0.468 57.731 58.200 -0.002 0.000 0.891 128 S CB 1.821 65.029 63.200 0.014 0.000 1.105 128 S HN 0.977 nan 8.310 nan 0.000 0.468 129 S N 0.572 116.257 115.700 -0.025 0.000 2.671 129 S HA 0.499 4.969 4.470 -0.000 0.000 0.277 129 S C -0.068 174.499 174.600 -0.055 0.000 1.165 129 S CA -0.565 57.614 58.200 -0.034 0.000 0.822 129 S CB 1.397 64.573 63.200 -0.041 0.000 1.150 129 S HN 0.700 nan 8.310 nan 0.000 0.479 130 E N 0.460 120.631 120.200 -0.049 0.000 2.079 130 E HA 0.222 4.572 4.350 -0.000 0.000 0.191 130 E C 1.030 177.565 176.600 -0.110 0.000 0.961 130 E CA 0.355 56.722 56.400 -0.055 0.000 0.823 130 E CB -0.188 29.503 29.700 -0.015 0.000 0.789 130 E HN 0.636 nan 8.360 nan 0.000 0.459 131 G N -0.585 108.167 108.800 -0.080 0.000 2.531 131 G HA2 0.199 4.159 3.960 -0.000 0.000 0.313 131 G HA3 0.199 4.159 3.960 -0.000 0.000 0.313 131 G C -0.605 174.218 174.900 -0.128 0.000 1.238 131 G CA -0.487 44.576 45.100 -0.061 0.000 0.994 131 G HN 0.115 nan 8.290 nan 0.000 0.493 132 Y N -0.140 120.153 120.300 -0.011 0.000 2.470 132 Y HA 0.164 4.714 4.550 -0.000 0.000 0.284 132 Y C 2.113 178.006 175.900 -0.013 0.000 1.188 132 Y CA -0.306 57.783 58.100 -0.018 0.000 1.269 132 Y CB -0.216 38.220 38.460 -0.040 0.000 1.094 132 Y HN 0.279 nan 8.280 nan 0.000 0.518 133 I N 0.590 121.227 120.570 0.112 0.000 2.142 133 I HA -0.350 3.820 4.170 -0.000 0.000 0.240 133 I C 2.152 178.312 176.117 0.071 0.000 1.078 133 I CA 1.424 62.772 61.300 0.080 0.000 1.343 133 I CB -0.715 37.318 38.000 0.055 0.000 1.046 133 I HN 0.298 nan 8.210 nan 0.000 0.405 134 N N 1.620 120.352 118.700 0.054 0.000 2.037 134 N HA -0.266 4.474 4.740 -0.000 0.000 0.196 134 N C 1.799 177.355 175.510 0.076 0.000 1.034 134 N CA 1.752 54.833 53.050 0.051 0.000 0.861 134 N CB -1.221 37.282 38.487 0.028 0.000 1.039 134 N HN 0.323 nan 8.380 nan 0.000 0.427 135 L N 0.326 121.599 121.223 0.083 0.000 2.083 135 L HA 0.089 4.429 4.340 -0.000 0.000 0.209 135 L C 2.124 179.081 176.870 0.144 0.000 1.083 135 L CA 1.190 56.095 54.840 0.107 0.000 0.752 135 L CB -0.585 41.533 42.059 0.098 0.000 0.899 135 L HN 0.253 nan 8.230 nan 0.000 0.433 136 I N -0.464 120.169 120.570 0.105 0.000 2.286 136 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 136 I C 2.023 178.292 176.117 0.254 0.000 1.115 136 I CA 1.414 62.798 61.300 0.140 0.000 1.392 136 I CB -0.322 37.723 38.000 0.075 0.000 1.065 136 I HN 0.341 nan 8.210 nan 0.000 0.418 137 E N 0.726 121.020 120.200 0.157 0.000 2.511 137 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 137 E C 0.130 176.798 176.600 0.113 0.000 1.066 137 E CA -0.049 56.422 56.400 0.118 0.000 0.871 137 E CB 0.122 29.867 29.700 0.074 0.000 0.863 137 E HN 0.303 nan 8.360 nan 0.000 0.520 138 R N -0.170 120.429 120.500 0.164 0.000 3.651 138 R HA -0.245 4.095 4.340 -0.000 0.000 0.292 138 R C 1.112 177.455 176.300 0.072 0.000 1.161 138 R CA 1.213 57.395 56.100 0.135 0.000 0.787 138 R CB -2.022 28.322 30.300 0.075 0.000 1.249 138 R HN 0.301 nan 8.270 nan 0.000 0.476 139 K N -1.077 119.361 120.400 0.063 0.000 2.314 139 K HA 0.175 4.495 4.320 -0.000 0.000 0.198 139 K C 0.684 177.301 176.600 0.027 0.000 1.045 139 K CA 0.467 56.776 56.287 0.036 0.000 0.988 139 K CB 0.679 33.197 32.500 0.029 0.000 0.783 139 K HN 0.038 nan 8.250 nan 0.000 0.484 140 V N 2.158 122.096 119.914 0.040 0.000 2.769 140 V HA 0.075 4.195 4.120 -0.000 0.000 0.312 140 V C 0.013 176.137 176.094 0.051 0.000 1.058 140 V CA -0.714 61.600 62.300 0.024 0.000 0.952 140 V CB 1.928 33.759 31.823 0.014 0.000 1.019 140 V HN 0.190 nan 8.190 nan 0.000 0.445 141 D N 1.693 122.104 120.400 0.018 0.000 2.262 141 D HA 0.170 4.810 4.640 -0.000 0.000 0.212 141 D C 0.084 176.428 176.300 0.073 0.000 0.964 141 D CA 1.051 55.076 54.000 0.041 0.000 0.875 141 D CB 0.979 41.763 40.800 -0.026 0.000 0.996 141 D HN 0.314 nan 8.370 nan 0.000 0.497 142 I N -0.317 120.265 120.570 0.020 0.000 2.692 142 I HA 0.496 4.666 4.170 -0.000 0.000 0.293 142 I C -1.994 174.155 176.117 0.052 0.000 1.200 142 I CA -1.170 60.163 61.300 0.054 0.000 1.036 142 I CB 1.996 39.981 38.000 -0.024 0.000 1.258 142 I HN -0.131 nan 8.210 nan 0.000 0.421 143 A N 7.867 130.748 122.820 0.102 0.000 2.330 143 A HA 0.779 5.099 4.320 -0.000 0.000 0.313 143 A C -1.342 176.298 177.584 0.093 0.000 1.124 143 A CA -0.586 51.492 52.037 0.069 0.000 0.774 143 A CB 0.750 19.776 19.000 0.043 0.000 1.198 143 A HN 0.693 nan 8.150 nan 0.000 0.465 144 L N 3.676 124.947 121.223 0.079 0.000 2.261 144 L HA 0.537 4.877 4.340 -0.000 0.000 0.289 144 L C -0.084 176.829 176.870 0.071 0.000 1.059 144 L CA -0.416 54.480 54.840 0.093 0.000 0.816 144 L CB 0.184 42.313 42.059 0.118 0.000 1.191 144 L HN 0.566 nan 8.230 nan 0.000 0.431 145 R N 2.735 123.267 120.500 0.054 0.000 2.533 145 R HA 0.364 4.704 4.340 -0.000 0.000 0.288 145 R C -0.173 176.067 176.300 -0.100 0.000 1.039 145 R CA -0.659 55.444 56.100 0.004 0.000 0.909 145 R CB 2.051 32.349 30.300 -0.002 0.000 1.195 145 R HN 0.614 nan 8.270 nan 0.000 0.438 146 A N 1.554 124.204 122.820 -0.284 0.000 2.426 146 A HA 0.286 4.606 4.320 -0.000 0.000 0.247 146 A C 0.646 178.018 177.584 -0.353 0.000 1.389 146 A CA 0.329 51.881 52.037 -0.807 0.000 1.129 146 A CB -0.420 17.611 19.000 -1.615 0.000 0.928 146 A HN 0.584 nan 8.150 nan 0.000 0.557 147 G N -0.656 108.064 108.800 -0.133 0.000 2.478 147 G HA2 0.519 4.479 3.960 -0.000 0.000 0.317 147 G HA3 0.519 4.479 3.960 -0.000 0.000 0.317 147 G C -0.292 174.589 174.900 -0.032 0.000 1.259 147 G CA -0.407 44.699 45.100 0.010 0.000 0.933 147 G HN 0.389 nan 8.290 nan 0.000 0.478 148 E N 2.442 122.622 120.200 -0.033 0.000 2.598 148 E HA 0.180 4.530 4.350 -0.000 0.000 0.233 148 E C 0.067 176.628 176.600 -0.065 0.000 1.173 148 E CA -0.049 56.316 56.400 -0.059 0.000 1.473 148 E CB 0.471 30.141 29.700 -0.050 0.000 1.398 148 E HN 0.341 nan 8.360 nan 0.000 0.431 149 L N 1.024 122.191 121.223 -0.094 0.000 3.168 149 L HA 0.282 4.622 4.340 -0.000 0.000 0.277 149 L C -0.231 176.505 176.870 -0.224 0.000 1.308 149 L CA -0.070 54.695 54.840 -0.125 0.000 0.976 149 L CB 0.353 42.357 42.059 -0.092 0.000 1.383 149 L HN 0.013 nan 8.230 nan 0.000 0.572 150 D N 0.147 120.418 120.400 -0.215 0.000 2.772 150 D HA 0.037 4.677 4.640 -0.000 0.000 0.272 150 D C 0.300 176.489 176.300 -0.184 0.000 1.314 150 D CA -0.071 53.766 54.000 -0.271 0.000 0.835 150 D CB 0.531 41.170 40.800 -0.268 0.000 1.080 150 D HN 0.287 nan 8.370 nan 0.000 0.482 151 D N 0.228 120.541 120.400 -0.145 0.000 2.801 151 D HA -0.030 4.610 4.640 -0.000 0.000 0.232 151 D C 0.540 176.777 176.300 -0.106 0.000 1.128 151 D CA -0.135 53.802 54.000 -0.106 0.000 1.003 151 D CB 0.381 41.133 40.800 -0.079 0.000 1.110 151 D HN -0.101 nan 8.370 nan 0.000 0.477 152 S N -0.286 115.337 115.700 -0.128 0.000 2.846 152 S HA 0.425 4.895 4.470 -0.000 0.000 0.249 152 S C 1.509 176.043 174.600 -0.110 0.000 1.028 152 S CA 0.277 58.402 58.200 -0.125 0.000 1.043 152 S CB -0.379 62.718 63.200 -0.172 0.000 0.990 152 S HN 0.579 nan 8.310 nan 0.000 0.564 153 G N 1.611 110.354 108.800 -0.095 0.000 2.480 153 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 153 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 153 G C 0.113 174.945 174.900 -0.113 0.000 1.073 153 G CA 0.669 45.722 45.100 -0.077 0.000 0.643 153 G HN 1.213 nan 8.290 nan 0.000 0.525 154 L N 0.781 121.899 121.223 -0.175 0.000 2.499 154 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 154 L C 0.776 177.482 176.870 -0.273 0.000 1.195 154 L CA -0.864 53.813 54.840 -0.271 0.000 0.882 154 L CB 0.243 42.058 42.059 -0.407 0.000 1.133 154 L HN 0.175 nan 8.230 nan 0.000 0.483 155 R N 3.041 123.303 120.500 -0.395 0.000 2.694 155 R HA 0.527 4.867 4.340 -0.000 0.000 0.268 155 R C -0.171 175.997 176.300 -0.220 0.000 1.061 155 R CA 0.379 56.263 56.100 -0.361 0.000 1.133 155 R CB 0.600 30.538 30.300 -0.604 0.000 1.020 155 R HN 0.930 nan 8.270 nan 0.000 0.475 156 A N 2.948 125.725 122.820 -0.071 0.000 2.893 156 A HA 0.238 4.558 4.320 -0.000 0.000 0.333 156 A C -0.121 177.513 177.584 0.084 0.000 1.152 156 A CA -0.757 51.290 52.037 0.016 0.000 0.782 156 A CB 0.355 19.339 19.000 -0.027 0.000 1.108 156 A HN 0.504 nan 8.150 nan 0.000 0.469 157 R N 1.627 122.234 120.500 0.178 0.000 2.288 157 R HA 0.228 4.568 4.340 -0.000 0.000 0.330 157 R C 0.005 176.378 176.300 0.122 0.000 1.069 157 R CA 0.024 56.231 56.100 0.178 0.000 0.941 157 R CB -0.718 29.727 30.300 0.243 0.000 0.998 157 R HN 0.737 nan 8.270 nan 0.000 0.452 158 H N 3.177 122.265 119.070 0.030 0.000 2.948 158 H HA 0.038 4.594 4.556 -0.000 0.000 0.351 158 H C 0.177 175.508 175.328 0.006 0.000 1.079 158 H CA 0.905 56.952 56.048 -0.002 0.000 1.407 158 H CB 0.648 30.418 29.762 0.013 0.000 1.373 158 H HN 0.699 nan 8.280 nan 0.000 0.605 159 L N 3.495 124.310 121.223 -0.679 0.000 2.614 159 L HA 0.286 4.626 4.340 -0.000 0.000 0.185 159 L C -0.359 176.360 176.870 -0.252 0.000 1.098 159 L CA 0.083 54.736 54.840 -0.311 0.000 0.852 159 L CB 0.247 42.219 42.059 -0.145 0.000 1.213 159 L HN 0.619 nan 8.230 nan 0.000 0.491 160 F N -3.518 116.048 119.950 -0.641 0.000 2.779 160 F HA 0.608 5.135 4.527 -0.000 0.000 0.316 160 F C -1.735 174.044 175.800 -0.036 0.000 1.164 160 F CA -1.289 56.581 58.000 -0.217 0.000 0.924 160 F CB 0.923 39.804 39.000 -0.199 0.000 1.348 160 F HN -0.316 nan 8.300 nan 0.000 0.467 161 D N 0.567 121.154 120.400 0.313 0.000 2.340 161 D HA 0.637 5.277 4.640 -0.000 0.000 0.240 161 D C -1.321 175.160 176.300 0.302 0.000 1.001 161 D CA -0.349 53.807 54.000 0.262 0.000 0.888 161 D CB 2.272 43.225 40.800 0.255 0.000 1.310 161 D HN 0.588 nan 8.370 nan 0.000 0.474 162 S N 0.737 116.602 115.700 0.275 0.000 2.614 162 S HA 0.362 4.832 4.470 -0.000 0.000 0.275 162 S C -0.274 174.408 174.600 0.136 0.000 1.161 162 S CA -0.787 57.562 58.200 0.248 0.000 0.969 162 S CB 1.898 65.303 63.200 0.342 0.000 1.059 162 S HN 0.218 nan 8.310 nan 0.000 0.482 163 R N 1.204 121.764 120.500 0.100 0.000 2.560 163 R HA 0.452 4.792 4.340 -0.000 0.000 0.270 163 R C -0.664 175.628 176.300 -0.013 0.000 1.074 163 R CA -0.296 55.861 56.100 0.095 0.000 1.140 163 R CB 0.471 30.845 30.300 0.125 0.000 1.073 163 R HN 0.445 nan 8.270 nan 0.000 0.527 164 F N 0.706 120.703 119.950 0.079 0.000 2.380 164 F HA 0.347 4.874 4.527 -0.000 0.000 0.325 164 F C 0.905 176.701 175.800 -0.007 0.000 1.136 164 F CA -0.040 57.970 58.000 0.017 0.000 1.171 164 F CB 0.745 39.734 39.000 -0.018 0.000 1.230 164 F HN 0.143 nan 8.300 nan 0.000 0.554 165 R N 0.975 121.553 120.500 0.130 0.000 2.531 165 R HA 0.382 4.722 4.340 -0.000 0.000 0.293 165 R C -1.841 174.453 176.300 -0.010 0.000 1.124 165 R CA -0.713 55.418 56.100 0.052 0.000 0.945 165 R CB 1.878 32.186 30.300 0.014 0.000 1.195 165 R HN 0.351 nan 8.270 nan 0.000 0.433 166 V N 5.633 125.549 119.914 0.003 0.000 2.479 166 V HA 0.281 4.401 4.120 -0.000 0.000 0.281 166 V C 0.540 176.637 176.094 0.006 0.000 1.031 166 V CA 0.417 62.705 62.300 -0.019 0.000 1.038 166 V CB 0.495 32.387 31.823 0.114 0.000 0.981 166 V HN 0.604 nan 8.190 nan 0.000 0.478 167 I N 3.330 123.888 120.570 -0.021 0.000 2.865 167 I HA 0.847 5.017 4.170 -0.000 0.000 0.302 167 I C -0.016 176.101 176.117 0.000 0.000 1.140 167 I CA -0.604 60.691 61.300 -0.008 0.000 1.021 167 I CB 2.348 40.325 38.000 -0.038 0.000 1.233 167 I HN 0.711 nan 8.210 nan 0.000 0.427 168 A N 2.554 125.391 122.820 0.027 0.000 2.552 168 A HA 0.773 5.093 4.320 -0.000 0.000 0.288 168 A C -1.035 176.586 177.584 0.062 0.000 1.193 168 A CA -0.516 51.545 52.037 0.041 0.000 0.713 168 A CB 1.830 20.931 19.000 0.168 0.000 1.305 168 A HN 0.542 nan 8.150 nan 0.000 0.424 169 S N 0.058 115.816 115.700 0.096 0.000 2.585 169 S HA 0.551 5.021 4.470 -0.000 0.000 0.277 169 S C -1.585 173.101 174.600 0.143 0.000 1.241 169 S CA -1.467 56.792 58.200 0.099 0.000 1.041 169 S CB 1.005 64.257 63.200 0.086 0.000 0.987 169 S HN 0.443 nan 8.310 nan 0.000 0.512 170 P HA -0.049 nan 4.420 nan 0.000 0.223 170 P C 0.932 178.281 177.300 0.081 0.000 1.151 170 P CA 0.794 63.941 63.100 0.078 0.000 0.787 170 P CB 0.171 31.900 31.700 0.049 0.000 0.788 171 E N -0.815 119.442 120.200 0.095 0.000 2.072 171 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 171 E C 2.076 178.758 176.600 0.136 0.000 0.982 171 E CA 0.562 57.018 56.400 0.093 0.000 0.803 171 E CB -0.478 29.274 29.700 0.087 0.000 0.755 171 E HN 0.142 nan 8.360 nan 0.000 0.453 172 Y N 0.901 121.244 120.300 0.073 0.000 2.163 172 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 172 Y C 1.899 177.889 175.900 0.149 0.000 1.136 172 Y CA 1.551 59.723 58.100 0.121 0.000 1.147 172 Y CB -0.102 38.414 38.460 0.093 0.000 0.987 172 Y HN 0.004 nan 8.280 nan 0.000 0.509 173 L N -0.141 121.163 121.223 0.135 0.000 2.093 173 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 173 L C 2.539 179.402 176.870 -0.012 0.000 1.085 173 L CA 1.147 56.015 54.840 0.047 0.000 0.755 173 L CB -0.729 41.403 42.059 0.123 0.000 0.904 173 L HN 0.360 nan 8.230 nan 0.000 0.435 174 A N -1.279 121.544 122.820 0.004 0.000 2.238 174 A HA -0.015 4.305 4.320 -0.000 0.000 0.208 174 A C 1.694 179.247 177.584 -0.052 0.000 1.177 174 A CA 0.736 52.764 52.037 -0.014 0.000 0.804 174 A CB 0.007 19.010 19.000 0.004 0.000 0.823 174 A HN 0.158 nan 8.150 nan 0.000 0.482 175 K N -1.175 119.172 120.400 -0.088 0.000 2.483 175 K HA 0.210 4.530 4.320 -0.000 0.000 0.206 175 K C -0.150 176.232 176.600 -0.362 0.000 1.086 175 K CA 0.046 56.233 56.287 -0.166 0.000 1.052 175 K CB 0.378 32.820 32.500 -0.097 0.000 0.904 175 K HN 0.518 nan 8.250 nan 0.000 0.557 176 H N -0.342 118.549 119.070 -0.298 0.000 3.297 176 H HA 0.190 4.746 4.556 -0.000 0.000 0.254 176 H C 0.302 175.510 175.328 -0.200 0.000 1.192 176 H CA 0.583 56.421 56.048 -0.350 0.000 1.058 176 H CB 1.352 30.717 29.762 -0.663 0.000 1.777 176 H HN 0.323 nan 8.280 nan 0.000 0.696 177 G N 0.984 109.771 108.800 -0.021 0.000 2.712 177 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 177 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 177 G C -0.376 174.612 174.900 0.145 0.000 1.321 177 G CA -0.107 45.049 45.100 0.094 0.000 0.813 177 G HN 0.237 nan 8.290 nan 0.000 0.599 178 T N 2.866 117.472 114.554 0.086 0.000 2.788 178 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 178 T C -2.096 172.585 174.700 -0.032 0.000 1.009 178 T CA -1.075 61.038 62.100 0.020 0.000 0.949 178 T CB 1.262 70.143 68.868 0.022 0.000 0.946 178 T HN 0.612 nan 8.240 nan 0.000 0.453 179 P HA 0.245 nan 4.420 nan 0.000 0.276 179 P C 0.335 177.583 177.300 -0.087 0.000 1.243 179 P CA -0.325 62.667 63.100 -0.180 0.000 0.768 179 P CB 1.244 32.694 31.700 -0.417 0.000 0.856 180 Q N 1.097 120.872 119.800 -0.042 0.000 2.061 180 Q HA 0.061 4.401 4.340 -0.000 0.000 0.195 180 Q C 0.733 176.711 176.000 -0.037 0.000 0.967 180 Q CA 1.111 56.898 55.803 -0.027 0.000 0.829 180 Q CB -0.603 28.129 28.738 -0.010 0.000 0.900 180 Q HN 0.437 nan 8.270 nan 0.000 0.450 181 S N 0.604 116.280 115.700 -0.040 0.000 2.652 181 S HA 0.123 4.593 4.470 -0.000 0.000 0.270 181 S C 0.994 175.537 174.600 -0.094 0.000 1.243 181 S CA -0.139 58.031 58.200 -0.051 0.000 0.999 181 S CB 1.401 64.579 63.200 -0.036 0.000 0.973 181 S HN 0.321 nan 8.310 nan 0.000 0.544 182 T N 0.555 115.039 114.554 -0.116 0.000 3.118 182 T HA 0.005 4.355 4.350 -0.000 0.000 0.260 182 T C 0.970 175.499 174.700 -0.285 0.000 1.139 182 T CA 0.720 62.688 62.100 -0.220 0.000 1.085 182 T CB -0.227 68.526 68.868 -0.191 0.000 0.934 182 T HN 0.428 nan 8.240 nan 0.000 0.518 183 E N 1.088 121.199 120.200 -0.148 0.000 2.318 183 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 183 E C 1.750 178.316 176.600 -0.057 0.000 0.998 183 E CA 0.483 56.827 56.400 -0.092 0.000 0.859 183 E CB -0.091 29.587 29.700 -0.035 0.000 0.812 183 E HN 0.701 nan 8.360 nan 0.000 0.492 184 E N 0.698 120.868 120.200 -0.051 0.000 2.511 184 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 184 E C 1.774 178.418 176.600 0.074 0.000 1.066 184 E CA -0.044 56.372 56.400 0.027 0.000 0.871 184 E CB -0.056 29.667 29.700 0.039 0.000 0.863 184 E HN 0.172 nan 8.360 nan 0.000 0.520 185 L N 0.550 121.736 121.223 -0.062 0.000 2.141 185 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 185 L C 2.546 179.487 176.870 0.117 0.000 1.094 185 L CA 0.850 55.663 54.840 -0.045 0.000 0.763 185 L CB -0.386 41.470 42.059 -0.338 0.000 0.908 185 L HN 0.166 nan 8.230 nan 0.000 0.437 186 A N 0.250 123.139 122.820 0.115 0.000 1.986 186 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 186 A C 2.107 179.745 177.584 0.089 0.000 1.171 186 A CA 1.813 53.921 52.037 0.117 0.000 0.640 186 A CB -0.988 18.066 19.000 0.089 0.000 0.811 186 A HN 0.455 nan 8.150 nan 0.000 0.451 187 G N -1.948 106.920 108.800 0.112 0.000 3.371 187 G HA2 0.408 4.368 3.960 -0.000 0.000 0.248 187 G HA3 0.408 4.368 3.960 -0.000 0.000 0.248 187 G C -0.017 174.847 174.900 -0.060 0.000 1.161 187 G CA -0.169 44.948 45.100 0.028 0.000 0.796 187 G HN 0.594 nan 8.290 nan 0.000 0.539 188 H N -0.775 118.332 119.070 0.063 0.000 2.731 188 H HA 0.432 4.988 4.556 -0.000 0.000 0.368 188 H C -0.348 175.054 175.328 0.124 0.000 1.168 188 H CA -0.662 55.461 56.048 0.125 0.000 1.181 188 H CB 1.223 31.094 29.762 0.182 0.000 1.743 188 H HN -0.123 nan 8.280 nan 0.000 0.547 189 Q N 1.172 121.151 119.800 0.298 0.000 2.281 189 Q HA 0.186 4.526 4.340 -0.000 0.000 0.267 189 Q C -0.680 175.420 176.000 0.167 0.000 1.053 189 Q CA 0.121 56.038 55.803 0.191 0.000 0.905 189 Q CB 0.398 29.234 28.738 0.163 0.000 1.195 189 Q HN 0.491 nan 8.270 nan 0.000 0.398 190 C N 4.767 124.173 119.300 0.177 0.000 2.291 190 C HA 0.373 4.833 4.460 -0.000 0.000 0.322 190 C C -0.164 174.986 174.990 0.267 0.000 1.205 190 C CA -1.061 58.078 59.018 0.201 0.000 1.495 190 C CB -0.236 27.505 27.740 0.002 0.000 2.127 190 C HN 0.554 nan 8.230 nan 0.000 0.452 191 L N 3.578 124.971 121.223 0.283 0.000 2.331 191 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 191 L C 0.882 177.911 176.870 0.265 0.000 1.106 191 L CA 0.880 55.846 54.840 0.210 0.000 0.824 191 L CB 0.192 42.279 42.059 0.045 0.000 1.142 191 L HN 0.870 nan 8.230 nan 0.000 0.443 192 G N 1.798 110.712 108.800 0.191 0.000 3.105 192 G HA2 0.608 4.568 3.960 -0.000 0.000 0.277 192 G HA3 0.608 4.568 3.960 -0.000 0.000 0.277 192 G C -1.149 173.759 174.900 0.013 0.000 1.375 192 G CA -0.536 44.690 45.100 0.210 0.000 0.962 192 G HN 0.194 nan 8.290 nan 0.000 0.541 193 F N -0.149 119.874 119.950 0.122 0.000 2.370 193 F HA 0.317 4.844 4.527 -0.000 0.000 0.324 193 F C 2.280 178.116 175.800 0.059 0.000 1.116 193 F CA 0.344 58.387 58.000 0.073 0.000 1.123 193 F CB 1.809 40.843 39.000 0.057 0.000 1.238 193 F HN 0.489 nan 8.300 nan 0.000 0.536 194 T N -2.541 112.161 114.554 0.247 0.000 3.035 194 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 194 T C 0.326 175.098 174.700 0.121 0.000 1.109 194 T CA 0.365 62.549 62.100 0.140 0.000 1.119 194 T CB -0.579 68.352 68.868 0.105 0.000 0.900 194 T HN 0.489 nan 8.240 nan 0.000 0.503 195 E N 2.969 123.256 120.200 0.145 0.000 2.290 195 E HA 0.272 4.622 4.350 -0.000 0.000 0.277 195 E C -2.667 173.973 176.600 0.065 0.000 1.035 195 E CA -2.287 54.160 56.400 0.079 0.000 0.873 195 E CB 0.513 30.238 29.700 0.042 0.000 1.029 195 E HN 0.220 nan 8.360 nan 0.000 0.419 196 P HA -0.024 nan 4.420 nan 0.000 0.254 196 P C 0.568 177.878 177.300 0.016 0.000 1.186 196 P CA 0.817 63.932 63.100 0.026 0.000 0.868 196 P CB 0.194 31.902 31.700 0.013 0.000 0.856 197 G N 2.657 111.470 108.800 0.022 0.000 2.155 197 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 197 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 197 G C 1.220 176.120 174.900 0.000 0.000 0.983 197 G CA 0.619 45.723 45.100 0.006 0.000 0.676 197 G HN 0.442 nan 8.290 nan 0.000 0.528 198 S N -0.517 115.184 115.700 0.001 0.000 2.341 198 S HA 0.190 4.660 4.470 -0.000 0.000 0.204 198 S C 1.948 176.513 174.600 -0.059 0.000 1.038 198 S CA 1.101 59.276 58.200 -0.042 0.000 1.013 198 S CB -0.199 62.958 63.200 -0.072 0.000 0.994 198 S HN 0.302 nan 8.310 nan 0.000 0.430 199 L N 1.800 122.972 121.223 -0.085 0.000 2.607 199 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 199 L C 1.070 178.045 176.870 0.176 0.000 1.123 199 L CA 0.026 54.830 54.840 -0.060 0.000 0.890 199 L CB -0.256 41.638 42.059 -0.276 0.000 1.103 199 L HN 0.213 nan 8.230 nan 0.000 0.468 200 N N -0.045 118.792 118.700 0.229 0.000 2.443 200 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 200 N C 0.759 176.420 175.510 0.252 0.000 1.037 200 N CA 0.849 54.093 53.050 0.323 0.000 0.896 200 N CB -0.230 38.364 38.487 0.178 0.000 0.959 200 N HN 0.285 nan 8.380 nan 0.000 0.442 201 T N -0.676 113.956 114.554 0.131 0.000 2.978 201 T HA 0.117 4.467 4.350 -0.000 0.000 0.278 201 T C 0.105 174.896 174.700 0.153 0.000 0.945 201 T CA -0.747 61.392 62.100 0.064 0.000 1.070 201 T CB -0.512 68.349 68.868 -0.010 0.000 0.948 201 T HN 0.001 nan 8.240 nan 0.000 0.617 202 W N 2.045 123.281 121.300 -0.106 0.000 2.137 202 W HA 0.464 5.124 4.660 -0.000 0.000 0.344 202 W C 0.808 177.230 176.519 -0.162 0.000 1.286 202 W CA -1.464 55.812 57.345 -0.115 0.000 1.240 202 W CB 0.143 29.633 29.460 0.050 0.000 1.141 202 W HN 0.714 nan 8.180 nan 0.000 0.579 203 A N 2.745 125.492 122.820 -0.122 0.000 3.202 203 A HA 0.433 4.753 4.320 -0.000 0.000 0.258 203 A C -0.877 176.725 177.584 0.029 0.000 1.572 203 A CA -0.307 51.643 52.037 -0.144 0.000 1.241 203 A CB -0.339 18.416 19.000 -0.408 0.000 1.127 203 A HN 0.419 nan 8.150 nan 0.000 0.648 204 V N 2.193 122.190 119.914 0.138 0.000 2.482 204 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 204 V C -0.716 175.443 176.094 0.108 0.000 1.026 204 V CA -0.821 61.560 62.300 0.135 0.000 0.856 204 V CB 1.367 33.302 31.823 0.186 0.000 1.001 204 V HN 0.479 nan 8.190 nan 0.000 0.424 205 L N 7.030 128.292 121.223 0.064 0.000 2.433 205 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 205 L C 0.570 177.458 176.870 0.030 0.000 1.128 205 L CA -0.370 54.499 54.840 0.050 0.000 0.875 205 L CB 0.289 42.370 42.059 0.037 0.000 1.171 205 L HN 0.825 nan 8.230 nan 0.000 0.463 206 D N 2.782 123.209 120.400 0.045 0.000 2.346 206 D HA 0.043 4.683 4.640 -0.000 0.000 0.249 206 D C 1.169 177.475 176.300 0.011 0.000 1.308 206 D CA 0.007 54.021 54.000 0.023 0.000 0.987 206 D CB 0.624 41.469 40.800 0.075 0.000 1.114 206 D HN 0.435 nan 8.370 nan 0.000 0.529 207 A N -1.053 121.769 122.820 0.004 0.000 2.125 207 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 207 A C 1.920 179.510 177.584 0.011 0.000 1.156 207 A CA 1.332 53.371 52.037 0.004 0.000 0.671 207 A CB -0.677 18.323 19.000 0.001 0.000 0.794 207 A HN 0.583 nan 8.150 nan 0.000 0.459 208 Q N -2.029 117.781 119.800 0.017 0.000 2.396 208 Q HA 0.305 4.645 4.340 -0.000 0.000 0.209 208 Q C 0.826 176.837 176.000 0.018 0.000 0.906 208 Q CA 0.364 56.177 55.803 0.017 0.000 0.927 208 Q CB 0.443 29.192 28.738 0.018 0.000 1.069 208 Q HN 0.838 nan 8.270 nan 0.000 0.523 209 G N 1.607 110.421 108.800 0.022 0.000 2.288 209 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.205 209 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.205 209 G C -0.666 174.250 174.900 0.027 0.000 1.071 209 G CA -0.446 44.668 45.100 0.024 0.000 0.788 209 G HN 0.134 nan 8.290 nan 0.000 0.491 210 N N 0.058 118.779 118.700 0.036 0.000 2.405 210 N HA 0.615 5.355 4.740 -0.000 0.000 0.285 210 N C -2.961 172.583 175.510 0.056 0.000 1.262 210 N CA -1.445 51.627 53.050 0.036 0.000 0.773 210 N CB 2.872 41.377 38.487 0.030 0.000 1.490 210 N HN 0.042 nan 8.380 nan 0.000 0.486 211 P HA 0.023 nan 4.420 nan 0.000 0.271 211 P C -0.681 176.679 177.300 0.100 0.000 1.226 211 P CA 0.024 63.163 63.100 0.065 0.000 0.765 211 P CB 0.008 31.718 31.700 0.017 0.000 0.835 212 Y N 4.697 125.001 120.300 0.008 0.000 2.544 212 Y HA 0.076 4.626 4.550 -0.000 0.000 0.330 212 Y C 0.399 176.249 175.900 -0.083 0.000 1.136 212 Y CA 0.132 58.208 58.100 -0.040 0.000 1.417 212 Y CB 0.440 38.872 38.460 -0.045 0.000 1.229 212 Y HN 0.240 nan 8.280 nan 0.000 0.532 213 K N 7.152 127.202 120.400 -0.584 0.000 2.211 213 K HA 0.387 4.707 4.320 -0.000 0.000 0.275 213 K C -1.330 174.729 176.600 -0.902 0.000 1.024 213 K CA -0.864 55.099 56.287 -0.540 0.000 0.887 213 K CB 1.522 33.850 32.500 -0.287 0.000 1.084 213 K HN 0.511 nan 8.250 nan 0.000 0.463 214 I N 1.713 121.838 120.570 -0.741 0.000 2.404 214 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 214 I C -0.520 175.396 176.117 -0.335 0.000 0.992 214 I CA -0.401 60.455 61.300 -0.740 0.000 1.149 214 I CB 1.837 39.243 38.000 -0.990 0.000 1.315 214 I HN 0.449 nan 8.210 nan 0.000 0.446 215 S N 9.236 124.786 115.700 -0.250 0.000 2.494 215 S HA 0.333 4.803 4.470 -0.000 0.000 0.312 215 S C -2.335 172.239 174.600 -0.044 0.000 1.121 215 S CA -0.805 57.327 58.200 -0.112 0.000 1.068 215 S CB -0.252 62.897 63.200 -0.084 0.000 1.141 215 S HN 0.432 nan 8.310 nan 0.000 0.527 216 P HA 0.234 nan 4.420 nan 0.000 0.287 216 P C 0.192 177.552 177.300 0.099 0.000 1.281 216 P CA -0.335 62.810 63.100 0.075 0.000 0.781 216 P CB 1.082 32.840 31.700 0.097 0.000 0.903 217 H N 4.161 123.247 119.070 0.025 0.000 2.276 217 H HA 0.145 4.701 4.556 -0.000 0.000 0.307 217 H C -0.134 175.106 175.328 -0.147 0.000 1.061 217 H CA 0.874 56.886 56.048 -0.060 0.000 1.336 217 H CB -0.612 29.134 29.762 -0.026 0.000 1.396 217 H HN 0.259 nan 8.280 nan 0.000 0.503 218 F N 0.906 120.776 119.950 -0.133 0.000 2.384 218 F HA 0.292 4.819 4.527 -0.000 0.000 0.338 218 F C 0.397 176.152 175.800 -0.075 0.000 1.103 218 F CA 0.074 57.973 58.000 -0.168 0.000 1.157 218 F CB 1.320 40.245 39.000 -0.125 0.000 1.167 218 F HN 0.114 nan 8.300 nan 0.000 0.529 219 T N 0.769 115.372 114.554 0.082 0.000 3.009 219 T HA 0.757 5.107 4.350 -0.000 0.000 0.346 219 T C -0.560 174.161 174.700 0.035 0.000 1.092 219 T CA -0.847 61.285 62.100 0.052 0.000 1.080 219 T CB 0.837 69.727 68.868 0.036 0.000 1.037 219 T HN 0.739 nan 8.240 nan 0.000 0.487 220 A N 2.256 125.065 122.820 -0.017 0.000 2.306 220 A HA 0.682 5.002 4.320 -0.000 0.000 0.314 220 A C 1.205 178.773 177.584 -0.026 0.000 1.164 220 A CA -0.508 51.505 52.037 -0.040 0.000 0.822 220 A CB 0.838 19.777 19.000 -0.103 0.000 1.130 220 A HN 1.167 nan 8.150 nan 0.000 0.496 221 S N 0.832 116.555 115.700 0.038 0.000 2.631 221 S HA 0.231 4.701 4.470 -0.000 0.000 0.217 221 S C 0.564 175.259 174.600 0.157 0.000 0.958 221 S CA 0.543 58.814 58.200 0.118 0.000 0.920 221 S CB -0.338 62.914 63.200 0.088 0.000 0.776 221 S HN 1.132 nan 8.310 nan 0.000 0.517 222 S N -1.188 114.557 115.700 0.075 0.000 2.549 222 S HA 0.650 5.120 4.470 -0.000 0.000 0.280 222 S C 1.006 175.601 174.600 -0.008 0.000 1.109 222 S CA -0.132 58.134 58.200 0.110 0.000 0.905 222 S CB 1.206 64.445 63.200 0.065 0.000 1.081 222 S HN 0.251 nan 8.310 nan 0.000 0.477 223 G N 1.762 110.633 108.800 0.118 0.000 2.408 223 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 223 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 223 G C 1.044 175.891 174.900 -0.089 0.000 1.150 223 G CA 1.097 46.198 45.100 0.003 0.000 0.776 223 G HN 0.734 nan 8.290 nan 0.000 0.542 224 E N 0.282 120.459 120.200 -0.040 0.000 2.204 224 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 224 E C 2.372 178.939 176.600 -0.054 0.000 0.989 224 E CA 0.422 56.792 56.400 -0.049 0.000 0.824 224 E CB -0.155 29.552 29.700 0.011 0.000 0.756 224 E HN 0.329 nan 8.360 nan 0.000 0.477 225 I N 0.333 120.867 120.570 -0.060 0.000 2.233 225 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 225 I C 2.232 178.278 176.117 -0.118 0.000 1.093 225 I CA 0.881 62.138 61.300 -0.071 0.000 1.380 225 I CB -1.035 36.932 38.000 -0.055 0.000 1.067 225 I HN 0.221 nan 8.210 nan 0.000 0.413 226 L N 0.264 121.382 121.223 -0.174 0.000 2.127 226 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 226 L C 2.789 179.552 176.870 -0.178 0.000 1.089 226 L CA 1.213 55.924 54.840 -0.215 0.000 0.757 226 L CB -0.580 41.276 42.059 -0.338 0.000 0.899 226 L HN 0.251 nan 8.230 nan 0.000 0.434 227 R N 0.366 120.774 120.500 -0.153 0.000 2.070 227 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 227 R C 2.467 178.707 176.300 -0.100 0.000 1.138 227 R CA 2.002 58.027 56.100 -0.125 0.000 0.936 227 R CB -0.202 30.031 30.300 -0.112 0.000 0.839 227 R HN 0.428 nan 8.270 nan 0.000 0.429 228 S N 0.053 115.703 115.700 -0.083 0.000 2.515 228 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 228 S C 1.970 176.511 174.600 -0.099 0.000 0.987 228 S CA 0.449 58.607 58.200 -0.069 0.000 0.936 228 S CB -0.181 62.993 63.200 -0.044 0.000 0.766 228 S HN 0.268 nan 8.310 nan 0.000 0.528 229 L N 0.805 121.945 121.223 -0.138 0.000 2.007 229 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 229 L C 3.011 179.759 176.870 -0.203 0.000 1.073 229 L CA 1.431 56.149 54.840 -0.203 0.000 0.744 229 L CB -0.750 41.155 42.059 -0.258 0.000 0.898 229 L HN 0.570 nan 8.230 nan 0.000 0.435 230 C N 0.029 119.219 119.300 -0.183 0.000 2.432 230 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 230 C C 2.775 177.697 174.990 -0.114 0.000 1.249 230 C CA 0.767 59.681 59.018 -0.173 0.000 1.725 230 C CB -0.809 26.839 27.740 -0.153 0.000 2.028 230 C HN 0.538 nan 8.230 nan 0.000 0.477 231 L N 1.051 122.223 121.223 -0.085 0.000 2.129 231 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 231 L C 1.679 178.528 176.870 -0.034 0.000 1.087 231 L CA 1.967 56.779 54.840 -0.048 0.000 0.757 231 L CB -0.181 41.855 42.059 -0.038 0.000 0.896 231 L HN 0.389 nan 8.230 nan 0.000 0.434 232 S N 0.335 116.004 115.700 -0.053 0.000 2.506 232 S HA 0.363 4.833 4.470 -0.000 0.000 0.245 232 S C 0.528 175.106 174.600 -0.037 0.000 1.088 232 S CA 0.184 58.363 58.200 -0.036 0.000 1.099 232 S CB 0.251 63.426 63.200 -0.041 0.000 0.805 232 S HN 0.629 nan 8.310 nan 0.000 0.461 233 G N 0.376 109.159 108.800 -0.029 0.000 2.354 233 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.278 233 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.278 233 G C 0.318 175.181 174.900 -0.062 0.000 0.953 233 G CA 0.180 45.290 45.100 0.016 0.000 1.346 233 G HN 0.635 nan 8.290 nan 0.000 0.467 234 C N 0.298 119.460 119.300 -0.230 0.000 3.559 234 C HA 0.762 5.222 4.460 -0.000 0.000 0.314 234 C C 1.468 176.226 174.990 -0.386 0.000 1.419 234 C CA 0.351 59.158 59.018 -0.351 0.000 1.775 234 C CB -0.315 27.081 27.740 -0.573 0.000 2.430 234 C HN 2.116 nan 8.230 nan 0.000 0.686 235 G N 1.422 109.879 108.800 -0.572 0.000 2.317 235 G HA2 0.222 4.182 3.960 -0.000 0.000 0.445 235 G HA3 0.222 4.182 3.960 -0.000 0.000 0.445 235 G C -0.832 173.788 174.900 -0.466 0.000 1.486 235 G CA -0.497 44.224 45.100 -0.632 0.000 0.991 235 G HN 0.592 nan 8.290 nan 0.000 0.660 236 I N -1.116 119.277 120.570 -0.295 0.000 2.575 236 I HA 0.790 4.960 4.170 -0.000 0.000 0.285 236 I C -0.079 176.121 176.117 0.139 0.000 1.085 236 I CA -0.912 60.370 61.300 -0.031 0.000 1.403 236 I CB 1.422 39.503 38.000 0.134 0.000 1.409 236 I HN 0.630 nan 8.210 nan 0.000 0.557 237 V N 6.349 126.261 119.914 -0.003 0.000 2.925 237 V HA 0.414 4.534 4.120 -0.000 0.000 0.311 237 V C -1.068 174.758 176.094 -0.446 0.000 1.104 237 V CA -0.568 61.641 62.300 -0.153 0.000 0.954 237 V CB 2.031 33.757 31.823 -0.162 0.000 1.022 237 V HN 1.051 nan 8.190 nan 0.000 0.427 238 C N 7.476 126.259 119.300 -0.862 0.000 2.271 238 C HA 0.808 5.268 4.460 -0.000 0.000 0.323 238 C C -0.477 174.332 174.990 -0.301 0.000 1.245 238 C CA -0.490 58.052 59.018 -0.794 0.000 1.548 238 C CB -1.367 25.424 27.740 -1.582 0.000 2.214 238 C HN 0.812 nan 8.230 nan 0.000 0.477 239 L N 4.466 125.624 121.223 -0.109 0.000 2.301 239 L HA 0.631 4.971 4.340 -0.000 0.000 0.249 239 L C 0.375 177.206 176.870 -0.066 0.000 1.069 239 L CA -0.581 54.248 54.840 -0.019 0.000 0.865 239 L CB 1.869 43.848 42.059 -0.133 0.000 1.467 239 L HN 0.602 nan 8.230 nan 0.000 0.419 240 S N -1.168 114.414 115.700 -0.197 0.000 2.579 240 S HA 0.027 4.497 4.470 -0.000 0.000 0.275 240 S C 0.494 174.911 174.600 -0.305 0.000 1.345 240 S CA -0.165 57.861 58.200 -0.291 0.000 1.031 240 S CB 0.877 63.970 63.200 -0.179 0.000 0.892 240 S HN 0.762 nan 8.310 nan 0.000 0.529 241 D N 1.863 122.170 120.400 -0.155 0.000 2.144 241 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 241 D C 1.641 177.869 176.300 -0.119 0.000 0.978 241 D CA 1.280 55.225 54.000 -0.091 0.000 0.833 241 D CB -0.742 40.061 40.800 0.005 0.000 0.961 241 D HN 0.699 nan 8.370 nan 0.000 0.470 242 F N 0.607 120.488 119.950 -0.116 0.000 2.216 242 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 242 F C 2.083 177.799 175.800 -0.139 0.000 1.085 242 F CA 0.285 58.196 58.000 -0.148 0.000 1.326 242 F CB -0.677 38.174 39.000 -0.248 0.000 1.027 242 F HN -0.026 nan 8.300 nan 0.000 0.497 243 L N 0.782 121.339 121.223 -1.111 0.000 2.083 243 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 243 L C 1.519 178.136 176.870 -0.422 0.000 1.083 243 L CA 1.533 55.799 54.840 -0.956 0.000 0.752 243 L CB -0.325 41.182 42.059 -0.919 0.000 0.899 243 L HN 0.177 nan 8.230 nan 0.000 0.433 244 V N -2.402 117.361 119.914 -0.251 0.000 3.382 244 V HA 0.119 4.239 4.120 -0.000 0.000 0.296 244 V C 1.357 177.423 176.094 -0.047 0.000 1.529 244 V CA 0.179 62.415 62.300 -0.107 0.000 1.048 244 V CB 0.489 32.239 31.823 -0.122 0.000 0.878 244 V HN 0.139 nan 8.190 nan 0.000 0.442 245 D N 1.786 122.161 120.400 -0.041 0.000 2.190 245 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 245 D C 1.924 178.226 176.300 0.004 0.000 0.992 245 D CA 1.388 55.382 54.000 -0.011 0.000 0.854 245 D CB -0.006 40.795 40.800 0.001 0.000 0.936 245 D HN 0.418 nan 8.370 nan 0.000 0.462 246 N N 0.673 119.384 118.700 0.020 0.000 2.142 246 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 246 N C 1.239 176.756 175.510 0.012 0.000 1.023 246 N CA 0.892 53.954 53.050 0.020 0.000 0.852 246 N CB -0.288 38.220 38.487 0.035 0.000 0.998 246 N HN 0.222 nan 8.380 nan 0.000 0.424 247 D N 1.567 121.976 120.400 0.015 0.000 2.097 247 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 247 D C 2.139 178.441 176.300 0.003 0.000 0.984 247 D CA 0.599 54.604 54.000 0.008 0.000 0.826 247 D CB -0.347 40.457 40.800 0.006 0.000 0.973 247 D HN 0.448 nan 8.370 nan 0.000 0.460 248 I N -1.511 119.059 120.570 -0.000 0.000 2.454 248 I HA -0.101 4.069 4.170 -0.000 0.000 0.254 248 I C 2.110 178.230 176.117 0.005 0.000 1.156 248 I CA 1.137 62.438 61.300 0.002 0.000 1.433 248 I CB -0.397 37.603 38.000 0.000 0.000 1.082 248 I HN -0.144 nan 8.210 nan 0.000 0.432 249 A N 1.754 124.576 122.820 0.004 0.000 1.897 249 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 249 A C 2.211 179.797 177.584 0.003 0.000 1.181 249 A CA 1.588 53.627 52.037 0.003 0.000 0.620 249 A CB -0.624 18.378 19.000 0.002 0.000 0.821 249 A HN 0.559 nan 8.150 nan 0.000 0.443 250 E N -1.599 118.603 120.200 0.002 0.000 2.204 250 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 250 E C 1.218 177.820 176.600 0.004 0.000 0.989 250 E CA 0.572 56.973 56.400 0.001 0.000 0.824 250 E CB -0.166 29.534 29.700 0.000 0.000 0.756 250 E HN 0.797 nan 8.360 nan 0.000 0.477 251 G N 0.862 109.666 108.800 0.006 0.000 2.144 251 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 251 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 251 G C 0.699 175.606 174.900 0.011 0.000 0.988 251 G CA 0.342 45.447 45.100 0.009 0.000 0.659 251 G HN 0.190 nan 8.290 nan 0.000 0.522 252 K N -0.777 119.629 120.400 0.009 0.000 2.379 252 K HA 0.470 4.790 4.320 -0.000 0.000 0.194 252 K C 0.780 177.388 176.600 0.013 0.000 1.031 252 K CA 0.410 56.703 56.287 0.011 0.000 1.037 252 K CB 0.471 32.975 32.500 0.006 0.000 0.824 252 K HN 0.408 nan 8.250 nan 0.000 0.516 253 L N 0.820 122.050 121.223 0.011 0.000 2.393 253 L HA 0.508 4.848 4.340 -0.000 0.000 0.260 253 L C -0.911 175.970 176.870 0.017 0.000 1.002 253 L CA -0.952 53.895 54.840 0.011 0.000 0.818 253 L CB 2.361 44.417 42.059 -0.006 0.000 1.369 253 L HN -0.104 nan 8.230 nan 0.000 0.412 254 I N 3.280 123.866 120.570 0.026 0.000 2.433 254 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 254 I C -2.303 173.831 176.117 0.028 0.000 1.001 254 I CA -1.984 59.335 61.300 0.032 0.000 1.119 254 I CB 2.344 40.374 38.000 0.050 0.000 1.289 254 I HN 0.257 nan 8.210 nan 0.000 0.438 255 P HA 0.294 nan 4.420 nan 0.000 0.279 255 P C -1.195 176.124 177.300 0.030 0.000 1.239 255 P CA -0.354 62.760 63.100 0.023 0.000 0.789 255 P CB 1.210 32.922 31.700 0.021 0.000 0.933 256 L N 4.683 125.927 121.223 0.036 0.000 2.365 256 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 256 L C 0.054 176.946 176.870 0.036 0.000 1.000 256 L CA -0.648 54.214 54.840 0.036 0.000 0.819 256 L CB 1.013 43.104 42.059 0.052 0.000 1.284 256 L HN 0.138 nan 8.230 nan 0.000 0.418 257 L N 2.547 123.781 121.223 0.019 0.000 3.755 257 L HA -0.262 4.078 4.340 -0.000 0.000 0.587 257 L C 1.366 178.252 176.870 0.028 0.000 1.235 257 L CA 1.145 55.994 54.840 0.015 0.000 0.876 257 L CB -1.422 40.641 42.059 0.007 0.000 1.431 257 L HN 0.876 nan 8.230 nan 0.000 0.840 258 A N 0.404 123.239 122.820 0.025 0.000 1.902 258 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 258 A C 2.068 179.672 177.584 0.032 0.000 1.181 258 A CA 1.763 53.819 52.037 0.031 0.000 0.623 258 A CB -0.084 18.932 19.000 0.026 0.000 0.818 258 A HN 0.661 nan 8.150 nan 0.000 0.443 259 E N -0.478 119.737 120.200 0.025 0.000 2.112 259 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 259 E C 1.966 178.581 176.600 0.025 0.000 0.979 259 E CA 1.180 57.594 56.400 0.024 0.000 0.814 259 E CB -0.117 29.593 29.700 0.017 0.000 0.762 259 E HN 0.624 nan 8.360 nan 0.000 0.460 260 Q N -0.570 119.242 119.800 0.020 0.000 2.451 260 Q HA 0.141 4.481 4.340 -0.000 0.000 0.206 260 Q C -0.151 175.871 176.000 0.037 0.000 0.947 260 Q CA 0.502 56.316 55.803 0.018 0.000 0.937 260 Q CB 0.685 29.420 28.738 -0.005 0.000 1.025 260 Q HN 0.016 nan 8.270 nan 0.000 0.511 261 T N 0.026 114.610 114.554 0.051 0.000 2.889 261 T HA 0.248 4.598 4.350 -0.000 0.000 0.291 261 T C 0.091 174.837 174.700 0.076 0.000 0.995 261 T CA -0.395 61.750 62.100 0.074 0.000 1.092 261 T CB 1.446 70.365 68.868 0.085 0.000 0.954 261 T HN 0.051 nan 8.240 nan 0.000 0.506 262 S N 0.752 116.504 115.700 0.087 0.000 2.584 262 S HA 0.067 4.537 4.470 -0.000 0.000 0.270 262 S C 0.608 175.276 174.600 0.112 0.000 1.346 262 S CA -0.509 57.744 58.200 0.089 0.000 1.018 262 S CB 0.277 63.526 63.200 0.082 0.000 0.899 262 S HN 0.658 nan 8.310 nan 0.000 0.542 263 D N 1.391 121.850 120.400 0.099 0.000 2.423 263 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 263 D C -0.061 176.307 176.300 0.113 0.000 1.068 263 D CA 0.265 54.324 54.000 0.099 0.000 0.860 263 D CB 0.218 41.062 40.800 0.073 0.000 0.992 263 D HN 0.459 nan 8.370 nan 0.000 0.504 264 K N 1.315 121.785 120.400 0.117 0.000 2.355 264 K HA 0.170 4.490 4.320 -0.000 0.000 0.270 264 K C 0.464 177.169 176.600 0.174 0.000 1.003 264 K CA 0.242 56.600 56.287 0.119 0.000 0.957 264 K CB 0.656 33.215 32.500 0.098 0.000 0.939 264 K HN -0.007 nan 8.250 nan 0.000 0.482 265 T N -0.613 114.033 114.554 0.154 0.000 2.794 265 T HA 0.136 4.486 4.350 -0.000 0.000 0.280 265 T C -0.542 174.285 174.700 0.212 0.000 0.987 265 T CA -0.913 61.296 62.100 0.180 0.000 0.993 265 T CB 1.020 69.978 68.868 0.151 0.000 0.939 265 T HN 0.519 nan 8.240 nan 0.000 0.449 266 H N 5.052 124.186 119.070 0.106 0.000 2.742 266 H HA 0.398 4.954 4.556 -0.000 0.000 0.302 266 H C -2.391 172.988 175.328 0.085 0.000 1.069 266 H CA -1.860 54.224 56.048 0.061 0.000 1.446 266 H CB 0.918 30.656 29.762 -0.041 0.000 1.462 266 H HN 0.425 nan 8.280 nan 0.000 0.499 267 P HA 0.120 nan 4.420 nan 0.000 0.286 267 P C -1.021 175.950 177.300 -0.549 0.000 1.269 267 P CA -0.080 62.893 63.100 -0.211 0.000 0.787 267 P CB 0.571 32.256 31.700 -0.025 0.000 0.920 268 F N 3.308 122.814 119.950 -0.739 0.000 2.422 268 F HA 0.395 4.922 4.527 -0.000 0.000 0.333 268 F C 0.943 176.349 175.800 -0.657 0.000 1.095 268 F CA -0.125 57.418 58.000 -0.761 0.000 1.038 268 F CB 1.542 39.825 39.000 -1.196 0.000 1.156 268 F HN 0.356 nan 8.300 nan 0.000 0.483 269 N N 0.963 119.525 118.700 -0.231 0.000 2.396 269 N HA 0.645 5.385 4.740 -0.000 0.000 0.275 269 N C -1.710 173.794 175.510 -0.009 0.000 1.218 269 N CA -1.103 51.868 53.050 -0.131 0.000 0.812 269 N CB 1.675 40.126 38.487 -0.061 0.000 1.592 269 N HN 0.572 nan 8.380 nan 0.000 0.480 270 A N 0.707 123.554 122.820 0.045 0.000 2.391 270 A HA 0.552 4.872 4.320 -0.000 0.000 0.316 270 A C 0.127 177.850 177.584 0.232 0.000 1.381 270 A CA -0.669 51.438 52.037 0.118 0.000 0.998 270 A CB -0.727 18.329 19.000 0.092 0.000 1.147 270 A HN 0.858 nan 8.150 nan 0.000 0.545 271 V N 1.738 121.789 119.914 0.229 0.000 2.617 271 V HA 0.935 5.055 4.120 -0.000 0.000 0.298 271 V C -0.536 175.756 176.094 0.330 0.000 1.048 271 V CA -0.559 61.887 62.300 0.244 0.000 0.964 271 V CB 0.367 32.266 31.823 0.125 0.000 1.004 271 V HN 1.176 nan 8.190 nan 0.000 0.466 272 Y N 1.770 122.070 120.300 -0.001 0.000 2.818 272 Y HA 0.669 5.219 4.550 -0.000 0.000 0.341 272 Y C -1.354 174.525 175.900 -0.036 0.000 1.283 272 Y CA -2.273 55.828 58.100 0.002 0.000 1.075 272 Y CB 0.465 38.964 38.460 0.065 0.000 1.370 272 Y HN 0.590 nan 8.280 nan 0.000 0.448 273 Y N 1.817 122.121 120.300 0.007 0.000 2.397 273 Y HA 0.245 4.795 4.550 -0.000 0.000 0.335 273 Y C 1.892 177.653 175.900 -0.231 0.000 1.213 273 Y CA 1.279 59.323 58.100 -0.093 0.000 1.391 273 Y CB 1.361 39.833 38.460 0.021 0.000 1.293 273 Y HN 0.788 nan 8.280 nan 0.000 0.557 274 S N -0.255 115.457 115.700 0.019 0.000 2.383 274 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 274 S C 1.164 175.808 174.600 0.074 0.000 1.026 274 S CA 1.504 59.684 58.200 -0.033 0.000 0.981 274 S CB -0.184 63.004 63.200 -0.020 0.000 0.818 274 S HN 0.737 nan 8.310 nan 0.000 0.472 275 D N 1.465 121.927 120.400 0.103 0.000 2.269 275 D HA 0.045 4.685 4.640 -0.000 0.000 0.208 275 D C 1.662 178.011 176.300 0.082 0.000 0.963 275 D CA 0.861 54.894 54.000 0.055 0.000 0.864 275 D CB -0.160 40.626 40.800 -0.023 0.000 0.936 275 D HN 0.439 nan 8.370 nan 0.000 0.505 276 K N 0.174 120.670 120.400 0.159 0.000 2.444 276 K HA 0.210 4.530 4.320 -0.000 0.000 0.193 276 K C 1.558 178.309 176.600 0.252 0.000 1.024 276 K CA 0.029 56.429 56.287 0.189 0.000 1.077 276 K CB 0.239 32.890 32.500 0.251 0.000 0.833 276 K HN 0.013 nan 8.250 nan 0.000 0.517 277 A N 0.702 123.704 122.820 0.303 0.000 2.015 277 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 277 A C 1.906 179.587 177.584 0.161 0.000 1.163 277 A CA 1.348 53.581 52.037 0.327 0.000 0.646 277 A CB -0.470 18.731 19.000 0.335 0.000 0.806 277 A HN 0.246 nan 8.150 nan 0.000 0.448 278 V N -2.040 117.943 119.914 0.116 0.000 3.383 278 V HA -0.030 4.090 4.120 -0.000 0.000 0.272 278 V C -0.102 176.025 176.094 0.056 0.000 1.181 278 V CA 0.576 62.919 62.300 0.073 0.000 1.171 278 V CB -1.471 30.385 31.823 0.054 0.000 0.800 278 V HN 0.407 nan 8.190 nan 0.000 0.515 279 N N 1.552 120.288 118.700 0.060 0.000 2.401 279 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 279 N C 0.491 176.014 175.510 0.022 0.000 1.110 279 N CA -0.196 52.875 53.050 0.035 0.000 0.949 279 N CB 1.284 39.790 38.487 0.032 0.000 1.110 279 N HN 0.312 nan 8.380 nan 0.000 0.490 280 L N 3.451 124.683 121.223 0.014 0.000 2.079 280 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 280 L C 1.768 178.625 176.870 -0.023 0.000 1.081 280 L CA 1.825 56.666 54.840 0.001 0.000 0.752 280 L CB -0.034 42.026 42.059 0.002 0.000 0.896 280 L HN 0.430 nan 8.230 nan 0.000 0.433 281 R N -0.782 119.706 120.500 -0.020 0.000 2.070 281 R HA -0.139 4.201 4.340 -0.000 0.000 0.233 281 R C 2.257 178.552 176.300 -0.007 0.000 1.137 281 R CA 1.851 57.935 56.100 -0.026 0.000 0.945 281 R CB -0.906 29.385 30.300 -0.015 0.000 0.845 281 R HN 0.382 nan 8.270 nan 0.000 0.430 282 L N 0.410 121.623 121.223 -0.016 0.000 2.141 282 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 282 L C 2.520 179.381 176.870 -0.015 0.000 1.094 282 L CA 1.318 56.138 54.840 -0.033 0.000 0.763 282 L CB -0.086 41.932 42.059 -0.068 0.000 0.908 282 L HN 0.122 nan 8.230 nan 0.000 0.437 283 R N -1.122 119.372 120.500 -0.010 0.000 2.075 283 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 283 R C 2.149 178.463 176.300 0.024 0.000 1.126 283 R CA 1.581 57.681 56.100 -0.000 0.000 0.963 283 R CB -0.225 30.086 30.300 0.017 0.000 0.858 283 R HN 0.307 nan 8.270 nan 0.000 0.435 284 V N 0.470 120.389 119.914 0.009 0.000 3.041 284 V HA -0.138 3.982 4.120 -0.000 0.000 0.260 284 V C 1.455 177.645 176.094 0.159 0.000 1.105 284 V CA 1.149 63.444 62.300 -0.008 0.000 1.125 284 V CB -0.322 31.321 31.823 -0.300 0.000 0.730 284 V HN 0.309 nan 8.190 nan 0.000 0.479 285 F N -0.317 119.652 119.950 0.032 0.000 2.270 285 F HA 0.020 4.547 4.527 -0.000 0.000 0.295 285 F C 1.723 177.542 175.800 0.033 0.000 1.087 285 F CA 1.490 59.508 58.000 0.029 0.000 1.365 285 F CB 0.029 38.940 39.000 -0.149 0.000 1.056 285 F HN 0.142 nan 8.300 nan 0.000 0.506 286 L N 0.339 121.569 121.223 0.013 0.000 2.156 286 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 286 L C 1.883 178.728 176.870 -0.042 0.000 1.095 286 L CA 1.403 56.196 54.840 -0.079 0.000 0.770 286 L CB -0.957 41.063 42.059 -0.066 0.000 0.914 286 L HN 0.005 nan 8.230 nan 0.000 0.439 287 D N -0.962 119.452 120.400 0.024 0.000 2.117 287 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 287 D C 2.031 178.367 176.300 0.059 0.000 0.987 287 D CA 1.173 55.200 54.000 0.045 0.000 0.829 287 D CB -0.255 40.591 40.800 0.076 0.000 0.961 287 D HN 0.234 nan 8.370 nan 0.000 0.460 288 F N 0.582 120.515 119.950 -0.028 0.000 2.102 288 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 288 F C 1.925 177.643 175.800 -0.138 0.000 1.105 288 F CA 0.964 58.960 58.000 -0.007 0.000 1.239 288 F CB -0.056 39.029 39.000 0.141 0.000 0.991 288 F HN -0.104 nan 8.300 nan 0.000 0.474 289 L N 0.169 121.361 121.223 -0.052 0.000 2.056 289 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 289 L C 2.670 179.450 176.870 -0.151 0.000 1.078 289 L CA 1.770 56.508 54.840 -0.170 0.000 0.749 289 L CB -1.276 40.593 42.059 -0.318 0.000 0.901 289 L HN 0.278 nan 8.230 nan 0.000 0.433 290 V N -2.539 117.312 119.914 -0.105 0.000 2.261 290 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 290 V C 1.924 177.954 176.094 -0.108 0.000 1.047 290 V CA 1.802 64.062 62.300 -0.066 0.000 1.015 290 V CB -0.952 30.857 31.823 -0.024 0.000 0.642 290 V HN 0.497 nan 8.190 nan 0.000 0.446 291 E N -0.299 119.812 120.200 -0.148 0.000 2.403 291 E HA -0.021 4.329 4.350 -0.000 0.000 0.187 291 E C 1.576 178.009 176.600 -0.279 0.000 1.073 291 E CA 0.187 56.482 56.400 -0.174 0.000 0.888 291 E CB 0.198 29.813 29.700 -0.141 0.000 1.035 291 E HN 0.715 nan 8.360 nan 0.000 0.471 292 E N -0.641 119.360 120.200 -0.333 0.000 2.453 292 E HA 0.125 4.475 4.350 -0.000 0.000 0.211 292 E C 0.134 176.582 176.600 -0.254 0.000 0.897 292 E CA 0.249 56.435 56.400 -0.357 0.000 1.063 292 E CB 0.570 29.941 29.700 -0.548 0.000 1.080 292 E HN 0.166 nan 8.360 nan 0.000 0.512 293 L N 0.631 121.714 121.223 -0.234 0.000 2.959 293 L HA 0.698 5.038 4.340 -0.000 0.000 0.236 293 L C 0.334 177.108 176.870 -0.160 0.000 1.296 293 L CA -0.464 54.215 54.840 -0.267 0.000 1.047 293 L CB 0.951 42.763 42.059 -0.412 0.000 1.395 293 L HN 0.089 nan 8.230 nan 0.000 0.492 294 G N 0.000 108.726 108.800 -0.123 0.000 5.446 294 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 294 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 294 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 294 G HN 0.000 nan 8.290 nan 0.000 0.925