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 1m67_1_A DATA FIRST_RESID 9 DATA SEQUENCE KDELLYLNKA VVFGSGAFGT ALAMVLSKKC REVCVWHMNE EEVRLVNEKR DATA SEQUENCE ENVLFLKGVQ LASNITFTSD VEKAYNGAEI ILFVIPTQFL RGFFEKSGGN DATA SEQUENCE LIAYAKEKQV PVLVCTKGIE RSTLKFPAEI IGEFLPSPLL SVLAGPSFAI DATA SEQUENCE EVATGVFTCV SIASADINVA RRLQRIMSTG DRSFVCWATT DTVGCEVASA DATA SEQUENCE VKNVLAIGSG VANGLGMGLN ARAALIMRGL LEIRDLTAAL GGDGSAVFGL DATA SEQUENCE AGLGDLQLTC SSELSRNFTV GKKLGKGLPI EEIQRXXXAV AEGVATADPL DATA SEQUENCE MRLAKQLKVK MPLCHQIYEI VYKKKNPRDA LADLLSCGLQ DEGLPPLFK 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.586 176.600 -0.024 0.000 0.988 9 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 9 K CB 0.000 32.497 32.500 -0.004 0.000 1.064 10 D N 1.337 121.724 120.400 -0.022 0.000 2.336 10 D HA 0.137 4.777 4.640 -0.000 0.000 0.228 10 D C 0.039 176.330 176.300 -0.015 0.000 1.120 10 D CA 0.140 54.122 54.000 -0.031 0.000 0.839 10 D CB 0.554 41.336 40.800 -0.030 0.000 0.932 10 D HN 0.500 nan 8.370 nan 0.000 0.509 11 E N 0.857 121.056 120.200 -0.003 0.000 2.158 11 E HA 0.318 4.668 4.350 -0.000 0.000 0.271 11 E C -0.348 176.263 176.600 0.019 0.000 0.911 11 E CA -0.606 55.805 56.400 0.018 0.000 0.767 11 E CB 1.120 30.836 29.700 0.027 0.000 1.120 11 E HN 0.040 nan 8.360 nan 0.000 0.405 12 L N 3.736 124.981 121.223 0.037 0.000 2.466 12 L HA 0.332 4.671 4.340 -0.000 0.000 0.257 12 L C -0.025 176.856 176.870 0.019 0.000 1.189 12 L CA -0.455 54.377 54.840 -0.012 0.000 0.813 12 L CB 0.320 42.337 42.059 -0.071 0.000 1.118 12 L HN 0.446 nan 8.230 nan 0.000 0.471 13 L N 1.029 122.197 121.223 -0.091 0.000 2.362 13 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 13 L C -1.185 175.599 176.870 -0.144 0.000 0.998 13 L CA -0.566 54.262 54.840 -0.020 0.000 0.820 13 L CB 1.606 43.656 42.059 -0.015 0.000 1.270 13 L HN 0.355 nan 8.230 nan 0.000 0.415 14 Y N 3.104 123.408 120.300 0.007 0.000 2.446 14 Y HA 0.703 5.253 4.550 -0.000 0.000 0.338 14 Y C -0.010 175.894 175.900 0.007 0.000 1.055 14 Y CA -0.637 57.467 58.100 0.005 0.000 1.101 14 Y CB 1.808 40.270 38.460 0.005 0.000 1.221 14 Y HN 0.309 nan 8.280 nan 0.000 0.460 15 L N 1.013 122.319 121.223 0.138 0.000 2.283 15 L HA 0.509 4.849 4.340 -0.000 0.000 0.259 15 L C 0.544 177.461 176.870 0.078 0.000 1.027 15 L CA -0.976 53.916 54.840 0.085 0.000 0.828 15 L CB 1.579 43.666 42.059 0.046 0.000 1.380 15 L HN 0.604 nan 8.230 nan 0.000 0.425 16 N N 0.057 118.793 118.700 0.059 0.000 2.290 16 N HA 0.022 4.762 4.740 -0.000 0.000 0.179 16 N C -0.009 175.523 175.510 0.036 0.000 1.016 16 N CA 0.908 53.986 53.050 0.046 0.000 0.871 16 N CB 0.669 39.180 38.487 0.041 0.000 0.987 16 N HN 0.432 nan 8.380 nan 0.000 0.431 17 K N -0.123 120.300 120.400 0.038 0.000 2.508 17 K HA 0.630 4.949 4.320 -0.000 0.000 0.260 17 K C -1.971 174.642 176.600 0.021 0.000 0.949 17 K CA -0.582 55.720 56.287 0.025 0.000 0.834 17 K CB 2.526 35.043 32.500 0.028 0.000 1.365 17 K HN -0.029 nan 8.250 nan 0.000 0.437 18 A N 1.914 124.729 122.820 -0.007 0.000 2.520 18 A HA 0.595 4.914 4.320 -0.000 0.000 0.298 18 A C -1.819 175.719 177.584 -0.075 0.000 1.051 18 A CA -0.669 51.351 52.037 -0.029 0.000 0.690 18 A CB 1.837 20.807 19.000 -0.049 0.000 1.281 18 A HN 0.422 nan 8.150 nan 0.000 0.402 19 V N 2.196 122.048 119.914 -0.104 0.000 2.769 19 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 19 V C -1.273 174.634 176.094 -0.311 0.000 1.061 19 V CA -0.480 61.677 62.300 -0.239 0.000 0.931 19 V CB 1.979 33.639 31.823 -0.271 0.000 1.010 19 V HN 0.945 nan 8.190 nan 0.000 0.433 20 V N 6.489 126.147 119.914 -0.426 0.000 2.525 20 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 20 V C -0.911 174.906 176.094 -0.463 0.000 1.034 20 V CA -0.370 61.711 62.300 -0.365 0.000 0.863 20 V CB 1.547 33.209 31.823 -0.269 0.000 0.999 20 V HN 0.762 nan 8.190 nan 0.000 0.423 21 F N 3.291 123.070 119.950 -0.285 0.000 2.350 21 F HA 0.737 5.264 4.527 -0.000 0.000 0.365 21 F C 0.884 176.640 175.800 -0.074 0.000 1.122 21 F CA -0.045 57.837 58.000 -0.196 0.000 1.139 21 F CB 1.584 40.232 39.000 -0.586 0.000 1.220 21 F HN 0.694 nan 8.300 nan 0.000 0.499 22 G N 1.106 109.995 108.800 0.148 0.000 2.677 22 G HA2 0.164 4.123 3.960 -0.000 0.000 0.321 22 G HA3 0.164 4.123 3.960 -0.000 0.000 0.321 22 G C -0.233 174.654 174.900 -0.021 0.000 1.449 22 G CA -0.587 44.564 45.100 0.085 0.000 1.064 22 G HN 0.721 nan 8.290 nan 0.000 0.627 23 S N 1.009 116.698 115.700 -0.018 0.000 2.537 23 S HA 0.606 5.076 4.470 -0.000 0.000 0.246 23 S C 1.201 175.799 174.600 -0.003 0.000 1.036 23 S CA 0.493 58.694 58.200 0.003 0.000 1.041 23 S CB 0.766 64.087 63.200 0.201 0.000 0.799 23 S HN 1.606 nan 8.310 nan 0.000 0.456 24 G N 0.622 109.357 108.800 -0.109 0.000 2.525 24 G HA2 0.576 4.536 3.960 -0.000 0.000 0.287 24 G HA3 0.576 4.536 3.960 -0.000 0.000 0.287 24 G C 1.061 176.032 174.900 0.118 0.000 1.350 24 G CA -0.392 44.613 45.100 -0.158 0.000 1.039 24 G HN 0.458 nan 8.290 nan 0.000 0.513 25 A N -0.952 121.970 122.820 0.170 0.000 1.933 25 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 25 A C 2.073 179.814 177.584 0.261 0.000 1.175 25 A CA 1.630 53.799 52.037 0.220 0.000 0.628 25 A CB -0.556 18.558 19.000 0.189 0.000 0.814 25 A HN 0.604 nan 8.150 nan 0.000 0.444 26 F N 0.300 120.292 119.950 0.070 0.000 2.128 26 F HA 0.008 4.534 4.527 -0.000 0.000 0.295 26 F C 2.432 178.262 175.800 0.049 0.000 1.100 26 F CA 0.941 58.985 58.000 0.073 0.000 1.260 26 F CB -0.172 38.876 39.000 0.081 0.000 1.009 26 F HN 0.313 nan 8.300 nan 0.000 0.476 27 G N -0.824 107.971 108.800 -0.008 0.000 2.402 27 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 27 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 27 G C 1.548 176.384 174.900 -0.107 0.000 1.162 27 G CA 1.258 46.273 45.100 -0.143 0.000 0.777 27 G HN 0.304 nan 8.290 nan 0.000 0.539 28 T N 1.755 116.315 114.554 0.010 0.000 2.684 28 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 28 T C 2.814 177.532 174.700 0.030 0.000 1.036 28 T CA 1.787 63.933 62.100 0.076 0.000 1.148 28 T CB -0.452 68.538 68.868 0.203 0.000 0.863 28 T HN 0.371 nan 8.240 nan 0.000 0.436 29 A N 1.022 123.865 122.820 0.039 0.000 1.940 29 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 29 A C 2.314 179.828 177.584 -0.116 0.000 1.176 29 A CA 1.258 53.304 52.037 0.016 0.000 0.631 29 A CB -0.823 18.250 19.000 0.122 0.000 0.814 29 A HN 0.500 nan 8.150 nan 0.000 0.446 30 L N -1.000 120.087 121.223 -0.227 0.000 2.093 30 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 30 L C 3.043 179.754 176.870 -0.264 0.000 1.085 30 L CA 0.932 55.563 54.840 -0.349 0.000 0.755 30 L CB -0.555 41.235 42.059 -0.448 0.000 0.904 30 L HN 0.448 nan 8.230 nan 0.000 0.435 31 A N -0.437 122.277 122.820 -0.177 0.000 2.019 31 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 31 A C 2.297 179.825 177.584 -0.094 0.000 1.164 31 A CA 1.305 53.266 52.037 -0.126 0.000 0.644 31 A CB -0.301 18.649 19.000 -0.084 0.000 0.805 31 A HN 0.287 nan 8.150 nan 0.000 0.449 32 M N -0.687 118.860 119.600 -0.088 0.000 2.254 32 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 32 M C 2.101 178.336 176.300 -0.108 0.000 1.066 32 M CA 1.075 56.336 55.300 -0.065 0.000 1.123 32 M CB -0.879 31.700 32.600 -0.035 0.000 1.388 32 M HN 0.275 nan 8.290 nan 0.000 0.425 33 V N 0.554 120.344 119.914 -0.206 0.000 2.323 33 V HA -0.221 3.898 4.120 -0.000 0.000 0.244 33 V C 2.467 178.446 176.094 -0.191 0.000 1.041 33 V CA 1.284 63.420 62.300 -0.273 0.000 1.025 33 V CB -0.643 30.814 31.823 -0.610 0.000 0.656 33 V HN 0.374 nan 8.190 nan 0.000 0.451 34 L N 1.019 122.130 121.223 -0.187 0.000 2.046 34 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 34 L C 2.752 179.579 176.870 -0.072 0.000 1.077 34 L CA 1.884 56.646 54.840 -0.129 0.000 0.747 34 L CB -0.798 41.185 42.059 -0.127 0.000 0.896 34 L HN 0.573 nan 8.230 nan 0.000 0.432 35 S N -0.234 115.430 115.700 -0.060 0.000 2.440 35 S HA -0.208 4.261 4.470 -0.000 0.000 0.238 35 S C 1.689 176.291 174.600 0.005 0.000 1.010 35 S CA 1.072 59.259 58.200 -0.020 0.000 0.972 35 S CB -0.332 62.860 63.200 -0.013 0.000 0.774 35 S HN 0.465 nan 8.310 nan 0.000 0.501 36 K N 0.094 120.491 120.400 -0.004 0.000 2.404 36 K HA 0.237 4.556 4.320 -0.000 0.000 0.194 36 K C 1.045 177.698 176.600 0.088 0.000 1.023 36 K CA 0.096 56.409 56.287 0.043 0.000 1.094 36 K CB 0.230 32.748 32.500 0.031 0.000 0.841 36 K HN 0.208 nan 8.250 nan 0.000 0.523 37 K N -0.273 120.141 120.400 0.023 0.000 2.491 37 K HA 0.167 4.487 4.320 -0.000 0.000 0.211 37 K C -0.030 176.612 176.600 0.069 0.000 1.210 37 K CA 0.133 56.402 56.287 -0.030 0.000 1.003 37 K CB 1.024 33.385 32.500 -0.232 0.000 1.009 37 K HN -0.000 nan 8.250 nan 0.000 0.577 38 C N 1.398 120.729 119.300 0.051 0.000 2.369 38 C HA 0.417 4.877 4.460 -0.000 0.000 0.322 38 C C 1.836 176.858 174.990 0.052 0.000 1.258 38 C CA -1.067 57.982 59.018 0.052 0.000 1.487 38 C CB 1.908 29.653 27.740 0.008 0.000 2.165 38 C HN 0.403 nan 8.230 nan 0.000 0.483 39 R N 1.904 122.440 120.500 0.058 0.000 2.162 39 R HA -0.180 4.159 4.340 -0.000 0.000 0.245 39 R C 0.717 177.030 176.300 0.021 0.000 1.129 39 R CA 1.993 58.115 56.100 0.037 0.000 0.940 39 R CB 0.048 30.367 30.300 0.032 0.000 0.875 39 R HN 0.868 nan 8.270 nan 0.000 0.437 40 E N -1.062 119.147 120.200 0.014 0.000 2.256 40 E HA 0.444 4.794 4.350 -0.000 0.000 0.267 40 E C -1.665 174.928 176.600 -0.011 0.000 0.892 40 E CA -0.879 55.522 56.400 0.002 0.000 0.775 40 E CB 1.999 31.698 29.700 -0.001 0.000 1.207 40 E HN -0.004 nan 8.360 nan 0.000 0.420 41 V N 3.582 123.484 119.914 -0.021 0.000 2.610 41 V HA 0.237 4.356 4.120 -0.000 0.000 0.298 41 V C -0.737 175.322 176.094 -0.058 0.000 1.067 41 V CA -0.825 61.447 62.300 -0.047 0.000 0.894 41 V CB 1.408 33.202 31.823 -0.049 0.000 1.015 41 V HN 0.842 nan 8.190 nan 0.000 0.432 42 C N 4.620 123.860 119.300 -0.100 0.000 2.370 42 C HA 0.785 5.245 4.460 -0.000 0.000 0.354 42 C C 0.271 175.119 174.990 -0.236 0.000 1.218 42 C CA -0.831 58.112 59.018 -0.126 0.000 2.154 42 C CB 1.201 28.868 27.740 -0.121 0.000 2.391 42 C HN 0.595 nan 8.230 nan 0.000 0.540 43 V N 1.904 121.629 119.914 -0.314 0.000 2.407 43 V HA 0.253 4.373 4.120 -0.000 0.000 0.291 43 V C -0.670 175.120 176.094 -0.508 0.000 1.018 43 V CA -0.371 61.607 62.300 -0.537 0.000 0.842 43 V CB 1.191 32.453 31.823 -0.934 0.000 0.996 43 V HN 0.954 nan 8.190 nan 0.000 0.426 44 W N 6.293 127.261 121.300 -0.554 0.000 2.437 44 W HA 0.498 5.158 4.660 -0.000 0.000 0.312 44 W C -0.109 176.333 176.519 -0.129 0.000 1.242 44 W CA 0.059 57.209 57.345 -0.326 0.000 1.340 44 W CB 0.271 29.523 29.460 -0.347 0.000 1.327 44 W HN 0.724 nan 8.180 nan 0.000 0.476 45 H N 6.251 124.763 119.070 -0.930 0.000 2.572 45 H HA 0.231 4.787 4.556 -0.000 0.000 0.359 45 H C 1.207 175.820 175.328 -1.192 0.000 1.134 45 H CA -0.523 55.019 56.048 -0.843 0.000 1.187 45 H CB 1.805 31.417 29.762 -0.250 0.000 1.597 45 H HN 0.594 nan 8.280 nan 0.000 0.524 46 M N 2.122 120.775 119.600 -1.579 0.000 2.193 46 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 46 M C 0.369 176.375 176.300 -0.490 0.000 1.071 46 M CA 0.946 55.662 55.300 -0.973 0.000 1.140 46 M CB 0.022 32.282 32.600 -0.567 0.000 1.369 46 M HN 0.361 nan 8.290 nan 0.000 0.423 47 N N 2.624 121.024 118.700 -0.500 0.000 2.416 47 N HA -0.067 4.673 4.740 -0.000 0.000 0.271 47 N C 0.497 176.006 175.510 -0.001 0.000 1.245 47 N CA 0.346 53.316 53.050 -0.132 0.000 0.940 47 N CB 0.623 39.111 38.487 0.002 0.000 1.175 47 N HN 0.323 nan 8.380 nan 0.000 0.483 48 E N 3.202 123.393 120.200 -0.015 0.000 2.118 48 E HA -0.212 4.137 4.350 -0.000 0.000 0.195 48 E C 1.019 177.635 176.600 0.027 0.000 0.992 48 E CA 1.089 57.496 56.400 0.013 0.000 0.804 48 E CB 0.199 29.906 29.700 0.012 0.000 0.741 48 E HN 0.757 nan 8.360 nan 0.000 0.458 49 E N 0.176 120.389 120.200 0.022 0.000 2.072 49 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 49 E C 1.882 178.488 176.600 0.011 0.000 0.985 49 E CA 1.073 57.480 56.400 0.011 0.000 0.801 49 E CB 0.092 29.795 29.700 0.004 0.000 0.750 49 E HN 0.302 nan 8.360 nan 0.000 0.452 50 E N -0.135 120.091 120.200 0.044 0.000 2.077 50 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 50 E C 2.183 178.783 176.600 -0.002 0.000 0.989 50 E CA 1.191 57.600 56.400 0.015 0.000 0.800 50 E CB 0.018 29.767 29.700 0.082 0.000 0.746 50 E HN 0.105 nan 8.360 nan 0.000 0.452 51 V N 1.302 121.276 119.914 0.099 0.000 2.282 51 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 51 V C 2.290 178.396 176.094 0.019 0.000 1.057 51 V CA 2.090 64.457 62.300 0.112 0.000 1.032 51 V CB -0.447 31.445 31.823 0.114 0.000 0.645 51 V HN 0.222 nan 8.190 nan 0.000 0.447 52 R N -0.923 119.577 120.500 -0.001 0.000 2.070 52 R HA -0.147 4.193 4.340 -0.000 0.000 0.233 52 R C 2.206 178.466 176.300 -0.067 0.000 1.137 52 R CA 1.673 57.758 56.100 -0.026 0.000 0.945 52 R CB -0.702 29.588 30.300 -0.018 0.000 0.845 52 R HN 0.420 nan 8.270 nan 0.000 0.430 53 L N 1.012 122.187 121.223 -0.080 0.000 1.951 53 L HA -0.247 4.093 4.340 -0.000 0.000 0.222 53 L C 2.108 178.875 176.870 -0.170 0.000 1.078 53 L CA 1.862 56.634 54.840 -0.113 0.000 0.778 53 L CB -0.870 41.118 42.059 -0.119 0.000 0.893 53 L HN -0.031 nan 8.230 nan 0.000 0.436 54 V N 0.737 120.498 119.914 -0.256 0.000 2.277 54 V HA -0.409 3.711 4.120 -0.000 0.000 0.253 54 V C 2.505 178.398 176.094 -0.336 0.000 1.067 54 V CA 2.298 64.348 62.300 -0.416 0.000 1.047 54 V CB -1.071 30.263 31.823 -0.814 0.000 0.649 54 V HN 0.604 nan 8.190 nan 0.000 0.447 55 N N -0.437 118.125 118.700 -0.230 0.000 2.223 55 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 55 N C 1.854 177.301 175.510 -0.104 0.000 1.016 55 N CA 1.473 54.444 53.050 -0.132 0.000 0.863 55 N CB -0.142 38.314 38.487 -0.052 0.000 0.983 55 N HN 0.650 nan 8.380 nan 0.000 0.429 56 E N 0.654 120.793 120.200 -0.102 0.000 2.028 56 E HA -0.033 4.316 4.350 -0.000 0.000 0.190 56 E C 1.404 177.951 176.600 -0.088 0.000 0.984 56 E CA 0.730 57.082 56.400 -0.080 0.000 0.800 56 E CB 0.132 29.790 29.700 -0.070 0.000 0.758 56 E HN 0.094 nan 8.360 nan 0.000 0.448 57 K N 0.608 120.940 120.400 -0.114 0.000 2.504 57 K HA -0.023 4.297 4.320 -0.000 0.000 0.195 57 K C 0.533 177.064 176.600 -0.115 0.000 1.036 57 K CA 0.219 56.439 56.287 -0.112 0.000 0.984 57 K CB -0.032 32.389 32.500 -0.131 0.000 0.788 57 K HN -0.019 nan 8.250 nan 0.000 0.488 58 R N 1.281 121.706 120.500 -0.126 0.000 3.627 58 R HA -0.204 4.136 4.340 -0.000 0.000 0.281 58 R C -0.784 175.438 176.300 -0.130 0.000 1.140 58 R CA 1.218 57.251 56.100 -0.113 0.000 0.761 58 R CB -1.571 28.686 30.300 -0.071 0.000 1.181 58 R HN 0.511 nan 8.270 nan 0.000 0.472 59 E N -0.529 119.555 120.200 -0.192 0.000 2.388 59 E HA 0.092 4.442 4.350 -0.000 0.000 0.289 59 E C -1.442 174.986 176.600 -0.286 0.000 0.944 59 E CA -0.768 55.519 56.400 -0.188 0.000 0.792 59 E CB 0.744 30.367 29.700 -0.127 0.000 1.239 59 E HN 0.171 nan 8.360 nan 0.000 0.412 60 N N 4.604 123.135 118.700 -0.281 0.000 2.605 60 N HA 0.008 4.748 4.740 -0.000 0.000 0.282 60 N C 1.081 176.458 175.510 -0.221 0.000 1.206 60 N CA 0.338 53.198 53.050 -0.317 0.000 1.074 60 N CB 0.676 39.108 38.487 -0.093 0.000 1.434 60 N HN 0.477 nan 8.380 nan 0.000 0.506 61 V N 1.552 121.311 119.914 -0.259 0.000 3.444 61 V HA -0.075 4.045 4.120 -0.000 0.000 0.271 61 V C 1.839 177.759 176.094 -0.291 0.000 1.188 61 V CA 0.838 63.008 62.300 -0.217 0.000 1.168 61 V CB -0.612 31.096 31.823 -0.192 0.000 0.810 61 V HN 0.410 nan 8.190 nan 0.000 0.500 62 L N -1.077 119.886 121.223 -0.433 0.000 2.049 62 L HA 0.200 4.540 4.340 -0.000 0.000 0.203 62 L C 2.053 178.334 176.870 -0.983 0.000 1.074 62 L CA 1.785 56.113 54.840 -0.853 0.000 0.749 62 L CB -0.245 41.098 42.059 -1.192 0.000 0.907 62 L HN 0.388 nan 8.230 nan 0.000 0.439 63 F N -2.503 117.441 119.950 -0.010 0.000 2.871 63 F HA 0.264 4.791 4.527 -0.000 0.000 0.344 63 F C 0.289 176.107 175.800 0.031 0.000 1.078 63 F CA -0.297 57.719 58.000 0.026 0.000 1.149 63 F CB 0.796 39.832 39.000 0.061 0.000 1.087 63 F HN -0.183 nan 8.300 nan 0.000 0.557 64 L N 2.068 123.373 121.223 0.137 0.000 2.594 64 L HA 0.392 4.732 4.340 -0.000 0.000 0.245 64 L C -0.097 176.785 176.870 0.021 0.000 1.460 64 L CA -0.385 54.511 54.840 0.094 0.000 0.865 64 L CB -0.009 42.121 42.059 0.119 0.000 1.131 64 L HN -0.135 nan 8.230 nan 0.000 0.506 65 K N 0.897 121.294 120.400 -0.005 0.000 2.469 65 K HA 0.411 4.731 4.320 -0.000 0.000 0.274 65 K C 1.115 177.704 176.600 -0.019 0.000 0.983 65 K CA 0.683 56.950 56.287 -0.033 0.000 0.974 65 K CB 0.350 32.826 32.500 -0.039 0.000 0.913 65 K HN 0.638 nan 8.250 nan 0.000 0.493 66 G N 0.401 109.184 108.800 -0.029 0.000 2.159 66 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.256 66 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.256 66 G C -0.135 174.759 174.900 -0.010 0.000 0.977 66 G CA 0.069 45.157 45.100 -0.019 0.000 0.652 66 G HN 0.379 nan 8.290 nan 0.000 0.531 67 V N 0.811 120.719 119.914 -0.010 0.000 2.555 67 V HA 0.538 4.658 4.120 -0.000 0.000 0.302 67 V C 0.076 176.161 176.094 -0.015 0.000 1.038 67 V CA -0.991 61.308 62.300 -0.000 0.000 0.887 67 V CB 1.959 33.794 31.823 0.020 0.000 0.991 67 V HN 0.253 nan 8.190 nan 0.000 0.434 68 Q N 3.824 123.618 119.800 -0.010 0.000 2.377 68 Q HA 0.436 4.776 4.340 -0.000 0.000 0.249 68 Q C -0.561 175.431 176.000 -0.013 0.000 1.005 68 Q CA -0.289 55.502 55.803 -0.019 0.000 0.912 68 Q CB 1.439 30.168 28.738 -0.014 0.000 1.223 68 Q HN 0.600 nan 8.270 nan 0.000 0.459 69 L N 1.867 123.075 121.223 -0.025 0.000 2.540 69 L HA -0.003 4.337 4.340 -0.000 0.000 0.276 69 L C 0.907 177.775 176.870 -0.003 0.000 1.212 69 L CA -0.094 54.742 54.840 -0.007 0.000 0.893 69 L CB 0.087 42.134 42.059 -0.021 0.000 1.138 69 L HN 0.576 nan 8.230 nan 0.000 0.491 70 A N 2.732 125.557 122.820 0.008 0.000 2.536 70 A HA 0.058 4.378 4.320 -0.000 0.000 0.234 70 A C 1.368 178.955 177.584 0.005 0.000 1.076 70 A CA 0.442 52.483 52.037 0.007 0.000 0.769 70 A CB 0.195 19.201 19.000 0.009 0.000 1.020 70 A HN 0.941 nan 8.150 nan 0.000 0.508 71 S N 0.606 116.307 115.700 0.002 0.000 2.453 71 S HA -0.142 4.327 4.470 -0.000 0.000 0.231 71 S C 1.065 175.668 174.600 0.006 0.000 1.005 71 S CA 0.982 59.181 58.200 -0.000 0.000 0.949 71 S CB -0.472 62.727 63.200 -0.003 0.000 0.774 71 S HN 0.931 nan 8.310 nan 0.000 0.510 72 N N 1.538 120.244 118.700 0.009 0.000 2.434 72 N HA 0.143 4.883 4.740 -0.000 0.000 0.196 72 N C -0.132 175.388 175.510 0.016 0.000 1.183 72 N CA -0.130 52.926 53.050 0.011 0.000 0.849 72 N CB -0.621 37.872 38.487 0.010 0.000 0.992 72 N HN 0.508 nan 8.380 nan 0.000 0.460 73 I N 0.517 121.104 120.570 0.029 0.000 2.336 73 I HA 0.213 4.383 4.170 -0.000 0.000 0.292 73 I C -0.362 175.812 176.117 0.095 0.000 0.991 73 I CA -0.373 60.962 61.300 0.058 0.000 1.227 73 I CB 1.595 39.648 38.000 0.088 0.000 1.366 73 I HN -0.142 nan 8.210 nan 0.000 0.466 74 T N 6.160 120.776 114.554 0.103 0.000 2.840 74 T HA 0.447 4.797 4.350 -0.000 0.000 0.287 74 T C -0.429 174.393 174.700 0.204 0.000 0.991 74 T CA -0.405 61.775 62.100 0.133 0.000 0.964 74 T CB 0.631 69.533 68.868 0.056 0.000 0.954 74 T HN 0.037 nan 8.240 nan 0.000 0.438 75 F N 2.452 122.374 119.950 -0.047 0.000 2.443 75 F HA 0.551 5.077 4.527 -0.000 0.000 0.353 75 F C 1.177 176.955 175.800 -0.037 0.000 1.101 75 F CA -0.234 57.736 58.000 -0.049 0.000 1.226 75 F CB 1.228 40.190 39.000 -0.063 0.000 1.140 75 F HN 0.375 nan 8.300 nan 0.000 0.557 76 T N 0.456 115.044 114.554 0.057 0.000 2.956 76 T HA 0.368 4.718 4.350 -0.000 0.000 0.312 76 T C 0.167 174.870 174.700 0.005 0.000 1.151 76 T CA -0.325 61.808 62.100 0.055 0.000 1.024 76 T CB 1.120 70.027 68.868 0.065 0.000 1.140 76 T HN 0.587 nan 8.240 nan 0.000 0.473 77 S N 2.228 117.940 115.700 0.020 0.000 2.572 77 S HA 0.216 4.686 4.470 -0.000 0.000 0.228 77 S C 0.147 174.938 174.600 0.318 0.000 0.963 77 S CA -0.357 57.820 58.200 -0.039 0.000 0.939 77 S CB 0.039 63.202 63.200 -0.062 0.000 0.804 77 S HN 0.700 nan 8.310 nan 0.000 0.480 78 D N 1.698 122.301 120.400 0.340 0.000 2.472 78 D HA 0.252 4.892 4.640 -0.000 0.000 0.234 78 D C 1.260 177.754 176.300 0.323 0.000 1.088 78 D CA -0.468 53.706 54.000 0.289 0.000 0.882 78 D CB 1.437 42.314 40.800 0.129 0.000 1.037 78 D HN -0.014 nan 8.370 nan 0.000 0.520 79 V N 4.010 124.133 119.914 0.348 0.000 2.313 79 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 79 V C 2.253 178.470 176.094 0.205 0.000 1.070 79 V CA 1.769 64.198 62.300 0.214 0.000 1.057 79 V CB -0.307 31.524 31.823 0.013 0.000 0.653 79 V HN 0.582 nan 8.190 nan 0.000 0.450 80 E N 0.134 120.368 120.200 0.056 0.000 2.110 80 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 80 E C 2.198 178.553 176.600 -0.410 0.000 0.988 80 E CA 1.143 57.408 56.400 -0.225 0.000 0.804 80 E CB -0.284 29.355 29.700 -0.100 0.000 0.745 80 E HN 0.644 nan 8.360 nan 0.000 0.458 81 K N 0.556 120.858 120.400 -0.164 0.000 2.167 81 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 81 K C 2.206 178.715 176.600 -0.151 0.000 1.052 81 K CA 0.742 56.937 56.287 -0.153 0.000 0.956 81 K CB -0.026 32.444 32.500 -0.050 0.000 0.735 81 K HN 0.018 nan 8.250 nan 0.000 0.451 82 A N 1.736 124.519 122.820 -0.060 0.000 1.865 82 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 82 A C 2.139 179.683 177.584 -0.066 0.000 1.191 82 A CA 1.779 53.776 52.037 -0.066 0.000 0.623 82 A CB -0.794 18.168 19.000 -0.063 0.000 0.826 82 A HN 0.534 nan 8.150 nan 0.000 0.444 83 Y N -0.619 119.705 120.300 0.040 0.000 2.503 83 Y HA 0.259 4.808 4.550 -0.000 0.000 0.278 83 Y C 0.622 176.453 175.900 -0.115 0.000 1.111 83 Y CA -0.503 57.639 58.100 0.069 0.000 1.270 83 Y CB -1.008 37.604 38.460 0.253 0.000 1.063 83 Y HN 0.260 nan 8.280 nan 0.000 0.548 84 N N 1.787 120.079 118.700 -0.679 0.000 2.414 84 N HA 0.245 4.984 4.740 -0.000 0.000 0.268 84 N C 1.190 176.553 175.510 -0.245 0.000 1.286 84 N CA 1.714 54.396 53.050 -0.613 0.000 0.896 84 N CB 0.230 38.391 38.487 -0.542 0.000 1.093 84 N HN 0.782 nan 8.380 nan 0.000 0.480 85 G N 2.023 110.752 108.800 -0.118 0.000 2.299 85 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 85 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 85 G C 0.348 175.358 174.900 0.183 0.000 1.027 85 G CA 0.205 45.353 45.100 0.080 0.000 0.619 85 G HN 1.104 nan 8.290 nan 0.000 0.513 86 A N 0.502 123.442 122.820 0.200 0.000 2.587 86 A HA 0.449 4.769 4.320 -0.000 0.000 0.235 86 A C 0.903 178.622 177.584 0.226 0.000 1.044 86 A CA 1.618 53.775 52.037 0.200 0.000 0.754 86 A CB 0.007 19.144 19.000 0.228 0.000 0.968 86 A HN 0.645 nan 8.150 nan 0.000 0.509 87 E N 0.993 121.268 120.200 0.125 0.000 2.526 87 E HA 0.401 4.751 4.350 -0.000 0.000 0.208 87 E C -0.245 176.391 176.600 0.060 0.000 0.997 87 E CA 0.104 56.558 56.400 0.090 0.000 0.961 87 E CB 0.567 30.308 29.700 0.068 0.000 1.030 87 E HN 0.650 nan 8.360 nan 0.000 0.483 88 I N 0.917 121.524 120.570 0.063 0.000 2.787 88 I HA 0.326 4.496 4.170 -0.000 0.000 0.294 88 I C -1.845 174.299 176.117 0.044 0.000 1.365 88 I CA -0.841 60.484 61.300 0.042 0.000 1.029 88 I CB 1.864 39.871 38.000 0.012 0.000 1.313 88 I HN -0.119 nan 8.210 nan 0.000 0.431 89 I N 7.172 127.771 120.570 0.049 0.000 2.436 89 I HA 0.390 4.559 4.170 -0.000 0.000 0.289 89 I C -1.310 174.779 176.117 -0.048 0.000 1.010 89 I CA -0.759 60.547 61.300 0.011 0.000 1.098 89 I CB 1.945 39.991 38.000 0.077 0.000 1.266 89 I HN 0.290 nan 8.210 nan 0.000 0.434 90 L N 6.402 127.538 121.223 -0.146 0.000 2.322 90 L HA 0.510 4.849 4.340 -0.000 0.000 0.281 90 L C -0.847 175.874 176.870 -0.248 0.000 1.014 90 L CA -0.024 54.748 54.840 -0.114 0.000 0.815 90 L CB 1.261 43.252 42.059 -0.112 0.000 1.247 90 L HN 0.286 nan 8.230 nan 0.000 0.421 91 F N 2.920 122.932 119.950 0.105 0.000 2.436 91 F HA 0.526 5.052 4.527 -0.000 0.000 0.340 91 F C 0.665 176.512 175.800 0.079 0.000 1.113 91 F CA -0.378 57.678 58.000 0.093 0.000 1.022 91 F CB 1.538 40.601 39.000 0.105 0.000 1.128 91 F HN 0.122 nan 8.300 nan 0.000 0.466 92 V N 3.171 123.221 119.914 0.226 0.000 3.544 92 V HA 0.154 4.274 4.120 -0.000 0.000 0.298 92 V C 0.346 176.550 176.094 0.182 0.000 1.580 92 V CA -0.443 61.967 62.300 0.184 0.000 1.122 92 V CB -0.634 31.246 31.823 0.095 0.000 0.951 92 V HN 0.567 nan 8.190 nan 0.000 0.448 93 I N 3.448 124.139 120.570 0.202 0.000 2.775 93 I HA 0.089 4.258 4.170 -0.000 0.000 0.290 93 I C -1.922 174.320 176.117 0.208 0.000 1.203 93 I CA -0.955 60.464 61.300 0.199 0.000 1.433 93 I CB 0.557 38.645 38.000 0.145 0.000 1.354 93 I HN 0.084 nan 8.210 nan 0.000 0.579 94 P HA 0.049 nan 4.420 nan 0.000 0.269 94 P C 0.629 177.994 177.300 0.108 0.000 1.215 94 P CA -0.115 63.084 63.100 0.166 0.000 0.780 94 P CB 0.464 32.274 31.700 0.183 0.000 0.898 95 T N 0.798 115.372 114.554 0.033 0.000 2.635 95 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 95 T C 1.770 176.438 174.700 -0.053 0.000 1.040 95 T CA 1.714 63.815 62.100 0.001 0.000 1.156 95 T CB -0.684 68.166 68.868 -0.030 0.000 0.863 95 T HN 0.603 nan 8.240 nan 0.000 0.430 96 Q N 0.642 120.327 119.800 -0.192 0.000 2.248 96 Q HA -0.145 4.195 4.340 -0.000 0.000 0.208 96 Q C 1.591 177.399 176.000 -0.320 0.000 0.984 96 Q CA 1.744 57.346 55.803 -0.335 0.000 0.875 96 Q CB -0.837 27.570 28.738 -0.551 0.000 0.910 96 Q HN 0.639 nan 8.270 nan 0.000 0.433 97 F N -0.066 119.933 119.950 0.081 0.000 2.721 97 F HA 0.247 4.774 4.527 -0.000 0.000 0.301 97 F C 2.045 177.921 175.800 0.127 0.000 1.096 97 F CA -0.567 57.496 58.000 0.105 0.000 1.308 97 F CB 0.169 39.243 39.000 0.123 0.000 1.086 97 F HN -0.099 nan 8.300 nan 0.000 0.587 98 L N 0.509 121.877 121.223 0.241 0.000 1.956 98 L HA -0.311 4.028 4.340 -0.000 0.000 0.216 98 L C 2.872 179.910 176.870 0.280 0.000 1.073 98 L CA 1.801 56.782 54.840 0.235 0.000 0.762 98 L CB -0.428 41.720 42.059 0.149 0.000 0.889 98 L HN 0.150 nan 8.230 nan 0.000 0.433 99 R N -0.319 120.289 120.500 0.180 0.000 2.096 99 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 99 R C 2.129 178.496 176.300 0.111 0.000 1.139 99 R CA 1.804 57.990 56.100 0.145 0.000 0.952 99 R CB -0.667 29.730 30.300 0.162 0.000 0.854 99 R HN 0.500 nan 8.270 nan 0.000 0.436 100 G N -0.045 108.845 108.800 0.150 0.000 2.450 100 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.220 100 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.220 100 G C 1.250 176.187 174.900 0.062 0.000 1.130 100 G CA 0.689 45.862 45.100 0.121 0.000 0.760 100 G HN 0.457 nan 8.290 nan 0.000 0.557 101 F N 0.741 120.657 119.950 -0.057 0.000 2.084 101 F HA 0.067 4.594 4.527 -0.000 0.000 0.296 101 F C 2.280 177.823 175.800 -0.428 0.000 1.111 101 F CA 1.250 59.103 58.000 -0.245 0.000 1.224 101 F CB -0.224 38.577 39.000 -0.333 0.000 0.991 101 F HN 0.109 nan 8.300 nan 0.000 0.471 102 F N 1.228 120.959 119.950 -0.366 0.000 2.134 102 F HA -0.157 4.369 4.527 -0.000 0.000 0.299 102 F C 2.405 177.826 175.800 -0.633 0.000 1.097 102 F CA 1.950 59.490 58.000 -0.766 0.000 1.264 102 F CB -0.741 37.355 39.000 -1.506 0.000 1.001 102 F HN 0.057 nan 8.300 nan 0.000 0.479 103 E N -0.046 120.010 120.200 -0.240 0.000 2.046 103 E HA -0.231 4.119 4.350 -0.000 0.000 0.190 103 E C 1.988 178.521 176.600 -0.111 0.000 0.982 103 E CA 1.368 57.739 56.400 -0.048 0.000 0.800 103 E CB -0.148 29.595 29.700 0.071 0.000 0.756 103 E HN 0.203 nan 8.360 nan 0.000 0.449 104 K N 0.135 120.433 120.400 -0.171 0.000 2.305 104 K HA 0.062 4.382 4.320 -0.000 0.000 0.199 104 K C 1.129 177.560 176.600 -0.282 0.000 1.047 104 K CA 1.211 57.397 56.287 -0.169 0.000 0.976 104 K CB 0.485 32.924 32.500 -0.102 0.000 0.765 104 K HN -0.058 nan 8.250 nan 0.000 0.474 105 S N -1.586 113.789 115.700 -0.541 0.000 2.817 105 S HA 0.216 4.685 4.470 -0.000 0.000 0.262 105 S C 1.221 175.346 174.600 -0.791 0.000 1.051 105 S CA -0.187 57.618 58.200 -0.658 0.000 1.185 105 S CB 1.272 63.995 63.200 -0.796 0.000 1.152 105 S HN 0.390 nan 8.310 nan 0.000 0.653 106 G N 1.589 109.901 108.800 -0.814 0.000 2.813 106 G HA2 0.298 4.258 3.960 -0.000 0.000 0.209 106 G HA3 0.298 4.258 3.960 -0.000 0.000 0.209 106 G C 1.226 175.955 174.900 -0.286 0.000 1.150 106 G CA 0.472 45.184 45.100 -0.646 0.000 0.785 106 G HN 0.486 nan 8.290 nan 0.000 0.535 107 G N 1.919 110.596 108.800 -0.206 0.000 2.631 107 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 107 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 107 G C 1.694 176.553 174.900 -0.067 0.000 1.214 107 G CA 1.197 46.247 45.100 -0.084 0.000 0.785 107 G HN 0.466 nan 8.290 nan 0.000 0.596 108 N N 0.503 119.162 118.700 -0.068 0.000 2.142 108 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 108 N C 2.172 177.573 175.510 -0.182 0.000 1.023 108 N CA 1.260 54.307 53.050 -0.006 0.000 0.852 108 N CB -0.422 38.145 38.487 0.134 0.000 0.998 108 N HN 0.293 nan 8.380 nan 0.000 0.424 109 L N 1.990 122.936 121.223 -0.461 0.000 2.013 109 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 109 L C 2.030 178.731 176.870 -0.282 0.000 1.073 109 L CA 1.387 55.745 54.840 -0.802 0.000 0.753 109 L CB -0.841 40.855 42.059 -0.606 0.000 0.890 109 L HN 0.059 nan 8.230 nan 0.000 0.432 110 I N -0.170 120.336 120.570 -0.106 0.000 2.179 110 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 110 I C 2.647 178.774 176.117 0.017 0.000 1.088 110 I CA 1.407 62.725 61.300 0.030 0.000 1.357 110 I CB -0.745 37.315 38.000 0.100 0.000 1.051 110 I HN 0.397 nan 8.210 nan 0.000 0.409 111 A N 0.036 122.865 122.820 0.016 0.000 1.902 111 A HA -0.289 4.030 4.320 -0.000 0.000 0.217 111 A C 2.324 179.950 177.584 0.070 0.000 1.181 111 A CA 1.728 53.791 52.037 0.043 0.000 0.623 111 A CB -1.092 17.941 19.000 0.056 0.000 0.818 111 A HN 0.540 nan 8.150 nan 0.000 0.443 112 Y N 0.791 121.063 120.300 -0.048 0.000 2.128 112 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 112 Y C 2.642 178.552 175.900 0.016 0.000 1.154 112 Y CA 1.315 59.419 58.100 0.008 0.000 1.149 112 Y CB -0.768 37.715 38.460 0.039 0.000 0.976 112 Y HN 0.305 nan 8.280 nan 0.000 0.505 113 A N 0.422 123.139 122.820 -0.170 0.000 1.883 113 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 113 A C 2.251 179.747 177.584 -0.147 0.000 1.186 113 A CA 2.205 54.126 52.037 -0.193 0.000 0.624 113 A CB -0.655 18.342 19.000 -0.006 0.000 0.822 113 A HN 0.548 nan 8.150 nan 0.000 0.444 114 K N -0.771 119.588 120.400 -0.069 0.000 2.026 114 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 114 K C 2.168 178.733 176.600 -0.059 0.000 1.048 114 K CA 1.605 57.867 56.287 -0.043 0.000 0.929 114 K CB -0.155 32.338 32.500 -0.010 0.000 0.713 114 K HN 0.572 nan 8.250 nan 0.000 0.439 115 E N 1.270 121.435 120.200 -0.058 0.000 2.070 115 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 115 E C 1.058 177.612 176.600 -0.076 0.000 1.004 115 E CA 1.586 57.963 56.400 -0.039 0.000 0.805 115 E CB 0.199 29.909 29.700 0.016 0.000 0.744 115 E HN -0.056 nan 8.360 nan 0.000 0.451 116 K N 0.433 120.721 120.400 -0.186 0.000 2.410 116 K HA 0.103 4.423 4.320 -0.000 0.000 0.200 116 K C -0.235 176.280 176.600 -0.142 0.000 1.023 116 K CA 0.039 56.221 56.287 -0.175 0.000 1.149 116 K CB 0.614 32.950 32.500 -0.274 0.000 0.859 116 K HN 0.185 nan 8.250 nan 0.000 0.514 117 Q N -0.023 119.706 119.800 -0.118 0.000 2.439 117 Q HA -0.153 4.187 4.340 -0.000 0.000 0.325 117 Q C -0.491 175.468 176.000 -0.068 0.000 1.372 117 Q CA 0.483 56.244 55.803 -0.070 0.000 0.909 117 Q CB -2.469 26.246 28.738 -0.039 0.000 1.167 117 Q HN 0.042 nan 8.270 nan 0.000 0.418 118 V N 1.855 121.706 119.914 -0.105 0.000 2.488 118 V HA 0.217 4.337 4.120 -0.000 0.000 0.277 118 V C -1.228 174.869 176.094 0.004 0.000 1.046 118 V CA -1.084 61.179 62.300 -0.062 0.000 0.986 118 V CB 0.736 32.497 31.823 -0.103 0.000 0.989 118 V HN 0.172 nan 8.190 nan 0.000 0.475 119 P HA 0.166 nan 4.420 nan 0.000 0.268 119 P C -0.709 176.637 177.300 0.076 0.000 1.204 119 P CA 0.116 63.241 63.100 0.043 0.000 0.768 119 P CB 1.169 32.889 31.700 0.033 0.000 0.842 120 V N 4.610 124.587 119.914 0.105 0.000 2.628 120 V HA 0.372 4.491 4.120 -0.000 0.000 0.306 120 V C 0.062 176.252 176.094 0.160 0.000 1.045 120 V CA -0.720 61.684 62.300 0.173 0.000 0.905 120 V CB 1.795 33.777 31.823 0.266 0.000 0.997 120 V HN 0.395 nan 8.190 nan 0.000 0.436 121 L N 5.530 126.857 121.223 0.173 0.000 2.372 121 L HA 0.628 4.967 4.340 -0.000 0.000 0.274 121 L C -0.534 176.453 176.870 0.195 0.000 0.988 121 L CA -0.120 54.805 54.840 0.142 0.000 0.833 121 L CB 1.832 43.940 42.059 0.082 0.000 1.236 121 L HN 0.450 nan 8.230 nan 0.000 0.410 122 V N 5.031 125.061 119.914 0.192 0.000 2.406 122 V HA 0.215 4.335 4.120 -0.000 0.000 0.272 122 V C 0.488 176.698 176.094 0.192 0.000 1.043 122 V CA -0.233 62.197 62.300 0.217 0.000 0.915 122 V CB 0.876 32.800 31.823 0.168 0.000 0.988 122 V HN 1.029 nan 8.190 nan 0.000 0.466 123 C N 1.840 121.269 119.300 0.215 0.000 3.724 123 C HA 0.170 4.630 4.460 -0.000 0.000 0.327 123 C C 1.263 176.429 174.990 0.294 0.000 1.490 123 C CA -0.321 58.849 59.018 0.252 0.000 1.825 123 C CB -0.396 27.443 27.740 0.165 0.000 2.613 123 C HN 0.832 nan 8.230 nan 0.000 0.692 124 T N 2.725 117.424 114.554 0.243 0.000 2.932 124 T HA 0.217 4.566 4.350 -0.000 0.000 0.312 124 T C -0.193 174.617 174.700 0.183 0.000 1.071 124 T CA 0.846 63.072 62.100 0.211 0.000 1.128 124 T CB 0.339 69.319 68.868 0.187 0.000 0.984 124 T HN 0.442 nan 8.240 nan 0.000 0.549 125 K N 1.012 121.504 120.400 0.153 0.000 2.427 125 K HA 0.695 5.015 4.320 -0.000 0.000 0.252 125 K C 0.077 176.736 176.600 0.099 0.000 0.931 125 K CA -0.875 55.494 56.287 0.137 0.000 0.793 125 K CB 2.479 35.047 32.500 0.114 0.000 1.211 125 K HN 0.890 nan 8.250 nan 0.000 0.426 126 G N 1.472 110.335 108.800 0.105 0.000 2.340 126 G HA2 0.161 4.121 3.960 -0.000 0.000 0.282 126 G HA3 0.161 4.121 3.960 -0.000 0.000 0.282 126 G C -1.850 172.952 174.900 -0.164 0.000 1.312 126 G CA -1.058 44.047 45.100 0.007 0.000 0.942 126 G HN 0.412 nan 8.290 nan 0.000 0.495 127 I N 0.818 121.229 120.570 -0.265 0.000 2.499 127 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 127 I C 0.078 176.037 176.117 -0.262 0.000 1.048 127 I CA -0.588 60.427 61.300 -0.475 0.000 1.062 127 I CB 2.141 39.816 38.000 -0.541 0.000 1.238 127 I HN 0.678 nan 8.210 nan 0.000 0.426 128 E N 6.132 126.194 120.200 -0.231 0.000 2.290 128 E HA 0.173 4.522 4.350 -0.000 0.000 0.277 128 E C 0.652 177.172 176.600 -0.132 0.000 1.035 128 E CA -0.283 56.034 56.400 -0.139 0.000 0.873 128 E CB 0.873 30.517 29.700 -0.093 0.000 1.029 128 E HN 0.513 nan 8.360 nan 0.000 0.419 129 R N 2.085 122.523 120.500 -0.102 0.000 2.081 129 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 129 R C 2.466 178.722 176.300 -0.073 0.000 1.131 129 R CA 1.720 57.767 56.100 -0.088 0.000 0.960 129 R CB -0.414 29.848 30.300 -0.064 0.000 0.856 129 R HN 0.632 nan 8.270 nan 0.000 0.436 130 S N 0.560 116.227 115.700 -0.056 0.000 2.356 130 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 130 S C 2.142 176.713 174.600 -0.047 0.000 1.032 130 S CA 1.724 59.899 58.200 -0.041 0.000 1.005 130 S CB -0.581 62.604 63.200 -0.024 0.000 0.867 130 S HN 0.506 nan 8.310 nan 0.000 0.449 131 T N -1.192 113.329 114.554 -0.055 0.000 3.022 131 T HA 0.419 4.769 4.350 -0.000 0.000 0.250 131 T C 0.846 175.502 174.700 -0.073 0.000 1.060 131 T CA 0.230 62.298 62.100 -0.054 0.000 1.013 131 T CB -0.717 68.124 68.868 -0.044 0.000 0.982 131 T HN 0.496 nan 8.240 nan 0.000 0.508 132 L N 0.198 121.355 121.223 -0.111 0.000 3.717 132 L HA -0.188 4.152 4.340 -0.000 0.000 0.414 132 L C -0.030 176.732 176.870 -0.180 0.000 1.228 132 L CA 0.498 55.240 54.840 -0.163 0.000 0.918 132 L CB -1.829 40.158 42.059 -0.119 0.000 1.865 132 L HN 0.380 nan 8.230 nan 0.000 0.922 133 K N -0.483 119.822 120.400 -0.158 0.000 2.139 133 K HA 0.713 5.033 4.320 -0.000 0.000 0.243 133 K C -0.152 176.328 176.600 -0.200 0.000 0.983 133 K CA -0.855 55.385 56.287 -0.079 0.000 0.890 133 K CB 1.225 33.719 32.500 -0.011 0.000 1.090 133 K HN -0.165 nan 8.250 nan 0.000 0.445 134 F N 0.886 120.823 119.950 -0.021 0.000 2.380 134 F HA 0.224 4.750 4.527 -0.000 0.000 0.319 134 F C -1.366 174.428 175.800 -0.010 0.000 1.113 134 F CA -2.060 55.932 58.000 -0.012 0.000 1.056 134 F CB 0.460 39.453 39.000 -0.011 0.000 1.289 134 F HN 0.394 nan 8.300 nan 0.000 0.515 135 P HA -0.191 nan 4.420 nan 0.000 0.215 135 P C 1.166 178.504 177.300 0.063 0.000 1.157 135 P CA 2.376 65.537 63.100 0.102 0.000 0.868 135 P CB -0.035 31.743 31.700 0.129 0.000 0.788 136 A N -0.275 122.596 122.820 0.085 0.000 1.972 136 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 136 A C 2.127 179.713 177.584 0.003 0.000 1.169 136 A CA 1.635 53.694 52.037 0.037 0.000 0.635 136 A CB -1.211 17.818 19.000 0.048 0.000 0.810 136 A HN 0.183 nan 8.150 nan 0.000 0.446 137 E N -0.194 120.030 120.200 0.040 0.000 2.072 137 E HA -0.134 4.215 4.350 -0.000 0.000 0.191 137 E C 1.839 178.424 176.600 -0.025 0.000 0.985 137 E CA 1.176 57.586 56.400 0.017 0.000 0.801 137 E CB -0.280 29.463 29.700 0.072 0.000 0.750 137 E HN 0.722 nan 8.360 nan 0.000 0.452 138 I N 0.949 121.508 120.570 -0.019 0.000 2.076 138 I HA -0.310 3.860 4.170 -0.000 0.000 0.237 138 I C 2.402 178.453 176.117 -0.111 0.000 1.059 138 I CA 1.231 62.508 61.300 -0.038 0.000 1.317 138 I CB -0.416 37.572 38.000 -0.020 0.000 1.037 138 I HN 0.087 nan 8.210 nan 0.000 0.398 139 I N 1.213 121.639 120.570 -0.241 0.000 2.300 139 I HA -0.280 3.890 4.170 -0.000 0.000 0.252 139 I C 2.461 178.407 176.117 -0.285 0.000 1.119 139 I CA 1.708 62.710 61.300 -0.496 0.000 1.384 139 I CB -0.807 36.930 38.000 -0.439 0.000 1.062 139 I HN 0.345 nan 8.210 nan 0.000 0.426 140 G N -0.166 108.543 108.800 -0.153 0.000 2.625 140 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.214 140 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.214 140 G C 1.378 176.192 174.900 -0.143 0.000 1.132 140 G CA 0.299 45.331 45.100 -0.113 0.000 0.782 140 G HN 0.469 nan 8.290 nan 0.000 0.538 141 E N -0.970 119.114 120.200 -0.193 0.000 2.442 141 E HA 0.125 4.475 4.350 -0.000 0.000 0.195 141 E C 1.078 177.343 176.600 -0.558 0.000 1.030 141 E CA 0.127 56.311 56.400 -0.359 0.000 0.869 141 E CB 0.084 29.521 29.700 -0.439 0.000 0.857 141 E HN 0.577 nan 8.360 nan 0.000 0.505 142 F N -0.189 119.588 119.950 -0.289 0.000 2.712 142 F HA 0.279 4.806 4.527 -0.000 0.000 0.297 142 F C 0.625 176.325 175.800 -0.167 0.000 1.114 142 F CA 0.066 57.919 58.000 -0.246 0.000 1.305 142 F CB 0.839 39.608 39.000 -0.384 0.000 1.086 142 F HN -0.191 nan 8.300 nan 0.000 0.599 143 L N 1.668 122.874 121.223 -0.028 0.000 2.408 143 L HA 0.436 4.776 4.340 -0.000 0.000 0.268 143 L C -2.463 174.390 176.870 -0.029 0.000 0.986 143 L CA -2.250 52.585 54.840 -0.008 0.000 0.820 143 L CB 2.188 44.255 42.059 0.014 0.000 1.303 143 L HN -0.319 nan 8.230 nan 0.000 0.411 144 P HA 0.029 nan 4.420 nan 0.000 0.263 144 P C 0.382 177.672 177.300 -0.017 0.000 1.195 144 P CA 0.180 63.267 63.100 -0.022 0.000 0.762 144 P CB 1.044 32.735 31.700 -0.015 0.000 0.799 145 S N 4.980 120.666 115.700 -0.024 0.000 2.380 145 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 145 S C -0.634 173.964 174.600 -0.004 0.000 1.043 145 S CA 1.841 60.031 58.200 -0.016 0.000 1.038 145 S CB -1.792 61.395 63.200 -0.021 0.000 0.872 145 S HN 0.549 nan 8.310 nan 0.000 0.456 146 P HA -0.058 nan 4.420 nan 0.000 0.218 146 P C 0.968 178.273 177.300 0.009 0.000 1.146 146 P CA 0.903 64.004 63.100 0.001 0.000 0.813 146 P CB -0.106 31.592 31.700 -0.003 0.000 0.778 147 L N -2.051 119.179 121.223 0.013 0.000 2.599 147 L HA 0.069 4.408 4.340 -0.000 0.000 0.230 147 L C 0.765 177.661 176.870 0.044 0.000 1.141 147 L CA 0.078 54.933 54.840 0.025 0.000 0.877 147 L CB -0.394 41.681 42.059 0.027 0.000 1.009 147 L HN -0.011 nan 8.230 nan 0.000 0.447 148 L N -1.043 120.203 121.223 0.038 0.000 2.309 148 L HA 0.442 4.782 4.340 -0.000 0.000 0.282 148 L C -0.110 176.789 176.870 0.049 0.000 1.036 148 L CA -0.134 54.738 54.840 0.053 0.000 0.806 148 L CB 1.765 43.846 42.059 0.037 0.000 1.220 148 L HN -0.104 nan 8.230 nan 0.000 0.429 149 S N 1.084 116.824 115.700 0.068 0.000 2.627 149 S HA 0.730 5.200 4.470 -0.000 0.000 0.283 149 S C -0.855 173.792 174.600 0.079 0.000 1.127 149 S CA -0.568 57.670 58.200 0.063 0.000 0.863 149 S CB 2.712 65.949 63.200 0.062 0.000 1.121 149 S HN 0.251 nan 8.310 nan 0.000 0.479 150 V N 2.188 122.145 119.914 0.072 0.000 2.540 150 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 150 V C -0.700 175.454 176.094 0.099 0.000 1.035 150 V CA -0.670 61.682 62.300 0.087 0.000 0.873 150 V CB 1.602 33.462 31.823 0.062 0.000 0.992 150 V HN 0.762 nan 8.190 nan 0.000 0.428 151 L N 4.647 125.950 121.223 0.132 0.000 2.296 151 L HA 0.945 5.285 4.340 -0.000 0.000 0.286 151 L C -0.107 176.874 176.870 0.185 0.000 1.023 151 L CA 0.026 54.962 54.840 0.159 0.000 0.812 151 L CB 1.256 43.427 42.059 0.186 0.000 1.223 151 L HN 0.851 nan 8.230 nan 0.000 0.421 152 A N 3.343 126.249 122.820 0.145 0.000 2.604 152 A HA 0.933 5.253 4.320 -0.000 0.000 0.295 152 A C -0.520 177.102 177.584 0.065 0.000 1.067 152 A CA 0.103 52.207 52.037 0.113 0.000 0.683 152 A CB 1.629 20.666 19.000 0.062 0.000 1.281 152 A HN 1.181 nan 8.150 nan 0.000 0.407 153 G N -0.120 108.698 108.800 0.030 0.000 2.352 153 G HA2 0.492 4.452 3.960 -0.000 0.000 0.302 153 G HA3 0.492 4.452 3.960 -0.000 0.000 0.302 153 G C -3.659 171.209 174.900 -0.054 0.000 1.370 153 G CA -0.561 44.523 45.100 -0.026 0.000 0.918 153 G HN 0.622 nan 8.290 nan 0.000 0.610 154 P HA 0.376 nan 4.420 nan 0.000 0.275 154 P C -0.355 176.865 177.300 -0.132 0.000 1.276 154 P CA -0.137 62.866 63.100 -0.161 0.000 0.782 154 P CB 0.915 32.508 31.700 -0.178 0.000 0.851 155 S N 3.003 118.636 115.700 -0.112 0.000 2.413 155 S HA 0.345 4.815 4.470 -0.000 0.000 0.170 155 S C -0.387 174.308 174.600 0.159 0.000 1.294 155 S CA -0.664 57.572 58.200 0.061 0.000 1.201 155 S CB -0.851 62.498 63.200 0.249 0.000 1.328 155 S HN 0.179 nan 8.310 nan 0.000 0.418 156 F N 2.009 121.988 119.950 0.049 0.000 2.578 156 F HA 0.223 4.750 4.527 -0.000 0.000 0.376 156 F C 1.946 177.814 175.800 0.114 0.000 1.085 156 F CA -0.361 57.666 58.000 0.045 0.000 1.260 156 F CB 0.745 39.769 39.000 0.039 0.000 1.095 156 F HN 0.725 nan 8.300 nan 0.000 0.573 157 A N 4.383 127.395 122.820 0.321 0.000 1.883 157 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 157 A C 2.007 179.720 177.584 0.215 0.000 1.186 157 A CA 1.927 54.142 52.037 0.296 0.000 0.624 157 A CB -0.662 18.493 19.000 0.258 0.000 0.822 157 A HN 0.817 nan 8.150 nan 0.000 0.444 158 I N 0.094 120.756 120.570 0.154 0.000 2.163 158 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 158 I C 2.070 178.272 176.117 0.142 0.000 1.085 158 I CA 2.351 63.721 61.300 0.117 0.000 1.347 158 I CB -0.550 37.490 38.000 0.067 0.000 1.044 158 I HN 0.496 nan 8.210 nan 0.000 0.408 159 E N -0.079 120.232 120.200 0.185 0.000 2.085 159 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 159 E C 2.236 178.946 176.600 0.184 0.000 0.994 159 E CA 1.947 58.457 56.400 0.184 0.000 0.801 159 E CB -0.240 29.587 29.700 0.211 0.000 0.743 159 E HN 0.484 nan 8.360 nan 0.000 0.453 160 V N 1.226 121.274 119.914 0.223 0.000 2.358 160 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 160 V C 2.319 178.489 176.094 0.127 0.000 1.047 160 V CA 1.738 64.174 62.300 0.227 0.000 1.035 160 V CB -0.738 31.267 31.823 0.303 0.000 0.658 160 V HN 0.307 nan 8.190 nan 0.000 0.452 161 A N 0.789 123.679 122.820 0.117 0.000 1.933 161 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 161 A C 2.255 179.877 177.584 0.062 0.000 1.175 161 A CA 2.220 54.299 52.037 0.071 0.000 0.628 161 A CB -0.757 18.291 19.000 0.080 0.000 0.814 161 A HN 0.637 nan 8.150 nan 0.000 0.444 162 T N -4.533 110.070 114.554 0.081 0.000 3.206 162 T HA 0.433 4.783 4.350 -0.000 0.000 0.253 162 T C 1.168 175.919 174.700 0.085 0.000 1.042 162 T CA 0.931 63.074 62.100 0.072 0.000 0.931 162 T CB -0.080 68.829 68.868 0.069 0.000 1.029 162 T HN 1.683 nan 8.240 nan 0.000 0.564 163 G N 0.812 109.671 108.800 0.099 0.000 2.148 163 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 163 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 163 G C 0.031 175.021 174.900 0.150 0.000 0.981 163 G CA -0.029 45.141 45.100 0.117 0.000 0.670 163 G HN 0.708 nan 8.290 nan 0.000 0.528 164 V N 1.201 121.208 119.914 0.154 0.000 2.555 164 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 164 V C 1.123 177.345 176.094 0.214 0.000 1.044 164 V CA -0.616 61.791 62.300 0.179 0.000 1.026 164 V CB 0.822 32.739 31.823 0.157 0.000 0.981 164 V HN 0.384 nan 8.190 nan 0.000 0.480 165 F N 4.619 124.628 119.950 0.098 0.000 2.395 165 F HA -0.011 4.516 4.527 -0.000 0.000 0.421 165 F C 0.675 176.526 175.800 0.085 0.000 0.942 165 F CA 1.165 59.219 58.000 0.091 0.000 1.107 165 F CB -0.104 38.938 39.000 0.069 0.000 0.895 165 F HN 0.578 nan 8.300 nan 0.000 0.522 166 T N 5.775 119.958 114.554 -0.618 0.000 2.952 166 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 166 T C -1.262 173.009 174.700 -0.714 0.000 1.064 166 T CA -0.606 61.215 62.100 -0.465 0.000 1.008 166 T CB 1.018 69.816 68.868 -0.117 0.000 1.078 166 T HN 0.590 nan 8.240 nan 0.000 0.459 167 C N 3.535 122.549 119.300 -0.477 0.000 2.345 167 C HA 0.887 5.347 4.460 -0.000 0.000 0.323 167 C C 0.389 175.246 174.990 -0.221 0.000 1.276 167 C CA -0.771 58.078 59.018 -0.281 0.000 1.543 167 C CB 0.005 27.732 27.740 -0.021 0.000 2.211 167 C HN 0.834 nan 8.230 nan 0.000 0.493 168 V N 1.527 121.311 119.914 -0.217 0.000 3.155 168 V HA 0.999 5.119 4.120 -0.000 0.000 0.313 168 V C -0.250 175.876 176.094 0.052 0.000 1.162 168 V CA -0.464 61.775 62.300 -0.101 0.000 1.048 168 V CB 1.831 33.584 31.823 -0.117 0.000 1.092 168 V HN 0.870 nan 8.190 nan 0.000 0.447 169 S N 1.289 117.027 115.700 0.063 0.000 2.566 169 S HA 0.826 5.296 4.470 -0.000 0.000 0.298 169 S C -0.831 173.826 174.600 0.094 0.000 1.083 169 S CA -0.789 57.477 58.200 0.110 0.000 0.978 169 S CB 1.690 64.932 63.200 0.071 0.000 1.073 169 S HN 0.851 nan 8.310 nan 0.000 0.491 170 I N 1.650 122.278 120.570 0.096 0.000 2.465 170 I HA 0.652 4.822 4.170 -0.000 0.000 0.291 170 I C -0.088 176.068 176.117 0.065 0.000 1.014 170 I CA -0.761 60.588 61.300 0.082 0.000 1.093 170 I CB 1.284 39.330 38.000 0.077 0.000 1.267 170 I HN 0.956 nan 8.210 nan 0.000 0.431 171 A N 4.295 127.147 122.820 0.054 0.000 2.386 171 A HA 0.820 5.140 4.320 -0.000 0.000 0.311 171 A C -0.650 176.952 177.584 0.031 0.000 1.068 171 A CA -0.515 51.543 52.037 0.036 0.000 0.743 171 A CB 1.942 20.953 19.000 0.019 0.000 1.258 171 A HN 0.623 nan 8.150 nan 0.000 0.429 172 S N -0.224 115.490 115.700 0.023 0.000 2.556 172 S HA 0.592 5.062 4.470 -0.000 0.000 0.271 172 S C 1.086 175.692 174.600 0.009 0.000 1.135 172 S CA 0.152 58.363 58.200 0.018 0.000 0.858 172 S CB 1.682 64.896 63.200 0.023 0.000 1.114 172 S HN 1.759 nan 8.310 nan 0.000 0.468 173 A N 1.988 124.810 122.820 0.004 0.000 1.884 173 A HA -0.074 4.245 4.320 -0.000 0.000 0.219 173 A C 0.807 178.392 177.584 0.002 0.000 1.197 173 A CA 1.869 53.904 52.037 -0.002 0.000 0.637 173 A CB -0.632 18.365 19.000 -0.005 0.000 0.827 173 A HN 0.745 nan 8.150 nan 0.000 0.450 174 D N -0.926 119.477 120.400 0.005 0.000 2.339 174 D HA 0.288 4.928 4.640 -0.000 0.000 0.241 174 D C 0.797 177.104 176.300 0.012 0.000 1.183 174 D CA -0.502 53.503 54.000 0.007 0.000 0.859 174 D CB 0.615 41.418 40.800 0.006 0.000 1.067 174 D HN 0.089 nan 8.370 nan 0.000 0.484 175 I N 4.382 124.960 120.570 0.013 0.000 2.236 175 I HA -0.299 3.871 4.170 -0.000 0.000 0.249 175 I C 1.580 177.707 176.117 0.017 0.000 1.102 175 I CA 1.310 62.621 61.300 0.018 0.000 1.365 175 I CB -0.207 37.804 38.000 0.019 0.000 1.051 175 I HN 0.458 nan 8.210 nan 0.000 0.420 176 N N -0.219 118.489 118.700 0.013 0.000 2.364 176 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 176 N C 1.897 177.414 175.510 0.012 0.000 1.022 176 N CA 1.348 54.405 53.050 0.011 0.000 0.883 176 N CB -0.165 38.327 38.487 0.009 0.000 0.965 176 N HN 0.310 nan 8.380 nan 0.000 0.438 177 V N 1.239 121.161 119.914 0.014 0.000 2.488 177 V HA -0.052 4.067 4.120 -0.000 0.000 0.246 177 V C 2.388 178.494 176.094 0.020 0.000 1.046 177 V CA 1.397 63.706 62.300 0.016 0.000 1.053 177 V CB -0.621 31.212 31.823 0.017 0.000 0.679 177 V HN 0.234 nan 8.190 nan 0.000 0.458 178 A N 0.175 123.008 122.820 0.023 0.000 1.930 178 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 178 A C 2.351 179.948 177.584 0.021 0.000 1.175 178 A CA 1.522 53.576 52.037 0.028 0.000 0.627 178 A CB -0.413 18.607 19.000 0.033 0.000 0.815 178 A HN 0.500 nan 8.150 nan 0.000 0.443 179 R N -1.062 119.446 120.500 0.014 0.000 2.115 179 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 179 R C 2.422 178.721 176.300 -0.002 0.000 1.111 179 R CA 1.375 57.477 56.100 0.003 0.000 0.976 179 R CB -0.221 30.081 30.300 0.002 0.000 0.870 179 R HN 0.582 nan 8.270 nan 0.000 0.445 180 R N 0.630 121.133 120.500 0.004 0.000 2.119 180 R HA 0.002 4.342 4.340 -0.000 0.000 0.222 180 R C 1.840 178.141 176.300 0.002 0.000 1.088 180 R CA 0.772 56.873 56.100 0.002 0.000 0.984 180 R CB 0.114 30.418 30.300 0.007 0.000 0.884 180 R HN 0.114 nan 8.270 nan 0.000 0.447 181 L N 0.734 121.964 121.223 0.011 0.000 2.179 181 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 181 L C 2.411 179.290 176.870 0.014 0.000 1.096 181 L CA 1.380 56.230 54.840 0.017 0.000 0.779 181 L CB -1.011 41.068 42.059 0.034 0.000 0.922 181 L HN 0.439 nan 8.230 nan 0.000 0.443 182 Q N 0.373 120.178 119.800 0.007 0.000 2.226 182 Q HA -0.179 4.160 4.340 -0.000 0.000 0.204 182 Q C 2.002 177.984 176.000 -0.029 0.000 0.975 182 Q CA 1.319 57.116 55.803 -0.009 0.000 0.866 182 Q CB 0.194 28.916 28.738 -0.028 0.000 0.915 182 Q HN 0.415 nan 8.270 nan 0.000 0.440 183 R N -0.759 119.722 120.500 -0.032 0.000 2.280 183 R HA 0.152 4.492 4.340 -0.000 0.000 0.195 183 R C 1.671 177.923 176.300 -0.080 0.000 0.935 183 R CA 0.257 56.326 56.100 -0.052 0.000 1.033 183 R CB 0.423 30.701 30.300 -0.036 0.000 0.964 183 R HN 0.321 nan 8.270 nan 0.000 0.489 184 I N -0.142 120.391 120.570 -0.061 0.000 3.265 184 I HA -0.036 4.133 4.170 -0.000 0.000 0.282 184 I C 1.631 177.693 176.117 -0.090 0.000 1.207 184 I CA 0.428 61.675 61.300 -0.088 0.000 1.449 184 I CB 0.259 38.231 38.000 -0.047 0.000 1.121 184 I HN 0.053 nan 8.210 nan 0.000 0.442 185 M N -0.381 119.205 119.600 -0.024 0.000 2.516 185 M HA 0.165 4.645 4.480 -0.000 0.000 0.259 185 M C 0.956 177.330 176.300 0.123 0.000 1.146 185 M CA 0.485 55.804 55.300 0.033 0.000 1.122 185 M CB -0.582 32.106 32.600 0.147 0.000 1.341 185 M HN -0.119 nan 8.290 nan 0.000 0.478 186 S N 2.227 117.968 115.700 0.068 0.000 2.510 186 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 186 S C 0.710 175.315 174.600 0.007 0.000 1.284 186 S CA -0.342 57.903 58.200 0.075 0.000 1.059 186 S CB 0.603 63.793 63.200 -0.018 0.000 0.901 186 S HN 0.506 nan 8.310 nan 0.000 0.491 187 T N 0.732 115.329 114.554 0.071 0.000 2.849 187 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 187 T C 1.571 176.300 174.700 0.049 0.000 1.004 187 T CA -0.427 61.694 62.100 0.034 0.000 1.021 187 T CB 1.022 69.938 68.868 0.079 0.000 1.013 187 T HN 0.512 nan 8.240 nan 0.000 0.527 188 G N 0.614 109.461 108.800 0.079 0.000 2.471 188 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 188 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 188 G C 0.952 175.914 174.900 0.104 0.000 1.125 188 G CA 0.689 45.865 45.100 0.126 0.000 0.775 188 G HN 0.923 nan 8.290 nan 0.000 0.548 189 D N -0.545 119.917 120.400 0.103 0.000 2.342 189 D HA 0.022 4.661 4.640 -0.000 0.000 0.221 189 D C 0.869 177.245 176.300 0.126 0.000 1.101 189 D CA -0.516 53.546 54.000 0.103 0.000 0.837 189 D CB -0.146 40.714 40.800 0.100 0.000 0.938 189 D HN 0.067 nan 8.370 nan 0.000 0.508 190 R N 0.138 120.716 120.500 0.129 0.000 3.525 190 R HA -0.165 4.174 4.340 -0.000 0.000 0.276 190 R C 0.957 177.425 176.300 0.280 0.000 1.116 190 R CA 0.973 57.176 56.100 0.172 0.000 0.745 190 R CB -3.158 27.244 30.300 0.169 0.000 1.185 190 R HN 0.509 nan 8.270 nan 0.000 0.454 191 S N -1.494 114.344 115.700 0.230 0.000 2.503 191 S HA 0.134 4.604 4.470 -0.000 0.000 0.217 191 S C 0.381 175.059 174.600 0.131 0.000 0.999 191 S CA -0.105 58.250 58.200 0.259 0.000 0.914 191 S CB 0.305 63.636 63.200 0.219 0.000 0.782 191 S HN 0.301 nan 8.310 nan 0.000 0.520 192 F N 2.127 122.049 119.950 -0.047 0.000 2.500 192 F HA 0.620 5.147 4.527 -0.000 0.000 0.349 192 F C -1.233 174.508 175.800 -0.099 0.000 1.127 192 F CA -0.931 57.008 58.000 -0.101 0.000 0.998 192 F CB 1.750 40.719 39.000 -0.052 0.000 1.237 192 F HN -0.135 nan 8.300 nan 0.000 0.439 193 V N 5.216 124.903 119.914 -0.377 0.000 2.384 193 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 193 V C -0.500 175.408 176.094 -0.310 0.000 1.020 193 V CA -0.729 61.410 62.300 -0.268 0.000 0.850 193 V CB 1.327 33.050 31.823 -0.167 0.000 0.987 193 V HN 0.841 nan 8.190 nan 0.000 0.436 194 C N 4.806 123.946 119.300 -0.266 0.000 2.319 194 C HA 0.588 5.048 4.460 -0.000 0.000 0.335 194 C C -0.477 174.390 174.990 -0.205 0.000 1.274 194 C CA -1.008 57.927 59.018 -0.137 0.000 1.806 194 C CB 0.231 27.948 27.740 -0.038 0.000 2.329 194 C HN 0.864 nan 8.230 nan 0.000 0.524 195 W N 1.997 123.256 121.300 -0.069 0.000 2.520 195 W HA 0.610 5.269 4.660 -0.000 0.000 0.323 195 W C 0.211 176.718 176.519 -0.019 0.000 1.062 195 W CA -0.453 56.872 57.345 -0.035 0.000 1.215 195 W CB 0.724 30.164 29.460 -0.033 0.000 1.340 195 W HN 0.837 nan 8.180 nan 0.000 0.516 196 A N 2.140 125.059 122.820 0.165 0.000 2.327 196 A HA 0.745 5.064 4.320 -0.000 0.000 0.283 196 A C -0.093 177.555 177.584 0.107 0.000 1.127 196 A CA -0.068 52.032 52.037 0.104 0.000 0.810 196 A CB 0.985 20.019 19.000 0.057 0.000 1.066 196 A HN 0.575 nan 8.150 nan 0.000 0.492 197 T N -1.002 113.596 114.554 0.073 0.000 2.821 197 T HA 0.500 4.850 4.350 -0.000 0.000 0.306 197 T C 0.678 175.396 174.700 0.031 0.000 1.313 197 T CA 0.348 62.479 62.100 0.051 0.000 1.012 197 T CB 1.140 70.034 68.868 0.043 0.000 1.298 197 T HN 1.090 nan 8.240 nan 0.000 0.502 198 T N -1.119 113.446 114.554 0.017 0.000 3.040 198 T HA 0.233 4.582 4.350 -0.000 0.000 0.250 198 T C 0.532 175.227 174.700 -0.009 0.000 1.058 198 T CA 0.038 62.142 62.100 0.006 0.000 0.988 198 T CB -0.073 68.797 68.868 0.003 0.000 0.993 198 T HN 0.482 nan 8.240 nan 0.000 0.519 199 D N 3.527 123.918 120.400 -0.015 0.000 2.600 199 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 199 D C 1.713 177.984 176.300 -0.049 0.000 1.119 199 D CA 0.230 54.207 54.000 -0.038 0.000 1.051 199 D CB 0.304 41.075 40.800 -0.048 0.000 1.106 199 D HN 0.483 nan 8.370 nan 0.000 0.491 200 T N -2.058 112.469 114.554 -0.045 0.000 2.746 200 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 200 T C 1.991 176.632 174.700 -0.099 0.000 1.039 200 T CA 1.026 63.097 62.100 -0.049 0.000 1.142 200 T CB -0.360 68.489 68.868 -0.032 0.000 0.866 200 T HN 0.109 nan 8.240 nan 0.000 0.444 201 V N 2.077 121.913 119.914 -0.130 0.000 2.270 201 V HA 0.027 4.146 4.120 -0.000 0.000 0.245 201 V C 3.153 179.097 176.094 -0.249 0.000 1.043 201 V CA 1.857 64.025 62.300 -0.220 0.000 1.014 201 V CB -1.556 30.154 31.823 -0.188 0.000 0.645 201 V HN 0.677 nan 8.190 nan 0.000 0.447 202 G N -0.994 107.702 108.800 -0.174 0.000 2.476 202 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 202 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 202 G C 1.777 176.586 174.900 -0.152 0.000 1.164 202 G CA 1.452 46.452 45.100 -0.166 0.000 0.768 202 G HN 0.520 nan 8.290 nan 0.000 0.560 203 C N 0.438 119.670 119.300 -0.114 0.000 2.393 203 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 203 C C 2.829 177.771 174.990 -0.081 0.000 1.215 203 C CA 1.283 60.257 59.018 -0.074 0.000 1.743 203 C CB -0.926 26.795 27.740 -0.031 0.000 2.044 203 C HN 0.590 nan 8.230 nan 0.000 0.464 204 E N 0.071 120.187 120.200 -0.140 0.000 2.106 204 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 204 E C 2.168 178.647 176.600 -0.203 0.000 0.984 204 E CA 1.167 57.481 56.400 -0.143 0.000 0.806 204 E CB -0.182 29.389 29.700 -0.215 0.000 0.750 204 E HN 0.516 nan 8.360 nan 0.000 0.458 205 V N 1.714 121.398 119.914 -0.384 0.000 2.237 205 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 205 V C 2.459 178.532 176.094 -0.035 0.000 1.046 205 V CA 1.928 64.097 62.300 -0.218 0.000 1.007 205 V CB -0.876 30.803 31.823 -0.241 0.000 0.638 205 V HN 0.304 nan 8.190 nan 0.000 0.445 206 A N -0.250 122.527 122.820 -0.073 0.000 1.903 206 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 206 A C 2.472 180.059 177.584 0.005 0.000 1.191 206 A CA 2.673 54.685 52.037 -0.041 0.000 0.638 206 A CB -0.951 18.008 19.000 -0.067 0.000 0.823 206 A HN 0.522 nan 8.150 nan 0.000 0.451 207 S N -0.608 115.106 115.700 0.022 0.000 2.383 207 S HA -0.032 4.437 4.470 -0.000 0.000 0.229 207 S C 2.221 176.871 174.600 0.083 0.000 1.030 207 S CA 1.299 59.530 58.200 0.051 0.000 1.002 207 S CB -0.394 62.850 63.200 0.074 0.000 0.829 207 S HN 0.831 nan 8.310 nan 0.000 0.467 208 A N 0.713 123.617 122.820 0.140 0.000 1.878 208 A HA 0.084 4.404 4.320 -0.000 0.000 0.213 208 A C 2.275 179.922 177.584 0.104 0.000 1.192 208 A CA 0.986 53.115 52.037 0.153 0.000 0.619 208 A CB -0.671 18.498 19.000 0.282 0.000 0.837 208 A HN 0.331 nan 8.150 nan 0.000 0.446 209 V N 1.731 121.704 119.914 0.099 0.000 2.548 209 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 209 V C 2.541 178.666 176.094 0.051 0.000 1.055 209 V CA 2.143 64.483 62.300 0.068 0.000 1.065 209 V CB -0.825 31.030 31.823 0.053 0.000 0.681 209 V HN 0.841 nan 8.190 nan 0.000 0.462 210 K N 0.622 121.047 120.400 0.043 0.000 2.113 210 K HA -0.253 4.066 4.320 -0.000 0.000 0.208 210 K C 1.729 178.361 176.600 0.053 0.000 1.047 210 K CA 2.135 58.445 56.287 0.038 0.000 0.928 210 K CB -0.525 31.990 32.500 0.024 0.000 0.716 210 K HN 0.406 nan 8.250 nan 0.000 0.446 211 N N 0.878 119.613 118.700 0.058 0.000 2.309 211 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 211 N C 1.851 177.399 175.510 0.065 0.000 1.018 211 N CA 1.222 54.311 53.050 0.064 0.000 0.876 211 N CB -0.051 38.473 38.487 0.061 0.000 0.972 211 N HN 0.115 nan 8.380 nan 0.000 0.434 212 V N 1.464 121.416 119.914 0.063 0.000 2.346 212 V HA -0.063 4.057 4.120 -0.000 0.000 0.244 212 V C 2.429 178.556 176.094 0.054 0.000 1.037 212 V CA 0.777 63.116 62.300 0.065 0.000 1.029 212 V CB -0.378 31.486 31.823 0.069 0.000 0.663 212 V HN 0.178 nan 8.190 nan 0.000 0.454 213 L N 0.477 121.730 121.223 0.051 0.000 2.079 213 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 213 L C 2.620 179.518 176.870 0.047 0.000 1.081 213 L CA 1.628 56.494 54.840 0.045 0.000 0.752 213 L CB -0.688 41.397 42.059 0.043 0.000 0.896 213 L HN 0.388 nan 8.230 nan 0.000 0.433 214 A N -0.422 122.436 122.820 0.064 0.000 2.121 214 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 214 A C 2.159 179.772 177.584 0.048 0.000 1.154 214 A CA 1.103 53.196 52.037 0.093 0.000 0.679 214 A CB -0.506 18.570 19.000 0.127 0.000 0.795 214 A HN 0.408 nan 8.150 nan 0.000 0.458 215 I N -0.916 119.664 120.570 0.016 0.000 2.584 215 I HA -0.081 4.088 4.170 -0.000 0.000 0.255 215 I C 2.573 178.637 176.117 -0.088 0.000 1.145 215 I CA 0.787 62.065 61.300 -0.037 0.000 1.462 215 I CB -0.299 37.697 38.000 -0.007 0.000 1.102 215 I HN 0.394 nan 8.210 nan 0.000 0.433 216 G N -0.281 108.492 108.800 -0.044 0.000 2.422 216 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 216 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 216 G C 1.748 176.590 174.900 -0.098 0.000 1.146 216 G CA 0.983 46.052 45.100 -0.052 0.000 0.769 216 G HN 0.324 nan 8.290 nan 0.000 0.547 217 S N 0.255 115.900 115.700 -0.091 0.000 2.368 217 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 217 S C 2.524 176.840 174.600 -0.474 0.000 1.030 217 S CA 1.801 59.940 58.200 -0.102 0.000 0.999 217 S CB -0.671 62.594 63.200 0.109 0.000 0.844 217 S HN 0.486 nan 8.310 nan 0.000 0.459 218 G N 0.815 109.146 108.800 -0.782 0.000 2.421 218 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 218 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 218 G C 1.503 176.105 174.900 -0.497 0.000 1.171 218 G CA 1.070 45.512 45.100 -1.096 0.000 0.775 218 G HN 0.440 nan 8.290 nan 0.000 0.543 219 V N 1.770 121.515 119.914 -0.281 0.000 2.252 219 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 219 V C 3.385 179.397 176.094 -0.138 0.000 1.056 219 V CA 2.327 64.529 62.300 -0.163 0.000 1.022 219 V CB -1.072 30.690 31.823 -0.102 0.000 0.641 219 V HN 0.507 nan 8.190 nan 0.000 0.445 220 A N 0.431 123.176 122.820 -0.125 0.000 1.903 220 A HA -0.360 3.960 4.320 -0.000 0.000 0.219 220 A C 2.206 179.757 177.584 -0.055 0.000 1.191 220 A CA 2.511 54.508 52.037 -0.067 0.000 0.638 220 A CB -0.942 18.037 19.000 -0.035 0.000 0.823 220 A HN 0.651 nan 8.150 nan 0.000 0.451 221 N N 0.159 118.805 118.700 -0.090 0.000 2.142 221 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 221 N C 1.884 177.386 175.510 -0.014 0.000 1.023 221 N CA 1.820 54.867 53.050 -0.006 0.000 0.852 221 N CB -0.628 37.909 38.487 0.083 0.000 0.998 221 N HN 0.364 nan 8.380 nan 0.000 0.424 222 G N 0.457 109.215 108.800 -0.070 0.000 2.471 222 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 222 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 222 G C 1.344 176.229 174.900 -0.026 0.000 1.125 222 G CA 0.118 45.193 45.100 -0.041 0.000 0.775 222 G HN 0.277 nan 8.290 nan 0.000 0.548 223 L N 0.270 121.474 121.223 -0.031 0.000 2.591 223 L HA 0.330 4.670 4.340 -0.000 0.000 0.228 223 L C 2.102 178.969 176.870 -0.005 0.000 1.133 223 L CA 0.886 55.714 54.840 -0.020 0.000 0.880 223 L CB -0.098 41.947 42.059 -0.024 0.000 1.033 223 L HN 0.396 nan 8.230 nan 0.000 0.450 224 G N -1.655 107.147 108.800 0.003 0.000 2.194 224 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.236 224 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.236 224 G C 0.625 175.537 174.900 0.019 0.000 0.987 224 G CA 0.274 45.382 45.100 0.013 0.000 0.635 224 G HN 0.274 nan 8.290 nan 0.000 0.520 225 M N 0.555 120.166 119.600 0.017 0.000 2.167 225 M HA 0.490 4.970 4.480 -0.000 0.000 0.300 225 M C 1.428 177.753 176.300 0.040 0.000 1.171 225 M CA 1.152 56.466 55.300 0.024 0.000 1.171 225 M CB 0.476 33.086 32.600 0.017 0.000 1.396 225 M HN 0.319 nan 8.290 nan 0.000 0.466 226 G N -0.158 108.667 108.800 0.042 0.000 3.212 226 G HA2 0.520 4.480 3.960 -0.000 0.000 0.188 226 G HA3 0.520 4.480 3.960 -0.000 0.000 0.188 226 G C 0.298 175.232 174.900 0.057 0.000 1.254 226 G CA -0.695 44.435 45.100 0.051 0.000 0.957 226 G HN 0.704 nan 8.290 nan 0.000 0.596 227 L N 0.311 121.564 121.223 0.050 0.000 2.217 227 L HA 0.005 4.345 4.340 -0.000 0.000 0.211 227 L C 2.489 179.384 176.870 0.041 0.000 1.107 227 L CA 0.495 55.365 54.840 0.050 0.000 0.783 227 L CB -0.316 41.767 42.059 0.040 0.000 0.919 227 L HN 0.282 nan 8.230 nan 0.000 0.442 228 N N 0.966 119.686 118.700 0.033 0.000 2.084 228 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 228 N C 2.007 177.535 175.510 0.030 0.000 1.030 228 N CA 1.606 54.673 53.050 0.027 0.000 0.849 228 N CB -0.425 38.075 38.487 0.022 0.000 1.012 228 N HN 0.298 nan 8.380 nan 0.000 0.423 229 A N 1.493 124.333 122.820 0.032 0.000 1.873 229 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 229 A C 2.274 179.881 177.584 0.039 0.000 1.193 229 A CA 1.820 53.876 52.037 0.031 0.000 0.629 229 A CB -0.663 18.355 19.000 0.030 0.000 0.826 229 A HN 0.315 nan 8.150 nan 0.000 0.447 230 R N -0.461 120.071 120.500 0.053 0.000 2.081 230 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 230 R C 2.313 178.646 176.300 0.056 0.000 1.131 230 R CA 1.494 57.635 56.100 0.068 0.000 0.960 230 R CB -0.464 29.898 30.300 0.103 0.000 0.856 230 R HN 0.436 nan 8.270 nan 0.000 0.436 231 A N 0.849 123.697 122.820 0.046 0.000 1.908 231 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 231 A C 2.366 179.971 177.584 0.034 0.000 1.181 231 A CA 1.849 53.908 52.037 0.037 0.000 0.627 231 A CB -0.808 18.209 19.000 0.029 0.000 0.818 231 A HN 0.562 nan 8.150 nan 0.000 0.445 232 A N -0.629 122.210 122.820 0.031 0.000 1.969 232 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 232 A C 2.181 179.785 177.584 0.032 0.000 1.169 232 A CA 1.403 53.457 52.037 0.029 0.000 0.635 232 A CB -0.550 18.464 19.000 0.024 0.000 0.810 232 A HN 0.680 nan 8.150 nan 0.000 0.445 233 L N -0.571 120.673 121.223 0.035 0.000 2.056 233 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 233 L C 2.280 179.174 176.870 0.040 0.000 1.078 233 L CA 1.560 56.421 54.840 0.035 0.000 0.749 233 L CB -0.237 41.843 42.059 0.035 0.000 0.901 233 L HN 0.395 nan 8.230 nan 0.000 0.433 234 I N -0.676 119.921 120.570 0.044 0.000 2.226 234 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 234 I C 2.586 178.732 176.117 0.049 0.000 1.100 234 I CA 1.434 62.761 61.300 0.044 0.000 1.374 234 I CB -0.288 37.738 38.000 0.043 0.000 1.057 234 I HN 0.430 nan 8.210 nan 0.000 0.413 235 M N 0.411 120.041 119.600 0.050 0.000 2.099 235 M HA -0.157 4.322 4.480 -0.000 0.000 0.262 235 M C 2.438 178.777 176.300 0.064 0.000 1.067 235 M CA 1.802 57.139 55.300 0.062 0.000 1.124 235 M CB -0.501 32.126 32.600 0.044 0.000 1.353 235 M HN 0.122 nan 8.290 nan 0.000 0.410 236 R N -0.089 120.440 120.500 0.047 0.000 2.090 236 R HA 0.015 4.354 4.340 -0.000 0.000 0.228 236 R C 2.298 178.621 176.300 0.038 0.000 1.110 236 R CA 1.446 57.571 56.100 0.042 0.000 0.973 236 R CB -1.755 28.565 30.300 0.033 0.000 0.869 236 R HN 0.548 nan 8.270 nan 0.000 0.440 237 G N 1.575 110.397 108.800 0.035 0.000 2.442 237 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 237 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 237 G C 1.462 176.372 174.900 0.016 0.000 1.141 237 G CA 0.444 45.561 45.100 0.028 0.000 0.763 237 G HN 0.197 nan 8.290 nan 0.000 0.554 238 L N 0.455 121.692 121.223 0.022 0.000 2.079 238 L HA 0.051 4.391 4.340 -0.000 0.000 0.210 238 L C 2.794 179.641 176.870 -0.040 0.000 1.081 238 L CA 1.187 56.020 54.840 -0.011 0.000 0.752 238 L CB -0.321 41.764 42.059 0.044 0.000 0.896 238 L HN 0.221 nan 8.230 nan 0.000 0.433 239 L N -1.098 120.134 121.223 0.015 0.000 2.079 239 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 239 L C 2.420 179.278 176.870 -0.019 0.000 1.081 239 L CA 1.417 56.263 54.840 0.010 0.000 0.752 239 L CB -0.673 41.409 42.059 0.039 0.000 0.896 239 L HN 0.362 nan 8.230 nan 0.000 0.433 240 E N 0.327 120.521 120.200 -0.010 0.000 2.072 240 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 240 E C 2.300 178.884 176.600 -0.028 0.000 0.985 240 E CA 1.109 57.503 56.400 -0.009 0.000 0.801 240 E CB -0.085 29.620 29.700 0.009 0.000 0.750 240 E HN 0.498 nan 8.360 nan 0.000 0.452 241 I N 0.983 121.525 120.570 -0.047 0.000 2.252 241 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 241 I C 2.778 178.826 176.117 -0.115 0.000 1.102 241 I CA 0.949 62.204 61.300 -0.074 0.000 1.385 241 I CB -0.225 37.719 38.000 -0.094 0.000 1.064 241 I HN 0.046 nan 8.210 nan 0.000 0.414 242 R N 0.988 121.400 120.500 -0.147 0.000 2.096 242 R HA -0.193 4.146 4.340 -0.000 0.000 0.235 242 R C 1.587 177.828 176.300 -0.097 0.000 1.127 242 R CA 1.966 57.966 56.100 -0.167 0.000 0.968 242 R CB -0.196 29.988 30.300 -0.193 0.000 0.861 242 R HN 0.306 nan 8.270 nan 0.000 0.440 243 D N 0.682 121.044 120.400 -0.063 0.000 2.194 243 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 243 D C 1.821 178.097 176.300 -0.041 0.000 0.964 243 D CA 0.588 54.562 54.000 -0.042 0.000 0.846 243 D CB -0.098 40.687 40.800 -0.026 0.000 0.962 243 D HN 0.196 nan 8.370 nan 0.000 0.490 244 L N 0.792 121.991 121.223 -0.040 0.000 2.109 244 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 244 L C 2.076 178.915 176.870 -0.052 0.000 1.086 244 L CA 1.607 56.431 54.840 -0.027 0.000 0.760 244 L CB -0.864 41.194 42.059 -0.002 0.000 0.910 244 L HN -0.113 nan 8.230 nan 0.000 0.437 245 T N -0.019 114.485 114.554 -0.084 0.000 2.708 245 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 245 T C 1.927 176.573 174.700 -0.089 0.000 1.037 245 T CA 1.417 63.449 62.100 -0.113 0.000 1.146 245 T CB -0.468 68.317 68.868 -0.138 0.000 0.865 245 T HN 0.532 nan 8.240 nan 0.000 0.435 246 A N 1.518 124.295 122.820 -0.071 0.000 1.883 246 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 246 A C 2.627 180.185 177.584 -0.044 0.000 1.186 246 A CA 2.038 54.043 52.037 -0.054 0.000 0.624 246 A CB -1.169 17.805 19.000 -0.043 0.000 0.822 246 A HN 0.524 nan 8.150 nan 0.000 0.444 247 A N -0.867 121.930 122.820 -0.038 0.000 2.019 247 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 247 A C 1.907 179.476 177.584 -0.026 0.000 1.164 247 A CA 1.406 53.426 52.037 -0.028 0.000 0.644 247 A CB -0.455 18.533 19.000 -0.021 0.000 0.805 247 A HN 0.472 nan 8.150 nan 0.000 0.449 248 L N -1.745 119.456 121.223 -0.037 0.000 2.592 248 L HA 0.285 4.624 4.340 -0.000 0.000 0.227 248 L C 1.630 178.471 176.870 -0.048 0.000 1.127 248 L CA 0.608 55.426 54.840 -0.036 0.000 0.884 248 L CB 0.199 42.225 42.059 -0.055 0.000 1.065 248 L HN 0.536 nan 8.230 nan 0.000 0.457 249 G N -0.641 108.129 108.800 -0.050 0.000 2.195 249 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 249 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 249 G C 0.621 175.488 174.900 -0.056 0.000 0.990 249 G CA -0.336 44.736 45.100 -0.046 0.000 0.639 249 G HN 0.483 nan 8.290 nan 0.000 0.514 250 G N 0.448 109.203 108.800 -0.075 0.000 2.544 250 G HA2 0.459 4.419 3.960 -0.000 0.000 0.242 250 G HA3 0.459 4.419 3.960 -0.000 0.000 0.242 250 G C 0.681 175.542 174.900 -0.064 0.000 1.247 250 G CA 0.693 45.745 45.100 -0.080 0.000 0.840 250 G HN 0.640 nan 8.290 nan 0.000 0.578 251 D N -1.394 118.973 120.400 -0.055 0.000 2.347 251 D HA 0.184 4.824 4.640 -0.000 0.000 0.213 251 D C 1.759 178.031 176.300 -0.048 0.000 0.985 251 D CA 0.824 54.799 54.000 -0.042 0.000 0.879 251 D CB 0.013 40.796 40.800 -0.028 0.000 0.919 251 D HN 0.956 nan 8.370 nan 0.000 0.526 252 G N 0.090 108.848 108.800 -0.071 0.000 2.184 252 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 252 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 252 G C 1.277 176.126 174.900 -0.086 0.000 0.975 252 G CA 0.930 45.973 45.100 -0.096 0.000 0.642 252 G HN 0.729 nan 8.290 nan 0.000 0.536 253 S N -0.442 115.229 115.700 -0.047 0.000 2.507 253 S HA 0.383 4.853 4.470 -0.000 0.000 0.235 253 S C 2.310 176.890 174.600 -0.032 0.000 0.988 253 S CA 1.257 59.446 58.200 -0.019 0.000 0.944 253 S CB -0.031 63.170 63.200 0.002 0.000 0.762 253 S HN 1.674 nan 8.310 nan 0.000 0.526 254 A N 1.069 123.850 122.820 -0.065 0.000 2.132 254 A HA 0.357 4.677 4.320 -0.000 0.000 0.213 254 A C 2.129 179.643 177.584 -0.117 0.000 1.154 254 A CA 0.583 52.577 52.037 -0.071 0.000 0.753 254 A CB -0.591 18.368 19.000 -0.068 0.000 0.826 254 A HN 0.394 nan 8.150 nan 0.000 0.469 255 V N -1.055 118.741 119.914 -0.197 0.000 2.255 255 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 255 V C 1.818 177.669 176.094 -0.405 0.000 1.051 255 V CA 1.942 64.020 62.300 -0.369 0.000 1.018 255 V CB -0.895 30.572 31.823 -0.593 0.000 0.641 255 V HN 0.644 nan 8.190 nan 0.000 0.445 256 F N 0.084 120.002 119.950 -0.054 0.000 2.664 256 F HA 0.439 4.965 4.527 -0.000 0.000 0.301 256 F C 1.329 177.084 175.800 -0.075 0.000 1.126 256 F CA 0.105 58.070 58.000 -0.059 0.000 1.373 256 F CB -0.127 38.840 39.000 -0.055 0.000 1.042 256 F HN 0.205 nan 8.300 nan 0.000 0.535 257 G N -0.263 108.552 108.800 0.024 0.000 3.008 257 G HA2 0.328 4.288 3.960 -0.000 0.000 0.181 257 G HA3 0.328 4.288 3.960 -0.000 0.000 0.181 257 G C 0.815 175.664 174.900 -0.084 0.000 1.309 257 G CA -0.540 44.534 45.100 -0.044 0.000 1.009 257 G HN 0.059 nan 8.290 nan 0.000 0.584 258 L N 0.226 121.370 121.223 -0.132 0.000 2.046 258 L HA -0.082 4.257 4.340 -0.000 0.000 0.208 258 L C 3.284 180.103 176.870 -0.086 0.000 1.077 258 L CA 1.633 56.392 54.840 -0.135 0.000 0.747 258 L CB -0.339 41.615 42.059 -0.174 0.000 0.896 258 L HN 0.535 nan 8.230 nan 0.000 0.432 259 A N -0.400 122.381 122.820 -0.064 0.000 1.968 259 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 259 A C 2.094 179.643 177.584 -0.060 0.000 1.169 259 A CA 1.514 53.523 52.037 -0.047 0.000 0.638 259 A CB -0.811 18.167 19.000 -0.036 0.000 0.812 259 A HN 0.441 nan 8.150 nan 0.000 0.446 260 G N -0.459 108.296 108.800 -0.076 0.000 2.568 260 G HA2 0.227 4.186 3.960 -0.000 0.000 0.212 260 G HA3 0.227 4.186 3.960 -0.000 0.000 0.212 260 G C 1.306 176.172 174.900 -0.057 0.000 1.821 260 G CA 0.468 45.515 45.100 -0.088 0.000 0.904 260 G HN 0.546 nan 8.290 nan 0.000 0.566 261 L N 1.857 123.063 121.223 -0.029 0.000 2.051 261 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 261 L C 2.602 179.460 176.870 -0.021 0.000 1.076 261 L CA 2.902 57.750 54.840 0.014 0.000 0.758 261 L CB -1.167 40.943 42.059 0.084 0.000 0.890 261 L HN 0.287 nan 8.230 nan 0.000 0.433 262 G N -1.055 107.717 108.800 -0.048 0.000 2.480 262 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.216 262 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.216 262 G C 1.400 176.247 174.900 -0.089 0.000 1.200 262 G CA 0.868 45.923 45.100 -0.076 0.000 0.782 262 G HN 0.496 nan 8.290 nan 0.000 0.554 263 D N -0.260 120.090 120.400 -0.083 0.000 2.183 263 D HA -0.043 4.596 4.640 -0.000 0.000 0.203 263 D C 2.414 178.672 176.300 -0.070 0.000 0.969 263 D CA 0.306 54.250 54.000 -0.093 0.000 0.842 263 D CB -0.136 40.622 40.800 -0.070 0.000 0.957 263 D HN 0.182 nan 8.370 nan 0.000 0.484 264 L N 0.925 122.122 121.223 -0.043 0.000 2.027 264 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 264 L C 2.386 179.252 176.870 -0.008 0.000 1.074 264 L CA 2.035 56.866 54.840 -0.015 0.000 0.745 264 L CB -1.076 40.979 42.059 -0.007 0.000 0.898 264 L HN 0.035 nan 8.230 nan 0.000 0.433 265 Q N -0.540 119.248 119.800 -0.020 0.000 2.050 265 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 265 Q C 2.108 178.087 176.000 -0.035 0.000 0.980 265 Q CA 2.443 58.239 55.803 -0.013 0.000 0.840 265 Q CB -1.196 27.532 28.738 -0.017 0.000 0.898 265 Q HN 0.450 nan 8.270 nan 0.000 0.424 266 L N 0.888 122.050 121.223 -0.101 0.000 1.970 266 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 266 L C 2.189 178.993 176.870 -0.109 0.000 1.071 266 L CA 2.737 57.456 54.840 -0.202 0.000 0.751 266 L CB -1.144 40.677 42.059 -0.396 0.000 0.889 266 L HN 0.415 nan 8.230 nan 0.000 0.432 267 T N -1.520 113.004 114.554 -0.050 0.000 2.849 267 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 267 T C 1.828 176.624 174.700 0.160 0.000 1.066 267 T CA 1.471 63.631 62.100 0.099 0.000 1.130 267 T CB -0.671 68.241 68.868 0.074 0.000 0.864 267 T HN 0.495 nan 8.240 nan 0.000 0.481 268 C N 1.162 120.536 119.300 0.124 0.000 2.563 268 C HA 0.159 4.618 4.460 -0.000 0.000 0.268 268 C C 2.551 177.675 174.990 0.223 0.000 1.365 268 C CA 0.005 59.133 59.018 0.184 0.000 1.754 268 C CB -0.742 27.076 27.740 0.129 0.000 1.932 268 C HN 0.445 nan 8.230 nan 0.000 0.536 269 S N -0.184 115.588 115.700 0.120 0.000 2.557 269 S HA 0.026 4.495 4.470 -0.000 0.000 0.223 269 S C 0.898 175.474 174.600 -0.040 0.000 0.969 269 S CA 0.125 58.348 58.200 0.038 0.000 0.927 269 S CB -0.031 63.185 63.200 0.027 0.000 0.806 269 S HN 0.482 nan 8.310 nan 0.000 0.489 270 S N 2.410 118.147 115.700 0.063 0.000 4.120 270 S HA 0.101 4.571 4.470 -0.000 0.000 0.215 270 S C 1.172 175.612 174.600 -0.266 0.000 1.347 270 S CA -0.435 57.804 58.200 0.066 0.000 0.889 270 S CB -0.364 63.027 63.200 0.319 0.000 1.585 270 S HN 0.400 nan 8.310 nan 0.000 0.447 271 E N 2.190 122.042 120.200 -0.581 0.000 2.273 271 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 271 E C 0.909 177.265 176.600 -0.408 0.000 1.002 271 E CA 0.998 56.779 56.400 -1.033 0.000 0.828 271 E CB -0.039 29.236 29.700 -0.708 0.000 0.747 271 E HN 0.673 nan 8.360 nan 0.000 0.491 272 L N 1.017 122.116 121.223 -0.206 0.000 2.667 272 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 272 L C 0.922 177.762 176.870 -0.051 0.000 1.138 272 L CA -0.432 54.353 54.840 -0.092 0.000 0.921 272 L CB 0.231 42.231 42.059 -0.099 0.000 1.180 272 L HN -0.034 nan 8.230 nan 0.000 0.487 273 S N -0.673 115.015 115.700 -0.021 0.000 2.592 273 S HA 0.155 4.625 4.470 -0.000 0.000 0.271 273 S C 1.137 175.791 174.600 0.090 0.000 1.326 273 S CA -0.525 57.688 58.200 0.021 0.000 1.024 273 S CB 1.623 64.866 63.200 0.072 0.000 0.921 273 S HN 0.258 nan 8.310 nan 0.000 0.527 274 R N 1.220 121.758 120.500 0.063 0.000 2.115 274 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 274 R C 1.492 177.843 176.300 0.086 0.000 1.111 274 R CA 1.235 57.377 56.100 0.069 0.000 0.976 274 R CB -0.411 29.918 30.300 0.048 0.000 0.870 274 R HN 0.721 nan 8.270 nan 0.000 0.445 275 N N 0.262 119.022 118.700 0.101 0.000 2.069 275 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 275 N C 1.489 177.066 175.510 0.112 0.000 1.031 275 N CA 1.306 54.414 53.050 0.097 0.000 0.852 275 N CB -0.448 38.104 38.487 0.108 0.000 1.018 275 N HN 0.162 nan 8.380 nan 0.000 0.423 276 F N 1.949 121.916 119.950 0.027 0.000 2.075 276 F HA -0.204 4.322 4.527 -0.000 0.000 0.297 276 F C 2.568 178.377 175.800 0.015 0.000 1.113 276 F CA 1.934 59.949 58.000 0.026 0.000 1.218 276 F CB -0.661 38.358 39.000 0.031 0.000 0.984 276 F HN 0.108 nan 8.300 nan 0.000 0.472 277 T N -2.071 112.634 114.554 0.251 0.000 2.788 277 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 277 T C 2.012 176.737 174.700 0.041 0.000 1.044 277 T CA 1.454 63.645 62.100 0.151 0.000 1.139 277 T CB -1.269 67.671 68.868 0.121 0.000 0.867 277 T HN 0.144 nan 8.240 nan 0.000 0.454 278 V N 2.134 122.062 119.914 0.022 0.000 2.261 278 V HA -0.019 4.101 4.120 -0.000 0.000 0.246 278 V C 3.113 179.174 176.094 -0.054 0.000 1.047 278 V CA 1.937 64.228 62.300 -0.014 0.000 1.015 278 V CB -1.540 30.277 31.823 -0.010 0.000 0.642 278 V HN 0.659 nan 8.190 nan 0.000 0.446 279 G N -0.437 108.309 108.800 -0.090 0.000 2.440 279 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 279 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 279 G C 1.636 176.434 174.900 -0.170 0.000 1.154 279 G CA 1.189 46.203 45.100 -0.144 0.000 0.767 279 G HN 0.506 nan 8.290 nan 0.000 0.552 280 K N 0.503 120.779 120.400 -0.207 0.000 2.063 280 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 280 K C 2.458 179.019 176.600 -0.066 0.000 1.048 280 K CA 1.515 57.712 56.287 -0.149 0.000 0.928 280 K CB -0.154 32.304 32.500 -0.070 0.000 0.713 280 K HN 0.257 nan 8.250 nan 0.000 0.442 281 K N 0.440 120.813 120.400 -0.045 0.000 2.025 281 K HA -0.057 4.262 4.320 -0.000 0.000 0.207 281 K C 2.109 178.683 176.600 -0.044 0.000 1.049 281 K CA 1.304 57.572 56.287 -0.031 0.000 0.933 281 K CB -0.107 32.380 32.500 -0.022 0.000 0.714 281 K HN 0.114 nan 8.250 nan 0.000 0.438 282 L N 0.237 121.425 121.223 -0.058 0.000 2.127 282 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 282 L C 2.454 179.289 176.870 -0.059 0.000 1.089 282 L CA 1.338 56.141 54.840 -0.062 0.000 0.757 282 L CB -0.760 41.255 42.059 -0.073 0.000 0.899 282 L HN 0.385 nan 8.230 nan 0.000 0.434 283 G N -0.210 108.550 108.800 -0.067 0.000 2.402 283 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 283 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 283 G C 1.625 176.500 174.900 -0.041 0.000 1.162 283 G CA 0.247 45.310 45.100 -0.062 0.000 0.777 283 G HN 0.287 nan 8.290 nan 0.000 0.539 284 K N 0.035 120.414 120.400 -0.035 0.000 2.504 284 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 284 K C 1.720 178.307 176.600 -0.022 0.000 1.036 284 K CA 0.472 56.746 56.287 -0.022 0.000 0.984 284 K CB 0.119 32.611 32.500 -0.013 0.000 0.788 284 K HN 0.401 nan 8.250 nan 0.000 0.488 285 G N 0.998 109.781 108.800 -0.029 0.000 2.218 285 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.216 285 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.216 285 G C 0.120 175.002 174.900 -0.030 0.000 0.994 285 G CA -0.477 44.606 45.100 -0.028 0.000 0.637 285 G HN 0.129 nan 8.290 nan 0.000 0.505 286 L N 2.314 123.519 121.223 -0.029 0.000 2.540 286 L HA 0.224 4.564 4.340 -0.000 0.000 0.276 286 L C -1.624 175.222 176.870 -0.040 0.000 1.212 286 L CA -1.176 53.647 54.840 -0.030 0.000 0.893 286 L CB 0.173 42.217 42.059 -0.026 0.000 1.138 286 L HN 0.026 nan 8.230 nan 0.000 0.491 287 P HA 0.017 nan 4.420 nan 0.000 0.271 287 P C 0.728 177.991 177.300 -0.061 0.000 1.218 287 P CA -0.375 62.694 63.100 -0.052 0.000 0.780 287 P CB 0.783 32.457 31.700 -0.044 0.000 0.901 288 I N 2.534 123.054 120.570 -0.083 0.000 2.264 288 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 288 I C 1.541 177.607 176.117 -0.084 0.000 1.111 288 I CA 1.891 63.132 61.300 -0.099 0.000 1.382 288 I CB -0.625 37.282 38.000 -0.155 0.000 1.060 288 I HN 0.342 nan 8.210 nan 0.000 0.418 289 E N 0.055 120.210 120.200 -0.075 0.000 2.077 289 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 289 E C 2.095 178.671 176.600 -0.041 0.000 0.989 289 E CA 1.454 57.819 56.400 -0.057 0.000 0.800 289 E CB -0.355 29.316 29.700 -0.048 0.000 0.746 289 E HN 0.539 nan 8.360 nan 0.000 0.452 290 E N 0.753 120.931 120.200 -0.038 0.000 2.110 290 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 290 E C 1.679 178.264 176.600 -0.025 0.000 0.988 290 E CA 1.029 57.413 56.400 -0.027 0.000 0.804 290 E CB -0.149 29.536 29.700 -0.025 0.000 0.745 290 E HN 0.287 nan 8.360 nan 0.000 0.458 291 I N 1.190 121.741 120.570 -0.032 0.000 2.054 291 I HA -0.262 3.908 4.170 -0.000 0.000 0.231 291 I C 0.745 176.849 176.117 -0.021 0.000 1.052 291 I CA 0.954 62.238 61.300 -0.027 0.000 1.320 291 I CB -0.834 37.145 38.000 -0.036 0.000 1.063 291 I HN 0.193 nan 8.210 nan 0.000 0.393 292 Q N 3.435 123.218 119.800 -0.029 0.000 3.448 292 Q HA -0.078 4.261 4.340 -0.000 0.000 0.375 292 Q C -0.690 175.305 176.000 -0.008 0.000 1.050 292 Q CA 0.615 56.406 55.803 -0.020 0.000 1.262 292 Q CB -0.027 28.693 28.738 -0.031 0.000 0.969 292 Q HN 0.308 nan 8.270 nan 0.000 0.434 298 V N 1.138 121.080 119.914 0.047 0.000 3.051 298 V HA 0.565 4.685 4.120 -0.000 0.000 0.306 298 V C 1.165 177.282 176.094 0.038 0.000 1.083 298 V CA 0.392 62.713 62.300 0.034 0.000 1.104 298 V CB 1.577 33.419 31.823 0.031 0.000 1.027 298 V HN 1.348 nan 8.190 nan 0.000 0.483 299 A N 2.321 125.160 122.820 0.032 0.000 2.309 299 A HA 0.420 4.740 4.320 -0.000 0.000 0.298 299 A C 1.097 178.708 177.584 0.045 0.000 1.165 299 A CA -0.498 51.562 52.037 0.039 0.000 0.821 299 A CB 0.316 19.337 19.000 0.035 0.000 1.102 299 A HN 0.907 nan 8.150 nan 0.000 0.500 300 E N 2.660 122.889 120.200 0.048 0.000 2.086 300 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 300 E C 1.968 178.602 176.600 0.057 0.000 1.012 300 E CA 1.811 58.240 56.400 0.049 0.000 0.812 300 E CB -0.388 29.341 29.700 0.049 0.000 0.743 300 E HN 0.877 nan 8.360 nan 0.000 0.453 301 G N 1.137 109.974 108.800 0.062 0.000 2.448 301 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.219 301 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.219 301 G C 1.836 176.795 174.900 0.098 0.000 1.127 301 G CA 0.821 45.965 45.100 0.072 0.000 0.766 301 G HN 0.157 nan 8.290 nan 0.000 0.552 302 V N 1.366 121.332 119.914 0.087 0.000 2.307 302 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 302 V C 3.285 179.497 176.094 0.198 0.000 1.045 302 V CA 2.003 64.369 62.300 0.110 0.000 1.024 302 V CB -0.812 31.025 31.823 0.023 0.000 0.651 302 V HN 0.449 nan 8.190 nan 0.000 0.449 303 A N -0.368 122.528 122.820 0.127 0.000 1.930 303 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 303 A C 2.358 180.002 177.584 0.101 0.000 1.175 303 A CA 2.316 54.427 52.037 0.124 0.000 0.627 303 A CB -0.825 18.208 19.000 0.055 0.000 0.815 303 A HN 0.502 nan 8.150 nan 0.000 0.443 304 T N 0.078 114.677 114.554 0.076 0.000 2.951 304 T HA 0.126 4.476 4.350 -0.000 0.000 0.268 304 T C 2.185 176.903 174.700 0.030 0.000 1.073 304 T CA 1.032 63.150 62.100 0.030 0.000 1.134 304 T CB -0.309 68.576 68.868 0.028 0.000 0.884 304 T HN 0.569 nan 8.240 nan 0.000 0.479 305 A N 1.961 124.847 122.820 0.109 0.000 1.917 305 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 305 A C 2.036 179.593 177.584 -0.046 0.000 1.182 305 A CA 2.274 54.384 52.037 0.122 0.000 0.633 305 A CB -0.891 18.298 19.000 0.314 0.000 0.819 305 A HN 0.552 nan 8.150 nan 0.000 0.448 306 D N -0.498 119.815 120.400 -0.145 0.000 2.081 306 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 306 D C -0.392 175.721 176.300 -0.312 0.000 0.986 306 D CA 1.933 55.695 54.000 -0.397 0.000 0.837 306 D CB -0.721 39.822 40.800 -0.428 0.000 0.985 306 D HN 0.297 nan 8.370 nan 0.000 0.448 307 P HA -0.160 nan 4.420 nan 0.000 0.216 307 P C 1.981 179.175 177.300 -0.176 0.000 1.153 307 P CA 0.947 63.943 63.100 -0.175 0.000 0.858 307 P CB -0.201 31.407 31.700 -0.154 0.000 0.789 308 L N -0.821 120.313 121.223 -0.148 0.000 2.043 308 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 308 L C 2.464 179.258 176.870 -0.127 0.000 1.075 308 L CA 2.058 56.837 54.840 -0.102 0.000 0.752 308 L CB -1.333 40.701 42.059 -0.043 0.000 0.891 308 L HN -0.112 nan 8.230 nan 0.000 0.432 309 M N -0.672 118.791 119.600 -0.228 0.000 2.132 309 M HA -0.182 4.298 4.480 -0.000 0.000 0.263 309 M C 2.369 178.527 176.300 -0.237 0.000 1.065 309 M CA 1.699 56.823 55.300 -0.292 0.000 1.122 309 M CB -0.605 31.574 32.600 -0.703 0.000 1.365 309 M HN 0.339 nan 8.290 nan 0.000 0.411 310 R N -0.137 120.219 120.500 -0.240 0.000 2.092 310 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 310 R C 2.226 178.457 176.300 -0.115 0.000 1.119 310 R CA 1.333 57.331 56.100 -0.168 0.000 0.970 310 R CB -0.692 29.515 30.300 -0.156 0.000 0.864 310 R HN 0.348 nan 8.270 nan 0.000 0.440 311 L N 0.915 122.075 121.223 -0.105 0.000 2.056 311 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 311 L C 2.260 179.105 176.870 -0.043 0.000 1.078 311 L CA 1.887 56.690 54.840 -0.062 0.000 0.749 311 L CB -0.617 41.415 42.059 -0.046 0.000 0.901 311 L HN 0.100 nan 8.230 nan 0.000 0.433 312 A N -0.321 122.468 122.820 -0.051 0.000 1.877 312 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 312 A C 2.456 180.008 177.584 -0.053 0.000 1.186 312 A CA 2.048 54.061 52.037 -0.040 0.000 0.620 312 A CB -0.682 18.294 19.000 -0.041 0.000 0.822 312 A HN 0.540 nan 8.150 nan 0.000 0.443 313 K N -0.505 119.850 120.400 -0.074 0.000 2.009 313 K HA -0.251 4.068 4.320 -0.000 0.000 0.210 313 K C 2.285 178.851 176.600 -0.057 0.000 1.049 313 K CA 1.853 58.095 56.287 -0.075 0.000 0.929 313 K CB -0.267 32.180 32.500 -0.088 0.000 0.714 313 K HN 0.577 nan 8.250 nan 0.000 0.440 314 Q N 0.126 119.894 119.800 -0.053 0.000 2.234 314 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 314 Q C 1.448 177.429 176.000 -0.032 0.000 0.980 314 Q CA 1.264 57.043 55.803 -0.041 0.000 0.869 314 Q CB 0.112 28.826 28.738 -0.041 0.000 0.912 314 Q HN 0.412 nan 8.270 nan 0.000 0.436 315 L N -0.163 121.042 121.223 -0.030 0.000 2.693 315 L HA 0.124 4.464 4.340 -0.000 0.000 0.235 315 L C -0.195 176.659 176.870 -0.027 0.000 1.127 315 L CA -0.236 54.590 54.840 -0.022 0.000 0.914 315 L CB 0.613 42.664 42.059 -0.013 0.000 1.193 315 L HN -0.013 nan 8.230 nan 0.000 0.502 316 K N -0.035 120.344 120.400 -0.034 0.000 3.096 316 K HA -0.130 4.190 4.320 -0.000 0.000 0.266 316 K C -0.634 175.945 176.600 -0.034 0.000 1.043 316 K CA 0.320 56.585 56.287 -0.037 0.000 0.758 316 K CB -2.601 29.880 32.500 -0.031 0.000 1.260 316 K HN 0.085 nan 8.250 nan 0.000 0.481 317 V N 0.799 120.692 119.914 -0.034 0.000 2.394 317 V HA 0.219 4.338 4.120 -0.000 0.000 0.282 317 V C 0.890 176.964 176.094 -0.034 0.000 1.031 317 V CA -0.698 61.585 62.300 -0.029 0.000 0.881 317 V CB 1.719 33.529 31.823 -0.021 0.000 0.982 317 V HN 0.116 nan 8.190 nan 0.000 0.451 318 K N 5.057 125.439 120.400 -0.030 0.000 2.297 318 K HA 0.514 4.834 4.320 -0.000 0.000 0.286 318 K C -0.401 176.191 176.600 -0.013 0.000 1.053 318 K CA 0.018 56.286 56.287 -0.031 0.000 0.940 318 K CB 0.571 33.054 32.500 -0.028 0.000 1.019 318 K HN 0.615 nan 8.250 nan 0.000 0.475 319 M N 5.788 125.386 119.600 -0.003 0.000 2.389 319 M HA 0.179 4.658 4.480 -0.000 0.000 0.206 319 M C -2.167 174.166 176.300 0.056 0.000 0.976 319 M CA -1.836 53.478 55.300 0.023 0.000 0.648 319 M CB 1.340 33.956 32.600 0.027 0.000 1.474 319 M HN 0.249 nan 8.290 nan 0.000 0.398 320 P HA -0.162 nan 4.420 nan 0.000 0.214 320 P C 1.419 178.775 177.300 0.094 0.000 1.163 320 P CA 1.502 64.645 63.100 0.072 0.000 0.889 320 P CB 0.258 31.985 31.700 0.045 0.000 0.790 321 L N -1.496 119.767 121.223 0.067 0.000 2.046 321 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 321 L C 2.545 179.461 176.870 0.076 0.000 1.077 321 L CA 1.511 56.388 54.840 0.061 0.000 0.747 321 L CB -0.989 41.097 42.059 0.044 0.000 0.896 321 L HN 0.065 nan 8.230 nan 0.000 0.432 322 C N -1.686 117.665 119.300 0.085 0.000 2.450 322 C HA -0.149 4.311 4.460 -0.000 0.000 0.279 322 C C 2.714 177.791 174.990 0.145 0.000 1.335 322 C CA 0.583 59.658 59.018 0.095 0.000 1.749 322 C CB -1.026 26.756 27.740 0.071 0.000 1.963 322 C HN 0.556 nan 8.230 nan 0.000 0.501 323 H N 0.825 119.936 119.070 0.069 0.000 2.307 323 H HA -0.085 4.471 4.556 -0.000 0.000 0.303 323 H C 2.322 177.741 175.328 0.151 0.000 1.073 323 H CA 1.644 57.758 56.048 0.111 0.000 1.338 323 H CB -0.147 29.654 29.762 0.067 0.000 1.389 323 H HN 0.260 nan 8.280 nan 0.000 0.503 324 Q N 0.137 119.985 119.800 0.081 0.000 2.181 324 Q HA -0.115 4.225 4.340 -0.000 0.000 0.205 324 Q C 2.611 178.598 176.000 -0.022 0.000 0.980 324 Q CA 1.334 57.138 55.803 0.001 0.000 0.862 324 Q CB -0.174 28.590 28.738 0.043 0.000 0.905 324 Q HN 0.597 nan 8.270 nan 0.000 0.429 325 I N -0.489 120.096 120.570 0.025 0.000 2.353 325 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 325 I C 2.236 178.381 176.117 0.045 0.000 1.119 325 I CA 0.821 62.138 61.300 0.028 0.000 1.417 325 I CB -0.294 37.736 38.000 0.050 0.000 1.078 325 I HN 0.108 nan 8.210 nan 0.000 0.421 326 Y N 2.149 122.419 120.300 -0.050 0.000 2.145 326 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 326 Y C 2.463 178.346 175.900 -0.029 0.000 1.145 326 Y CA 1.613 59.697 58.100 -0.028 0.000 1.148 326 Y CB -0.194 38.196 38.460 -0.118 0.000 0.981 326 Y HN 0.115 nan 8.280 nan 0.000 0.507 327 E N 0.558 120.541 120.200 -0.361 0.000 2.051 327 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 327 E C 2.413 178.865 176.600 -0.247 0.000 0.991 327 E CA 1.733 57.906 56.400 -0.378 0.000 0.799 327 E CB -0.538 29.010 29.700 -0.253 0.000 0.748 327 E HN 0.608 nan 8.360 nan 0.000 0.449 328 I N 0.811 121.286 120.570 -0.157 0.000 2.208 328 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 328 I C 2.438 178.476 176.117 -0.133 0.000 1.097 328 I CA 0.937 62.168 61.300 -0.114 0.000 1.363 328 I CB -0.165 37.789 38.000 -0.076 0.000 1.051 328 I HN -0.061 nan 8.210 nan 0.000 0.413 329 V N -0.840 118.995 119.914 -0.132 0.000 2.407 329 V HA -0.236 3.883 4.120 -0.000 0.000 0.245 329 V C 1.800 177.714 176.094 -0.301 0.000 1.041 329 V CA 1.722 63.925 62.300 -0.162 0.000 1.040 329 V CB -0.506 31.288 31.823 -0.048 0.000 0.671 329 V HN 0.337 nan 8.190 nan 0.000 0.455 330 Y N -0.216 119.840 120.300 -0.407 0.000 2.507 330 Y HA 0.267 4.817 4.550 -0.000 0.000 0.263 330 Y C 1.604 177.323 175.900 -0.302 0.000 1.093 330 Y CA 0.242 58.109 58.100 -0.388 0.000 1.285 330 Y CB 0.490 38.590 38.460 -0.600 0.000 1.115 330 Y HN 0.140 nan 8.280 nan 0.000 0.533 331 K N 0.374 120.664 120.400 -0.185 0.000 2.934 331 K HA 0.182 4.502 4.320 -0.000 0.000 0.210 331 K C -0.202 176.343 176.600 -0.092 0.000 1.122 331 K CA -0.136 56.081 56.287 -0.117 0.000 1.033 331 K CB 0.476 32.906 32.500 -0.117 0.000 0.779 331 K HN 0.002 nan 8.250 nan 0.000 0.459 332 K N 1.313 121.654 120.400 -0.098 0.000 2.948 332 K HA -0.243 4.076 4.320 -0.000 0.000 0.253 332 K C -0.142 176.420 176.600 -0.064 0.000 0.970 332 K CA 0.837 57.078 56.287 -0.076 0.000 0.716 332 K CB -1.088 31.379 32.500 -0.055 0.000 1.249 332 K HN 0.282 nan 8.250 nan 0.000 0.483 333 K N 1.763 122.118 120.400 -0.075 0.000 2.322 333 K HA 0.065 4.385 4.320 -0.000 0.000 0.283 333 K C 0.156 176.726 176.600 -0.049 0.000 1.042 333 K CA -0.428 55.825 56.287 -0.057 0.000 0.958 333 K CB 0.568 33.030 32.500 -0.064 0.000 0.984 333 K HN 0.081 nan 8.250 nan 0.000 0.473 334 N N 4.970 123.650 118.700 -0.034 0.000 2.452 334 N HA -0.001 4.738 4.740 -0.000 0.000 0.266 334 N C -1.954 173.539 175.510 -0.028 0.000 1.209 334 N CA -1.317 51.715 53.050 -0.030 0.000 0.929 334 N CB 1.124 39.599 38.487 -0.021 0.000 1.063 334 N HN 0.447 nan 8.380 nan 0.000 0.472 335 P HA -0.146 nan 4.420 nan 0.000 0.217 335 P C 1.110 178.397 177.300 -0.021 0.000 1.148 335 P CA 1.344 64.425 63.100 -0.032 0.000 0.834 335 P CB 0.259 31.936 31.700 -0.038 0.000 0.783 336 R N -0.834 119.656 120.500 -0.017 0.000 2.093 336 R HA -0.070 4.270 4.340 -0.000 0.000 0.224 336 R C 1.726 178.023 176.300 -0.006 0.000 1.101 336 R CA 1.239 57.333 56.100 -0.010 0.000 0.979 336 R CB -0.450 29.844 30.300 -0.009 0.000 0.877 336 R HN 0.064 nan 8.270 nan 0.000 0.441 337 D N 0.094 120.490 120.400 -0.007 0.000 2.144 337 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 337 D C 1.621 177.922 176.300 0.003 0.000 0.978 337 D CA 1.370 55.369 54.000 -0.002 0.000 0.833 337 D CB -0.134 40.664 40.800 -0.004 0.000 0.961 337 D HN 0.305 nan 8.370 nan 0.000 0.470 338 A N 1.337 124.155 122.820 -0.002 0.000 1.877 338 A HA -0.117 4.202 4.320 -0.000 0.000 0.216 338 A C 2.113 179.703 177.584 0.010 0.000 1.186 338 A CA 0.834 52.873 52.037 0.003 0.000 0.620 338 A CB -0.766 18.228 19.000 -0.010 0.000 0.822 338 A HN 0.273 nan 8.150 nan 0.000 0.443 339 L N -0.126 121.099 121.223 0.003 0.000 1.989 339 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 339 L C 2.638 179.514 176.870 0.011 0.000 1.071 339 L CA 2.724 57.567 54.840 0.006 0.000 0.749 339 L CB -1.348 40.712 42.059 0.000 0.000 0.890 339 L HN 0.404 nan 8.230 nan 0.000 0.431 340 A N -0.312 122.513 122.820 0.009 0.000 1.908 340 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 340 A C 1.913 179.507 177.584 0.015 0.000 1.181 340 A CA 1.910 53.954 52.037 0.010 0.000 0.627 340 A CB -0.684 18.321 19.000 0.008 0.000 0.818 340 A HN 0.547 nan 8.150 nan 0.000 0.445 341 D N -0.336 120.076 120.400 0.020 0.000 2.144 341 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 341 D C 1.894 178.212 176.300 0.031 0.000 0.978 341 D CA 0.637 54.653 54.000 0.027 0.000 0.833 341 D CB -0.305 40.517 40.800 0.037 0.000 0.961 341 D HN 0.382 nan 8.370 nan 0.000 0.470 342 L N 0.303 121.545 121.223 0.032 0.000 2.083 342 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 342 L C 1.831 178.715 176.870 0.024 0.000 1.083 342 L CA 0.924 55.784 54.840 0.033 0.000 0.752 342 L CB -0.059 42.018 42.059 0.031 0.000 0.899 342 L HN 0.075 nan 8.230 nan 0.000 0.433 343 L N -0.955 120.280 121.223 0.019 0.000 2.591 343 L HA 0.002 4.342 4.340 -0.000 0.000 0.228 343 L C 2.351 179.229 176.870 0.014 0.000 1.133 343 L CA 0.359 55.209 54.840 0.015 0.000 0.880 343 L CB -0.242 41.825 42.059 0.013 0.000 1.033 343 L HN 0.266 nan 8.230 nan 0.000 0.450 344 S N -0.534 115.175 115.700 0.015 0.000 2.507 344 S HA -0.163 4.306 4.470 -0.000 0.000 0.235 344 S C 2.144 176.750 174.600 0.011 0.000 0.988 344 S CA 0.612 58.820 58.200 0.013 0.000 0.944 344 S CB -0.920 62.289 63.200 0.015 0.000 0.762 344 S HN 0.653 nan 8.310 nan 0.000 0.526 345 C N 0.493 119.801 119.300 0.012 0.000 2.411 345 C HA 0.479 4.939 4.460 -0.000 0.000 0.279 345 C C 1.822 176.817 174.990 0.007 0.000 1.288 345 C CA -0.541 58.483 59.018 0.009 0.000 1.764 345 C CB -2.158 25.588 27.740 0.010 0.000 1.974 345 C HN 1.135 nan 8.230 nan 0.000 0.498 346 G N 0.170 108.975 108.800 0.008 0.000 2.757 346 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.638 346 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.638 346 G C -0.702 174.201 174.900 0.006 0.000 1.344 346 G CA -0.369 44.735 45.100 0.006 0.000 0.855 346 G HN 0.779 nan 8.290 nan 0.000 0.537 347 L N 1.096 122.322 121.223 0.005 0.000 2.562 347 L HA 0.277 4.617 4.340 -0.000 0.000 0.271 347 L C 1.082 177.955 176.870 0.004 0.000 1.167 347 L CA 0.452 55.295 54.840 0.005 0.000 0.917 347 L CB 0.261 42.322 42.059 0.004 0.000 1.187 347 L HN 0.609 nan 8.230 nan 0.000 0.482 348 Q N 1.742 121.545 119.800 0.005 0.000 2.445 348 Q HA 0.369 4.709 4.340 -0.000 0.000 0.281 348 Q C -1.228 174.774 176.000 0.003 0.000 1.101 348 Q CA -1.095 54.710 55.803 0.004 0.000 0.833 348 Q CB 2.370 31.111 28.738 0.005 0.000 1.416 348 Q HN 0.456 nan 8.270 nan 0.000 0.451 349 D N 0.918 121.319 120.400 0.002 0.000 2.313 349 D HA -0.011 4.629 4.640 -0.000 0.000 0.247 349 D C 0.593 176.894 176.300 0.002 0.000 1.094 349 D CA 0.098 54.098 54.000 0.001 0.000 0.925 349 D CB 1.063 41.862 40.800 -0.001 0.000 1.188 349 D HN 0.604 nan 8.370 nan 0.000 0.430 350 E N 0.908 121.108 120.200 0.000 0.000 2.160 350 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 350 E C 0.965 177.567 176.600 0.004 0.000 0.991 350 E CA 1.157 57.558 56.400 0.001 0.000 0.810 350 E CB -0.136 29.561 29.700 -0.004 0.000 0.742 350 E HN 0.757 nan 8.360 nan 0.000 0.466 351 G N 0.158 108.959 108.800 0.000 0.000 2.147 351 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 351 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 351 G C -0.085 174.818 174.900 0.005 0.000 1.005 351 G CA 0.428 45.530 45.100 0.003 0.000 0.713 351 G HN 0.225 nan 8.290 nan 0.000 0.515 352 L N 1.552 122.772 121.223 -0.005 0.000 2.322 352 L HA 0.521 4.860 4.340 -0.000 0.000 0.279 352 L C -0.989 175.863 176.870 -0.030 0.000 1.036 352 L CA -2.028 52.806 54.840 -0.011 0.000 0.807 352 L CB 1.297 43.336 42.059 -0.033 0.000 1.226 352 L HN 0.053 nan 8.230 nan 0.000 0.433 353 P HA 0.294 nan 4.420 nan 0.000 0.274 353 P C -2.603 174.642 177.300 -0.092 0.000 1.231 353 P CA -1.095 61.975 63.100 -0.049 0.000 0.790 353 P CB -0.260 31.417 31.700 -0.038 0.000 0.951 354 P HA 0.172 nan 4.420 nan 0.000 0.269 354 P C 0.745 177.899 177.300 -0.242 0.000 1.209 354 P CA -0.110 62.909 63.100 -0.136 0.000 0.776 354 P CB 0.546 32.202 31.700 -0.074 0.000 0.876 355 L N 0.378 121.315 121.223 -0.475 0.000 2.253 355 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 355 L C 0.260 176.665 176.870 -0.775 0.000 1.078 355 L CA 0.712 55.081 54.840 -0.784 0.000 0.805 355 L CB -0.244 40.994 42.059 -1.368 0.000 0.963 355 L HN 0.277 nan 8.230 nan 0.000 0.459 356 F N 0.056 119.995 119.950 -0.018 0.000 2.467 356 F HA 0.489 5.016 4.527 -0.000 0.000 0.336 356 F C 0.232 176.026 175.800 -0.011 0.000 1.123 356 F CA -1.310 56.682 58.000 -0.013 0.000 0.964 356 F CB 0.890 39.881 39.000 -0.015 0.000 1.136 356 F HN -0.332 nan 8.300 nan 0.000 0.447 357 K N 0.000 120.487 120.400 0.144 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 357 K CA 0.000 56.334 56.287 0.078 0.000 0.838 357 K CB 0.000 32.530 32.500 0.050 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543