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 3n2c_1_G DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.690 174.700 -0.017 0.000 1.109 2 T CA 0.000 62.090 62.100 -0.016 0.000 1.349 2 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 3 I N 0.673 121.231 120.570 -0.020 0.000 2.610 3 I HA 0.661 4.831 4.170 0.000 0.000 0.289 3 I C -1.462 174.639 176.117 -0.027 0.000 1.163 3 I CA -0.188 61.099 61.300 -0.021 0.000 1.044 3 I CB 2.030 40.019 38.000 -0.019 0.000 1.251 3 I HN 0.985 nan 8.210 nan 0.000 0.424 4 T N 5.998 120.535 114.554 -0.028 0.000 2.876 4 T HA 0.597 4.947 4.350 0.000 0.000 0.289 4 T C -1.005 173.676 174.700 -0.032 0.000 1.014 4 T CA -0.605 61.473 62.100 -0.037 0.000 0.986 4 T CB 2.103 70.944 68.868 -0.046 0.000 1.021 4 T HN 0.265 nan 8.240 nan 0.000 0.458 5 V N 3.682 123.574 119.914 -0.036 0.000 2.407 5 V HA 0.391 4.511 4.120 0.000 0.000 0.291 5 V C -0.266 175.817 176.094 -0.019 0.000 1.018 5 V CA -0.865 61.423 62.300 -0.021 0.000 0.842 5 V CB 1.324 33.130 31.823 -0.028 0.000 0.996 5 V HN 0.738 nan 8.190 nan 0.000 0.426 6 L N 6.269 127.491 121.223 -0.001 0.000 2.313 6 L HA 0.477 4.818 4.340 0.000 0.000 0.282 6 L C 0.289 177.209 176.870 0.083 0.000 1.092 6 L CA -0.115 54.729 54.840 0.007 0.000 0.831 6 L CB 0.749 42.806 42.059 -0.002 0.000 1.159 6 L HN 0.744 nan 8.230 nan 0.000 0.442 7 Q N 1.806 121.670 119.800 0.106 0.000 2.342 7 Q HA 0.586 4.926 4.340 0.000 0.000 0.267 7 Q C 0.554 176.657 176.000 0.172 0.000 1.038 7 Q CA -0.496 55.468 55.803 0.270 0.000 0.832 7 Q CB 2.076 30.958 28.738 0.239 0.000 1.323 7 Q HN 0.766 nan 8.270 nan 0.000 0.448 8 G N 1.443 110.294 108.800 0.085 0.000 2.168 8 G HA2 -0.271 3.689 3.960 0.000 0.000 0.257 8 G HA3 -0.271 3.689 3.960 0.000 0.000 0.257 8 G C 0.393 175.233 174.900 -0.100 0.000 0.997 8 G CA -0.069 45.020 45.100 -0.019 0.000 0.708 8 G HN 1.013 nan 8.290 nan 0.000 0.520 9 G N -0.673 108.082 108.800 -0.074 0.000 2.634 9 G HA2 0.456 4.416 3.960 0.000 0.000 0.255 9 G HA3 0.456 4.416 3.960 0.000 0.000 0.255 9 G C 0.018 174.851 174.900 -0.112 0.000 1.205 9 G CA -0.293 44.762 45.100 -0.074 0.000 0.884 9 G HN 0.502 nan 8.290 nan 0.000 0.549 10 N N -0.048 118.590 118.700 -0.104 0.000 2.678 10 N HA 0.310 5.050 4.740 0.000 0.000 0.231 10 N C -0.501 174.968 175.510 -0.068 0.000 1.038 10 N CA -0.559 52.432 53.050 -0.098 0.000 0.932 10 N CB 1.830 40.255 38.487 -0.103 0.000 1.176 10 N HN 0.163 nan 8.380 nan 0.000 0.511 11 V N 2.746 122.617 119.914 -0.072 0.000 2.555 11 V HA 0.060 4.180 4.120 0.000 0.000 0.286 11 V C 0.497 176.536 176.094 -0.091 0.000 1.044 11 V CA -0.333 61.921 62.300 -0.076 0.000 1.026 11 V CB 1.034 32.806 31.823 -0.085 0.000 0.981 11 V HN 0.593 nan 8.190 nan 0.000 0.480 12 L N 4.895 126.082 121.223 -0.059 0.000 2.268 12 L HA 0.358 4.698 4.340 0.000 0.000 0.289 12 L C 0.288 177.133 176.870 -0.042 0.000 1.064 12 L CA -0.135 54.678 54.840 -0.046 0.000 0.824 12 L CB 0.628 42.675 42.059 -0.021 0.000 1.202 12 L HN 0.665 nan 8.230 nan 0.000 0.433 13 D N 4.696 125.063 120.400 -0.054 0.000 2.365 13 D HA 0.098 4.738 4.640 0.000 0.000 0.237 13 D C 0.881 177.171 176.300 -0.018 0.000 1.190 13 D CA -0.153 53.823 54.000 -0.041 0.000 0.867 13 D CB 1.400 42.166 40.800 -0.058 0.000 1.050 13 D HN 0.516 nan 8.370 nan 0.000 0.491 14 L N 3.542 124.763 121.223 -0.003 0.000 2.131 14 L HA -0.115 4.225 4.340 0.000 0.000 0.206 14 L C 2.552 179.430 176.870 0.014 0.000 1.087 14 L CA 0.681 55.528 54.840 0.012 0.000 0.767 14 L CB -0.136 41.938 42.059 0.025 0.000 0.917 14 L HN 0.472 nan 8.230 nan 0.000 0.441 15 E N 0.485 120.692 120.200 0.012 0.000 2.274 15 E HA -0.208 4.143 4.350 0.000 0.000 0.194 15 E C 1.838 178.444 176.600 0.009 0.000 0.996 15 E CA 1.063 57.471 56.400 0.014 0.000 0.840 15 E CB -0.071 29.638 29.700 0.014 0.000 0.772 15 E HN 0.486 nan 8.360 nan 0.000 0.491 16 R N -0.271 120.230 120.500 0.002 0.000 2.282 16 R HA 0.178 4.518 4.340 0.000 0.000 0.195 16 R C 0.740 177.040 176.300 -0.001 0.000 0.909 16 R CA 0.485 56.584 56.100 -0.001 0.000 1.039 16 R CB 0.661 30.956 30.300 -0.008 0.000 1.015 16 R HN 0.280 nan 8.270 nan 0.000 0.513 17 G N 1.604 110.404 108.800 -0.001 0.000 2.291 17 G HA2 -0.210 3.750 3.960 0.000 0.000 0.271 17 G HA3 -0.210 3.750 3.960 0.000 0.000 0.271 17 G C -0.114 174.782 174.900 -0.007 0.000 1.099 17 G CA 0.258 45.358 45.100 0.001 0.000 0.919 17 G HN 0.221 nan 8.290 nan 0.000 0.496 18 V N -2.957 116.946 119.914 -0.017 0.000 3.165 18 V HA 0.840 4.960 4.120 0.000 0.000 0.309 18 V C 0.191 176.262 176.094 -0.038 0.000 1.267 18 V CA -1.650 60.635 62.300 -0.025 0.000 1.067 18 V CB 2.350 34.157 31.823 -0.027 0.000 1.082 18 V HN 0.323 nan 8.190 nan 0.000 0.451 19 L N 2.045 123.243 121.223 -0.041 0.000 2.318 19 L HA 0.502 4.842 4.340 0.000 0.000 0.277 19 L C -0.881 175.950 176.870 -0.066 0.000 1.008 19 L CA -0.458 54.350 54.840 -0.054 0.000 0.846 19 L CB 1.437 43.471 42.059 -0.042 0.000 1.220 19 L HN 0.562 nan 8.230 nan 0.000 0.423 20 L N 5.011 126.158 121.223 -0.126 0.000 2.363 20 L HA 0.183 4.523 4.340 0.000 0.000 0.286 20 L C 0.843 177.687 176.870 -0.043 0.000 1.106 20 L CA -0.380 54.357 54.840 -0.172 0.000 0.859 20 L CB 0.032 41.737 42.059 -0.589 0.000 1.223 20 L HN 0.589 nan 8.230 nan 0.000 0.446 21 E N 3.903 124.132 120.200 0.048 0.000 2.374 21 E HA 0.037 4.387 4.350 0.000 0.000 0.260 21 E C 0.229 176.894 176.600 0.108 0.000 1.101 21 E CA -0.580 55.819 56.400 -0.001 0.000 0.907 21 E CB 0.573 30.251 29.700 -0.038 0.000 1.014 21 E HN 0.602 nan 8.360 nan 0.000 0.427 22 H N -0.729 118.337 119.070 -0.007 0.000 3.141 22 H HA -0.177 4.379 4.556 0.000 0.000 0.260 22 H C -0.564 174.577 175.328 -0.311 0.000 1.132 22 H CA 1.337 57.307 56.048 -0.130 0.000 1.171 22 H CB -2.070 27.628 29.762 -0.107 0.000 1.274 22 H HN 0.590 nan 8.280 nan 0.000 0.329 23 H N 1.349 120.303 119.070 -0.193 0.000 2.803 23 H HA 0.144 4.701 4.556 0.000 0.000 0.330 23 H C 1.031 176.208 175.328 -0.252 0.000 1.057 23 H CA 0.216 56.142 56.048 -0.204 0.000 1.458 23 H CB 0.517 30.232 29.762 -0.078 0.000 1.470 23 H HN 0.255 nan 8.280 nan 0.000 0.560 24 H N 1.924 121.040 119.070 0.078 0.000 2.505 24 H HA 0.329 4.885 4.556 0.000 0.000 0.355 24 H C -0.320 175.041 175.328 0.055 0.000 1.179 24 H CA -0.583 55.494 56.048 0.048 0.000 1.343 24 H CB 1.158 30.928 29.762 0.015 0.000 1.501 24 H HN 0.248 nan 8.280 nan 0.000 0.569 25 V N 2.451 122.458 119.914 0.155 0.000 2.483 25 V HA 0.135 4.255 4.120 0.000 0.000 0.297 25 V C -0.093 176.035 176.094 0.057 0.000 1.027 25 V CA -0.793 61.558 62.300 0.086 0.000 0.855 25 V CB 1.897 33.748 31.823 0.047 0.000 0.995 25 V HN 0.433 nan 8.190 nan 0.000 0.424 26 V N 6.081 126.021 119.914 0.043 0.000 2.347 26 V HA 0.469 4.589 4.120 0.000 0.000 0.280 26 V C -0.093 176.006 176.094 0.008 0.000 1.021 26 V CA -0.428 61.883 62.300 0.018 0.000 0.847 26 V CB 1.375 33.206 31.823 0.013 0.000 0.990 26 V HN 0.581 nan 8.190 nan 0.000 0.444 27 I N 3.649 124.218 120.570 -0.003 0.000 2.392 27 I HA 0.499 4.670 4.170 0.000 0.000 0.295 27 I C -0.418 175.693 176.117 -0.010 0.000 0.985 27 I CA -0.334 60.961 61.300 -0.008 0.000 1.221 27 I CB 1.610 39.600 38.000 -0.017 0.000 1.366 27 I HN 0.602 nan 8.210 nan 0.000 0.467 28 D N 3.524 123.919 120.400 -0.008 0.000 2.473 28 D HA 0.534 5.174 4.640 0.000 0.000 0.253 28 D C 0.642 176.936 176.300 -0.009 0.000 1.233 28 D CA 0.647 54.642 54.000 -0.009 0.000 0.908 28 D CB 1.257 42.053 40.800 -0.006 0.000 1.170 28 D HN 0.841 nan 8.370 nan 0.000 0.558 29 G N 4.071 112.864 108.800 -0.012 0.000 4.766 29 G HA2 -0.348 3.612 3.960 0.000 0.000 0.314 29 G HA3 -0.348 3.612 3.960 0.000 0.000 0.314 29 G C 0.785 175.677 174.900 -0.013 0.000 1.427 29 G CA 0.607 45.700 45.100 -0.012 0.000 1.024 29 G HN 0.536 nan 8.290 nan 0.000 0.754 30 E N 0.348 120.543 120.200 -0.009 0.000 2.676 30 E HA 0.257 4.607 4.350 0.000 0.000 0.225 30 E C 0.991 177.588 176.600 -0.005 0.000 0.944 30 E CA -0.203 56.192 56.400 -0.009 0.000 1.156 30 E CB 1.156 30.851 29.700 -0.009 0.000 1.117 30 E HN 0.470 nan 8.360 nan 0.000 0.523 31 R N 0.481 120.980 120.500 -0.003 0.000 2.912 31 R HA 0.572 4.912 4.340 0.000 0.000 0.262 31 R C -0.568 175.733 176.300 0.002 0.000 1.057 31 R CA -0.845 55.256 56.100 0.002 0.000 0.981 31 R CB 1.862 32.166 30.300 0.006 0.000 1.201 31 R HN -0.102 nan 8.270 nan 0.000 0.484 32 I N 1.938 122.511 120.570 0.006 0.000 2.321 32 I HA 0.108 4.278 4.170 0.000 0.000 0.291 32 I C 1.094 177.219 176.117 0.012 0.000 0.998 32 I CA -0.337 60.969 61.300 0.009 0.000 1.227 32 I CB 1.709 39.715 38.000 0.011 0.000 1.368 32 I HN 0.443 nan 8.210 nan 0.000 0.466 33 V N 3.237 123.158 119.914 0.013 0.000 2.500 33 V HA 0.096 4.216 4.120 0.000 0.000 0.243 33 V C 0.689 176.796 176.094 0.021 0.000 1.039 33 V CA 0.764 63.072 62.300 0.014 0.000 1.053 33 V CB -0.425 31.404 31.823 0.009 0.000 0.695 33 V HN 0.756 nan 8.190 nan 0.000 0.463 34 E N -0.102 120.115 120.200 0.029 0.000 2.263 34 E HA 0.539 4.889 4.350 0.000 0.000 0.268 34 E C -1.884 174.754 176.600 0.063 0.000 0.884 34 E CA -0.327 56.099 56.400 0.042 0.000 0.766 34 E CB 2.604 32.326 29.700 0.037 0.000 1.196 34 E HN 0.082 nan 8.360 nan 0.000 0.416 35 V N 3.866 123.826 119.914 0.078 0.000 2.305 35 V HA 0.456 4.576 4.120 0.000 0.000 0.275 35 V C -0.166 176.040 176.094 0.187 0.000 1.020 35 V CA -0.372 61.998 62.300 0.117 0.000 0.811 35 V CB 1.211 33.082 31.823 0.079 0.000 1.031 35 V HN 0.685 nan 8.190 nan 0.000 0.439 36 T N 1.542 116.217 114.554 0.202 0.000 2.843 36 T HA 0.336 4.686 4.350 0.000 0.000 0.302 36 T C 0.084 174.723 174.700 -0.102 0.000 1.232 36 T CA -0.105 62.070 62.100 0.124 0.000 1.009 36 T CB 2.110 71.020 68.868 0.070 0.000 1.254 36 T HN 0.711 nan 8.240 nan 0.000 0.504 37 D N 0.612 120.768 120.400 -0.408 0.000 2.392 37 D HA 0.057 4.697 4.640 0.000 0.000 0.206 37 D C 0.418 176.680 176.300 -0.064 0.000 1.046 37 D CA -0.211 53.498 54.000 -0.486 0.000 0.865 37 D CB 0.201 40.554 40.800 -0.745 0.000 0.969 37 D HN 0.183 nan 8.370 nan 0.000 0.509 38 R N 2.302 122.799 120.500 -0.005 0.000 2.585 38 R HA 0.166 4.507 4.340 0.000 0.000 0.275 38 R C -2.014 174.325 176.300 0.064 0.000 1.018 38 R CA -1.166 54.952 56.100 0.030 0.000 1.072 38 R CB -0.550 29.754 30.300 0.007 0.000 0.953 38 R HN 0.192 nan 8.270 nan 0.000 0.419 39 P HA -0.121 nan 4.420 nan 0.000 0.263 39 P C -0.010 177.186 177.300 -0.174 0.000 1.168 39 P CA 0.183 63.248 63.100 -0.058 0.000 0.759 39 P CB 0.446 32.126 31.700 -0.034 0.000 0.782 40 V N 3.764 123.471 119.914 -0.345 0.000 2.405 40 V HA 0.063 4.183 4.120 0.000 0.000 0.264 40 V C 0.293 176.289 176.094 -0.163 0.000 1.048 40 V CA -0.199 61.909 62.300 -0.321 0.000 0.966 40 V CB 0.023 31.558 31.823 -0.480 0.000 1.015 40 V HN 0.491 nan 8.190 nan 0.000 0.477 41 D N 7.198 127.532 120.400 -0.110 0.000 2.402 41 D HA 0.195 4.835 4.640 0.000 0.000 0.235 41 D C -0.280 175.981 176.300 -0.064 0.000 1.226 41 D CA -0.261 53.696 54.000 -0.071 0.000 0.918 41 D CB 0.667 41.437 40.800 -0.051 0.000 1.043 41 D HN 0.685 nan 8.370 nan 0.000 0.506 42 L N 2.781 123.967 121.223 -0.062 0.000 2.337 42 L HA 0.533 4.873 4.340 0.000 0.000 0.269 42 L C -2.091 174.756 176.870 -0.038 0.000 1.018 42 L CA -1.285 53.525 54.840 -0.050 0.000 0.876 42 L CB 1.393 43.418 42.059 -0.056 0.000 1.236 42 L HN 0.003 nan 8.230 nan 0.000 0.436 43 P HA 0.015 nan 4.420 nan 0.000 0.209 43 P C -0.012 177.274 177.300 -0.023 0.000 1.201 43 P CA 0.632 63.717 63.100 -0.025 0.000 0.911 43 P CB 0.244 31.931 31.700 -0.021 0.000 0.758 44 N N -0.066 118.621 118.700 -0.022 0.000 3.040 44 N HA 0.458 5.198 4.740 0.000 0.000 0.305 44 N C -1.289 174.207 175.510 -0.023 0.000 1.611 44 N CA -0.224 52.814 53.050 -0.021 0.000 1.049 44 N CB 0.069 38.546 38.487 -0.017 0.000 1.342 44 N HN 0.070 nan 8.380 nan 0.000 0.497 45 A N 1.376 124.179 122.820 -0.027 0.000 2.371 45 A HA 0.311 4.631 4.320 0.000 0.000 0.311 45 A C -0.422 177.142 177.584 -0.033 0.000 1.068 45 A CA -0.591 51.428 52.037 -0.030 0.000 0.744 45 A CB 1.679 20.659 19.000 -0.034 0.000 1.239 45 A HN 0.509 nan 8.150 nan 0.000 0.435 46 Q N 0.806 120.585 119.800 -0.035 0.000 2.327 46 Q HA 0.549 4.889 4.340 0.000 0.000 0.254 46 Q C -0.326 175.645 176.000 -0.048 0.000 0.952 46 Q CA -0.125 55.654 55.803 -0.040 0.000 0.884 46 Q CB 1.125 29.838 28.738 -0.043 0.000 1.224 46 Q HN 0.916 nan 8.270 nan 0.000 0.422 47 A N 4.652 127.441 122.820 -0.052 0.000 2.356 47 A HA 0.630 4.950 4.320 0.000 0.000 0.310 47 A C -1.064 176.472 177.584 -0.081 0.000 1.075 47 A CA -0.683 51.321 52.037 -0.055 0.000 0.746 47 A CB 0.846 19.823 19.000 -0.038 0.000 1.221 47 A HN 0.753 nan 8.150 nan 0.000 0.443 48 I N 1.674 122.179 120.570 -0.108 0.000 2.362 48 I HA 0.222 4.392 4.170 0.000 0.000 0.289 48 I C -0.681 175.373 176.117 -0.104 0.000 0.994 48 I CA -0.450 60.739 61.300 -0.185 0.000 1.158 48 I CB 1.931 39.713 38.000 -0.363 0.000 1.315 48 I HN 0.656 nan 8.210 nan 0.000 0.451 49 D N 6.532 126.900 120.400 -0.053 0.000 2.344 49 D HA 0.213 4.853 4.640 0.000 0.000 0.253 49 D C -0.378 175.965 176.300 0.072 0.000 1.255 49 D CA 0.086 54.101 54.000 0.024 0.000 0.894 49 D CB 0.786 41.612 40.800 0.043 0.000 1.067 49 D HN 0.192 nan 8.370 nan 0.000 0.492 50 V N 5.885 125.838 119.914 0.065 0.000 2.435 50 V HA 0.198 4.318 4.120 0.000 0.000 0.263 50 V C 0.492 176.611 176.094 0.042 0.000 1.087 50 V CA -0.903 61.448 62.300 0.084 0.000 1.253 50 V CB -0.428 31.435 31.823 0.068 0.000 1.462 50 V HN 0.483 nan 8.190 nan 0.000 0.547 51 R N 1.683 122.213 120.500 0.049 0.000 2.340 51 R HA 0.416 4.756 4.340 0.000 0.000 0.300 51 R C 0.699 176.990 176.300 -0.015 0.000 1.069 51 R CA 0.664 56.781 56.100 0.027 0.000 0.984 51 R CB 0.826 31.170 30.300 0.073 0.000 1.003 51 R HN 0.833 nan 8.270 nan 0.000 0.459 52 G N 3.013 111.752 108.800 -0.101 0.000 2.356 52 G HA2 -0.323 3.637 3.960 0.000 0.000 0.296 52 G HA3 -0.323 3.637 3.960 0.000 0.000 0.296 52 G C -0.611 174.249 174.900 -0.067 0.000 1.022 52 G CA 0.749 45.785 45.100 -0.106 0.000 0.961 52 G HN 0.688 nan 8.290 nan 0.000 0.510 53 K N -0.456 119.905 120.400 -0.065 0.000 2.464 53 K HA 0.461 4.781 4.320 0.000 0.000 0.253 53 K C -0.198 176.376 176.600 -0.043 0.000 0.933 53 K CA -0.804 55.460 56.287 -0.039 0.000 0.801 53 K CB 1.646 34.142 32.500 -0.007 0.000 1.271 53 K HN 0.034 nan 8.250 nan 0.000 0.430 54 T N 1.969 116.500 114.554 -0.039 0.000 2.751 54 T HA 0.082 4.432 4.350 0.000 0.000 0.290 54 T C 0.042 174.727 174.700 -0.025 0.000 0.919 54 T CA -0.273 61.805 62.100 -0.037 0.000 1.136 54 T CB 0.039 68.885 68.868 -0.035 0.000 0.875 54 T HN 0.142 nan 8.240 nan 0.000 0.532 55 V N 7.114 127.012 119.914 -0.026 0.000 2.408 55 V HA 0.507 4.627 4.120 0.000 0.000 0.267 55 V C 0.239 176.318 176.094 -0.025 0.000 1.047 55 V CA -0.274 62.014 62.300 -0.020 0.000 0.937 55 V CB 0.199 32.014 31.823 -0.013 0.000 0.999 55 V HN 0.920 nan 8.190 nan 0.000 0.472 56 M N 6.029 125.612 119.600 -0.029 0.000 2.569 56 M HA 0.777 5.257 4.480 0.000 0.000 0.279 56 M C -3.134 173.140 176.300 -0.043 0.000 1.253 56 M CA -2.080 53.211 55.300 -0.016 0.000 0.867 56 M CB 2.634 35.248 32.600 0.023 0.000 1.727 56 M HN 0.197 nan 8.290 nan 0.000 0.467 57 P HA 0.275 nan 4.420 nan 0.000 0.274 57 P C -0.026 177.204 177.300 -0.116 0.000 1.231 57 P CA 0.035 63.110 63.100 -0.042 0.000 0.790 57 P CB 0.366 32.069 31.700 0.005 0.000 0.951 58 G N 1.602 110.298 108.800 -0.172 0.000 2.398 58 G HA2 0.280 4.240 3.960 0.000 0.000 0.246 58 G HA3 0.280 4.240 3.960 0.000 0.000 0.246 58 G C -0.570 174.218 174.900 -0.186 0.000 1.289 58 G CA -0.276 44.627 45.100 -0.328 0.000 0.869 58 G HN 0.201 nan 8.290 nan 0.000 0.543 59 F N 0.797 120.628 119.950 -0.198 0.000 2.471 59 F HA 0.377 4.905 4.527 0.000 0.000 0.353 59 F C 0.836 176.613 175.800 -0.038 0.000 1.113 59 F CA -1.070 56.760 58.000 -0.283 0.000 1.262 59 F CB 0.620 39.125 39.000 -0.825 0.000 1.146 59 F HN 0.163 nan 8.300 nan 0.000 0.578 60 I N 2.788 123.504 120.570 0.244 0.000 2.382 60 I HA 0.187 4.357 4.170 0.000 0.000 0.285 60 I C -0.429 175.906 176.117 0.363 0.000 1.007 60 I CA -0.572 60.903 61.300 0.291 0.000 1.142 60 I CB 1.237 39.334 38.000 0.161 0.000 1.289 60 I HN 0.460 nan 8.210 nan 0.000 0.453 61 D N 5.315 126.002 120.400 0.479 0.000 2.249 61 D HA 0.222 4.862 4.640 0.000 0.000 0.246 61 D C 0.028 176.475 176.300 0.245 0.000 1.114 61 D CA -0.328 53.938 54.000 0.443 0.000 0.854 61 D CB 1.878 42.823 40.800 0.242 0.000 1.132 61 D HN 0.580 nan 8.370 nan 0.000 0.461 62 C N 2.705 122.127 119.300 0.204 0.000 2.780 62 C HA 0.207 4.667 4.460 0.000 0.000 0.287 62 C C 0.624 175.674 174.990 0.100 0.000 1.288 62 C CA -0.322 58.757 59.018 0.102 0.000 1.713 62 C CB -1.645 26.129 27.740 0.057 0.000 1.955 62 C HN 0.587 nan 8.230 nan 0.000 0.613 63 H N 0.184 119.245 119.070 -0.015 0.000 2.888 63 H HA 0.422 4.978 4.556 0.000 0.000 0.280 63 H C -0.625 174.623 175.328 -0.133 0.000 1.431 63 H CA -0.174 55.818 56.048 -0.092 0.000 1.573 63 H CB 0.307 30.000 29.762 -0.115 0.000 1.924 63 H HN 0.130 nan 8.280 nan 0.000 0.645 64 V N 0.405 120.262 119.914 -0.096 0.000 3.096 64 V HA 0.600 4.720 4.120 0.000 0.000 0.319 64 V C -0.463 175.534 176.094 -0.162 0.000 1.103 64 V CA -0.718 61.552 62.300 -0.049 0.000 1.016 64 V CB 2.310 34.154 31.823 0.034 0.000 1.090 64 V HN 0.652 nan 8.190 nan 0.000 0.449 65 H N 1.262 120.429 119.070 0.161 0.000 2.675 65 H HA 0.470 5.026 4.556 0.000 0.000 0.258 65 H C 0.723 176.131 175.328 0.133 0.000 1.271 65 H CA -0.412 55.713 56.048 0.129 0.000 1.462 65 H CB 1.360 31.200 29.762 0.130 0.000 1.467 65 H HN 0.518 nan 8.280 nan 0.000 0.501 66 V N 2.153 122.162 119.914 0.159 0.000 2.287 66 V HA -0.251 3.869 4.120 0.000 0.000 0.248 66 V C 2.251 178.347 176.094 0.004 0.000 1.053 66 V CA 1.691 64.006 62.300 0.025 0.000 1.027 66 V CB -0.208 31.622 31.823 0.011 0.000 0.646 66 V HN 0.538 nan 8.190 nan 0.000 0.447 67 L N 0.052 121.302 121.223 0.044 0.000 2.599 67 L HA 0.226 4.566 4.340 0.000 0.000 0.230 67 L C 1.407 178.286 176.870 0.014 0.000 1.141 67 L CA 0.112 54.960 54.840 0.014 0.000 0.877 67 L CB -0.295 41.772 42.059 0.013 0.000 1.009 67 L HN 0.268 nan 8.230 nan 0.000 0.447 68 A N 0.042 122.901 122.820 0.065 0.000 2.785 68 A HA 0.158 4.478 4.320 0.000 0.000 0.294 68 A C 1.589 179.218 177.584 0.075 0.000 1.597 68 A CA 0.413 52.487 52.037 0.061 0.000 1.283 68 A CB -0.151 18.921 19.000 0.119 0.000 1.088 68 A HN 0.411 nan 8.150 nan 0.000 0.568 69 S N 1.934 117.638 115.700 0.007 0.000 2.406 69 S HA -0.065 4.405 4.470 0.000 0.000 0.228 69 S C 0.577 175.164 174.600 -0.021 0.000 1.020 69 S CA 0.732 58.927 58.200 -0.009 0.000 0.965 69 S CB -0.501 62.684 63.200 -0.026 0.000 0.798 69 S HN 0.973 nan 8.310 nan 0.000 0.488 70 N N -1.623 117.055 118.700 -0.036 0.000 2.494 70 N HA 0.687 5.427 4.740 0.000 0.000 0.270 70 N C 0.433 175.905 175.510 -0.064 0.000 1.285 70 N CA -0.371 52.645 53.050 -0.058 0.000 0.812 70 N CB 0.991 39.447 38.487 -0.051 0.000 1.557 70 N HN -0.016 nan 8.380 nan 0.000 0.487 71 A N 0.702 123.489 122.820 -0.056 0.000 1.908 71 A HA -0.166 4.154 4.320 0.000 0.000 0.218 71 A C 0.944 178.487 177.584 -0.068 0.000 1.181 71 A CA 1.502 53.513 52.037 -0.043 0.000 0.627 71 A CB -1.029 17.983 19.000 0.019 0.000 0.818 71 A HN 0.789 nan 8.150 nan 0.000 0.445 72 N N 0.489 119.144 118.700 -0.075 0.000 2.405 72 N HA 0.275 5.015 4.740 0.000 0.000 0.260 72 N C 0.455 175.825 175.510 -0.234 0.000 1.152 72 N CA 0.042 53.014 53.050 -0.131 0.000 0.948 72 N CB 0.245 38.677 38.487 -0.091 0.000 1.111 72 N HN 0.293 nan 8.380 nan 0.000 0.485 73 L N 2.325 123.309 121.223 -0.398 0.000 2.478 73 L HA 0.125 4.465 4.340 0.000 0.000 0.223 73 L C 2.115 178.486 176.870 -0.831 0.000 1.140 73 L CA 0.526 54.982 54.840 -0.641 0.000 0.842 73 L CB -0.323 41.209 42.059 -0.879 0.000 0.953 73 L HN 0.653 nan 8.230 nan 0.000 0.452 74 G N -0.246 108.167 108.800 -0.644 0.000 2.414 74 G HA2 -0.207 3.753 3.960 0.000 0.000 0.215 74 G HA3 -0.207 3.753 3.960 0.000 0.000 0.215 74 G C 1.519 176.304 174.900 -0.192 0.000 1.188 74 G CA 0.774 45.656 45.100 -0.364 0.000 0.783 74 G HN 0.172 nan 8.290 nan 0.000 0.537 75 V N 0.693 120.513 119.914 -0.157 0.000 3.129 75 V HA 0.025 4.145 4.120 0.000 0.000 0.259 75 V C 2.262 178.300 176.094 -0.093 0.000 1.116 75 V CA 1.632 63.877 62.300 -0.092 0.000 1.127 75 V CB -0.291 31.495 31.823 -0.062 0.000 0.742 75 V HN 0.435 nan 8.190 nan 0.000 0.474 76 N N -0.051 118.566 118.700 -0.140 0.000 2.331 76 N HA -0.026 4.714 4.740 0.000 0.000 0.180 76 N C 1.773 177.228 175.510 -0.091 0.000 1.019 76 N CA 1.225 54.205 53.050 -0.116 0.000 0.881 76 N CB -0.134 38.263 38.487 -0.150 0.000 0.972 76 N HN 0.495 nan 8.380 nan 0.000 0.435 77 A N -0.523 122.234 122.820 -0.105 0.000 1.930 77 A HA -0.076 4.244 4.320 0.000 0.000 0.215 77 A C 2.146 179.727 177.584 -0.006 0.000 1.176 77 A CA 1.761 53.778 52.037 -0.034 0.000 0.632 77 A CB -1.028 17.978 19.000 0.010 0.000 0.819 77 A HN 0.488 nan 8.150 nan 0.000 0.445 78 T N -0.682 113.862 114.554 -0.018 0.000 3.113 78 T HA 0.049 4.399 4.350 0.000 0.000 0.256 78 T C 0.936 175.634 174.700 -0.003 0.000 1.131 78 T CA 0.393 62.492 62.100 -0.001 0.000 1.074 78 T CB -0.607 68.258 68.868 -0.004 0.000 0.944 78 T HN 0.722 nan 8.240 nan 0.000 0.516 79 Q N 1.704 121.496 119.800 -0.013 0.000 2.421 79 Q HA 0.342 4.682 4.340 0.000 0.000 0.255 79 Q C -2.744 173.255 176.000 -0.001 0.000 1.013 79 Q CA -1.953 53.844 55.803 -0.010 0.000 0.895 79 Q CB -0.161 28.566 28.738 -0.018 0.000 1.271 79 Q HN 0.121 nan 8.270 nan 0.000 0.460 80 P HA 0.052 nan 4.420 nan 0.000 0.272 80 P C -0.342 176.962 177.300 0.006 0.000 1.223 80 P CA -0.322 62.780 63.100 0.003 0.000 0.784 80 P CB 0.575 32.274 31.700 -0.002 0.000 0.923 81 N N 1.124 119.831 118.700 0.012 0.000 2.120 81 N HA -0.127 4.613 4.740 0.000 0.000 0.188 81 N C 1.557 177.073 175.510 0.011 0.000 1.024 81 N CA 1.235 54.296 53.050 0.018 0.000 0.852 81 N CB -0.635 37.868 38.487 0.026 0.000 1.003 81 N HN 0.338 nan 8.380 nan 0.000 0.424 82 I N 0.744 121.317 120.570 0.005 0.000 2.113 82 I HA -0.196 3.974 4.170 0.000 0.000 0.238 82 I C 2.119 178.234 176.117 -0.002 0.000 1.070 82 I CA 1.046 62.347 61.300 0.001 0.000 1.332 82 I CB -1.113 36.886 38.000 -0.002 0.000 1.044 82 I HN 0.149 nan 8.210 nan 0.000 0.402 83 L N 0.305 121.526 121.223 -0.004 0.000 2.201 83 L HA -0.124 4.217 4.340 0.000 0.000 0.212 83 L C 2.676 179.541 176.870 -0.009 0.000 1.105 83 L CA 0.850 55.686 54.840 -0.007 0.000 0.775 83 L CB -0.427 41.628 42.059 -0.008 0.000 0.913 83 L HN 0.191 nan 8.230 nan 0.000 0.440 84 A N 0.012 122.828 122.820 -0.006 0.000 1.855 84 A HA -0.176 4.144 4.320 0.000 0.000 0.215 84 A C 2.516 180.095 177.584 -0.009 0.000 1.191 84 A CA 1.659 53.692 52.037 -0.007 0.000 0.613 84 A CB -0.729 18.271 19.000 -0.001 0.000 0.829 84 A HN 0.382 nan 8.150 nan 0.000 0.442 85 A N -0.262 122.555 122.820 -0.004 0.000 1.933 85 A HA -0.057 4.263 4.320 0.000 0.000 0.218 85 A C 1.978 179.553 177.584 -0.015 0.000 1.175 85 A CA 1.678 53.710 52.037 -0.007 0.000 0.628 85 A CB -0.493 18.506 19.000 -0.001 0.000 0.814 85 A HN 0.394 nan 8.150 nan 0.000 0.444 86 I N -0.054 120.508 120.570 -0.014 0.000 2.179 86 I HA -0.175 3.995 4.170 0.000 0.000 0.242 86 I C 2.442 178.545 176.117 -0.023 0.000 1.088 86 I CA 1.351 62.641 61.300 -0.017 0.000 1.357 86 I CB -1.263 36.729 38.000 -0.013 0.000 1.051 86 I HN 0.338 nan 8.210 nan 0.000 0.409 87 R N 0.527 121.012 120.500 -0.024 0.000 2.235 87 R HA -0.069 4.272 4.340 0.000 0.000 0.213 87 R C 2.257 178.529 176.300 -0.046 0.000 1.059 87 R CA 1.298 57.379 56.100 -0.031 0.000 0.997 87 R CB -0.254 30.029 30.300 -0.029 0.000 0.884 87 R HN 0.490 nan 8.270 nan 0.000 0.462 88 S N 0.449 116.122 115.700 -0.045 0.000 2.489 88 S HA 0.016 4.486 4.470 0.000 0.000 0.228 88 S C 1.967 176.526 174.600 -0.068 0.000 0.995 88 S CA 0.363 58.525 58.200 -0.064 0.000 0.934 88 S CB -0.161 63.012 63.200 -0.046 0.000 0.771 88 S HN 0.208 nan 8.310 nan 0.000 0.522 89 L N 1.134 122.328 121.223 -0.050 0.000 2.093 89 L HA 0.045 4.385 4.340 0.000 0.000 0.208 89 L C -0.616 176.227 176.870 -0.044 0.000 1.085 89 L CA 1.055 55.868 54.840 -0.044 0.000 0.755 89 L CB -1.823 40.216 42.059 -0.033 0.000 0.904 89 L HN 0.282 nan 8.230 nan 0.000 0.435 90 P HA -0.117 nan 4.420 nan 0.000 0.217 90 P C 1.860 179.123 177.300 -0.062 0.000 1.151 90 P CA 1.297 64.372 63.100 -0.042 0.000 0.828 90 P CB 0.092 31.770 31.700 -0.036 0.000 0.788 91 I N -1.533 118.973 120.570 -0.108 0.000 2.286 91 I HA -0.217 3.953 4.170 0.000 0.000 0.248 91 I C 2.193 178.213 176.117 -0.161 0.000 1.115 91 I CA 1.289 62.468 61.300 -0.202 0.000 1.392 91 I CB -0.611 37.176 38.000 -0.355 0.000 1.065 91 I HN -0.091 nan 8.210 nan 0.000 0.418 92 L N 0.292 121.452 121.223 -0.105 0.000 2.056 92 L HA -0.218 4.122 4.340 0.000 0.000 0.207 92 L C 2.230 179.087 176.870 -0.021 0.000 1.078 92 L CA 1.406 56.211 54.840 -0.059 0.000 0.749 92 L CB -0.471 41.560 42.059 -0.047 0.000 0.901 92 L HN 0.208 nan 8.230 nan 0.000 0.433 93 D N -0.199 120.188 120.400 -0.021 0.000 2.097 93 D HA -0.184 4.457 4.640 0.000 0.000 0.195 93 D C 2.188 178.501 176.300 0.021 0.000 0.989 93 D CA 1.399 55.399 54.000 -0.001 0.000 0.827 93 D CB 0.082 40.877 40.800 -0.007 0.000 0.966 93 D HN 0.247 nan 8.370 nan 0.000 0.456 94 A N 0.101 122.930 122.820 0.015 0.000 1.908 94 A HA -0.189 4.131 4.320 0.000 0.000 0.218 94 A C 2.372 180.012 177.584 0.094 0.000 1.181 94 A CA 1.692 53.756 52.037 0.045 0.000 0.627 94 A CB -0.638 18.382 19.000 0.033 0.000 0.818 94 A HN 0.307 nan 8.150 nan 0.000 0.445 95 M N -1.456 118.193 119.600 0.081 0.000 2.117 95 M HA -0.135 4.345 4.480 0.000 0.000 0.262 95 M C 2.224 178.682 176.300 0.263 0.000 1.065 95 M CA 1.555 56.943 55.300 0.147 0.000 1.114 95 M CB -0.410 32.218 32.600 0.047 0.000 1.361 95 M HN 0.476 nan 8.290 nan 0.000 0.408 96 L N 0.374 121.690 121.223 0.156 0.000 2.056 96 L HA -0.142 4.198 4.340 0.000 0.000 0.207 96 L C 2.594 179.525 176.870 0.102 0.000 1.078 96 L CA 2.110 57.026 54.840 0.126 0.000 0.749 96 L CB -0.576 41.520 42.059 0.062 0.000 0.901 96 L HN 0.346 nan 8.230 nan 0.000 0.433 97 S N -1.369 114.387 115.700 0.093 0.000 2.481 97 S HA -0.092 4.378 4.470 0.000 0.000 0.231 97 S C 1.870 176.533 174.600 0.105 0.000 0.996 97 S CA 0.379 58.621 58.200 0.070 0.000 0.942 97 S CB -0.557 62.674 63.200 0.052 0.000 0.768 97 S HN 0.513 nan 8.310 nan 0.000 0.520 98 R N 0.748 121.370 120.500 0.203 0.000 2.356 98 R HA 0.273 4.613 4.340 0.000 0.000 0.234 98 R C 1.314 177.799 176.300 0.308 0.000 0.929 98 R CA 0.397 56.677 56.100 0.301 0.000 1.084 98 R CB -0.151 30.416 30.300 0.445 0.000 1.105 98 R HN 0.600 nan 8.270 nan 0.000 0.515 99 G N 0.432 109.291 108.800 0.098 0.000 2.157 99 G HA2 -0.275 3.685 3.960 0.000 0.000 0.239 99 G HA3 -0.275 3.685 3.960 0.000 0.000 0.239 99 G C -0.089 174.553 174.900 -0.429 0.000 0.982 99 G CA -0.497 44.429 45.100 -0.291 0.000 0.650 99 G HN 0.233 nan 8.290 nan 0.000 0.527 100 F N 1.981 121.963 119.950 0.054 0.000 2.413 100 F HA 0.459 4.986 4.527 0.000 0.000 0.359 100 F C 1.850 177.666 175.800 0.027 0.000 1.122 100 F CA 0.527 58.589 58.000 0.104 0.000 1.160 100 F CB 1.533 40.648 39.000 0.192 0.000 1.146 100 F HN 0.104 nan 8.300 nan 0.000 0.514 101 T N -2.260 112.363 114.554 0.115 0.000 3.037 101 T HA 0.173 4.523 4.350 0.000 0.000 0.252 101 T C 0.498 175.276 174.700 0.129 0.000 1.073 101 T CA 0.022 62.164 62.100 0.070 0.000 1.091 101 T CB 0.114 68.978 68.868 -0.008 0.000 0.935 101 T HN 0.308 nan 8.240 nan 0.000 0.488 102 S N 1.094 116.925 115.700 0.218 0.000 2.619 102 S HA 0.679 5.149 4.470 0.000 0.000 0.280 102 S C -0.753 174.042 174.600 0.325 0.000 1.150 102 S CA -0.853 57.513 58.200 0.278 0.000 0.978 102 S CB 2.197 65.620 63.200 0.370 0.000 1.041 102 S HN 0.596 nan 8.310 nan 0.000 0.485 103 V N 1.006 121.095 119.914 0.293 0.000 2.864 103 V HA 0.735 4.856 4.120 0.000 0.000 0.314 103 V C -0.521 175.752 176.094 0.298 0.000 1.073 103 V CA -1.198 61.249 62.300 0.246 0.000 0.956 103 V CB 1.860 33.765 31.823 0.137 0.000 1.023 103 V HN 0.864 nan 8.190 nan 0.000 0.435 104 R N 1.941 122.558 120.500 0.196 0.000 2.272 104 R HA 0.393 4.734 4.340 0.000 0.000 0.323 104 R C -0.753 175.571 176.300 0.039 0.000 1.002 104 R CA -0.369 55.825 56.100 0.156 0.000 0.900 104 R CB 0.735 31.068 30.300 0.054 0.000 1.151 104 R HN 1.043 nan 8.270 nan 0.000 0.507 105 D N 2.552 122.983 120.400 0.052 0.000 2.390 105 D HA 0.111 4.751 4.640 0.000 0.000 0.249 105 D C 0.095 176.356 176.300 -0.065 0.000 1.144 105 D CA 0.151 54.150 54.000 -0.002 0.000 0.880 105 D CB 1.268 42.099 40.800 0.053 0.000 1.182 105 D HN 0.587 nan 8.370 nan 0.000 0.451 106 A N 3.509 126.220 122.820 -0.181 0.000 2.684 106 A HA 0.612 4.932 4.320 0.000 0.000 0.288 106 A C 0.554 178.198 177.584 0.099 0.000 1.337 106 A CA 0.220 52.114 52.037 -0.238 0.000 0.946 106 A CB -0.621 17.847 19.000 -0.888 0.000 1.093 106 A HN 0.817 nan 8.150 nan 0.000 0.543 107 G N -2.295 106.588 108.800 0.139 0.000 2.957 107 G HA2 0.495 4.456 3.960 0.000 0.000 0.636 107 G HA3 0.495 4.456 3.960 0.000 0.000 0.636 107 G C 0.520 175.497 174.900 0.129 0.000 1.401 107 G CA 0.262 45.446 45.100 0.138 0.000 0.941 107 G HN 2.030 nan 8.290 nan 0.000 0.610 108 G N 0.527 109.368 108.800 0.068 0.000 3.178 108 G HA2 0.387 4.348 3.960 0.000 0.000 0.200 108 G HA3 0.387 4.348 3.960 0.000 0.000 0.200 108 G C 1.122 176.054 174.900 0.052 0.000 1.831 108 G CA 1.278 46.408 45.100 0.050 0.000 1.470 108 G HN 2.595 nan 8.290 nan 0.000 0.591 109 A N 1.888 124.745 122.820 0.062 0.000 2.477 109 A HA 0.551 4.871 4.320 0.000 0.000 0.246 109 A C 0.456 178.074 177.584 0.057 0.000 1.078 109 A CA 1.150 53.216 52.037 0.048 0.000 0.770 109 A CB 0.037 19.061 19.000 0.039 0.000 1.011 109 A HN 1.060 nan 8.150 nan 0.000 0.494 110 D N 0.731 121.170 120.400 0.064 0.000 2.588 110 D HA 0.132 4.772 4.640 0.000 0.000 0.268 110 D C 0.713 177.096 176.300 0.138 0.000 1.176 110 D CA -0.852 53.212 54.000 0.107 0.000 1.080 110 D CB -0.202 40.669 40.800 0.118 0.000 1.186 110 D HN 0.548 nan 8.370 nan 0.000 0.619 111 W N 0.437 121.728 121.300 -0.014 0.000 2.392 111 W HA -0.125 4.535 4.660 0.000 0.000 0.279 111 W C 1.934 178.439 176.519 -0.022 0.000 1.225 111 W CA 2.049 59.382 57.345 -0.022 0.000 1.233 111 W CB -0.176 29.273 29.460 -0.018 0.000 1.122 111 W HN 0.308 nan 8.180 nan 0.000 0.561 112 S N 0.865 116.636 115.700 0.119 0.000 2.359 112 S HA -0.258 4.212 4.470 0.000 0.000 0.224 112 S C 1.868 176.377 174.600 -0.151 0.000 1.035 112 S CA 1.623 59.801 58.200 -0.035 0.000 1.018 112 S CB -0.908 62.331 63.200 0.066 0.000 0.876 112 S HN 0.321 nan 8.310 nan 0.000 0.448 113 L N 0.727 121.895 121.223 -0.091 0.000 2.141 113 L HA 0.003 4.344 4.340 0.000 0.000 0.209 113 L C 2.609 179.382 176.870 -0.163 0.000 1.094 113 L CA 0.965 55.743 54.840 -0.102 0.000 0.763 113 L CB -0.332 41.696 42.059 -0.052 0.000 0.908 113 L HN 0.383 nan 8.230 nan 0.000 0.437 114 M N -1.084 118.387 119.600 -0.216 0.000 2.175 114 M HA -0.218 4.262 4.480 0.000 0.000 0.264 114 M C 2.265 178.336 176.300 -0.382 0.000 1.063 114 M CA 1.568 56.698 55.300 -0.284 0.000 1.119 114 M CB 0.008 32.434 32.600 -0.289 0.000 1.377 114 M HN 0.240 nan 8.290 nan 0.000 0.415 115 Q N -0.041 119.432 119.800 -0.546 0.000 2.079 115 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 115 Q C 2.125 177.940 176.000 -0.309 0.000 0.974 115 Q CA 1.746 57.220 55.803 -0.548 0.000 0.840 115 Q CB -0.492 27.769 28.738 -0.796 0.000 0.898 115 Q HN 0.672 nan 8.270 nan 0.000 0.430 116 A N 0.782 123.458 122.820 -0.240 0.000 1.933 116 A HA -0.136 4.184 4.320 0.000 0.000 0.218 116 A C 2.299 179.807 177.584 -0.127 0.000 1.175 116 A CA 1.882 53.828 52.037 -0.151 0.000 0.628 116 A CB -0.732 18.200 19.000 -0.113 0.000 0.814 116 A HN 0.287 nan 8.150 nan 0.000 0.444 117 V N -2.459 117.373 119.914 -0.136 0.000 2.323 117 V HA -0.146 3.975 4.120 0.000 0.000 0.244 117 V C 1.913 177.939 176.094 -0.113 0.000 1.041 117 V CA 2.003 64.237 62.300 -0.110 0.000 1.025 117 V CB -1.084 30.678 31.823 -0.101 0.000 0.656 117 V HN 0.534 nan 8.190 nan 0.000 0.451 118 E N 1.191 121.302 120.200 -0.147 0.000 2.204 118 E HA -0.105 4.245 4.350 0.000 0.000 0.194 118 E C 1.943 178.477 176.600 -0.109 0.000 0.989 118 E CA 1.677 57.997 56.400 -0.133 0.000 0.824 118 E CB -0.153 29.448 29.700 -0.165 0.000 0.756 118 E HN 0.867 nan 8.360 nan 0.000 0.477 119 T N -2.822 111.662 114.554 -0.117 0.000 3.223 119 T HA 0.323 4.673 4.350 0.000 0.000 0.259 119 T C 1.220 175.878 174.700 -0.071 0.000 1.015 119 T CA 0.236 62.283 62.100 -0.089 0.000 0.908 119 T CB 0.442 69.253 68.868 -0.095 0.000 1.054 119 T HN 0.171 nan 8.240 nan 0.000 0.567 120 G N 1.227 109.985 108.800 -0.069 0.000 2.233 120 G HA2 -0.267 3.693 3.960 0.000 0.000 0.270 120 G HA3 -0.267 3.693 3.960 0.000 0.000 0.270 120 G C 0.511 175.382 174.900 -0.048 0.000 1.011 120 G CA 0.536 45.605 45.100 -0.053 0.000 0.762 120 G HN 0.581 nan 8.290 nan 0.000 0.511 121 L N -0.857 120.331 121.223 -0.058 0.000 2.418 121 L HA 0.497 4.837 4.340 0.000 0.000 0.218 121 L C 0.993 177.836 176.870 -0.046 0.000 1.125 121 L CA 0.883 55.694 54.840 -0.050 0.000 0.835 121 L CB 0.584 42.609 42.059 -0.057 0.000 0.953 121 L HN 0.152 nan 8.230 nan 0.000 0.454 122 V N -0.989 118.894 119.914 -0.052 0.000 2.686 122 V HA 0.309 4.429 4.120 0.000 0.000 0.306 122 V C -0.269 175.800 176.094 -0.041 0.000 1.065 122 V CA -0.772 61.501 62.300 -0.046 0.000 0.894 122 V CB 1.925 33.717 31.823 -0.053 0.000 1.004 122 V HN 0.036 nan 8.190 nan 0.000 0.424 123 S N 3.269 118.951 115.700 -0.030 0.000 2.510 123 S HA 0.732 5.203 4.470 0.000 0.000 0.279 123 S C 0.219 174.806 174.600 -0.021 0.000 1.284 123 S CA 0.663 58.850 58.200 -0.023 0.000 1.059 123 S CB 0.126 63.318 63.200 -0.014 0.000 0.901 123 S HN 1.487 nan 8.310 nan 0.000 0.491 124 G N 4.651 113.441 108.800 -0.017 0.000 2.313 124 G HA2 0.388 4.348 3.960 0.000 0.000 0.296 124 G HA3 0.388 4.348 3.960 0.000 0.000 0.296 124 G C -3.520 171.380 174.900 0.001 0.000 1.356 124 G CA -0.845 44.251 45.100 -0.007 0.000 0.833 124 G HN 0.520 nan 8.290 nan 0.000 0.552 125 P HA 0.348 nan 4.420 nan 0.000 0.275 125 P C -0.371 176.925 177.300 -0.007 0.000 1.266 125 P CA -0.528 62.597 63.100 0.042 0.000 0.793 125 P CB 0.742 32.506 31.700 0.107 0.000 1.074 126 R N 0.662 121.153 120.500 -0.014 0.000 2.442 126 R HA 0.346 4.686 4.340 0.000 0.000 0.291 126 R C -0.444 175.782 176.300 -0.122 0.000 1.069 126 R CA -0.071 55.959 56.100 -0.117 0.000 1.022 126 R CB -0.542 29.664 30.300 -0.157 0.000 0.976 126 R HN 0.346 nan 8.270 nan 0.000 0.443 127 I N 4.762 125.207 120.570 -0.208 0.000 2.412 127 I HA 0.261 4.431 4.170 0.000 0.000 0.296 127 I C -0.732 175.222 176.117 -0.270 0.000 0.987 127 I CA -0.721 60.507 61.300 -0.121 0.000 1.180 127 I CB 1.393 39.350 38.000 -0.072 0.000 1.340 127 I HN 0.557 nan 8.210 nan 0.000 0.455 128 F N 6.904 126.862 119.950 0.013 0.000 2.307 128 F HA 0.361 4.888 4.527 0.000 0.000 0.369 128 F C -2.103 173.700 175.800 0.005 0.000 1.076 128 F CA -2.336 55.674 58.000 0.017 0.000 1.149 128 F CB 0.652 39.668 39.000 0.027 0.000 1.410 128 F HN 0.199 nan 8.300 nan 0.000 0.481 129 P HA 0.140 nan 4.420 nan 0.000 0.275 129 P C 0.030 177.368 177.300 0.064 0.000 1.228 129 P CA -0.163 62.986 63.100 0.083 0.000 0.786 129 P CB 1.786 33.533 31.700 0.079 0.000 0.927 130 S N 0.698 116.421 115.700 0.037 0.000 2.524 130 S HA 0.285 4.755 4.470 0.000 0.000 0.215 130 S C 1.294 175.903 174.600 0.014 0.000 0.986 130 S CA 0.419 58.622 58.200 0.004 0.000 0.911 130 S CB -0.306 62.887 63.200 -0.012 0.000 0.805 130 S HN 0.878 nan 8.310 nan 0.000 0.501 131 G N 2.466 111.288 108.800 0.036 0.000 2.609 131 G HA2 -0.246 3.715 3.960 0.000 0.000 0.288 131 G HA3 -0.246 3.715 3.960 0.000 0.000 0.288 131 G C -0.504 174.414 174.900 0.031 0.000 1.211 131 G CA 0.075 45.196 45.100 0.035 0.000 0.963 131 G HN 0.355 nan 8.290 nan 0.000 0.541 132 K N 1.257 121.667 120.400 0.017 0.000 2.259 132 K HA 0.750 5.070 4.320 0.000 0.000 0.249 132 K C 0.282 176.894 176.600 0.021 0.000 0.942 132 K CA -0.005 56.293 56.287 0.018 0.000 0.816 132 K CB 1.904 34.406 32.500 0.004 0.000 1.155 132 K HN 1.147 nan 8.250 nan 0.000 0.428 133 A N 3.225 126.064 122.820 0.033 0.000 2.440 133 A HA 0.310 4.630 4.320 0.000 0.000 0.251 133 A C 0.137 177.744 177.584 0.037 0.000 1.089 133 A CA -0.342 51.721 52.037 0.043 0.000 0.779 133 A CB -0.082 18.955 19.000 0.061 0.000 1.022 133 A HN 0.619 nan 8.150 nan 0.000 0.492 134 L N 2.332 123.597 121.223 0.071 0.000 2.305 134 L HA 0.503 4.843 4.340 0.000 0.000 0.281 134 L C 0.647 177.615 176.870 0.163 0.000 1.085 134 L CA -0.059 54.855 54.840 0.123 0.000 0.813 134 L CB 1.217 43.364 42.059 0.147 0.000 1.157 134 L HN 0.749 nan 8.230 nan 0.000 0.436 135 S N 1.988 117.739 115.700 0.086 0.000 2.564 135 S HA 0.454 4.924 4.470 0.000 0.000 0.274 135 S C -0.776 173.715 174.600 -0.181 0.000 1.124 135 S CA -0.836 57.289 58.200 -0.124 0.000 0.869 135 S CB 1.970 65.062 63.200 -0.179 0.000 1.105 135 S HN 0.650 nan 8.310 nan 0.000 0.472 136 Q N 1.394 120.896 119.800 -0.498 0.000 2.316 136 Q HA 0.527 4.868 4.340 0.000 0.000 0.215 136 Q C -0.424 175.473 176.000 -0.172 0.000 1.020 136 Q CA -0.664 54.956 55.803 -0.305 0.000 0.970 136 Q CB -0.227 28.250 28.738 -0.434 0.000 1.187 136 Q HN 0.496 nan 8.270 nan 0.000 0.546 137 T N 0.714 115.211 114.554 -0.095 0.000 2.888 137 T HA 0.363 4.713 4.350 0.000 0.000 0.301 137 T C 1.000 175.649 174.700 -0.084 0.000 1.001 137 T CA 0.606 62.661 62.100 -0.076 0.000 1.147 137 T CB 0.223 69.068 68.868 -0.037 0.000 0.931 137 T HN 0.963 nan 8.240 nan 0.000 0.541 138 G N 2.586 111.333 108.800 -0.088 0.000 2.155 138 G HA2 -0.179 3.781 3.960 0.000 0.000 0.257 138 G HA3 -0.179 3.781 3.960 0.000 0.000 0.257 138 G C 0.539 175.384 174.900 -0.092 0.000 0.983 138 G CA 0.001 45.056 45.100 -0.075 0.000 0.676 138 G HN 1.126 nan 8.290 nan 0.000 0.528 139 G N -1.807 106.908 108.800 -0.142 0.000 2.525 139 G HA2 0.449 4.409 3.960 0.000 0.000 0.287 139 G HA3 0.449 4.409 3.960 0.000 0.000 0.287 139 G C 0.601 175.411 174.900 -0.150 0.000 1.350 139 G CA 0.492 45.504 45.100 -0.147 0.000 1.039 139 G HN 0.514 nan 8.290 nan 0.000 0.513 140 H N -0.961 117.981 119.070 -0.214 0.000 2.491 140 H HA -0.005 4.552 4.556 0.000 0.000 0.290 140 H C 2.364 177.444 175.328 -0.413 0.000 1.050 140 H CA 1.959 57.873 56.048 -0.224 0.000 1.309 140 H CB -0.093 29.540 29.762 -0.215 0.000 1.392 140 H HN 0.422 nan 8.280 nan 0.000 0.554 141 G N -1.038 107.436 108.800 -0.544 0.000 2.838 141 G HA2 -0.089 3.871 3.960 0.000 0.000 0.210 141 G HA3 -0.089 3.871 3.960 0.000 0.000 0.210 141 G C 0.100 174.357 174.900 -1.072 0.000 1.153 141 G CA 0.056 44.666 45.100 -0.816 0.000 0.778 141 G HN 0.306 nan 8.290 nan 0.000 0.539 142 D N 0.387 120.363 120.400 -0.705 0.000 2.352 142 D HA 0.193 4.833 4.640 0.000 0.000 0.245 142 D C -0.166 175.858 176.300 -0.461 0.000 1.224 142 D CA -0.644 53.074 54.000 -0.470 0.000 0.879 142 D CB 0.384 41.042 40.800 -0.238 0.000 1.057 142 D HN 0.049 nan 8.370 nan 0.000 0.491 143 F N 2.232 122.143 119.950 -0.066 0.000 2.645 143 F HA 0.243 4.770 4.527 0.000 0.000 0.300 143 F C 1.318 177.098 175.800 -0.034 0.000 1.115 143 F CA -0.397 57.568 58.000 -0.058 0.000 1.355 143 F CB -0.091 38.868 39.000 -0.068 0.000 1.026 143 F HN -0.013 nan 8.300 nan 0.000 0.536 144 R N 2.228 122.777 120.500 0.081 0.000 2.491 144 R HA 0.177 4.518 4.340 0.000 0.000 0.283 144 R C -1.912 174.416 176.300 0.048 0.000 1.072 144 R CA -1.413 54.720 56.100 0.055 0.000 1.048 144 R CB 0.107 30.419 30.300 0.020 0.000 0.983 144 R HN -0.002 nan 8.270 nan 0.000 0.450 145 P HA 0.036 nan 4.420 nan 0.000 0.302 145 P C -0.404 176.910 177.300 0.024 0.000 1.301 145 P CA -0.244 62.878 63.100 0.036 0.000 0.745 145 P CB 0.557 32.276 31.700 0.031 0.000 1.331 146 R N -0.914 119.599 120.500 0.020 0.000 2.555 146 R HA 0.199 4.539 4.340 0.000 0.000 0.272 146 R C 1.695 178.003 176.300 0.012 0.000 1.089 146 R CA 0.145 56.254 56.100 0.015 0.000 1.126 146 R CB -0.976 29.333 30.300 0.015 0.000 1.250 146 R HN 0.595 nan 8.270 nan 0.000 0.551 147 G N -0.470 108.338 108.800 0.013 0.000 2.654 147 G HA2 -0.066 3.894 3.960 0.000 0.000 0.215 147 G HA3 -0.066 3.894 3.960 0.000 0.000 0.215 147 G C 0.018 174.923 174.900 0.010 0.000 1.310 147 G CA 0.555 45.662 45.100 0.012 0.000 0.866 147 G HN 0.302 nan 8.290 nan 0.000 0.558 148 D N -1.895 118.511 120.400 0.010 0.000 2.665 148 D HA 0.404 5.044 4.640 0.000 0.000 0.287 148 D C -1.314 174.991 176.300 0.009 0.000 1.266 148 D CA -0.475 53.530 54.000 0.008 0.000 0.830 148 D CB 1.680 42.485 40.800 0.008 0.000 1.356 148 D HN 0.000 nan 8.370 nan 0.000 0.437 149 L N 1.749 122.976 121.223 0.007 0.000 2.324 149 L HA 0.456 4.796 4.340 0.000 0.000 0.274 149 L C -0.368 176.506 176.870 0.008 0.000 1.012 149 L CA -0.386 54.458 54.840 0.006 0.000 0.859 149 L CB 1.096 43.156 42.059 0.002 0.000 1.224 149 L HN 0.088 nan 8.230 nan 0.000 0.429 150 L N 2.141 123.371 121.223 0.011 0.000 2.360 150 L HA 0.398 4.738 4.340 0.000 0.000 0.271 150 L C 0.522 177.400 176.870 0.014 0.000 1.057 150 L CA -0.755 54.092 54.840 0.013 0.000 0.803 150 L CB 1.453 43.522 42.059 0.016 0.000 1.207 150 L HN 0.513 nan 8.230 nan 0.000 0.445 151 E N 2.734 122.943 120.200 0.015 0.000 2.366 151 E HA 0.115 4.465 4.350 0.000 0.000 0.266 151 E C -2.103 174.510 176.600 0.022 0.000 1.015 151 E CA -1.269 55.140 56.400 0.015 0.000 0.906 151 E CB 0.399 30.108 29.700 0.016 0.000 0.979 151 E HN 0.266 nan 8.360 nan 0.000 0.443 152 P HA 0.153 nan 4.420 nan 0.000 0.282 152 P C 0.023 177.328 177.300 0.008 0.000 1.468 152 P CA -0.480 62.633 63.100 0.023 0.000 1.017 152 P CB 0.303 32.012 31.700 0.015 0.000 1.186 153 C N 1.001 120.318 119.300 0.029 0.000 2.791 153 C HA 0.117 4.577 4.460 0.000 0.000 0.270 153 C C 1.852 176.808 174.990 -0.056 0.000 1.257 153 C CA 0.510 59.513 59.018 -0.024 0.000 1.699 153 C CB -1.468 26.283 27.740 0.018 0.000 1.904 153 C HN 0.479 nan 8.230 nan 0.000 0.603 154 S N -0.165 115.594 115.700 0.099 0.000 2.522 154 S HA -0.073 4.397 4.470 0.000 0.000 0.227 154 S C 1.575 176.217 174.600 0.069 0.000 0.986 154 S CA 1.099 59.430 58.200 0.219 0.000 0.929 154 S CB -1.233 62.096 63.200 0.214 0.000 0.769 154 S HN 0.764 nan 8.310 nan 0.000 0.529 155 C N 1.154 120.443 119.300 -0.018 0.000 2.385 155 C HA -0.154 4.306 4.460 0.000 0.000 0.275 155 C C 2.981 177.938 174.990 -0.055 0.000 1.207 155 C CA 0.755 59.757 59.018 -0.027 0.000 1.760 155 C CB -1.775 25.937 27.740 -0.046 0.000 2.051 155 C HN 0.744 nan 8.230 nan 0.000 0.467 156 C N -0.535 118.664 119.300 -0.169 0.000 2.475 156 C HA 0.018 4.478 4.460 0.000 0.000 0.279 156 C C 2.430 177.366 174.990 -0.089 0.000 1.322 156 C CA 0.517 59.426 59.018 -0.181 0.000 1.734 156 C CB -1.501 26.055 27.740 -0.306 0.000 2.005 156 C HN 0.611 nan 8.230 nan 0.000 0.495 157 F N 0.940 120.897 119.950 0.011 0.000 2.102 157 F HA -0.067 4.460 4.527 0.001 0.000 0.298 157 F C 1.461 177.268 175.800 0.012 0.000 1.105 157 F CA 0.524 58.530 58.000 0.011 0.000 1.239 157 F CB -0.214 38.791 39.000 0.008 0.000 0.991 157 F HN 0.027 nan 8.300 nan 0.000 0.474 158 R N 1.711 122.331 120.500 0.200 0.000 2.343 158 R HA 0.018 4.358 4.340 0.000 0.000 0.326 158 R C 1.164 177.511 176.300 0.079 0.000 1.055 158 R CA 0.514 56.683 56.100 0.115 0.000 0.961 158 R CB -0.368 29.985 30.300 0.088 0.000 0.978 158 R HN 0.278 nan 8.270 nan 0.000 0.443 159 T N -1.047 113.547 114.554 0.067 0.000 2.951 159 T HA -0.059 4.292 4.350 0.000 0.000 0.268 159 T C 1.671 176.390 174.700 0.031 0.000 1.073 159 T CA 1.022 63.152 62.100 0.050 0.000 1.134 159 T CB 0.127 69.022 68.868 0.046 0.000 0.884 159 T HN 0.570 nan 8.240 nan 0.000 0.479 160 G N 0.885 109.698 108.800 0.022 0.000 2.985 160 G HA2 0.483 4.443 3.960 0.000 0.000 0.209 160 G HA3 0.483 4.443 3.960 0.000 0.000 0.209 160 G C 0.509 175.407 174.900 -0.004 0.000 1.165 160 G CA -0.013 45.087 45.100 0.001 0.000 0.776 160 G HN 0.821 nan 8.290 nan 0.000 0.541 161 A N 0.704 123.537 122.820 0.022 0.000 2.409 161 A HA 0.524 4.844 4.320 0.000 0.000 0.267 161 A C 1.308 178.913 177.584 0.036 0.000 1.127 161 A CA -0.498 51.566 52.037 0.045 0.000 0.795 161 A CB 0.463 19.501 19.000 0.063 0.000 1.061 161 A HN 0.066 nan 8.150 nan 0.000 0.502 162 I N 1.327 121.926 120.570 0.047 0.000 2.252 162 I HA -0.066 4.104 4.170 0.000 0.000 0.245 162 I C 1.488 177.626 176.117 0.035 0.000 1.102 162 I CA 1.888 63.189 61.300 0.002 0.000 1.385 162 I CB -1.235 36.730 38.000 -0.059 0.000 1.064 162 I HN 0.682 nan 8.210 nan 0.000 0.414 163 A N 0.875 123.728 122.820 0.055 0.000 2.479 163 A HA 0.746 5.066 4.320 0.000 0.000 0.296 163 A C -0.062 177.511 177.584 -0.018 0.000 1.121 163 A CA -0.674 51.360 52.037 -0.004 0.000 0.743 163 A CB 1.578 20.528 19.000 -0.084 0.000 1.323 163 A HN 0.279 nan 8.150 nan 0.000 0.415 164 R N -0.259 120.224 120.500 -0.029 0.000 2.803 164 R HA 0.754 5.094 4.340 0.000 0.000 0.276 164 R C -1.741 174.534 176.300 -0.042 0.000 0.978 164 R CA -0.726 55.352 56.100 -0.036 0.000 0.939 164 R CB 1.561 31.840 30.300 -0.034 0.000 1.179 164 R HN 0.273 nan 8.270 nan 0.000 0.472 165 V N 2.878 122.764 119.914 -0.046 0.000 2.333 165 V HA 0.328 4.449 4.120 0.000 0.000 0.274 165 V C -0.087 176.008 176.094 0.000 0.000 1.028 165 V CA -0.515 61.762 62.300 -0.040 0.000 0.851 165 V CB 0.955 32.741 31.823 -0.063 0.000 1.000 165 V HN 0.629 nan 8.190 nan 0.000 0.456 166 V N 1.534 121.482 119.914 0.056 0.000 2.735 166 V HA 0.856 4.976 4.120 0.000 0.000 0.310 166 V C -1.119 175.077 176.094 0.169 0.000 1.061 166 V CA -0.751 61.597 62.300 0.079 0.000 0.913 166 V CB 2.256 34.111 31.823 0.053 0.000 1.005 166 V HN 0.700 nan 8.190 nan 0.000 0.428 167 D N 1.528 121.996 120.400 0.113 0.000 2.601 167 D HA 0.838 5.478 4.640 0.000 0.000 0.230 167 D C 0.129 176.472 176.300 0.070 0.000 1.106 167 D CA 0.768 54.854 54.000 0.143 0.000 0.873 167 D CB 1.789 42.642 40.800 0.088 0.000 1.515 167 D HN 1.495 nan 8.370 nan 0.000 0.468 168 G N -0.801 108.037 108.800 0.064 0.000 2.719 168 G HA2 -0.135 3.826 3.960 0.000 0.000 0.686 168 G HA3 -0.135 3.826 3.960 0.000 0.000 0.686 168 G C 0.622 175.507 174.900 -0.025 0.000 1.201 168 G CA -0.451 44.660 45.100 0.017 0.000 0.768 168 G HN 0.425 nan 8.290 nan 0.000 0.629 169 V N 1.175 121.071 119.914 -0.030 0.000 2.343 169 V HA -0.130 3.990 4.120 0.000 0.000 0.247 169 V C 2.603 178.667 176.094 -0.050 0.000 1.051 169 V CA 2.660 64.930 62.300 -0.051 0.000 1.036 169 V CB -0.408 31.394 31.823 -0.036 0.000 0.654 169 V HN 0.763 nan 8.190 nan 0.000 0.451 170 E N 0.585 120.765 120.200 -0.033 0.000 2.216 170 E HA -0.052 4.299 4.350 0.000 0.000 0.192 170 E C 2.337 178.917 176.600 -0.034 0.000 0.988 170 E CA 1.136 57.517 56.400 -0.031 0.000 0.834 170 E CB -0.580 29.107 29.700 -0.022 0.000 0.772 170 E HN 0.606 nan 8.360 nan 0.000 0.479 171 G N 1.676 110.458 108.800 -0.029 0.000 2.421 171 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 171 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 171 G C 1.802 176.677 174.900 -0.042 0.000 1.171 171 G CA 1.608 46.693 45.100 -0.026 0.000 0.775 171 G HN 0.315 nan 8.290 nan 0.000 0.543 172 V N -1.574 118.296 119.914 -0.073 0.000 2.719 172 V HA 0.156 4.277 4.120 0.000 0.000 0.252 172 V C 2.454 178.492 176.094 -0.093 0.000 1.065 172 V CA 1.747 63.980 62.300 -0.113 0.000 1.086 172 V CB -0.483 31.196 31.823 -0.239 0.000 0.700 172 V HN 0.297 nan 8.190 nan 0.000 0.467 173 R N -0.166 120.287 120.500 -0.077 0.000 2.075 173 R HA -0.074 4.266 4.340 0.000 0.000 0.232 173 R C 2.271 178.540 176.300 -0.052 0.000 1.126 173 R CA 1.952 58.015 56.100 -0.062 0.000 0.963 173 R CB -0.332 29.938 30.300 -0.051 0.000 0.858 173 R HN 0.565 nan 8.270 nan 0.000 0.435 174 L N 0.478 121.673 121.223 -0.047 0.000 2.072 174 L HA 0.020 4.360 4.340 0.000 0.000 0.205 174 L C 2.186 179.028 176.870 -0.047 0.000 1.079 174 L CA 1.975 56.789 54.840 -0.043 0.000 0.752 174 L CB -0.587 41.450 42.059 -0.037 0.000 0.906 174 L HN 0.161 nan 8.230 nan 0.000 0.436 175 A N -0.752 122.039 122.820 -0.048 0.000 1.883 175 A HA -0.181 4.139 4.320 0.000 0.000 0.217 175 A C 2.247 179.802 177.584 -0.048 0.000 1.186 175 A CA 2.296 54.305 52.037 -0.047 0.000 0.624 175 A CB -1.219 17.757 19.000 -0.040 0.000 0.822 175 A HN 0.320 nan 8.150 nan 0.000 0.444 176 V N -0.214 119.668 119.914 -0.054 0.000 2.295 176 V HA -0.277 3.843 4.120 0.000 0.000 0.246 176 V C 2.617 178.682 176.094 -0.049 0.000 1.049 176 V CA 2.294 64.561 62.300 -0.054 0.000 1.024 176 V CB -0.861 30.926 31.823 -0.060 0.000 0.648 176 V HN 0.526 nan 8.190 nan 0.000 0.447 177 R N -0.187 120.284 120.500 -0.048 0.000 2.091 177 R HA -0.187 4.153 4.340 0.000 0.000 0.238 177 R C 2.352 178.621 176.300 -0.051 0.000 1.136 177 R CA 1.798 57.870 56.100 -0.046 0.000 0.959 177 R CB -0.300 29.975 30.300 -0.042 0.000 0.856 177 R HN 0.630 nan 8.270 nan 0.000 0.437 178 E N 0.128 120.297 120.200 -0.051 0.000 2.051 178 E HA -0.185 4.165 4.350 0.000 0.000 0.192 178 E C 1.952 178.518 176.600 -0.057 0.000 0.991 178 E CA 0.983 57.349 56.400 -0.056 0.000 0.799 178 E CB 0.075 29.741 29.700 -0.058 0.000 0.748 178 E HN 0.255 nan 8.360 nan 0.000 0.449 179 E N 0.470 120.641 120.200 -0.049 0.000 2.150 179 E HA -0.131 4.219 4.350 0.000 0.000 0.193 179 E C 2.133 178.708 176.600 -0.042 0.000 0.985 179 E CA 0.620 56.996 56.400 -0.041 0.000 0.814 179 E CB -0.108 29.573 29.700 -0.033 0.000 0.752 179 E HN 0.328 nan 8.360 nan 0.000 0.466 180 I N 1.339 121.880 120.570 -0.048 0.000 2.252 180 I HA -0.312 3.858 4.170 0.000 0.000 0.245 180 I C 2.614 178.688 176.117 -0.070 0.000 1.102 180 I CA 1.339 62.610 61.300 -0.048 0.000 1.385 180 I CB -0.054 37.920 38.000 -0.043 0.000 1.064 180 I HN 0.077 nan 8.210 nan 0.000 0.414 181 Q N 1.116 120.866 119.800 -0.083 0.000 2.230 181 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 181 Q C 1.786 177.683 176.000 -0.171 0.000 0.963 181 Q CA 1.506 57.238 55.803 -0.117 0.000 0.866 181 Q CB -0.389 28.290 28.738 -0.098 0.000 0.931 181 Q HN 0.282 nan 8.270 nan 0.000 0.452 182 K N -0.165 120.156 120.400 -0.132 0.000 2.439 182 K HA 0.101 4.422 4.320 0.000 0.000 0.197 182 K C 0.292 176.793 176.600 -0.165 0.000 1.041 182 K CA 0.611 56.814 56.287 -0.140 0.000 0.970 182 K CB 0.025 32.490 32.500 -0.058 0.000 0.773 182 K HN 0.492 nan 8.250 nan 0.000 0.479 183 G N 0.774 109.494 108.800 -0.133 0.000 2.237 183 G HA2 -0.133 3.827 3.960 0.000 0.000 0.153 183 G HA3 -0.133 3.827 3.960 0.000 0.000 0.153 183 G C -0.177 174.792 174.900 0.115 0.000 1.039 183 G CA -0.217 44.842 45.100 -0.067 0.000 0.719 183 G HN 0.361 nan 8.290 nan 0.000 0.491 184 A N -0.082 122.766 122.820 0.048 0.000 2.340 184 A HA 0.807 5.128 4.320 0.000 0.000 0.268 184 A C 1.518 179.132 177.584 0.050 0.000 1.100 184 A CA 0.958 53.026 52.037 0.052 0.000 0.803 184 A CB 0.563 19.567 19.000 0.007 0.000 1.043 184 A HN 1.450 nan 8.150 nan 0.000 0.488 185 T N -1.275 113.320 114.554 0.068 0.000 3.037 185 T HA 0.215 4.565 4.350 0.000 0.000 0.251 185 T C 0.510 175.193 174.700 -0.029 0.000 1.079 185 T CA 0.707 62.858 62.100 0.085 0.000 1.067 185 T CB -0.085 68.916 68.868 0.223 0.000 0.948 185 T HN 0.916 nan 8.240 nan 0.000 0.496 186 Q N 0.092 119.821 119.800 -0.119 0.000 2.630 186 Q HA 0.500 4.841 4.340 0.000 0.000 0.295 186 Q C -1.759 174.102 176.000 -0.232 0.000 0.944 186 Q CA -1.022 54.575 55.803 -0.343 0.000 0.766 186 Q CB 1.093 29.411 28.738 -0.700 0.000 1.471 186 Q HN 0.144 nan 8.270 nan 0.000 0.416 190 M N 3.887 123.589 119.600 0.169 0.000 2.135 190 M HA 0.460 4.940 4.480 0.000 0.000 0.345 190 M C 0.665 177.050 176.300 0.141 0.000 1.340 190 M CA -0.251 55.130 55.300 0.136 0.000 1.162 190 M CB 0.395 33.009 32.600 0.025 0.000 1.570 190 M HN 0.893 nan 8.290 nan 0.000 0.454 191 A N 2.499 125.437 122.820 0.198 0.000 2.387 191 A HA 0.442 4.762 4.320 0.000 0.000 0.234 191 A C 0.723 178.374 177.584 0.112 0.000 1.253 191 A CA 0.380 52.509 52.037 0.152 0.000 0.894 191 A CB 0.173 19.250 19.000 0.128 0.000 0.963 191 A HN 0.795 nan 8.150 nan 0.000 0.508 192 S N -2.537 113.257 115.700 0.157 0.000 2.683 192 S HA 0.613 5.083 4.470 0.000 0.000 0.269 192 S C 0.273 174.987 174.600 0.190 0.000 1.165 192 S CA -0.156 58.121 58.200 0.128 0.000 0.840 192 S CB 0.218 63.468 63.200 0.083 0.000 1.169 192 S HN 1.052 nan 8.310 nan 0.000 0.490 193 G N -0.808 108.092 108.800 0.167 0.000 2.651 193 G HA2 0.606 4.566 3.960 0.000 0.000 0.260 193 G HA3 0.606 4.566 3.960 0.000 0.000 0.260 193 G C 0.381 175.451 174.900 0.283 0.000 1.216 193 G CA -0.081 45.128 45.100 0.182 0.000 0.913 193 G HN 1.393 nan 8.290 nan 0.000 0.535 194 G N -2.311 106.591 108.800 0.170 0.000 2.871 194 G HA2 0.428 4.388 3.960 0.000 0.000 0.282 194 G HA3 0.428 4.388 3.960 0.000 0.000 0.282 194 G C 0.190 175.272 174.900 0.303 0.000 1.212 194 G CA 0.479 45.706 45.100 0.212 0.000 0.812 194 G HN 0.666 nan 8.290 nan 0.000 0.547 195 V N 0.583 120.737 119.914 0.401 0.000 2.627 195 V HA 0.272 4.392 4.120 0.000 0.000 0.239 195 V C 2.748 179.022 176.094 0.301 0.000 1.077 195 V CA 1.749 64.223 62.300 0.290 0.000 1.103 195 V CB 0.175 32.147 31.823 0.248 0.000 0.802 195 V HN 0.821 nan 8.190 nan 0.000 0.482 196 A N 0.821 123.871 122.820 0.383 0.000 2.276 196 A HA 0.240 4.560 4.320 0.000 0.000 0.212 196 A C 1.065 178.796 177.584 0.244 0.000 1.230 196 A CA 0.575 52.748 52.037 0.226 0.000 0.844 196 A CB -0.550 18.539 19.000 0.148 0.000 0.860 196 A HN 0.578 nan 8.150 nan 0.000 0.486 197 S N -0.898 114.968 115.700 0.276 0.000 2.593 197 S HA 0.570 5.040 4.470 0.000 0.000 0.297 197 S C -1.794 172.916 174.600 0.183 0.000 1.112 197 S CA -1.276 57.070 58.200 0.242 0.000 1.043 197 S CB 1.715 64.960 63.200 0.074 0.000 1.054 197 S HN 0.117 nan 8.310 nan 0.000 0.516 198 P HA -0.016 nan 4.420 nan 0.000 0.217 198 P C 1.307 178.649 177.300 0.071 0.000 1.154 198 P CA 1.519 64.681 63.100 0.102 0.000 0.841 198 P CB -0.294 31.464 31.700 0.096 0.000 0.788 199 T N -3.725 110.862 114.554 0.054 0.000 2.990 199 T HA 0.050 4.400 4.350 0.000 0.000 0.250 199 T C 0.503 175.227 174.700 0.040 0.000 1.041 199 T CA -0.303 61.818 62.100 0.036 0.000 1.010 199 T CB -0.510 68.367 68.868 0.014 0.000 1.003 199 T HN 0.121 nan 8.240 nan 0.000 0.499 200 D N 2.241 122.678 120.400 0.062 0.000 2.233 200 D HA 0.400 5.040 4.640 0.000 0.000 0.240 200 D C -3.124 173.226 176.300 0.084 0.000 1.074 200 D CA -2.056 51.985 54.000 0.068 0.000 0.838 200 D CB 1.973 42.819 40.800 0.077 0.000 1.124 200 D HN 0.090 nan 8.370 nan 0.000 0.475 201 P HA 0.127 nan 4.420 nan 0.000 0.272 201 P C 1.310 178.648 177.300 0.063 0.000 1.230 201 P CA -0.502 62.626 63.100 0.048 0.000 0.788 201 P CB 0.800 32.515 31.700 0.026 0.000 0.949 202 I N -0.802 119.792 120.570 0.040 0.000 2.614 202 I HA -0.112 4.058 4.170 0.000 0.000 0.258 202 I C 1.635 177.787 176.117 0.058 0.000 1.189 202 I CA 1.383 62.716 61.300 0.054 0.000 1.462 202 I CB -0.890 37.041 38.000 -0.116 0.000 1.092 202 I HN 0.147 nan 8.210 nan 0.000 0.442 203 A N 2.443 125.277 122.820 0.024 0.000 2.014 203 A HA -0.030 4.290 4.320 0.000 0.000 0.218 203 A C 1.092 178.698 177.584 0.036 0.000 1.163 203 A CA 0.740 52.789 52.037 0.020 0.000 0.652 203 A CB -0.793 18.208 19.000 0.001 0.000 0.808 203 A HN 0.728 nan 8.150 nan 0.000 0.449 204 N N 0.711 119.436 118.700 0.042 0.000 2.498 204 N HA 0.281 5.021 4.740 0.000 0.000 0.287 204 N C -0.302 175.238 175.510 0.049 0.000 1.097 204 N CA 0.276 53.349 53.050 0.039 0.000 0.973 204 N CB 0.887 39.392 38.487 0.030 0.000 1.153 204 N HN 0.182 nan 8.380 nan 0.000 0.472 205 T N -1.120 113.459 114.554 0.041 0.000 2.913 205 T HA 0.265 4.615 4.350 0.000 0.000 0.287 205 T C -0.196 174.522 174.700 0.031 0.000 1.008 205 T CA -0.606 61.521 62.100 0.046 0.000 1.067 205 T CB 1.378 70.275 68.868 0.047 0.000 0.996 205 T HN 0.574 nan 8.240 nan 0.000 0.513 206 Q N 0.692 120.507 119.800 0.026 0.000 2.387 206 Q HA 0.525 4.865 4.340 0.000 0.000 0.273 206 Q C -1.354 174.662 176.000 0.028 0.000 1.089 206 Q CA -1.053 54.724 55.803 -0.043 0.000 0.824 206 Q CB 2.108 30.762 28.738 -0.140 0.000 1.367 206 Q HN 0.849 nan 8.270 nan 0.000 0.443 207 Y N -0.576 119.738 120.300 0.023 0.000 2.526 207 Y HA -0.298 4.252 4.550 0.000 0.000 0.022 207 Y C 0.231 176.138 175.900 0.013 0.000 1.721 207 Y CA -0.015 58.093 58.100 0.014 0.000 1.405 207 Y CB -0.387 38.081 38.460 0.014 0.000 2.052 207 Y HN 0.791 nan 8.280 nan 0.000 0.257 208 S N 1.459 117.285 115.700 0.210 0.000 2.614 208 S HA 0.198 4.668 4.470 0.000 0.000 0.265 208 S C 0.757 175.398 174.600 0.068 0.000 1.303 208 S CA -0.214 58.047 58.200 0.102 0.000 1.000 208 S CB 1.550 64.791 63.200 0.069 0.000 0.935 208 S HN 0.683 nan 8.310 nan 0.000 0.551 209 E N 0.539 120.763 120.200 0.040 0.000 2.204 209 E HA -0.154 4.197 4.350 0.000 0.000 0.195 209 E C 0.923 177.520 176.600 -0.004 0.000 0.990 209 E CA 1.171 57.582 56.400 0.019 0.000 0.821 209 E CB -0.192 29.517 29.700 0.015 0.000 0.750 209 E HN 0.646 nan 8.360 nan 0.000 0.477 210 D N 0.890 121.286 120.400 -0.006 0.000 2.178 210 D HA -0.113 4.527 4.640 0.000 0.000 0.202 210 D C 1.668 177.935 176.300 -0.056 0.000 0.974 210 D CA 0.860 54.847 54.000 -0.023 0.000 0.841 210 D CB -0.017 40.775 40.800 -0.013 0.000 0.953 210 D HN 0.273 nan 8.370 nan 0.000 0.478 211 E N 0.235 120.390 120.200 -0.076 0.000 2.046 211 E HA -0.050 4.300 4.350 0.000 0.000 0.190 211 E C 2.336 178.795 176.600 -0.235 0.000 0.982 211 E CA 0.378 56.663 56.400 -0.191 0.000 0.800 211 E CB 0.074 29.599 29.700 -0.291 0.000 0.756 211 E HN 0.257 nan 8.360 nan 0.000 0.449 212 I N 0.741 121.218 120.570 -0.154 0.000 2.226 212 I HA -0.277 3.893 4.170 0.000 0.000 0.245 212 I C 2.475 178.543 176.117 -0.080 0.000 1.100 212 I CA 1.097 62.333 61.300 -0.107 0.000 1.374 212 I CB -0.291 37.697 38.000 -0.018 0.000 1.057 212 I HN 0.014 nan 8.210 nan 0.000 0.413 213 R N 0.849 121.312 120.500 -0.061 0.000 2.091 213 R HA -0.146 4.194 4.340 0.000 0.000 0.238 213 R C 2.481 178.748 176.300 -0.055 0.000 1.136 213 R CA 1.552 57.624 56.100 -0.047 0.000 0.959 213 R CB -0.466 29.814 30.300 -0.034 0.000 0.856 213 R HN 0.397 nan 8.270 nan 0.000 0.437 214 A N 0.853 123.629 122.820 -0.074 0.000 1.972 214 A HA -0.130 4.191 4.320 0.000 0.000 0.219 214 A C 2.081 179.615 177.584 -0.083 0.000 1.169 214 A CA 1.179 53.171 52.037 -0.076 0.000 0.635 214 A CB -0.354 18.593 19.000 -0.088 0.000 0.810 214 A HN 0.189 nan 8.150 nan 0.000 0.446 215 I N -0.949 119.556 120.570 -0.109 0.000 2.286 215 I HA -0.159 4.011 4.170 0.000 0.000 0.245 215 I C 2.334 178.415 176.117 -0.061 0.000 1.104 215 I CA 0.796 62.036 61.300 -0.100 0.000 1.397 215 I CB -0.226 37.692 38.000 -0.136 0.000 1.072 215 I HN 0.134 nan 8.210 nan 0.000 0.417 216 V N 0.862 120.748 119.914 -0.047 0.000 2.295 216 V HA -0.300 3.820 4.120 0.000 0.000 0.246 216 V C 2.012 178.098 176.094 -0.014 0.000 1.049 216 V CA 2.069 64.357 62.300 -0.019 0.000 1.024 216 V CB -0.638 31.178 31.823 -0.012 0.000 0.648 216 V HN 0.389 nan 8.190 nan 0.000 0.447 217 D N -0.477 119.910 120.400 -0.022 0.000 2.144 217 D HA -0.131 4.509 4.640 0.000 0.000 0.199 217 D C 2.276 178.566 176.300 -0.018 0.000 0.984 217 D CA 0.907 54.897 54.000 -0.016 0.000 0.834 217 D CB -0.151 40.637 40.800 -0.020 0.000 0.955 217 D HN 0.384 nan 8.370 nan 0.000 0.465 218 E N 0.248 120.431 120.200 -0.029 0.000 2.158 218 E HA 0.019 4.369 4.350 0.000 0.000 0.191 218 E C 2.041 178.626 176.600 -0.026 0.000 0.982 218 E CA 0.595 56.977 56.400 -0.030 0.000 0.823 218 E CB -0.176 29.499 29.700 -0.041 0.000 0.766 218 E HN 0.214 nan 8.360 nan 0.000 0.468 219 A N 1.382 124.186 122.820 -0.027 0.000 1.898 219 A HA -0.161 4.159 4.320 0.000 0.000 0.216 219 A C 2.029 179.614 177.584 0.002 0.000 1.181 219 A CA 1.238 53.260 52.037 -0.025 0.000 0.620 219 A CB -0.375 18.602 19.000 -0.038 0.000 0.819 219 A HN 0.160 nan 8.150 nan 0.000 0.442 220 E N -0.268 119.941 120.200 0.014 0.000 2.153 220 E HA -0.114 4.237 4.350 0.000 0.000 0.194 220 E C 2.148 178.759 176.600 0.018 0.000 0.988 220 E CA 0.824 57.241 56.400 0.028 0.000 0.811 220 E CB -0.237 29.479 29.700 0.028 0.000 0.746 220 E HN 0.613 nan 8.360 nan 0.000 0.466 221 A N 0.898 123.721 122.820 0.005 0.000 2.121 221 A HA 0.032 4.352 4.320 0.000 0.000 0.218 221 A C 1.896 179.480 177.584 0.001 0.000 1.154 221 A CA 1.272 53.310 52.037 0.001 0.000 0.679 221 A CB -0.012 18.984 19.000 -0.007 0.000 0.795 221 A HN 0.199 nan 8.150 nan 0.000 0.458 222 A N -0.538 122.283 122.820 0.001 0.000 2.713 222 A HA 0.399 4.720 4.320 0.000 0.000 0.296 222 A C 0.402 177.996 177.584 0.017 0.000 1.255 222 A CA -0.274 51.764 52.037 0.002 0.000 0.955 222 A CB -0.408 18.586 19.000 -0.009 0.000 1.149 222 A HN 0.354 nan 8.150 nan 0.000 0.538 223 N N 0.360 119.077 118.700 0.027 0.000 2.710 223 N HA -0.154 4.586 4.740 0.000 0.000 0.249 223 N C 0.204 175.756 175.510 0.070 0.000 1.059 223 N CA 1.735 54.812 53.050 0.045 0.000 0.720 223 N CB -1.123 37.389 38.487 0.041 0.000 0.983 223 N HN 0.714 nan 8.380 nan 0.000 0.544 224 T N -1.721 112.874 114.554 0.068 0.000 2.604 224 T HA 0.717 5.067 4.350 0.000 0.000 0.267 224 T C -1.078 173.705 174.700 0.140 0.000 0.923 224 T CA -0.416 61.745 62.100 0.102 0.000 1.077 224 T CB 1.331 70.194 68.868 -0.009 0.000 1.392 224 T HN 0.214 nan 8.240 nan 0.000 0.531 225 Y N -1.488 118.809 120.300 -0.006 0.000 2.805 225 Y HA 0.846 5.396 4.550 0.000 0.000 0.323 225 Y C -1.635 174.260 175.900 -0.009 0.000 1.279 225 Y CA -1.279 56.817 58.100 -0.008 0.000 1.103 225 Y CB 0.825 39.277 38.460 -0.013 0.000 1.324 225 Y HN 0.346 nan 8.280 nan 0.000 0.498 226 V N 3.611 123.586 119.914 0.101 0.000 2.444 226 V HA 0.383 4.503 4.120 0.000 0.000 0.294 226 V C -0.200 175.966 176.094 0.120 0.000 1.022 226 V CA -0.896 61.406 62.300 0.004 0.000 0.850 226 V CB 1.381 33.216 31.823 0.020 0.000 0.992 226 V HN 0.815 nan 8.190 nan 0.000 0.426 227 M N 3.593 123.216 119.600 0.038 0.000 2.264 227 M HA 0.927 5.407 4.480 0.000 0.000 0.352 227 M C -0.358 175.983 176.300 0.068 0.000 1.173 227 M CA -0.316 55.040 55.300 0.093 0.000 1.075 227 M CB 1.592 34.237 32.600 0.075 0.000 1.621 227 M HN 0.563 nan 8.290 nan 0.000 0.457 228 A N 1.751 124.613 122.820 0.071 0.000 2.359 228 A HA 0.466 4.786 4.320 0.000 0.000 0.303 228 A C -1.331 176.283 177.584 0.051 0.000 1.066 228 A CA -0.689 51.395 52.037 0.079 0.000 0.730 228 A CB 0.623 19.665 19.000 0.071 0.000 1.211 228 A HN 0.993 nan 8.150 nan 0.000 0.439 229 H N 2.013 121.071 119.070 -0.019 0.000 3.017 229 H HA 0.558 5.114 4.556 0.000 0.000 0.276 229 H C -0.091 175.172 175.328 -0.109 0.000 1.062 229 H CA 0.897 56.886 56.048 -0.097 0.000 1.486 229 H CB 0.394 30.155 29.762 -0.002 0.000 1.507 229 H HN 0.872 nan 8.280 nan 0.000 0.508 230 A N 5.180 127.720 122.820 -0.467 0.000 2.465 230 A HA 0.317 4.638 4.320 0.000 0.000 0.292 230 A C -1.276 176.116 177.584 -0.320 0.000 1.041 230 A CA -0.729 51.118 52.037 -0.317 0.000 0.718 230 A CB 0.478 19.423 19.000 -0.091 0.000 1.266 230 A HN 0.709 nan 8.150 nan 0.000 0.403 231 Y N 1.318 121.525 120.300 -0.154 0.000 2.265 231 Y HA 0.125 4.675 4.550 0.000 0.000 0.290 231 Y C 2.236 178.109 175.900 -0.046 0.000 1.137 231 Y CA 1.616 59.656 58.100 -0.099 0.000 1.147 231 Y CB -0.239 38.151 38.460 -0.117 0.000 1.104 231 Y HN 0.741 nan 8.280 nan 0.000 0.514 232 T N -1.270 113.372 114.554 0.147 0.000 2.860 232 T HA 0.258 4.608 4.350 0.000 0.000 0.299 232 T C 1.614 176.349 174.700 0.059 0.000 1.045 232 T CA -0.019 62.125 62.100 0.074 0.000 1.071 232 T CB 1.329 70.226 68.868 0.049 0.000 0.985 232 T HN 0.389 nan 8.240 nan 0.000 0.537 233 G N 0.582 109.406 108.800 0.041 0.000 2.408 233 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 233 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 233 G C 1.569 176.491 174.900 0.038 0.000 1.150 233 G CA 0.643 45.767 45.100 0.039 0.000 0.776 233 G HN 0.857 nan 8.290 nan 0.000 0.542 234 R N 0.617 121.136 120.500 0.032 0.000 2.083 234 R HA -0.022 4.318 4.340 0.000 0.000 0.237 234 R C 2.780 179.101 176.300 0.035 0.000 1.137 234 R CA 1.612 57.730 56.100 0.030 0.000 0.951 234 R CB -0.439 29.877 30.300 0.026 0.000 0.851 234 R HN 0.267 nan 8.270 nan 0.000 0.434 235 A N 0.720 123.564 122.820 0.039 0.000 1.969 235 A HA -0.079 4.241 4.320 0.000 0.000 0.218 235 A C 2.141 179.746 177.584 0.035 0.000 1.169 235 A CA 1.103 53.164 52.037 0.040 0.000 0.635 235 A CB -0.326 18.701 19.000 0.044 0.000 0.810 235 A HN 0.374 nan 8.150 nan 0.000 0.445 236 I N -0.531 120.062 120.570 0.038 0.000 2.286 236 I HA -0.198 3.972 4.170 0.000 0.000 0.245 236 I C 2.924 179.064 176.117 0.039 0.000 1.104 236 I CA 0.918 62.241 61.300 0.039 0.000 1.397 236 I CB -0.197 37.840 38.000 0.062 0.000 1.072 236 I HN 0.336 nan 8.210 nan 0.000 0.417 237 A N 1.721 124.566 122.820 0.042 0.000 1.902 237 A HA -0.225 4.095 4.320 0.000 0.000 0.217 237 A C 2.300 179.897 177.584 0.021 0.000 1.181 237 A CA 1.893 53.955 52.037 0.041 0.000 0.623 237 A CB -0.623 18.404 19.000 0.045 0.000 0.818 237 A HN 0.492 nan 8.150 nan 0.000 0.443 238 R N -0.173 120.340 120.500 0.022 0.000 2.115 238 R HA 0.152 4.492 4.340 0.000 0.000 0.230 238 R C 2.081 178.384 176.300 0.005 0.000 1.111 238 R CA 1.408 57.517 56.100 0.015 0.000 0.976 238 R CB -0.728 29.589 30.300 0.027 0.000 0.870 238 R HN 0.302 nan 8.270 nan 0.000 0.445 239 A N 1.213 124.041 122.820 0.013 0.000 1.930 239 A HA -0.006 4.314 4.320 0.000 0.000 0.217 239 A C 2.345 179.914 177.584 -0.024 0.000 1.175 239 A CA 1.281 53.324 52.037 0.010 0.000 0.627 239 A CB -0.370 18.647 19.000 0.028 0.000 0.815 239 A HN 0.169 nan 8.150 nan 0.000 0.443 240 V N -0.468 119.422 119.914 -0.040 0.000 2.488 240 V HA -0.147 3.973 4.120 0.000 0.000 0.246 240 V C 2.554 178.485 176.094 -0.271 0.000 1.046 240 V CA 1.886 64.123 62.300 -0.105 0.000 1.053 240 V CB -0.676 31.125 31.823 -0.037 0.000 0.679 240 V HN 0.514 nan 8.190 nan 0.000 0.458 241 R N -1.014 119.370 120.500 -0.193 0.000 2.115 241 R HA -0.145 4.196 4.340 0.000 0.000 0.230 241 R C 2.279 178.489 176.300 -0.151 0.000 1.111 241 R CA 1.675 57.650 56.100 -0.208 0.000 0.976 241 R CB -0.442 29.822 30.300 -0.061 0.000 0.870 241 R HN 0.496 nan 8.270 nan 0.000 0.445 242 C N -1.389 117.855 119.300 -0.095 0.000 2.457 242 C HA 0.120 4.581 4.460 0.000 0.000 0.278 242 C C 1.454 176.401 174.990 -0.071 0.000 1.309 242 C CA 0.966 59.947 59.018 -0.062 0.000 1.735 242 C CB -0.300 27.420 27.740 -0.033 0.000 1.992 242 C HN 0.786 nan 8.230 nan 0.000 0.493 243 G N 0.263 109.008 108.800 -0.093 0.000 2.338 243 G HA2 -0.009 3.951 3.960 0.000 0.000 0.115 243 G HA3 -0.009 3.951 3.960 0.000 0.000 0.115 243 G C -0.129 174.764 174.900 -0.012 0.000 1.053 243 G CA 0.050 45.105 45.100 -0.075 0.000 0.733 243 G HN 0.914 nan 8.290 nan 0.000 0.482 244 V N -1.506 118.407 119.914 -0.002 0.000 2.686 244 V HA 0.649 4.769 4.120 0.000 0.000 0.295 244 V C 1.456 177.596 176.094 0.076 0.000 1.055 244 V CA 0.329 62.659 62.300 0.050 0.000 1.050 244 V CB 1.552 33.405 31.823 0.051 0.000 0.984 244 V HN 0.393 nan 8.190 nan 0.000 0.482 245 R N 2.230 122.815 120.500 0.142 0.000 2.112 245 R HA 0.123 4.463 4.340 0.000 0.000 0.216 245 R C 0.888 177.281 176.300 0.155 0.000 1.080 245 R CA 1.128 57.310 56.100 0.137 0.000 0.996 245 R CB 0.163 30.518 30.300 0.091 0.000 0.902 245 R HN 1.005 nan 8.270 nan 0.000 0.449 246 T N -1.485 113.165 114.554 0.159 0.000 2.876 246 T HA 0.486 4.837 4.350 0.000 0.000 0.289 246 T C -0.396 174.349 174.700 0.074 0.000 1.014 246 T CA -0.929 61.246 62.100 0.125 0.000 0.986 246 T CB 1.841 70.763 68.868 0.090 0.000 1.021 246 T HN -0.120 nan 8.240 nan 0.000 0.458 247 I N 2.935 123.517 120.570 0.021 0.000 2.362 247 I HA 0.392 4.562 4.170 0.000 0.000 0.289 247 I C 0.049 176.107 176.117 -0.099 0.000 0.994 247 I CA -0.758 60.521 61.300 -0.035 0.000 1.158 247 I CB 1.710 39.686 38.000 -0.041 0.000 1.315 247 I HN 0.740 nan 8.210 nan 0.000 0.451 248 E N 6.322 126.420 120.200 -0.170 0.000 2.266 248 E HA 0.282 4.632 4.350 0.000 0.000 0.277 248 E C 0.551 176.797 176.600 -0.589 0.000 1.018 248 E CA -0.295 55.874 56.400 -0.386 0.000 0.840 248 E CB 0.841 30.306 29.700 -0.391 0.000 1.082 248 E HN 0.520 nan 8.360 nan 0.000 0.395 249 H N 1.982 120.957 119.070 -0.159 0.000 1.470 249 H HA -0.320 4.236 4.556 0.000 0.000 0.090 249 H C 1.145 176.479 175.328 0.011 0.000 0.594 249 H CA 1.643 57.652 56.048 -0.066 0.000 1.899 249 H CB -1.527 28.173 29.762 -0.104 0.000 2.254 249 H HN 0.892 nan 8.280 nan 0.000 0.961 250 G N 1.661 110.530 108.800 0.115 0.000 2.176 250 G HA2 -0.356 3.604 3.960 0.000 0.000 0.252 250 G HA3 -0.356 3.604 3.960 0.000 0.000 0.252 250 G C 0.740 175.799 174.900 0.266 0.000 1.024 250 G CA 1.011 46.221 45.100 0.182 0.000 0.755 250 G HN 0.633 nan 8.290 nan 0.000 0.507 251 N N -0.267 118.605 118.700 0.287 0.000 2.258 251 N HA -0.047 4.693 4.740 0.000 0.000 0.187 251 N C 1.395 176.927 175.510 0.037 0.000 1.012 251 N CA 1.274 54.405 53.050 0.135 0.000 0.870 251 N CB -0.118 38.372 38.487 0.005 0.000 0.977 251 N HN 0.623 nan 8.380 nan 0.000 0.434 252 L N 0.763 122.027 121.223 0.068 0.000 2.825 252 L HA 0.349 4.689 4.340 0.000 0.000 0.236 252 L C -0.522 176.356 176.870 0.012 0.000 1.301 252 L CA -0.668 54.172 54.840 0.000 0.000 0.977 252 L CB 0.349 42.391 42.059 -0.027 0.000 1.300 252 L HN -0.177 nan 8.230 nan 0.000 0.486 253 V N -2.516 117.388 119.914 -0.015 0.000 2.785 253 V HA 0.480 4.600 4.120 0.000 0.000 0.300 253 V C -0.062 175.994 176.094 -0.064 0.000 1.062 253 V CA -0.824 61.459 62.300 -0.029 0.000 1.029 253 V CB 1.309 33.080 31.823 -0.087 0.000 1.024 253 V HN 0.494 nan 8.190 nan 0.000 0.477 254 D N 1.650 122.027 120.400 -0.037 0.000 2.387 254 D HA 0.309 4.949 4.640 0.000 0.000 0.255 254 D C 0.904 177.175 176.300 -0.048 0.000 1.081 254 D CA -0.517 53.457 54.000 -0.045 0.000 0.994 254 D CB 0.815 41.602 40.800 -0.023 0.000 1.127 254 D HN 0.648 nan 8.370 nan 0.000 0.513 255 E N 0.263 120.433 120.200 -0.050 0.000 2.274 255 E HA -0.160 4.191 4.350 0.000 0.000 0.194 255 E C 1.675 178.267 176.600 -0.013 0.000 0.996 255 E CA 0.761 57.134 56.400 -0.044 0.000 0.840 255 E CB -0.413 29.256 29.700 -0.051 0.000 0.772 255 E HN 0.497 nan 8.360 nan 0.000 0.491 256 A N 2.035 124.852 122.820 -0.004 0.000 1.902 256 A HA 0.052 4.372 4.320 0.000 0.000 0.217 256 A C 2.509 180.114 177.584 0.035 0.000 1.181 256 A CA 2.010 54.054 52.037 0.012 0.000 0.623 256 A CB -0.651 18.355 19.000 0.010 0.000 0.818 256 A HN 0.389 nan 8.150 nan 0.000 0.443 257 A N -0.391 122.453 122.820 0.040 0.000 1.969 257 A HA 0.260 4.580 4.320 0.000 0.000 0.218 257 A C 2.419 180.065 177.584 0.103 0.000 1.169 257 A CA 1.771 53.850 52.037 0.069 0.000 0.635 257 A CB -0.775 18.265 19.000 0.068 0.000 0.810 257 A HN 0.967 nan 8.150 nan 0.000 0.445 258 A N -0.260 122.617 122.820 0.096 0.000 1.929 258 A HA -0.079 4.241 4.320 0.000 0.000 0.216 258 A C 2.132 179.788 177.584 0.121 0.000 1.176 258 A CA 1.656 53.782 52.037 0.147 0.000 0.628 258 A CB -0.369 18.692 19.000 0.102 0.000 0.816 258 A HN 0.435 nan 8.150 nan 0.000 0.444 259 K N -0.370 120.072 120.400 0.070 0.000 2.057 259 K HA -0.147 4.173 4.320 0.000 0.000 0.207 259 K C 1.894 178.549 176.600 0.090 0.000 1.049 259 K CA 1.660 57.981 56.287 0.058 0.000 0.931 259 K CB -0.329 32.184 32.500 0.021 0.000 0.714 259 K HN 0.376 nan 8.250 nan 0.000 0.440 260 L N 1.183 122.462 121.223 0.094 0.000 2.056 260 L HA -0.102 4.238 4.340 0.000 0.000 0.207 260 L C 2.389 179.360 176.870 0.168 0.000 1.078 260 L CA 1.436 56.350 54.840 0.124 0.000 0.749 260 L CB -0.227 41.923 42.059 0.152 0.000 0.901 260 L HN 0.211 nan 8.230 nan 0.000 0.433 261 M N -1.712 117.978 119.600 0.150 0.000 2.132 261 M HA -0.236 4.244 4.480 0.000 0.000 0.263 261 M C 2.326 178.668 176.300 0.069 0.000 1.065 261 M CA 1.817 57.189 55.300 0.120 0.000 1.122 261 M CB -0.500 32.162 32.600 0.104 0.000 1.365 261 M HN 0.431 nan 8.290 nan 0.000 0.411 262 H N 0.348 119.413 119.070 -0.008 0.000 2.353 262 H HA -0.140 4.416 4.556 0.000 0.000 0.300 262 H C 1.728 177.014 175.328 -0.071 0.000 1.090 262 H CA 2.155 58.172 56.048 -0.053 0.000 1.327 262 H CB 0.124 29.866 29.762 -0.034 0.000 1.383 262 H HN 0.388 nan 8.280 nan 0.000 0.508 263 E N -1.158 119.030 120.200 -0.021 0.000 2.150 263 E HA -0.137 4.213 4.350 0.000 0.000 0.193 263 E C 1.347 177.803 176.600 -0.239 0.000 0.985 263 E CA 1.041 57.352 56.400 -0.149 0.000 0.814 263 E CB 0.055 29.662 29.700 -0.155 0.000 0.752 263 E HN 0.705 nan 8.360 nan 0.000 0.466 264 H N -1.271 117.764 119.070 -0.059 0.000 2.539 264 H HA 0.178 4.734 4.556 0.000 0.000 0.269 264 H C 0.890 176.161 175.328 -0.094 0.000 0.980 264 H CA 0.247 56.261 56.048 -0.056 0.000 1.152 264 H CB 0.853 30.603 29.762 -0.021 0.000 1.407 264 H HN 0.254 nan 8.280 nan 0.000 0.564 265 G N 0.727 109.475 108.800 -0.087 0.000 2.221 265 G HA2 -0.291 3.669 3.960 0.000 0.000 0.265 265 G HA3 -0.291 3.669 3.960 0.000 0.000 0.265 265 G C 0.195 174.963 174.900 -0.220 0.000 1.041 265 G CA 0.197 45.170 45.100 -0.212 0.000 0.807 265 G HN 0.611 nan 8.290 nan 0.000 0.502 266 A N -0.241 122.506 122.820 -0.121 0.000 2.309 266 A HA 0.760 5.080 4.320 0.000 0.000 0.290 266 A C 0.330 177.831 177.584 -0.137 0.000 1.206 266 A CA -0.442 51.568 52.037 -0.046 0.000 0.850 266 A CB 0.316 19.331 19.000 0.026 0.000 1.118 266 A HN 0.476 nan 8.150 nan 0.000 0.523 267 F N 1.463 121.358 119.950 -0.090 0.000 2.399 267 F HA 0.444 4.971 4.527 0.000 0.000 0.313 267 F C 0.578 176.279 175.800 -0.165 0.000 1.202 267 F CA 0.032 57.960 58.000 -0.120 0.000 1.192 267 F CB 0.975 39.901 39.000 -0.123 0.000 1.256 267 F HN 0.282 nan 8.300 nan 0.000 0.558 268 V N 1.307 121.197 119.914 -0.040 0.000 2.709 268 V HA 0.380 4.500 4.120 0.000 0.000 0.308 268 V C -0.802 175.220 176.094 -0.119 0.000 1.062 268 V CA -0.880 61.294 62.300 -0.211 0.000 0.901 268 V CB 1.848 33.259 31.823 -0.687 0.000 1.003 268 V HN 0.445 nan 8.190 nan 0.000 0.425 269 V N 5.637 125.493 119.914 -0.098 0.000 2.250 269 V HA 0.327 4.447 4.120 0.000 0.000 0.268 269 V C -2.536 173.501 176.094 -0.095 0.000 1.043 269 V CA -1.725 60.532 62.300 -0.070 0.000 0.814 269 V CB 1.048 32.859 31.823 -0.020 0.000 1.072 269 V HN 0.721 nan 8.190 nan 0.000 0.451 270 P HA 0.262 nan 4.420 nan 0.000 0.281 270 P C 0.359 177.652 177.300 -0.012 0.000 1.252 270 P CA 0.032 63.150 63.100 0.030 0.000 0.778 270 P CB 0.661 32.417 31.700 0.092 0.000 0.895 271 T N 0.175 114.780 114.554 0.085 0.000 3.377 271 T HA 0.292 4.643 4.350 0.000 0.000 0.270 271 T C 0.979 175.699 174.700 0.033 0.000 1.586 271 T CA -0.463 61.618 62.100 -0.031 0.000 1.487 271 T CB -0.990 67.825 68.868 -0.088 0.000 0.994 271 T HN 0.095 nan 8.240 nan 0.000 0.689 272 L N 0.311 121.589 121.223 0.092 0.000 2.201 272 L HA 0.036 4.376 4.340 0.000 0.000 0.212 272 L C 2.640 179.592 176.870 0.137 0.000 1.105 272 L CA 0.462 55.443 54.840 0.235 0.000 0.775 272 L CB -0.536 41.609 42.059 0.145 0.000 0.913 272 L HN 0.406 nan 8.230 nan 0.000 0.440 273 V N -0.513 119.397 119.914 -0.007 0.000 2.913 273 V HA -0.242 3.878 4.120 0.000 0.000 0.260 273 V C 2.514 178.567 176.094 -0.068 0.000 1.098 273 V CA 2.159 64.463 62.300 0.006 0.000 1.121 273 V CB -0.072 31.760 31.823 0.014 0.000 0.714 273 V HN 0.500 nan 8.190 nan 0.000 0.487 274 T N -1.239 113.168 114.554 -0.246 0.000 2.985 274 T HA -0.115 4.235 4.350 0.000 0.000 0.266 274 T C 1.513 176.007 174.700 -0.344 0.000 1.076 274 T CA 1.596 63.474 62.100 -0.371 0.000 1.135 274 T CB -0.188 68.371 68.868 -0.515 0.000 0.890 274 T HN 0.669 nan 8.240 nan 0.000 0.480 275 Y N 1.322 121.604 120.300 -0.031 0.000 2.286 275 Y HA 0.105 4.656 4.550 0.000 0.000 0.293 275 Y C 2.382 178.271 175.900 -0.018 0.000 1.124 275 Y CA 0.545 58.628 58.100 -0.028 0.000 1.178 275 Y CB -0.452 37.988 38.460 -0.032 0.000 1.010 275 Y HN 0.200 nan 8.280 nan 0.000 0.536 276 D N 0.166 120.649 120.400 0.138 0.000 2.117 276 D HA -0.156 4.484 4.640 0.000 0.000 0.197 276 D C 2.251 178.588 176.300 0.061 0.000 0.987 276 D CA 1.483 55.545 54.000 0.104 0.000 0.829 276 D CB -0.509 40.370 40.800 0.130 0.000 0.961 276 D HN 0.325 nan 8.370 nan 0.000 0.460 277 A N 0.363 123.169 122.820 -0.023 0.000 1.930 277 A HA -0.052 4.269 4.320 0.000 0.000 0.217 277 A C 2.228 179.796 177.584 -0.027 0.000 1.175 277 A CA 0.705 52.650 52.037 -0.154 0.000 0.627 277 A CB -0.627 18.102 19.000 -0.453 0.000 0.815 277 A HN 0.214 nan 8.150 nan 0.000 0.443 278 L N -0.955 120.256 121.223 -0.021 0.000 2.395 278 L HA -0.061 4.279 4.340 0.000 0.000 0.218 278 L C 2.848 179.727 176.870 0.015 0.000 1.130 278 L CA 0.564 55.412 54.840 0.014 0.000 0.826 278 L CB -0.325 41.746 42.059 0.021 0.000 0.941 278 L HN 0.462 nan 8.230 nan 0.000 0.451 279 A N 0.265 123.094 122.820 0.015 0.000 1.929 279 A HA -0.154 4.166 4.320 0.000 0.000 0.216 279 A C 2.190 179.733 177.584 -0.070 0.000 1.176 279 A CA 1.420 53.451 52.037 -0.009 0.000 0.628 279 A CB -0.053 18.953 19.000 0.010 0.000 0.816 279 A HN 0.235 nan 8.150 nan 0.000 0.444 280 K N -1.321 119.004 120.400 -0.125 0.000 2.335 280 K HA 0.153 4.473 4.320 0.000 0.000 0.195 280 K C 0.764 177.040 176.600 -0.540 0.000 1.058 280 K CA 0.756 56.841 56.287 -0.337 0.000 0.988 280 K CB 0.274 32.514 32.500 -0.433 0.000 0.880 280 K HN 0.571 nan 8.250 nan 0.000 0.513 281 H N -1.410 117.592 119.070 -0.113 0.000 2.567 281 H HA 0.285 4.841 4.556 0.000 0.000 0.267 281 H C 1.174 176.440 175.328 -0.104 0.000 1.148 281 H CA 0.192 56.127 56.048 -0.190 0.000 1.031 281 H CB 0.984 30.672 29.762 -0.122 0.000 1.691 281 H HN 0.225 nan 8.280 nan 0.000 0.588 282 G N 0.988 109.787 108.800 -0.003 0.000 2.454 282 G HA2 -0.152 3.808 3.960 0.000 0.000 0.214 282 G HA3 -0.152 3.808 3.960 0.000 0.000 0.214 282 G C 1.762 176.665 174.900 0.006 0.000 1.217 282 G CA 0.858 45.971 45.100 0.022 0.000 0.799 282 G HN 0.380 nan 8.290 nan 0.000 0.538 283 A N 0.321 123.120 122.820 -0.035 0.000 2.015 283 A HA 0.062 4.382 4.320 0.000 0.000 0.219 283 A C 2.103 179.647 177.584 -0.067 0.000 1.163 283 A CA 1.877 53.891 52.037 -0.039 0.000 0.646 283 A CB -0.354 18.617 19.000 -0.047 0.000 0.806 283 A HN 0.500 nan 8.150 nan 0.000 0.448 284 E N -1.215 118.898 120.200 -0.146 0.000 2.106 284 E HA -0.142 4.209 4.350 0.000 0.000 0.192 284 E C -0.035 176.390 176.600 -0.291 0.000 0.984 284 E CA 0.848 57.077 56.400 -0.284 0.000 0.806 284 E CB -0.074 29.345 29.700 -0.468 0.000 0.750 284 E HN 0.545 nan 8.360 nan 0.000 0.458 285 F N -0.299 119.665 119.950 0.022 0.000 2.925 285 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 285 F C 1.243 177.037 175.800 -0.010 0.000 1.189 285 F CA 0.283 58.287 58.000 0.007 0.000 1.346 285 F CB 0.859 39.857 39.000 -0.004 0.000 0.954 285 F HN 0.164 nan 8.300 nan 0.000 0.506 286 G N 0.263 109.139 108.800 0.126 0.000 2.205 286 G HA2 -0.359 3.601 3.960 0.000 0.000 0.261 286 G HA3 -0.359 3.601 3.960 0.000 0.000 0.261 286 G C 0.631 175.553 174.900 0.037 0.000 0.980 286 G CA 0.106 45.248 45.100 0.070 0.000 0.632 286 G HN 0.366 nan 8.290 nan 0.000 0.533 287 M N 3.139 122.766 119.600 0.044 0.000 2.217 287 M HA 0.350 4.830 4.480 0.000 0.000 0.352 287 M C -1.610 174.699 176.300 0.014 0.000 1.376 287 M CA -1.477 53.834 55.300 0.017 0.000 1.107 287 M CB 0.460 33.074 32.600 0.024 0.000 1.723 287 M HN 0.017 nan 8.290 nan 0.000 0.461 288 P HA -0.001 nan 4.420 nan 0.000 0.263 288 P C -2.483 174.826 177.300 0.014 0.000 1.168 288 P CA -0.671 62.435 63.100 0.010 0.000 0.759 288 P CB -0.365 31.342 31.700 0.013 0.000 0.782 289 P HA -0.125 nan 4.420 nan 0.000 0.230 289 P C 1.279 178.585 177.300 0.009 0.000 1.158 289 P CA 1.097 64.200 63.100 0.005 0.000 0.769 289 P CB -0.082 31.617 31.700 -0.002 0.000 0.807 290 E N -0.847 119.363 120.200 0.017 0.000 2.299 290 E HA -0.010 4.341 4.350 0.000 0.000 0.193 290 E C 1.256 177.875 176.600 0.032 0.000 0.998 290 E CA 0.947 57.359 56.400 0.021 0.000 0.851 290 E CB -0.739 28.976 29.700 0.024 0.000 0.795 290 E HN 0.121 nan 8.360 nan 0.000 0.492 291 S N 0.821 116.546 115.700 0.041 0.000 2.406 291 S HA -0.006 4.464 4.470 0.000 0.000 0.224 291 S C 2.113 176.741 174.600 0.047 0.000 1.030 291 S CA 0.809 59.044 58.200 0.059 0.000 0.958 291 S CB 0.058 63.301 63.200 0.070 0.000 0.811 291 S HN 0.160 nan 8.310 nan 0.000 0.489 292 V N 2.083 122.015 119.914 0.030 0.000 2.626 292 V HA -0.071 4.049 4.120 0.000 0.000 0.252 292 V C 2.519 178.617 176.094 0.007 0.000 1.067 292 V CA 1.426 63.737 62.300 0.018 0.000 1.081 292 V CB -1.222 30.603 31.823 0.004 0.000 0.686 292 V HN 0.503 nan 8.190 nan 0.000 0.468 293 A N -0.206 122.617 122.820 0.005 0.000 1.929 293 A HA -0.131 4.189 4.320 0.000 0.000 0.216 293 A C 2.308 179.886 177.584 -0.010 0.000 1.176 293 A CA 1.380 53.414 52.037 -0.005 0.000 0.628 293 A CB -0.334 18.664 19.000 -0.003 0.000 0.816 293 A HN 0.471 nan 8.150 nan 0.000 0.444 294 K N -0.603 119.798 120.400 0.001 0.000 2.288 294 K HA 0.033 4.353 4.320 0.000 0.000 0.201 294 K C 1.448 178.025 176.600 -0.038 0.000 1.048 294 K CA 0.812 57.092 56.287 -0.012 0.000 0.956 294 K CB -0.063 32.449 32.500 0.020 0.000 0.746 294 K HN 0.278 nan 8.250 nan 0.000 0.461 295 V N 0.810 120.718 119.914 -0.009 0.000 3.461 295 V HA -0.042 4.079 4.120 0.000 0.000 0.267 295 V C 1.843 177.905 176.094 -0.054 0.000 1.186 295 V CA 0.949 63.245 62.300 -0.005 0.000 1.154 295 V CB -0.128 31.743 31.823 0.080 0.000 0.802 295 V HN 0.264 nan 8.190 nan 0.000 0.474 296 A N 0.471 123.257 122.820 -0.058 0.000 1.908 296 A HA -0.184 4.136 4.320 0.000 0.000 0.218 296 A C 2.483 180.007 177.584 -0.099 0.000 1.181 296 A CA 2.409 54.407 52.037 -0.063 0.000 0.627 296 A CB -0.553 18.417 19.000 -0.050 0.000 0.818 296 A HN 0.749 nan 8.150 nan 0.000 0.445 297 S N -0.354 115.265 115.700 -0.135 0.000 2.439 297 S HA -0.027 4.443 4.470 0.000 0.000 0.224 297 S C 1.701 176.160 174.600 -0.236 0.000 1.029 297 S CA 0.918 59.022 58.200 -0.161 0.000 0.946 297 S CB -0.894 62.216 63.200 -0.150 0.000 0.797 297 S HN 0.845 nan 8.310 nan 0.000 0.504 298 V N 1.547 121.252 119.914 -0.349 0.000 2.667 298 V HA -0.128 3.992 4.120 0.000 0.000 0.252 298 V C 2.526 178.314 176.094 -0.510 0.000 1.065 298 V CA 1.411 63.393 62.300 -0.530 0.000 1.083 298 V CB -1.562 29.744 31.823 -0.863 0.000 0.692 298 V HN 0.700 nan 8.190 nan 0.000 0.468 299 Q N -0.155 119.421 119.800 -0.373 0.000 2.311 299 Q HA -0.090 4.250 4.340 0.000 0.000 0.203 299 Q C 2.054 177.976 176.000 -0.130 0.000 0.954 299 Q CA 0.892 56.557 55.803 -0.231 0.000 0.885 299 Q CB -0.368 28.325 28.738 -0.075 0.000 0.963 299 Q HN 0.636 nan 8.270 nan 0.000 0.471 300 Q N 1.851 121.574 119.800 -0.129 0.000 1.942 300 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 300 Q C 1.629 177.580 176.000 -0.081 0.000 0.987 300 Q CA 1.490 57.241 55.803 -0.087 0.000 0.844 300 Q CB -0.302 28.385 28.738 -0.085 0.000 0.911 300 Q HN 0.277 nan 8.270 nan 0.000 0.423 301 K N 0.690 121.029 120.400 -0.101 0.000 2.555 301 K HA 0.003 4.323 4.320 0.000 0.000 0.193 301 K C 1.857 178.410 176.600 -0.077 0.000 1.032 301 K CA 0.610 56.845 56.287 -0.087 0.000 1.004 301 K CB -0.538 31.906 32.500 -0.094 0.000 0.804 301 K HN 0.391 nan 8.250 nan 0.000 0.496 302 G N 0.772 109.521 108.800 -0.086 0.000 2.446 302 G HA2 -0.292 3.669 3.960 0.000 0.000 0.217 302 G HA3 -0.292 3.669 3.960 0.000 0.000 0.217 302 G C 1.490 176.393 174.900 0.005 0.000 1.168 302 G CA 0.622 45.695 45.100 -0.046 0.000 0.771 302 G HN 0.258 nan 8.290 nan 0.000 0.551 303 R N -0.095 120.405 120.500 0.000 0.000 2.090 303 R HA 0.056 4.396 4.340 0.000 0.000 0.228 303 R C 2.468 178.764 176.300 -0.006 0.000 1.110 303 R CA 0.994 57.102 56.100 0.013 0.000 0.973 303 R CB -0.217 30.092 30.300 0.015 0.000 0.869 303 R HN 0.485 nan 8.270 nan 0.000 0.440 304 E N 0.504 120.685 120.200 -0.031 0.000 2.204 304 E HA -0.166 4.185 4.350 0.000 0.000 0.195 304 E C 1.681 178.226 176.600 -0.092 0.000 0.990 304 E CA 1.457 57.825 56.400 -0.053 0.000 0.821 304 E CB 0.153 29.818 29.700 -0.059 0.000 0.750 304 E HN 0.321 nan 8.360 nan 0.000 0.477 305 S N -0.015 115.623 115.700 -0.102 0.000 2.406 305 S HA -0.119 4.351 4.470 0.000 0.000 0.228 305 S C 1.948 176.391 174.600 -0.262 0.000 1.020 305 S CA 0.395 58.462 58.200 -0.223 0.000 0.965 305 S CB -0.252 62.868 63.200 -0.134 0.000 0.798 305 S HN 0.157 nan 8.310 nan 0.000 0.488 306 L N 2.245 123.456 121.223 -0.020 0.000 2.079 306 L HA -0.052 4.288 4.340 0.000 0.000 0.210 306 L C 2.696 179.594 176.870 0.047 0.000 1.081 306 L CA 1.791 56.694 54.840 0.105 0.000 0.752 306 L CB -0.826 41.292 42.059 0.099 0.000 0.896 306 L HN 0.421 nan 8.230 nan 0.000 0.433 307 E N -0.664 119.522 120.200 -0.024 0.000 2.106 307 E HA -0.199 4.151 4.350 0.000 0.000 0.192 307 E C 2.273 178.834 176.600 -0.065 0.000 0.984 307 E CA 1.312 57.695 56.400 -0.029 0.000 0.806 307 E CB -0.189 29.490 29.700 -0.036 0.000 0.750 307 E HN 0.506 nan 8.360 nan 0.000 0.458 308 I N 0.413 120.882 120.570 -0.168 0.000 2.226 308 I HA -0.276 3.894 4.170 0.000 0.000 0.245 308 I C 2.047 178.073 176.117 -0.152 0.000 1.100 308 I CA 1.186 62.357 61.300 -0.215 0.000 1.374 308 I CB -0.429 37.363 38.000 -0.346 0.000 1.057 308 I HN 0.073 nan 8.210 nan 0.000 0.413 309 Y N 1.086 121.386 120.300 -0.001 0.000 2.242 309 Y HA -0.094 4.456 4.550 0.000 0.000 0.291 309 Y C 2.715 178.614 175.900 -0.002 0.000 1.137 309 Y CA 0.770 58.872 58.100 0.004 0.000 1.181 309 Y CB -1.113 37.358 38.460 0.018 0.000 0.989 309 Y HN 0.087 nan 8.280 nan 0.000 0.527 310 A N 0.464 123.370 122.820 0.144 0.000 1.902 310 A HA -0.195 4.125 4.320 0.000 0.000 0.217 310 A C 2.068 179.667 177.584 0.025 0.000 1.181 310 A CA 1.905 53.989 52.037 0.077 0.000 0.623 310 A CB -0.666 18.371 19.000 0.060 0.000 0.818 310 A HN 0.403 nan 8.150 nan 0.000 0.443 311 N N 0.430 119.129 118.700 -0.002 0.000 2.142 311 N HA -0.040 4.700 4.740 0.000 0.000 0.186 311 N C 1.638 177.107 175.510 -0.069 0.000 1.023 311 N CA 1.601 54.630 53.050 -0.035 0.000 0.852 311 N CB -0.523 37.937 38.487 -0.044 0.000 0.998 311 N HN 0.441 nan 8.380 nan 0.000 0.424 312 A N -0.432 122.352 122.820 -0.060 0.000 2.238 312 A HA 0.398 4.718 4.320 0.000 0.000 0.208 312 A C 1.440 178.879 177.584 -0.243 0.000 1.177 312 A CA 0.883 52.846 52.037 -0.123 0.000 0.804 312 A CB -0.413 18.565 19.000 -0.037 0.000 0.823 312 A HN 0.346 nan 8.150 nan 0.000 0.482 313 G N -1.290 107.452 108.800 -0.096 0.000 2.143 313 G HA2 -0.206 3.754 3.960 0.000 0.000 0.249 313 G HA3 -0.206 3.754 3.960 0.000 0.000 0.249 313 G C 0.147 175.172 174.900 0.208 0.000 0.981 313 G CA 0.075 45.165 45.100 -0.016 0.000 0.665 313 G HN 0.892 nan 8.290 nan 0.000 0.528 314 V N 0.672 120.690 119.914 0.172 0.000 2.479 314 V HA 0.273 4.393 4.120 0.000 0.000 0.281 314 V C 1.079 177.181 176.094 0.013 0.000 1.031 314 V CA -0.045 62.321 62.300 0.110 0.000 1.038 314 V CB 0.942 32.857 31.823 0.153 0.000 0.981 314 V HN 0.373 nan 8.190 nan 0.000 0.478 315 K N 5.084 125.420 120.400 -0.107 0.000 2.401 315 K HA 0.378 4.698 4.320 0.000 0.000 0.278 315 K C -0.299 176.301 176.600 -0.000 0.000 1.018 315 K CA 0.378 56.624 56.287 -0.068 0.000 0.981 315 K CB 0.431 32.814 32.500 -0.196 0.000 0.933 315 K HN 0.606 nan 8.250 nan 0.000 0.477 316 M N 1.998 121.632 119.600 0.056 0.000 2.243 316 M HA 0.312 4.792 4.480 0.000 0.000 0.324 316 M C 0.160 176.513 176.300 0.088 0.000 1.031 316 M CA -0.590 54.731 55.300 0.035 0.000 0.949 316 M CB 2.137 34.760 32.600 0.039 0.000 1.615 316 M HN 0.750 nan 8.290 nan 0.000 0.430 317 G N 1.637 110.480 108.800 0.072 0.000 2.509 317 G HA2 0.635 4.595 3.960 0.000 0.000 0.328 317 G HA3 0.635 4.595 3.960 0.000 0.000 0.328 317 G C -1.728 173.229 174.900 0.094 0.000 1.194 317 G CA -0.475 44.680 45.100 0.091 0.000 0.967 317 G HN 0.581 nan 8.290 nan 0.000 0.488 318 F N 0.581 120.518 119.950 -0.021 0.000 2.410 318 F HA 0.606 5.133 4.527 0.000 0.000 0.348 318 F C 0.540 176.332 175.800 -0.014 0.000 1.106 318 F CA 0.038 58.008 58.000 -0.050 0.000 1.163 318 F CB 1.462 40.412 39.000 -0.083 0.000 1.129 318 F HN 0.556 nan 8.300 nan 0.000 0.516 319 G N 2.865 111.365 108.800 -0.499 0.000 2.740 319 G HA2 0.399 4.359 3.960 0.000 0.000 0.296 319 G HA3 0.399 4.359 3.960 0.000 0.000 0.296 319 G C -0.516 174.133 174.900 -0.418 0.000 1.439 319 G CA -0.141 44.797 45.100 -0.270 0.000 1.066 319 G HN 0.768 nan 8.290 nan 0.000 0.527 320 S N 1.327 116.893 115.700 -0.222 0.000 2.444 320 S HA 0.135 4.605 4.470 0.000 0.000 0.223 320 S C 1.012 175.520 174.600 -0.154 0.000 1.054 320 S CA 1.104 59.191 58.200 -0.188 0.000 0.947 320 S CB -0.074 63.073 63.200 -0.088 0.000 0.850 320 S HN 0.887 nan 8.310 nan 0.000 0.527 321 D N 0.546 120.900 120.400 -0.077 0.000 2.837 321 D HA -0.128 4.512 4.640 0.000 0.000 0.230 321 D C -0.710 175.522 176.300 -0.113 0.000 1.152 321 D CA 0.332 54.308 54.000 -0.039 0.000 0.736 321 D CB -2.024 38.720 40.800 -0.094 0.000 1.084 321 D HN 0.512 nan 8.370 nan 0.000 0.429 322 L N -0.248 120.849 121.223 -0.211 0.000 2.418 322 L HA 0.472 4.813 4.340 0.000 0.000 0.265 322 L C 0.665 177.218 176.870 -0.529 0.000 1.143 322 L CA -0.468 54.152 54.840 -0.367 0.000 0.809 322 L CB 0.847 42.671 42.059 -0.392 0.000 1.124 322 L HN 0.026 nan 8.230 nan 0.000 0.456 323 L N 1.845 122.840 121.223 -0.379 0.000 2.381 323 L HA 0.684 5.025 4.340 0.000 0.000 0.274 323 L C 0.653 177.420 176.870 -0.173 0.000 0.988 323 L CA -0.432 54.284 54.840 -0.208 0.000 0.824 323 L CB 1.337 43.352 42.059 -0.074 0.000 1.263 323 L HN 0.871 nan 8.230 nan 0.000 0.410 324 G N 2.542 111.346 108.800 0.006 0.000 2.514 324 G HA2 -0.281 3.679 3.960 0.000 0.000 0.265 324 G HA3 -0.281 3.679 3.960 0.000 0.000 0.265 324 G C 0.726 175.626 174.900 0.001 0.000 1.150 324 G CA 0.345 45.443 45.100 -0.003 0.000 0.959 324 G HN 0.795 nan 8.290 nan 0.000 0.556 325 E N 0.800 120.849 120.200 -0.252 0.000 2.274 325 E HA 0.032 4.382 4.350 0.000 0.000 0.194 325 E C 2.555 179.039 176.600 -0.193 0.000 0.996 325 E CA 1.270 57.503 56.400 -0.277 0.000 0.840 325 E CB -0.208 29.152 29.700 -0.567 0.000 0.772 325 E HN 0.654 nan 8.360 nan 0.000 0.491 326 M N 0.725 120.165 119.600 -0.267 0.000 2.629 326 M HA -0.083 4.397 4.480 0.000 0.000 0.257 326 M C 1.275 177.539 176.300 -0.061 0.000 1.071 326 M CA 0.944 56.115 55.300 -0.215 0.000 1.077 326 M CB -0.468 31.947 32.600 -0.308 0.000 1.423 326 M HN 0.178 nan 8.290 nan 0.000 0.508 327 H N -0.608 118.460 119.070 -0.003 0.000 2.518 327 H HA -0.029 4.527 4.556 0.000 0.000 0.289 327 H C 2.091 177.478 175.328 0.097 0.000 1.051 327 H CA 1.205 57.274 56.048 0.035 0.000 1.280 327 H CB 0.123 29.885 29.762 -0.000 0.000 1.380 327 H HN 0.456 nan 8.280 nan 0.000 0.566 328 A N 0.263 123.229 122.820 0.244 0.000 1.972 328 A HA -0.172 4.148 4.320 0.000 0.000 0.219 328 A C 1.413 179.122 177.584 0.208 0.000 1.169 328 A CA 1.144 53.304 52.037 0.204 0.000 0.635 328 A CB -0.676 18.426 19.000 0.170 0.000 0.810 328 A HN 0.350 nan 8.150 nan 0.000 0.446 329 F N 0.324 120.298 119.950 0.040 0.000 2.771 329 F HA -0.013 4.514 4.527 0.000 0.000 0.299 329 F C 2.184 178.036 175.800 0.087 0.000 1.177 329 F CA 0.705 58.736 58.000 0.052 0.000 1.450 329 F CB -0.476 38.533 39.000 0.016 0.000 1.114 329 F HN 0.419 nan 8.300 nan 0.000 0.587 330 Q N 0.084 120.033 119.800 0.248 0.000 2.112 330 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 330 Q C 2.103 178.316 176.000 0.355 0.000 0.987 330 Q CA 2.255 58.187 55.803 0.216 0.000 0.858 330 Q CB -0.064 28.757 28.738 0.138 0.000 0.905 330 Q HN 0.323 nan 8.270 nan 0.000 0.420 331 S N -0.265 115.683 115.700 0.413 0.000 2.453 331 S HA -0.047 4.423 4.470 0.000 0.000 0.231 331 S C 1.760 176.651 174.600 0.485 0.000 1.005 331 S CA 0.656 59.197 58.200 0.569 0.000 0.949 331 S CB -0.287 63.155 63.200 0.403 0.000 0.774 331 S HN 0.655 nan 8.310 nan 0.000 0.510 332 G N 1.675 110.654 108.800 0.299 0.000 2.485 332 G HA2 -0.290 3.670 3.960 0.000 0.000 0.221 332 G HA3 -0.290 3.670 3.960 0.000 0.000 0.221 332 G C 1.247 176.279 174.900 0.220 0.000 1.115 332 G CA 1.219 46.454 45.100 0.226 0.000 0.751 332 G HN 0.542 nan 8.290 nan 0.000 0.567 333 E N -0.174 120.142 120.200 0.193 0.000 2.204 333 E HA -0.016 4.334 4.350 0.000 0.000 0.194 333 E C 1.890 178.576 176.600 0.144 0.000 0.989 333 E CA 0.409 56.815 56.400 0.010 0.000 0.824 333 E CB -0.339 29.109 29.700 -0.419 0.000 0.756 333 E HN 0.446 nan 8.360 nan 0.000 0.477 334 F N 0.478 120.651 119.950 0.371 0.000 2.075 334 F HA -0.077 4.450 4.527 0.000 0.000 0.297 334 F C 2.581 178.460 175.800 0.132 0.000 1.113 334 F CA 1.619 59.779 58.000 0.267 0.000 1.218 334 F CB -0.320 38.736 39.000 0.093 0.000 0.984 334 F HN -0.008 nan 8.300 nan 0.000 0.472 335 R N 0.208 120.897 120.500 0.314 0.000 2.075 335 R HA -0.110 4.230 4.340 0.000 0.000 0.232 335 R C 2.296 178.678 176.300 0.138 0.000 1.126 335 R CA 1.283 57.492 56.100 0.181 0.000 0.963 335 R CB -0.494 29.890 30.300 0.139 0.000 0.858 335 R HN 0.299 nan 8.270 nan 0.000 0.435 336 I N 0.179 120.829 120.570 0.133 0.000 2.208 336 I HA -0.315 3.855 4.170 0.000 0.000 0.245 336 I C 2.456 178.625 176.117 0.086 0.000 1.097 336 I CA 1.440 62.798 61.300 0.096 0.000 1.363 336 I CB -0.196 37.854 38.000 0.083 0.000 1.051 336 I HN 0.178 nan 8.210 nan 0.000 0.413 337 R N 0.466 121.023 120.500 0.095 0.000 2.075 337 R HA -0.075 4.265 4.340 0.000 0.000 0.232 337 R C 2.444 178.803 176.300 0.098 0.000 1.126 337 R CA 1.317 57.471 56.100 0.090 0.000 0.963 337 R CB -0.397 29.960 30.300 0.096 0.000 0.858 337 R HN 0.344 nan 8.270 nan 0.000 0.435 338 A N 1.389 124.279 122.820 0.118 0.000 1.933 338 A HA -0.203 4.117 4.320 0.000 0.000 0.218 338 A C 1.839 179.466 177.584 0.072 0.000 1.175 338 A CA 1.422 53.519 52.037 0.099 0.000 0.628 338 A CB -0.307 18.757 19.000 0.107 0.000 0.814 338 A HN 0.330 nan 8.150 nan 0.000 0.444 339 E N -0.497 119.744 120.200 0.068 0.000 2.153 339 E HA -0.107 4.243 4.350 0.000 0.000 0.194 339 E C 1.873 178.500 176.600 0.045 0.000 0.988 339 E CA 1.362 57.793 56.400 0.052 0.000 0.811 339 E CB -0.140 29.591 29.700 0.052 0.000 0.746 339 E HN 0.494 nan 8.360 nan 0.000 0.466 340 V N 0.281 120.225 119.914 0.050 0.000 2.500 340 V HA -0.084 4.036 4.120 0.000 0.000 0.243 340 V C 1.809 177.929 176.094 0.043 0.000 1.039 340 V CA 1.147 63.473 62.300 0.042 0.000 1.053 340 V CB -0.070 31.780 31.823 0.045 0.000 0.695 340 V HN 0.207 nan 8.190 nan 0.000 0.463 341 L N -0.255 121.001 121.223 0.054 0.000 2.966 341 L HA 0.635 4.975 4.340 0.000 0.000 0.262 341 L C 0.874 177.776 176.870 0.054 0.000 1.165 341 L CA 0.460 55.333 54.840 0.055 0.000 0.978 341 L CB 0.435 42.535 42.059 0.068 0.000 1.337 341 L HN 0.461 nan 8.230 nan 0.000 0.563 342 G N 1.583 110.416 108.800 0.054 0.000 2.785 342 G HA2 -0.231 3.729 3.960 0.000 0.000 0.686 342 G HA3 -0.231 3.729 3.960 0.000 0.000 0.686 342 G C 0.328 175.266 174.900 0.062 0.000 1.155 342 G CA -0.055 45.075 45.100 0.050 0.000 0.760 342 G HN 0.387 nan 8.290 nan 0.000 0.624 343 N N 1.050 119.783 118.700 0.056 0.000 2.381 343 N HA -0.108 4.632 4.740 0.000 0.000 0.182 343 N C 2.045 177.591 175.510 0.061 0.000 1.025 343 N CA 0.916 54.005 53.050 0.064 0.000 0.888 343 N CB 0.321 38.832 38.487 0.041 0.000 0.965 343 N HN 0.497 nan 8.380 nan 0.000 0.438 344 L N 1.385 122.637 121.223 0.047 0.000 2.109 344 L HA -0.055 4.285 4.340 0.000 0.000 0.207 344 L C 2.121 179.027 176.870 0.060 0.000 1.086 344 L CA 1.839 56.705 54.840 0.044 0.000 0.760 344 L CB -0.529 41.548 42.059 0.032 0.000 0.910 344 L HN 0.039 nan 8.230 nan 0.000 0.437 345 E N 0.314 120.553 120.200 0.066 0.000 2.107 345 E HA -0.091 4.259 4.350 0.000 0.000 0.191 345 E C 2.077 178.737 176.600 0.101 0.000 0.982 345 E CA 1.405 57.850 56.400 0.076 0.000 0.809 345 E CB -0.098 29.644 29.700 0.070 0.000 0.756 345 E HN 0.484 nan 8.360 nan 0.000 0.459 346 A N -0.082 122.810 122.820 0.121 0.000 2.015 346 A HA -0.057 4.263 4.320 0.000 0.000 0.219 346 A C 2.102 179.814 177.584 0.214 0.000 1.163 346 A CA 0.870 53.013 52.037 0.176 0.000 0.646 346 A CB -0.404 18.723 19.000 0.211 0.000 0.806 346 A HN 0.304 nan 8.150 nan 0.000 0.448 347 L N -1.514 119.806 121.223 0.161 0.000 2.341 347 L HA 0.021 4.361 4.340 0.000 0.000 0.214 347 L C 2.655 179.588 176.870 0.106 0.000 1.115 347 L CA 0.349 55.273 54.840 0.140 0.000 0.820 347 L CB -0.257 41.841 42.059 0.065 0.000 0.944 347 L HN 0.298 nan 8.230 nan 0.000 0.452 348 R N -0.615 119.941 120.500 0.094 0.000 2.115 348 R HA -0.071 4.270 4.340 0.000 0.000 0.230 348 R C 2.412 178.768 176.300 0.094 0.000 1.111 348 R CA 1.118 57.268 56.100 0.084 0.000 0.976 348 R CB -0.202 30.144 30.300 0.076 0.000 0.870 348 R HN 0.250 nan 8.270 nan 0.000 0.445 349 S N 0.652 116.419 115.700 0.112 0.000 2.370 349 S HA -0.151 4.319 4.470 0.000 0.000 0.226 349 S C 1.718 176.399 174.600 0.135 0.000 1.033 349 S CA 1.599 59.885 58.200 0.142 0.000 1.011 349 S CB 0.015 63.336 63.200 0.202 0.000 0.852 349 S HN 0.473 nan 8.310 nan 0.000 0.457 350 A N 0.359 123.197 122.820 0.030 0.000 2.387 350 A HA 0.302 4.622 4.320 0.000 0.000 0.234 350 A C 1.681 179.302 177.584 0.062 0.000 1.253 350 A CA 0.753 52.762 52.037 -0.048 0.000 0.894 350 A CB -0.171 18.522 19.000 -0.512 0.000 0.963 350 A HN 0.574 nan 8.150 nan 0.000 0.508 351 T N -4.131 110.470 114.554 0.078 0.000 3.463 351 T HA 0.013 4.363 4.350 0.000 0.000 0.203 351 T C 1.920 176.655 174.700 0.058 0.000 0.955 351 T CA 1.330 63.480 62.100 0.083 0.000 1.230 351 T CB -0.887 68.036 68.868 0.091 0.000 1.392 351 T HN 0.271 nan 8.240 nan 0.000 0.361 352 T N 0.909 115.497 114.554 0.057 0.000 2.851 352 T HA 0.055 4.405 4.350 0.000 0.000 0.262 352 T C 2.094 176.823 174.700 0.049 0.000 1.043 352 T CA 1.172 63.300 62.100 0.047 0.000 1.140 352 T CB -1.013 67.884 68.868 0.048 0.000 0.872 352 T HN 0.198 nan 8.240 nan 0.000 0.446 353 V N 2.204 122.160 119.914 0.070 0.000 2.453 353 V HA 0.054 4.174 4.120 0.000 0.000 0.247 353 V C 3.263 179.371 176.094 0.023 0.000 1.048 353 V CA 1.337 63.696 62.300 0.099 0.000 1.049 353 V CB -1.413 30.491 31.823 0.135 0.000 0.672 353 V HN 0.651 nan 8.190 nan 0.000 0.457 354 A N 0.293 123.123 122.820 0.017 0.000 1.933 354 A HA -0.068 4.252 4.320 0.000 0.000 0.218 354 A C 2.374 179.897 177.584 -0.102 0.000 1.175 354 A CA 1.942 53.962 52.037 -0.028 0.000 0.628 354 A CB -0.660 18.368 19.000 0.046 0.000 0.814 354 A HN 0.563 nan 8.150 nan 0.000 0.444 355 A N -0.657 122.126 122.820 -0.062 0.000 2.014 355 A HA -0.080 4.240 4.320 0.000 0.000 0.218 355 A C 1.947 179.453 177.584 -0.131 0.000 1.163 355 A CA 1.556 53.545 52.037 -0.080 0.000 0.652 355 A CB -0.376 18.613 19.000 -0.018 0.000 0.808 355 A HN 0.667 nan 8.150 nan 0.000 0.449 356 E N -0.060 120.058 120.200 -0.137 0.000 2.072 356 E HA -0.114 4.236 4.350 0.000 0.000 0.190 356 E C 1.780 178.111 176.600 -0.449 0.000 0.982 356 E CA 0.901 57.193 56.400 -0.179 0.000 0.803 356 E CB -0.188 29.501 29.700 -0.018 0.000 0.755 356 E HN 0.651 nan 8.360 nan 0.000 0.453 357 I N 0.981 121.162 120.570 -0.648 0.000 2.208 357 I HA -0.243 3.927 4.170 0.000 0.000 0.245 357 I C 2.225 177.990 176.117 -0.586 0.000 1.097 357 I CA 1.202 61.986 61.300 -0.860 0.000 1.363 357 I CB -0.154 37.469 38.000 -0.628 0.000 1.051 357 I HN 0.172 nan 8.210 nan 0.000 0.413 358 V N -2.052 117.609 119.914 -0.421 0.000 3.646 358 V HA 0.190 4.310 4.120 0.000 0.000 0.277 358 V C 0.504 176.447 176.094 -0.252 0.000 1.274 358 V CA 0.355 62.405 62.300 -0.418 0.000 1.164 358 V CB -1.324 29.990 31.823 -0.848 0.000 0.926 358 V HN 0.616 nan 8.190 nan 0.000 0.442 359 N N 0.205 118.773 118.700 -0.220 0.000 2.741 359 N HA -0.162 4.578 4.740 0.000 0.000 0.250 359 N C 0.298 175.783 175.510 -0.042 0.000 1.115 359 N CA 1.243 54.229 53.050 -0.107 0.000 0.724 359 N CB -0.795 37.670 38.487 -0.036 0.000 1.090 359 N HN 0.502 nan 8.380 nan 0.000 0.558 360 M N 0.459 120.025 119.600 -0.057 0.000 2.869 360 M HA 0.084 4.564 4.480 0.000 0.000 0.353 360 M C 0.068 176.368 176.300 -0.001 0.000 1.224 360 M CA -0.055 55.247 55.300 0.003 0.000 0.917 360 M CB 0.273 32.897 32.600 0.040 0.000 1.322 360 M HN 0.137 nan 8.290 nan 0.000 0.516 361 Q N 0.643 120.436 119.800 -0.011 0.000 2.263 361 Q HA 0.353 4.693 4.340 0.000 0.000 0.270 361 Q C 0.631 176.638 176.000 0.013 0.000 1.104 361 Q CA 0.808 56.611 55.803 0.000 0.000 0.909 361 Q CB 0.058 28.797 28.738 0.001 0.000 1.214 361 Q HN 0.682 nan 8.270 nan 0.000 0.400 362 G N 2.247 111.057 108.800 0.017 0.000 2.165 362 G HA2 -0.272 3.688 3.960 0.000 0.000 0.226 362 G HA3 -0.272 3.688 3.960 0.000 0.000 0.226 362 G C 0.220 175.134 174.900 0.023 0.000 1.035 362 G CA 0.434 45.545 45.100 0.020 0.000 0.744 362 G HN 0.575 nan 8.290 nan 0.000 0.501 363 Q N -1.444 118.373 119.800 0.028 0.000 2.521 363 Q HA 0.531 4.871 4.340 0.000 0.000 0.215 363 Q C 0.921 176.945 176.000 0.041 0.000 0.750 363 Q CA 0.558 56.383 55.803 0.036 0.000 0.945 363 Q CB 0.544 29.310 28.738 0.047 0.000 1.320 363 Q HN 0.541 nan 8.270 nan 0.000 0.501 364 L N -1.346 119.904 121.223 0.045 0.000 2.301 364 L HA 0.665 5.005 4.340 0.000 0.000 0.264 364 L C 0.515 177.407 176.870 0.037 0.000 1.016 364 L CA -0.501 54.369 54.840 0.049 0.000 0.821 364 L CB 1.998 44.106 42.059 0.082 0.000 1.346 364 L HN 0.394 nan 8.230 nan 0.000 0.429 365 G N 0.732 109.555 108.800 0.037 0.000 2.166 365 G HA2 -0.215 3.745 3.960 0.000 0.000 0.260 365 G HA3 -0.215 3.745 3.960 0.000 0.000 0.260 365 G C -0.430 174.491 174.900 0.034 0.000 0.986 365 G CA 0.452 45.577 45.100 0.041 0.000 0.683 365 G HN 0.540 nan 8.290 nan 0.000 0.527 366 V N 0.603 120.531 119.914 0.024 0.000 2.789 366 V HA 0.548 4.668 4.120 0.000 0.000 0.300 366 V C -0.279 175.822 176.094 0.011 0.000 1.184 366 V CA -1.130 61.180 62.300 0.018 0.000 0.930 366 V CB 1.487 33.321 31.823 0.019 0.000 1.041 366 V HN 0.385 nan 8.190 nan 0.000 0.430 367 I N 6.767 127.340 120.570 0.004 0.000 2.363 367 I HA 0.697 4.867 4.170 0.000 0.000 0.292 367 I C 0.494 176.614 176.117 0.005 0.000 1.075 367 I CA 0.467 61.768 61.300 0.002 0.000 1.333 367 I CB 0.756 38.752 38.000 -0.006 0.000 1.415 367 I HN 0.805 nan 8.210 nan 0.000 0.502 368 A N 5.356 128.183 122.820 0.011 0.000 2.602 368 A HA 0.660 4.980 4.320 0.000 0.000 0.290 368 A C -0.848 176.747 177.584 0.018 0.000 1.114 368 A CA -0.585 51.460 52.037 0.014 0.000 0.683 368 A CB 1.296 20.304 19.000 0.014 0.000 1.281 368 A HN 0.256 nan 8.150 nan 0.000 0.416 369 V N 1.482 121.408 119.914 0.020 0.000 2.450 369 V HA 0.453 4.573 4.120 0.000 0.000 0.281 369 V C 1.464 177.568 176.094 0.017 0.000 1.019 369 V CA 1.949 64.261 62.300 0.020 0.000 1.062 369 V CB -0.137 31.699 31.823 0.021 0.000 0.979 369 V HN 2.256 nan 8.190 nan 0.000 0.477 370 G N 4.085 112.894 108.800 0.016 0.000 2.284 370 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 370 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 370 G C 0.507 175.416 174.900 0.016 0.000 1.009 370 G CA 0.071 45.180 45.100 0.015 0.000 0.625 370 G HN 1.402 nan 8.290 nan 0.000 0.501 371 A N 0.923 123.752 122.820 0.016 0.000 2.462 371 A HA 0.619 4.939 4.320 0.000 0.000 0.243 371 A C 0.827 178.419 177.584 0.014 0.000 1.076 371 A CA 0.093 52.140 52.037 0.017 0.000 0.773 371 A CB 0.026 19.036 19.000 0.016 0.000 1.010 371 A HN 0.892 nan 8.150 nan 0.000 0.493 372 I N 1.284 121.864 120.570 0.018 0.000 2.710 372 I HA 0.072 4.242 4.170 0.000 0.000 0.286 372 I C 1.210 177.331 176.117 0.006 0.000 1.181 372 I CA 0.247 61.556 61.300 0.014 0.000 1.430 372 I CB 0.716 38.729 38.000 0.022 0.000 1.367 372 I HN 0.694 nan 8.210 nan 0.000 0.577 373 A N 5.331 128.150 122.820 -0.002 0.000 3.026 373 A HA 0.152 4.473 4.320 0.000 0.000 0.272 373 A C -0.420 177.153 177.584 -0.019 0.000 1.782 373 A CA -0.262 51.769 52.037 -0.011 0.000 1.451 373 A CB -0.879 18.113 19.000 -0.014 0.000 1.081 373 A HN 0.623 nan 8.150 nan 0.000 0.611 374 D N 1.502 121.890 120.400 -0.019 0.000 2.473 374 D HA 0.535 5.176 4.640 0.000 0.000 0.226 374 D C -0.475 175.787 176.300 -0.065 0.000 1.089 374 D CA 0.384 54.363 54.000 -0.036 0.000 0.883 374 D CB 0.781 41.571 40.800 -0.017 0.000 1.029 374 D HN 0.403 nan 8.370 nan 0.000 0.517 375 L N 1.263 122.439 121.223 -0.078 0.000 2.370 375 L HA 0.643 4.984 4.340 0.000 0.000 0.266 375 L C -0.648 176.143 176.870 -0.132 0.000 1.002 375 L CA -1.185 53.599 54.840 -0.093 0.000 0.818 375 L CB 2.497 44.525 42.059 -0.053 0.000 1.325 375 L HN -0.090 nan 8.230 nan 0.000 0.418 376 V N 2.933 122.740 119.914 -0.178 0.000 2.407 376 V HA 0.328 4.448 4.120 0.000 0.000 0.291 376 V C -0.175 175.855 176.094 -0.108 0.000 1.018 376 V CA -0.642 61.526 62.300 -0.220 0.000 0.842 376 V CB 2.261 33.766 31.823 -0.530 0.000 0.996 376 V HN 0.408 nan 8.190 nan 0.000 0.426 377 V N 6.666 126.562 119.914 -0.030 0.000 2.432 377 V HA 0.362 4.483 4.120 0.000 0.000 0.271 377 V C -0.231 175.842 176.094 -0.035 0.000 1.046 377 V CA -0.243 62.068 62.300 0.019 0.000 0.945 377 V CB 1.325 33.254 31.823 0.176 0.000 0.992 377 V HN 0.573 nan 8.190 nan 0.000 0.471 378 L N 4.737 125.941 121.223 -0.032 0.000 2.349 378 L HA 0.488 4.828 4.340 0.000 0.000 0.278 378 L C -0.291 176.553 176.870 -0.044 0.000 0.996 378 L CA -0.185 54.631 54.840 -0.040 0.000 0.825 378 L CB 1.735 43.780 42.059 -0.023 0.000 1.243 378 L HN 0.631 nan 8.230 nan 0.000 0.412 379 D N 3.595 123.962 120.400 -0.056 0.000 2.344 379 D HA 0.528 5.168 4.640 0.000 0.000 0.253 379 D C 0.445 176.718 176.300 -0.045 0.000 1.255 379 D CA 1.459 55.428 54.000 -0.052 0.000 0.894 379 D CB 0.363 41.127 40.800 -0.061 0.000 1.067 379 D HN 0.859 nan 8.370 nan 0.000 0.492 380 G N 3.091 111.867 108.800 -0.040 0.000 2.525 380 G HA2 -0.165 3.795 3.960 0.000 0.000 0.685 380 G HA3 -0.165 3.795 3.960 0.000 0.000 0.685 380 G C -0.808 174.067 174.900 -0.040 0.000 1.290 380 G CA -1.021 44.056 45.100 -0.037 0.000 0.915 380 G HN 0.597 nan 8.290 nan 0.000 0.548 381 N N 1.123 119.800 118.700 -0.037 0.000 2.444 381 N HA 0.604 5.345 4.740 0.000 0.000 0.262 381 N C -0.574 174.910 175.510 -0.044 0.000 0.974 381 N CA -2.030 50.997 53.050 -0.038 0.000 0.933 381 N CB 2.169 40.638 38.487 -0.030 0.000 1.137 381 N HN 0.184 nan 8.380 nan 0.000 0.498 382 P HA -0.102 nan 4.420 nan 0.000 0.221 382 P C 1.304 178.576 177.300 -0.047 0.000 1.150 382 P CA 0.486 63.541 63.100 -0.075 0.000 0.800 382 P CB 0.591 32.229 31.700 -0.104 0.000 0.787 383 L N -0.113 121.091 121.223 -0.031 0.000 2.141 383 L HA -0.108 4.232 4.340 0.000 0.000 0.209 383 L C 2.502 179.366 176.870 -0.010 0.000 1.094 383 L CA 1.821 56.653 54.840 -0.015 0.000 0.763 383 L CB -1.131 40.920 42.059 -0.012 0.000 0.908 383 L HN -0.099 nan 8.230 nan 0.000 0.437 384 E N -0.800 119.391 120.200 -0.015 0.000 2.024 384 E HA -0.032 4.318 4.350 0.000 0.000 0.190 384 E C 0.352 176.945 176.600 -0.011 0.000 0.974 384 E CA 0.617 57.011 56.400 -0.011 0.000 0.810 384 E CB -0.197 29.497 29.700 -0.012 0.000 0.775 384 E HN 0.266 nan 8.360 nan 0.000 0.453 385 D N -0.101 120.287 120.400 -0.020 0.000 2.381 385 D HA 0.121 4.761 4.640 0.000 0.000 0.235 385 D C 0.457 176.734 176.300 -0.038 0.000 1.068 385 D CA -0.328 53.659 54.000 -0.022 0.000 0.832 385 D CB 1.067 41.854 40.800 -0.022 0.000 1.101 385 D HN -0.142 nan 8.370 nan 0.000 0.515 386 I N 3.463 124.016 120.570 -0.027 0.000 2.676 386 I HA 0.146 4.317 4.170 0.000 0.000 0.259 386 I C 1.971 178.049 176.117 -0.065 0.000 1.194 386 I CA 0.990 62.264 61.300 -0.044 0.000 1.473 386 I CB -0.237 37.770 38.000 0.011 0.000 1.096 386 I HN 0.603 nan 8.210 nan 0.000 0.443 387 G N 0.055 108.833 108.800 -0.037 0.000 2.498 387 G HA2 -0.188 3.772 3.960 0.000 0.000 0.219 387 G HA3 -0.188 3.772 3.960 0.000 0.000 0.219 387 G C 1.669 176.534 174.900 -0.058 0.000 1.119 387 G CA 1.033 46.112 45.100 -0.034 0.000 0.766 387 G HN 0.479 nan 8.290 nan 0.000 0.552 388 V N -1.235 118.633 119.914 -0.077 0.000 2.970 388 V HA -0.019 4.101 4.120 0.000 0.000 0.260 388 V C 2.180 178.201 176.094 -0.122 0.000 1.100 388 V CA 1.713 63.964 62.300 -0.083 0.000 1.122 388 V CB -0.157 31.622 31.823 -0.073 0.000 0.721 388 V HN 0.147 nan 8.190 nan 0.000 0.483 389 V N 0.165 119.951 119.914 -0.213 0.000 2.908 389 V HA 0.506 4.626 4.120 0.000 0.000 0.240 389 V C 1.763 177.694 176.094 -0.272 0.000 1.117 389 V CA 0.727 62.789 62.300 -0.396 0.000 1.133 389 V CB -0.265 31.004 31.823 -0.924 0.000 0.857 389 V HN 0.532 nan 8.190 nan 0.000 0.478 390 A N 0.599 123.332 122.820 -0.144 0.000 3.095 390 A HA 0.564 4.885 4.320 0.000 0.000 0.301 390 A C -0.141 177.459 177.584 0.027 0.000 1.432 390 A CA 0.207 52.265 52.037 0.036 0.000 1.140 390 A CB -0.476 18.605 19.000 0.134 0.000 1.174 390 A HN 0.354 nan 8.150 nan 0.000 0.546 391 D N 0.825 121.237 120.400 0.019 0.000 3.216 391 D HA 0.093 4.733 4.640 0.000 0.000 0.348 391 D C 0.245 176.550 176.300 0.009 0.000 1.407 391 D CA 0.000 54.001 54.000 0.001 0.000 0.744 391 D CB -0.425 40.367 40.800 -0.012 0.000 1.264 391 D HN 0.585 nan 8.370 nan 0.000 0.543 392 E N 0.172 120.395 120.200 0.039 0.000 2.883 392 E HA -0.221 4.130 4.350 0.000 0.000 0.271 392 E C 0.617 177.271 176.600 0.090 0.000 1.049 392 E CA 0.856 57.297 56.400 0.068 0.000 0.817 392 E CB -1.156 28.554 29.700 0.017 0.000 1.407 392 E HN 0.678 nan 8.360 nan 0.000 0.434 393 G N -1.705 107.146 108.800 0.085 0.000 2.326 393 G HA2 -0.180 3.780 3.960 0.000 0.000 0.286 393 G HA3 -0.180 3.780 3.960 0.000 0.000 0.286 393 G C 0.629 175.543 174.900 0.024 0.000 1.096 393 G CA 0.576 45.718 45.100 0.069 0.000 1.003 393 G HN 0.802 nan 8.290 nan 0.000 0.503 394 A N -0.162 122.660 122.820 0.003 0.000 1.968 394 A HA 0.205 4.525 4.320 0.000 0.000 0.217 394 A C 1.946 179.513 177.584 -0.028 0.000 1.169 394 A CA 1.422 53.452 52.037 -0.012 0.000 0.638 394 A CB 0.035 19.025 19.000 -0.016 0.000 0.812 394 A HN 0.533 nan 8.150 nan 0.000 0.446 395 R N -0.610 119.870 120.500 -0.033 0.000 3.130 395 R HA 0.349 4.690 4.340 0.000 0.000 0.348 395 R C -1.031 175.235 176.300 -0.056 0.000 1.241 395 R CA 0.007 56.078 56.100 -0.048 0.000 1.141 395 R CB 0.805 31.076 30.300 -0.048 0.000 1.453 395 R HN 0.195 nan 8.270 nan 0.000 0.590 396 V N 1.405 121.284 119.914 -0.058 0.000 2.531 396 V HA 0.223 4.343 4.120 0.000 0.000 0.301 396 V C 0.332 176.352 176.094 -0.124 0.000 1.034 396 V CA -0.438 61.816 62.300 -0.077 0.000 0.865 396 V CB 1.695 33.491 31.823 -0.045 0.000 0.995 396 V HN 0.396 nan 8.190 nan 0.000 0.424 397 E N 5.581 125.655 120.200 -0.210 0.000 2.288 397 E HA 0.087 4.437 4.350 0.000 0.000 0.200 397 E C -0.575 175.798 176.600 -0.378 0.000 0.880 397 E CA 0.363 56.542 56.400 -0.369 0.000 0.971 397 E CB 0.222 29.565 29.700 -0.594 0.000 0.954 397 E HN 0.630 nan 8.360 nan 0.000 0.489 398 Y N 1.331 121.604 120.300 -0.045 0.000 2.341 398 Y HA 0.501 5.051 4.550 0.000 0.000 0.337 398 Y C -0.091 175.762 175.900 -0.077 0.000 1.014 398 Y CA -1.203 56.866 58.100 -0.051 0.000 1.111 398 Y CB 2.109 40.543 38.460 -0.043 0.000 1.194 398 Y HN -0.230 nan 8.280 nan 0.000 0.462 399 V N 5.485 125.447 119.914 0.080 0.000 2.444 399 V HA 0.439 4.560 4.120 0.000 0.000 0.294 399 V C -0.620 175.472 176.094 -0.003 0.000 1.022 399 V CA -0.791 61.501 62.300 -0.013 0.000 0.850 399 V CB 1.430 33.221 31.823 -0.055 0.000 0.992 399 V HN 0.513 nan 8.190 nan 0.000 0.426 400 L N 4.217 125.423 121.223 -0.029 0.000 2.325 400 L HA 0.678 5.018 4.340 0.000 0.000 0.278 400 L C -0.182 176.664 176.870 -0.040 0.000 1.023 400 L CA 0.017 54.838 54.840 -0.031 0.000 0.811 400 L CB 1.675 43.712 42.059 -0.037 0.000 1.249 400 L HN 0.703 nan 8.230 nan 0.000 0.431 401 Q N 3.058 122.839 119.800 -0.031 0.000 2.274 401 Q HA 0.424 4.764 4.340 0.000 0.000 0.268 401 Q C -0.855 175.130 176.000 -0.025 0.000 1.015 401 Q CA -0.715 55.071 55.803 -0.028 0.000 0.775 401 Q CB 1.185 29.908 28.738 -0.025 0.000 1.256 401 Q HN 0.500 nan 8.270 nan 0.000 0.442 402 R N 2.956 123.444 120.500 -0.021 0.000 3.188 402 R HA -0.315 4.025 4.340 0.000 0.000 0.247 402 R C 0.642 176.930 176.300 -0.020 0.000 0.918 402 R CA 0.782 56.871 56.100 -0.018 0.000 0.629 402 R CB -2.106 28.181 30.300 -0.022 0.000 1.087 402 R HN 1.189 nan 8.270 nan 0.000 0.462 403 G N -1.147 107.641 108.800 -0.021 0.000 3.329 403 G HA2 -0.414 3.546 3.960 0.000 0.000 0.220 403 G HA3 -0.414 3.546 3.960 0.000 0.000 0.220 403 G C 0.278 175.161 174.900 -0.028 0.000 1.358 403 G CA 0.621 45.708 45.100 -0.023 0.000 0.856 403 G HN 0.713 nan 8.290 nan 0.000 0.551 404 T N 1.479 116.017 114.554 -0.027 0.000 2.907 404 T HA 0.524 4.874 4.350 0.000 0.000 0.298 404 T C 0.410 175.093 174.700 -0.028 0.000 1.017 404 T CA 0.201 62.285 62.100 -0.028 0.000 1.118 404 T CB 0.986 69.839 68.868 -0.025 0.000 0.948 404 T HN 1.126 nan 8.240 nan 0.000 0.531 405 L N 5.765 126.971 121.223 -0.029 0.000 2.367 405 L HA 0.379 4.719 4.340 0.000 0.000 0.275 405 L C 0.648 177.516 176.870 -0.004 0.000 1.129 405 L CA 0.227 55.055 54.840 -0.020 0.000 0.839 405 L CB 0.905 42.944 42.059 -0.034 0.000 1.133 405 L HN 0.658 nan 8.230 nan 0.000 0.453 406 V N 2.122 122.040 119.914 0.006 0.000 3.572 406 V HA 0.346 4.466 4.120 0.000 0.000 0.260 406 V C 0.439 176.545 176.094 0.021 0.000 1.324 406 V CA 0.101 62.405 62.300 0.007 0.000 1.068 406 V CB -0.335 31.487 31.823 -0.003 0.000 0.837 406 V HN 0.592 nan 8.190 nan 0.000 0.450 407 K N 1.406 121.830 120.400 0.041 0.000 2.385 407 K HA 0.684 5.004 4.320 0.000 0.000 0.248 407 K C -0.971 175.690 176.600 0.102 0.000 0.955 407 K CA -0.520 55.795 56.287 0.048 0.000 0.816 407 K CB 3.034 35.547 32.500 0.023 0.000 1.250 407 K HN 0.131 nan 8.250 nan 0.000 0.434 408 R N 1.955 122.493 120.500 0.063 0.000 2.512 408 R HA 0.267 4.607 4.340 0.000 0.000 0.291 408 R C -1.106 175.175 176.300 -0.031 0.000 1.097 408 R CA -0.142 55.995 56.100 0.061 0.000 0.940 408 R CB 1.337 31.706 30.300 0.115 0.000 1.198 408 R HN 0.708 nan 8.270 nan 0.000 0.429 409 Q N 0.000 119.723 119.800 -0.128 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.736 55.803 -0.112 0.000 1.022 409 Q CB 0.000 28.682 28.738 -0.093 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481