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_H 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 0.000 174.688 174.700 -0.020 0.000 1.109 2 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 2 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 3 I N 2.764 123.321 120.570 -0.023 0.000 2.410 3 I HA 0.684 4.854 4.170 0.000 0.000 0.286 3 I C -1.509 174.589 176.117 -0.032 0.000 1.009 3 I CA -0.203 61.083 61.300 -0.025 0.000 1.111 3 I CB 1.832 39.819 38.000 -0.022 0.000 1.262 3 I HN 0.086 nan 8.210 nan 0.000 0.443 4 T N 6.247 120.780 114.554 -0.035 0.000 2.855 4 T HA 0.556 4.906 4.350 0.000 0.000 0.281 4 T C -0.655 174.020 174.700 -0.042 0.000 1.007 4 T CA -0.515 61.558 62.100 -0.045 0.000 1.009 4 T CB 2.015 70.849 68.868 -0.056 0.000 0.983 4 T HN 0.323 nan 8.240 nan 0.000 0.455 5 V N 3.944 123.828 119.914 -0.049 0.000 2.409 5 V HA 0.353 4.473 4.120 0.000 0.000 0.290 5 V C -0.332 175.739 176.094 -0.040 0.000 1.017 5 V CA -0.856 61.421 62.300 -0.038 0.000 0.841 5 V CB 1.205 32.995 31.823 -0.055 0.000 1.003 5 V HN 0.725 nan 8.190 nan 0.000 0.426 6 L N 6.121 127.330 121.223 -0.023 0.000 2.360 6 L HA 0.426 4.766 4.340 0.000 0.000 0.276 6 L C 0.511 177.425 176.870 0.074 0.000 1.121 6 L CA 0.217 55.046 54.840 -0.017 0.000 0.845 6 L CB 0.435 42.478 42.059 -0.026 0.000 1.143 6 L HN 0.737 nan 8.230 nan 0.000 0.452 7 Q N 2.252 122.109 119.800 0.096 0.000 2.337 7 Q HA 0.607 4.947 4.340 0.000 0.000 0.266 7 Q C 0.524 176.663 176.000 0.232 0.000 1.023 7 Q CA -0.357 55.612 55.803 0.276 0.000 0.829 7 Q CB 2.114 30.931 28.738 0.132 0.000 1.306 7 Q HN 0.780 nan 8.270 nan 0.000 0.449 8 G N 1.749 110.695 108.800 0.242 0.000 2.179 8 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 8 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 8 G C 0.424 175.348 174.900 0.041 0.000 0.977 8 G CA -0.227 44.931 45.100 0.096 0.000 0.641 8 G HN 1.035 nan 8.290 nan 0.000 0.533 9 G N -0.357 108.454 108.800 0.019 0.000 2.634 9 G HA2 0.450 4.410 3.960 0.000 0.000 0.255 9 G HA3 0.450 4.410 3.960 0.000 0.000 0.255 9 G C -0.033 174.842 174.900 -0.041 0.000 1.205 9 G CA -0.079 45.019 45.100 -0.004 0.000 0.884 9 G HN 0.569 nan 8.290 nan 0.000 0.549 10 N N -0.131 118.534 118.700 -0.058 0.000 2.589 10 N HA 0.328 5.068 4.740 0.000 0.000 0.232 10 N C -0.367 175.108 175.510 -0.058 0.000 1.015 10 N CA -0.638 52.366 53.050 -0.076 0.000 0.931 10 N CB 2.017 40.442 38.487 -0.103 0.000 1.150 10 N HN 0.199 nan 8.380 nan 0.000 0.512 11 V N 2.598 122.476 119.914 -0.061 0.000 2.655 11 V HA -0.011 4.109 4.120 0.000 0.000 0.300 11 V C 0.562 176.604 176.094 -0.087 0.000 1.044 11 V CA -0.134 62.123 62.300 -0.070 0.000 1.095 11 V CB 0.798 32.572 31.823 -0.083 0.000 0.952 11 V HN 0.605 nan 8.190 nan 0.000 0.485 12 L N 4.580 125.769 121.223 -0.057 0.000 2.257 12 L HA 0.390 4.730 4.340 0.000 0.000 0.290 12 L C 0.116 176.961 176.870 -0.042 0.000 1.044 12 L CA -0.122 54.692 54.840 -0.045 0.000 0.810 12 L CB 0.901 42.950 42.059 -0.018 0.000 1.193 12 L HN 0.660 nan 8.230 nan 0.000 0.425 13 D N 4.937 125.306 120.400 -0.051 0.000 2.443 13 D HA 0.163 4.803 4.640 0.000 0.000 0.221 13 D C 0.751 177.041 176.300 -0.016 0.000 1.097 13 D CA -0.230 53.746 54.000 -0.040 0.000 0.865 13 D CB 1.463 42.226 40.800 -0.061 0.000 1.034 13 D HN 0.498 nan 8.370 nan 0.000 0.511 14 L N 3.128 124.351 121.223 0.000 0.000 2.341 14 L HA -0.063 4.277 4.340 0.000 0.000 0.214 14 L C 2.473 179.354 176.870 0.018 0.000 1.115 14 L CA 0.467 55.316 54.840 0.016 0.000 0.820 14 L CB 0.076 42.154 42.059 0.032 0.000 0.944 14 L HN 0.410 nan 8.230 nan 0.000 0.452 15 E N 0.334 120.542 120.200 0.013 0.000 2.072 15 E HA -0.183 4.167 4.350 0.000 0.000 0.190 15 E C 1.973 178.579 176.600 0.009 0.000 0.982 15 E CA 0.840 57.249 56.400 0.015 0.000 0.803 15 E CB -0.276 29.432 29.700 0.014 0.000 0.755 15 E HN 0.473 nan 8.360 nan 0.000 0.453 16 R N 0.373 120.873 120.500 0.000 0.000 2.153 16 R HA 0.029 4.370 4.340 0.000 0.000 0.218 16 R C 1.052 177.350 176.300 -0.004 0.000 1.072 16 R CA 0.725 56.822 56.100 -0.004 0.000 0.990 16 R CB -0.101 30.190 30.300 -0.016 0.000 0.889 16 R HN 0.417 nan 8.270 nan 0.000 0.452 17 G N 1.232 110.031 108.800 -0.002 0.000 2.225 17 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 17 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 17 G C -0.049 174.847 174.900 -0.007 0.000 1.060 17 G CA 0.343 45.444 45.100 0.001 0.000 0.833 17 G HN 0.285 nan 8.290 nan 0.000 0.498 18 V N -3.212 116.690 119.914 -0.020 0.000 3.114 18 V HA 0.797 4.917 4.120 0.000 0.000 0.308 18 V C 0.399 176.463 176.094 -0.049 0.000 1.168 18 V CA -1.715 60.567 62.300 -0.030 0.000 1.015 18 V CB 2.225 34.029 31.823 -0.031 0.000 1.050 18 V HN 0.263 nan 8.190 nan 0.000 0.433 19 L N 2.680 123.872 121.223 -0.052 0.000 2.281 19 L HA 0.446 4.787 4.340 0.000 0.000 0.285 19 L C -0.393 176.415 176.870 -0.102 0.000 1.074 19 L CA -0.447 54.350 54.840 -0.072 0.000 0.817 19 L CB 1.252 43.276 42.059 -0.059 0.000 1.168 19 L HN 0.583 nan 8.230 nan 0.000 0.434 20 L N 5.423 126.543 121.223 -0.172 0.000 2.389 20 L HA 0.152 4.492 4.340 0.000 0.000 0.265 20 L C 0.692 177.510 176.870 -0.087 0.000 1.167 20 L CA -0.587 54.065 54.840 -0.313 0.000 1.045 20 L CB -0.119 41.478 42.059 -0.769 0.000 1.351 20 L HN 0.611 nan 8.230 nan 0.000 0.419 21 E N 3.254 123.453 120.200 -0.002 0.000 2.413 21 E HA -0.100 4.250 4.350 0.000 0.000 0.263 21 E C 0.115 176.726 176.600 0.019 0.000 1.015 21 E CA -0.188 56.144 56.400 -0.115 0.000 0.916 21 E CB 0.274 29.805 29.700 -0.281 0.000 0.947 21 E HN 0.557 nan 8.360 nan 0.000 0.440 22 H N -0.116 118.976 119.070 0.037 0.000 2.899 22 H HA -0.160 4.396 4.556 0.000 0.000 0.282 22 H C -0.765 174.360 175.328 -0.340 0.000 1.198 22 H CA 1.214 57.186 56.048 -0.126 0.000 1.140 22 H CB -2.397 27.285 29.762 -0.134 0.000 1.317 22 H HN 0.591 nan 8.280 nan 0.000 0.375 23 H N 0.932 119.882 119.070 -0.200 0.000 2.489 23 H HA 0.317 4.873 4.556 0.000 0.000 0.322 23 H C 0.795 175.971 175.328 -0.252 0.000 1.091 23 H CA -0.296 55.611 56.048 -0.234 0.000 1.291 23 H CB 0.717 30.419 29.762 -0.099 0.000 1.436 23 H HN 0.237 nan 8.280 nan 0.000 0.480 24 H N 1.932 121.054 119.070 0.088 0.000 2.487 24 H HA 0.287 4.843 4.556 0.000 0.000 0.333 24 H C -0.253 175.103 175.328 0.047 0.000 1.114 24 H CA -0.583 55.492 56.048 0.046 0.000 1.310 24 H CB 1.137 30.907 29.762 0.014 0.000 1.462 24 H HN 0.261 nan 8.280 nan 0.000 0.516 25 V N 3.205 123.203 119.914 0.139 0.000 2.435 25 V HA 0.212 4.332 4.120 0.000 0.000 0.290 25 V C 0.217 176.342 176.094 0.052 0.000 1.030 25 V CA -0.816 61.528 62.300 0.074 0.000 0.881 25 V CB 1.810 33.653 31.823 0.034 0.000 0.983 25 V HN 0.452 nan 8.190 nan 0.000 0.445 26 V N 5.637 125.573 119.914 0.036 0.000 2.378 26 V HA 0.477 4.597 4.120 0.000 0.000 0.288 26 V C -0.335 175.760 176.094 0.002 0.000 1.016 26 V CA -0.477 61.830 62.300 0.013 0.000 0.840 26 V CB 1.561 33.391 31.823 0.012 0.000 0.994 26 V HN 0.596 nan 8.190 nan 0.000 0.431 27 I N 3.483 124.048 120.570 -0.010 0.000 2.359 27 I HA 0.468 4.638 4.170 0.000 0.000 0.294 27 I C -0.318 175.791 176.117 -0.014 0.000 0.987 27 I CA -0.424 60.868 61.300 -0.013 0.000 1.225 27 I CB 1.477 39.464 38.000 -0.022 0.000 1.366 27 I HN 0.645 nan 8.210 nan 0.000 0.466 28 D N 3.911 124.305 120.400 -0.011 0.000 2.471 28 D HA 0.560 5.200 4.640 0.000 0.000 0.245 28 D C 0.702 176.996 176.300 -0.010 0.000 1.116 28 D CA 0.560 54.554 54.000 -0.011 0.000 0.853 28 D CB 1.258 42.053 40.800 -0.008 0.000 1.123 28 D HN 0.834 nan 8.370 nan 0.000 0.540 29 G N 4.153 112.945 108.800 -0.013 0.000 3.377 29 G HA2 -0.323 3.637 3.960 0.000 0.000 0.304 29 G HA3 -0.323 3.637 3.960 0.000 0.000 0.304 29 G C 0.676 175.568 174.900 -0.014 0.000 1.366 29 G CA 0.414 45.507 45.100 -0.012 0.000 1.020 29 G HN 0.552 nan 8.290 nan 0.000 0.621 30 E N 0.733 120.927 120.200 -0.010 0.000 2.676 30 E HA 0.315 4.665 4.350 0.000 0.000 0.222 30 E C 0.720 177.316 176.600 -0.007 0.000 0.968 30 E CA -0.169 56.225 56.400 -0.011 0.000 1.090 30 E CB 1.093 30.787 29.700 -0.010 0.000 1.066 30 E HN 0.414 nan 8.360 nan 0.000 0.496 31 R N 0.755 121.252 120.500 -0.005 0.000 2.771 31 R HA 0.486 4.826 4.340 0.000 0.000 0.274 31 R C -0.638 175.662 176.300 -0.001 0.000 0.987 31 R CA -0.808 55.292 56.100 -0.001 0.000 0.908 31 R CB 2.135 32.437 30.300 0.003 0.000 1.213 31 R HN -0.049 nan 8.270 nan 0.000 0.468 32 I N 2.541 123.112 120.570 0.002 0.000 2.471 32 I HA 0.007 4.177 4.170 0.000 0.000 0.286 32 I C 1.102 177.224 176.117 0.008 0.000 1.079 32 I CA -0.057 61.246 61.300 0.004 0.000 1.398 32 I CB 1.044 39.048 38.000 0.006 0.000 1.403 32 I HN 0.456 nan 8.210 nan 0.000 0.530 33 V N 3.164 123.084 119.914 0.009 0.000 3.379 33 V HA 0.235 4.355 4.120 0.000 0.000 0.249 33 V C 0.480 176.585 176.094 0.017 0.000 1.184 33 V CA 0.262 62.569 62.300 0.011 0.000 1.106 33 V CB -0.222 31.604 31.823 0.006 0.000 0.826 33 V HN 0.788 nan 8.190 nan 0.000 0.465 34 E N -0.146 120.069 120.200 0.024 0.000 2.335 34 E HA 0.584 4.934 4.350 0.000 0.000 0.280 34 E C -2.026 174.605 176.600 0.052 0.000 0.918 34 E CA -0.309 56.113 56.400 0.036 0.000 0.765 34 E CB 3.058 32.780 29.700 0.035 0.000 1.218 34 E HN 0.010 nan 8.360 nan 0.000 0.425 35 V N 2.937 122.889 119.914 0.064 0.000 2.409 35 V HA 0.554 4.674 4.120 0.000 0.000 0.290 35 V C -0.359 175.815 176.094 0.134 0.000 1.017 35 V CA -0.496 61.859 62.300 0.092 0.000 0.841 35 V CB 1.511 33.371 31.823 0.063 0.000 1.003 35 V HN 0.704 nan 8.190 nan 0.000 0.426 36 T N 1.234 115.884 114.554 0.161 0.000 2.916 36 T HA 0.378 4.728 4.350 0.000 0.000 0.305 36 T C 0.201 174.907 174.700 0.011 0.000 1.119 36 T CA -0.243 61.936 62.100 0.131 0.000 1.008 36 T CB 2.081 71.013 68.868 0.105 0.000 1.129 36 T HN 0.723 nan 8.240 nan 0.000 0.480 37 D N 1.959 122.241 120.400 -0.196 0.000 2.346 37 D HA 0.055 4.695 4.640 0.000 0.000 0.206 37 D C 0.498 176.717 176.300 -0.136 0.000 1.001 37 D CA -0.043 53.664 54.000 -0.488 0.000 0.871 37 D CB 0.112 40.466 40.800 -0.744 0.000 0.943 37 D HN 0.303 nan 8.370 nan 0.000 0.518 38 R N 1.452 121.949 120.500 -0.004 0.000 2.594 38 R HA 0.261 4.601 4.340 0.000 0.000 0.272 38 R C -2.282 174.090 176.300 0.120 0.000 1.074 38 R CA -1.708 54.417 56.100 0.042 0.000 1.105 38 R CB -0.744 29.571 30.300 0.025 0.000 1.008 38 R HN 0.048 nan 8.270 nan 0.000 0.472 39 P HA -0.095 nan 4.420 nan 0.000 0.256 39 P C -0.032 177.226 177.300 -0.071 0.000 1.173 39 P CA 0.237 63.340 63.100 0.004 0.000 0.768 39 P CB 0.325 32.020 31.700 -0.009 0.000 0.758 40 V N 3.897 123.683 119.914 -0.213 0.000 2.572 40 V HA 0.014 4.134 4.120 0.000 0.000 0.291 40 V C 0.473 176.494 176.094 -0.122 0.000 1.039 40 V CA 0.017 62.209 62.300 -0.180 0.000 1.055 40 V CB 0.531 32.182 31.823 -0.287 0.000 0.969 40 V HN 0.399 nan 8.190 nan 0.000 0.482 41 D N 5.521 125.876 120.400 -0.074 0.000 2.551 41 D HA 0.209 4.849 4.640 0.000 0.000 0.223 41 D C 0.255 176.521 176.300 -0.056 0.000 1.144 41 D CA -0.187 53.780 54.000 -0.056 0.000 1.025 41 D CB -0.167 40.612 40.800 -0.036 0.000 1.085 41 D HN 0.614 nan 8.370 nan 0.000 0.506 42 L N 1.541 122.723 121.223 -0.070 0.000 2.342 42 L HA 0.518 4.858 4.340 0.000 0.000 0.285 42 L C -1.867 174.976 176.870 -0.046 0.000 1.095 42 L CA -1.137 53.666 54.840 -0.062 0.000 0.843 42 L CB 0.254 42.266 42.059 -0.078 0.000 1.201 42 L HN 0.088 nan 8.230 nan 0.000 0.445 43 P HA 0.023 nan 4.420 nan 0.000 0.236 43 P C -0.289 176.995 177.300 -0.028 0.000 1.160 43 P CA -0.056 63.027 63.100 -0.029 0.000 0.688 43 P CB 0.203 31.889 31.700 -0.024 0.000 1.193 44 N N 0.403 119.089 118.700 -0.024 0.000 2.819 44 N HA 0.343 5.083 4.740 0.000 0.000 0.284 44 N C -1.079 174.416 175.510 -0.026 0.000 1.196 44 N CA -0.281 52.756 53.050 -0.023 0.000 1.114 44 N CB -0.553 37.923 38.487 -0.019 0.000 1.437 44 N HN 0.261 nan 8.380 nan 0.000 0.518 45 A N 2.547 125.349 122.820 -0.030 0.000 2.422 45 A HA 0.224 4.544 4.320 0.000 0.000 0.302 45 A C -0.637 176.924 177.584 -0.039 0.000 1.041 45 A CA -0.690 51.326 52.037 -0.035 0.000 0.708 45 A CB 1.556 20.532 19.000 -0.040 0.000 1.257 45 A HN 0.618 nan 8.150 nan 0.000 0.414 46 Q N 1.468 121.244 119.800 -0.041 0.000 2.293 46 Q HA 0.542 4.882 4.340 0.000 0.000 0.263 46 Q C -0.130 175.836 176.000 -0.057 0.000 1.002 46 Q CA -0.159 55.617 55.803 -0.046 0.000 0.910 46 Q CB 0.811 29.520 28.738 -0.047 0.000 1.185 46 Q HN 0.953 nan 8.270 nan 0.000 0.401 47 A N 5.145 127.931 122.820 -0.057 0.000 2.312 47 A HA 0.669 4.989 4.320 0.000 0.000 0.326 47 A C -0.848 176.690 177.584 -0.078 0.000 1.172 47 A CA -0.659 51.340 52.037 -0.063 0.000 0.821 47 A CB 0.757 19.726 19.000 -0.052 0.000 1.166 47 A HN 0.830 nan 8.150 nan 0.000 0.493 48 I N 1.701 122.212 120.570 -0.098 0.000 2.468 48 I HA 0.189 4.359 4.170 0.000 0.000 0.285 48 I C -1.041 175.024 176.117 -0.087 0.000 1.039 48 I CA -0.470 60.741 61.300 -0.149 0.000 1.074 48 I CB 2.091 39.901 38.000 -0.316 0.000 1.228 48 I HN 0.701 nan 8.210 nan 0.000 0.436 49 D N 6.239 126.620 120.400 -0.032 0.000 2.338 49 D HA 0.223 4.864 4.640 0.000 0.000 0.255 49 D C 0.080 176.413 176.300 0.055 0.000 1.237 49 D CA 0.138 54.152 54.000 0.024 0.000 0.883 49 D CB 1.123 41.946 40.800 0.038 0.000 1.087 49 D HN 0.219 nan 8.370 nan 0.000 0.485 50 V N 5.095 125.045 119.914 0.060 0.000 2.988 50 V HA 0.122 4.242 4.120 0.000 0.000 0.356 50 V C 0.768 176.903 176.094 0.067 0.000 1.380 50 V CA -0.683 61.662 62.300 0.076 0.000 1.184 50 V CB -0.791 31.063 31.823 0.052 0.000 1.204 50 V HN 0.552 nan 8.190 nan 0.000 0.530 51 R N 1.776 122.320 120.500 0.074 0.000 2.537 51 R HA 0.315 4.655 4.340 0.000 0.000 0.280 51 R C 0.897 177.229 176.300 0.054 0.000 1.058 51 R CA 1.159 57.305 56.100 0.077 0.000 1.057 51 R CB 0.377 30.739 30.300 0.102 0.000 0.973 51 R HN 0.652 nan 8.270 nan 0.000 0.438 52 G N 2.145 110.964 108.800 0.031 0.000 2.153 52 G HA2 -0.321 3.639 3.960 0.000 0.000 0.252 52 G HA3 -0.321 3.639 3.960 0.000 0.000 0.252 52 G C -0.349 174.552 174.900 0.002 0.000 0.994 52 G CA 0.855 45.961 45.100 0.010 0.000 0.698 52 G HN 0.650 nan 8.290 nan 0.000 0.521 53 K N 0.058 120.460 120.400 0.004 0.000 2.422 53 K HA 0.548 4.868 4.320 0.000 0.000 0.251 53 K C -0.189 176.408 176.600 -0.005 0.000 0.933 53 K CA -0.553 55.739 56.287 0.007 0.000 0.798 53 K CB 1.534 34.057 32.500 0.038 0.000 1.238 53 K HN 0.050 nan 8.250 nan 0.000 0.428 54 T N 1.863 116.409 114.554 -0.012 0.000 2.779 54 T HA 0.171 4.521 4.350 0.000 0.000 0.296 54 T C -0.263 174.428 174.700 -0.015 0.000 0.938 54 T CA -0.464 61.624 62.100 -0.021 0.000 1.119 54 T CB 0.442 69.296 68.868 -0.024 0.000 0.891 54 T HN 0.120 nan 8.240 nan 0.000 0.526 55 V N 6.474 126.376 119.914 -0.020 0.000 2.350 55 V HA 0.565 4.685 4.120 0.000 0.000 0.276 55 V C 0.162 176.236 176.094 -0.033 0.000 1.028 55 V CA -0.614 61.672 62.300 -0.023 0.000 0.860 55 V CB 0.581 32.395 31.823 -0.014 0.000 0.990 55 V HN 0.933 nan 8.190 nan 0.000 0.453 56 M N 5.246 124.817 119.600 -0.047 0.000 2.667 56 M HA 0.807 5.287 4.480 0.000 0.000 0.286 56 M C -3.085 173.169 176.300 -0.076 0.000 1.270 56 M CA -2.278 52.998 55.300 -0.039 0.000 0.826 56 M CB 2.487 35.088 32.600 0.001 0.000 1.743 56 M HN 0.173 nan 8.290 nan 0.000 0.460 57 P HA 0.208 nan 4.420 nan 0.000 0.271 57 P C -0.081 177.107 177.300 -0.186 0.000 1.218 57 P CA 0.118 63.175 63.100 -0.071 0.000 0.780 57 P CB 0.353 32.048 31.700 -0.007 0.000 0.901 58 G N 2.199 110.860 108.800 -0.231 0.000 2.432 58 G HA2 0.234 4.194 3.960 0.000 0.000 0.239 58 G HA3 0.234 4.194 3.960 0.000 0.000 0.239 58 G C -0.545 174.193 174.900 -0.270 0.000 1.291 58 G CA -0.266 44.592 45.100 -0.402 0.000 0.863 58 G HN 0.219 nan 8.290 nan 0.000 0.560 59 F N 0.442 120.260 119.950 -0.219 0.000 2.459 59 F HA 0.406 4.933 4.527 0.000 0.000 0.346 59 F C 0.871 176.654 175.800 -0.028 0.000 1.128 59 F CA -0.922 56.916 58.000 -0.271 0.000 1.268 59 F CB 0.652 39.168 39.000 -0.805 0.000 1.161 59 F HN 0.168 nan 8.300 nan 0.000 0.583 60 I N 2.164 122.893 120.570 0.265 0.000 2.382 60 I HA 0.199 4.369 4.170 0.000 0.000 0.286 60 I C -0.440 175.890 176.117 0.354 0.000 1.002 60 I CA -0.651 60.823 61.300 0.291 0.000 1.135 60 I CB 1.318 39.409 38.000 0.152 0.000 1.288 60 I HN 0.458 nan 8.210 nan 0.000 0.448 61 D N 4.875 125.527 120.400 0.419 0.000 2.210 61 D HA 0.224 4.864 4.640 0.000 0.000 0.249 61 D C 0.119 176.541 176.300 0.204 0.000 1.078 61 D CA -0.318 53.885 54.000 0.337 0.000 0.875 61 D CB 1.972 42.822 40.800 0.083 0.000 1.175 61 D HN 0.601 nan 8.370 nan 0.000 0.440 62 C N 2.110 121.520 119.300 0.184 0.000 2.906 62 C HA 0.180 4.640 4.460 0.000 0.000 0.274 62 C C 0.631 175.677 174.990 0.093 0.000 1.257 62 C CA -0.248 58.823 59.018 0.090 0.000 1.695 62 C CB -1.388 26.380 27.740 0.046 0.000 1.958 62 C HN 0.580 nan 8.230 nan 0.000 0.619 63 H N 0.304 119.354 119.070 -0.034 0.000 3.059 63 H HA 0.477 5.033 4.556 0.000 0.000 0.302 63 H C -0.740 174.521 175.328 -0.111 0.000 1.264 63 H CA -0.105 55.883 56.048 -0.100 0.000 1.615 63 H CB 0.547 30.227 29.762 -0.136 0.000 1.795 63 H HN 0.102 nan 8.280 nan 0.000 0.556 64 V N 0.842 120.630 119.914 -0.210 0.000 3.046 64 V HA 0.571 4.691 4.120 0.000 0.000 0.316 64 V C -0.513 175.381 176.094 -0.333 0.000 1.104 64 V CA -0.771 61.456 62.300 -0.122 0.000 1.006 64 V CB 2.452 34.272 31.823 -0.005 0.000 1.058 64 V HN 0.712 nan 8.190 nan 0.000 0.440 65 H N 1.808 120.932 119.070 0.090 0.000 2.530 65 H HA 0.402 4.958 4.556 0.000 0.000 0.246 65 H C 0.765 176.180 175.328 0.144 0.000 1.346 65 H CA -0.203 55.893 56.048 0.080 0.000 1.424 65 H CB 1.729 31.529 29.762 0.063 0.000 1.445 65 H HN 0.559 nan 8.280 nan 0.000 0.511 66 V N 2.321 122.315 119.914 0.134 0.000 2.380 66 V HA -0.255 3.866 4.120 0.000 0.000 0.251 66 V C 2.155 178.271 176.094 0.037 0.000 1.063 66 V CA 1.716 64.041 62.300 0.042 0.000 1.055 66 V CB -0.155 31.669 31.823 0.002 0.000 0.657 66 V HN 0.548 nan 8.190 nan 0.000 0.455 67 L N -0.236 121.034 121.223 0.079 0.000 2.592 67 L HA 0.298 4.638 4.340 0.000 0.000 0.227 67 L C 1.378 178.283 176.870 0.058 0.000 1.127 67 L CA 0.114 54.985 54.840 0.052 0.000 0.884 67 L CB -0.158 41.928 42.059 0.045 0.000 1.065 67 L HN 0.246 nan 8.230 nan 0.000 0.457 68 A N -0.056 122.835 122.820 0.118 0.000 2.797 68 A HA 0.203 4.523 4.320 0.000 0.000 0.296 68 A C 1.408 179.058 177.584 0.110 0.000 1.580 68 A CA 0.311 52.394 52.037 0.077 0.000 1.277 68 A CB -0.200 18.842 19.000 0.069 0.000 1.101 68 A HN 0.381 nan 8.150 nan 0.000 0.562 69 S N 1.458 117.180 115.700 0.037 0.000 2.501 69 S HA 0.024 4.494 4.470 0.000 0.000 0.220 69 S C 0.480 175.080 174.600 -0.001 0.000 0.997 69 S CA 0.298 58.513 58.200 0.026 0.000 0.919 69 S CB -0.449 62.747 63.200 -0.007 0.000 0.778 69 S HN 0.932 nan 8.310 nan 0.000 0.523 70 N N -1.156 117.528 118.700 -0.026 0.000 2.284 70 N HA 0.656 5.396 4.740 0.000 0.000 0.289 70 N C 0.370 175.847 175.510 -0.054 0.000 1.179 70 N CA -0.358 52.665 53.050 -0.046 0.000 0.774 70 N CB 1.266 39.723 38.487 -0.049 0.000 1.548 70 N HN -0.052 nan 8.380 nan 0.000 0.473 71 A N 1.042 123.841 122.820 -0.035 0.000 2.121 71 A HA -0.086 4.234 4.320 0.000 0.000 0.218 71 A C 0.785 178.343 177.584 -0.044 0.000 1.154 71 A CA 0.923 52.948 52.037 -0.019 0.000 0.679 71 A CB -0.839 18.194 19.000 0.055 0.000 0.795 71 A HN 0.748 nan 8.150 nan 0.000 0.458 72 N N 0.414 119.077 118.700 -0.061 0.000 2.437 72 N HA 0.357 5.097 4.740 0.000 0.000 0.243 72 N C 0.476 175.858 175.510 -0.213 0.000 1.041 72 N CA -0.173 52.816 53.050 -0.103 0.000 0.940 72 N CB 0.436 38.882 38.487 -0.068 0.000 1.133 72 N HN 0.231 nan 8.380 nan 0.000 0.506 73 L N 2.182 123.196 121.223 -0.348 0.000 2.291 73 L HA 0.099 4.439 4.340 0.000 0.000 0.214 73 L C 2.121 178.448 176.870 -0.905 0.000 1.120 73 L CA 0.777 55.246 54.840 -0.620 0.000 0.799 73 L CB -0.252 41.348 42.059 -0.764 0.000 0.925 73 L HN 0.640 nan 8.230 nan 0.000 0.446 74 G N -0.459 107.890 108.800 -0.750 0.000 2.414 74 G HA2 -0.219 3.741 3.960 0.000 0.000 0.215 74 G HA3 -0.219 3.741 3.960 0.000 0.000 0.215 74 G C 1.573 176.327 174.900 -0.244 0.000 1.188 74 G CA 0.795 45.614 45.100 -0.467 0.000 0.783 74 G HN 0.169 nan 8.290 nan 0.000 0.537 75 V N 0.939 120.747 119.914 -0.178 0.000 2.809 75 V HA -0.080 4.040 4.120 0.000 0.000 0.256 75 V C 2.422 178.449 176.094 -0.111 0.000 1.080 75 V CA 2.054 64.290 62.300 -0.107 0.000 1.102 75 V CB -0.396 31.387 31.823 -0.068 0.000 0.705 75 V HN 0.483 nan 8.190 nan 0.000 0.475 76 N N 0.634 119.238 118.700 -0.161 0.000 2.120 76 N HA -0.124 4.616 4.740 0.000 0.000 0.188 76 N C 1.659 177.101 175.510 -0.114 0.000 1.024 76 N CA 1.604 54.572 53.050 -0.137 0.000 0.852 76 N CB -0.309 38.072 38.487 -0.177 0.000 1.003 76 N HN 0.477 nan 8.380 nan 0.000 0.424 77 A N -0.937 121.793 122.820 -0.149 0.000 2.209 77 A HA -0.023 4.297 4.320 0.000 0.000 0.212 77 A C 1.913 179.474 177.584 -0.038 0.000 1.158 77 A CA 1.560 53.546 52.037 -0.084 0.000 0.742 77 A CB -0.667 18.285 19.000 -0.081 0.000 0.790 77 A HN 0.560 nan 8.150 nan 0.000 0.472 78 T N -2.101 112.427 114.554 -0.044 0.000 3.001 78 T HA 0.120 4.470 4.350 0.000 0.000 0.251 78 T C 0.894 175.587 174.700 -0.012 0.000 1.040 78 T CA 0.153 62.242 62.100 -0.019 0.000 0.985 78 T CB -0.404 68.452 68.868 -0.020 0.000 1.011 78 T HN 0.657 nan 8.240 nan 0.000 0.509 79 Q N 2.012 121.800 119.800 -0.020 0.000 2.392 79 Q HA 0.321 4.661 4.340 0.000 0.000 0.262 79 Q C -2.685 173.315 176.000 -0.000 0.000 1.003 79 Q CA -1.769 54.026 55.803 -0.013 0.000 0.888 79 Q CB -0.203 28.523 28.738 -0.020 0.000 1.260 79 Q HN 0.111 nan 8.270 nan 0.000 0.435 80 P HA 0.051 nan 4.420 nan 0.000 0.272 80 P C -0.081 177.226 177.300 0.012 0.000 1.230 80 P CA -0.377 62.730 63.100 0.010 0.000 0.788 80 P CB 0.538 32.242 31.700 0.007 0.000 0.949 81 N N 0.543 119.255 118.700 0.019 0.000 2.137 81 N HA -0.144 4.596 4.740 0.000 0.000 0.190 81 N C 1.413 176.931 175.510 0.013 0.000 1.017 81 N CA 1.442 54.505 53.050 0.022 0.000 0.859 81 N CB -0.636 37.868 38.487 0.028 0.000 1.002 81 N HN 0.348 nan 8.380 nan 0.000 0.428 82 I N 0.259 120.833 120.570 0.008 0.000 2.235 82 I HA -0.100 4.070 4.170 0.000 0.000 0.241 82 I C 2.152 178.268 176.117 -0.002 0.000 1.085 82 I CA 0.502 61.803 61.300 0.002 0.000 1.378 82 I CB -0.348 37.652 38.000 0.000 0.000 1.076 82 I HN 0.025 nan 8.210 nan 0.000 0.415 83 L N 0.334 121.556 121.223 -0.002 0.000 2.079 83 L HA -0.259 4.081 4.340 0.000 0.000 0.210 83 L C 2.699 179.564 176.870 -0.008 0.000 1.081 83 L CA 1.409 56.245 54.840 -0.006 0.000 0.752 83 L CB -0.636 41.419 42.059 -0.007 0.000 0.896 83 L HN 0.305 nan 8.230 nan 0.000 0.433 84 A N -0.198 122.619 122.820 -0.004 0.000 1.858 84 A HA -0.215 4.105 4.320 0.000 0.000 0.216 84 A C 2.513 180.094 177.584 -0.005 0.000 1.190 84 A CA 1.865 53.899 52.037 -0.005 0.000 0.617 84 A CB -0.826 18.175 19.000 0.002 0.000 0.827 84 A HN 0.418 nan 8.150 nan 0.000 0.443 85 A N -0.094 122.724 122.820 -0.003 0.000 1.877 85 A HA -0.070 4.250 4.320 0.000 0.000 0.216 85 A C 1.996 179.571 177.584 -0.016 0.000 1.186 85 A CA 1.693 53.726 52.037 -0.007 0.000 0.620 85 A CB -0.556 18.442 19.000 -0.004 0.000 0.822 85 A HN 0.399 nan 8.150 nan 0.000 0.443 86 I N 0.017 120.578 120.570 -0.015 0.000 2.208 86 I HA -0.227 3.943 4.170 0.000 0.000 0.245 86 I C 2.455 178.557 176.117 -0.025 0.000 1.097 86 I CA 1.513 62.801 61.300 -0.019 0.000 1.363 86 I CB -1.338 36.653 38.000 -0.016 0.000 1.051 86 I HN 0.354 nan 8.210 nan 0.000 0.413 87 R N 0.530 121.015 120.500 -0.024 0.000 2.237 87 R HA -0.094 4.246 4.340 0.000 0.000 0.219 87 R C 2.310 178.585 176.300 -0.042 0.000 1.080 87 R CA 1.393 57.475 56.100 -0.030 0.000 0.995 87 R CB -0.226 30.059 30.300 -0.025 0.000 0.875 87 R HN 0.514 nan 8.270 nan 0.000 0.462 88 S N 0.278 115.955 115.700 -0.040 0.000 2.470 88 S HA 0.022 4.492 4.470 0.000 0.000 0.225 88 S C 1.962 176.524 174.600 -0.064 0.000 1.006 88 S CA 0.234 58.401 58.200 -0.055 0.000 0.934 88 S CB -0.129 63.050 63.200 -0.034 0.000 0.778 88 S HN 0.189 nan 8.310 nan 0.000 0.517 89 L N 1.217 122.411 121.223 -0.049 0.000 2.046 89 L HA 0.045 4.385 4.340 0.000 0.000 0.208 89 L C -0.607 176.235 176.870 -0.048 0.000 1.077 89 L CA 1.102 55.915 54.840 -0.045 0.000 0.747 89 L CB -1.871 40.166 42.059 -0.036 0.000 0.896 89 L HN 0.269 nan 8.230 nan 0.000 0.432 90 P HA -0.108 nan 4.420 nan 0.000 0.219 90 P C 1.833 179.093 177.300 -0.067 0.000 1.150 90 P CA 1.268 64.340 63.100 -0.047 0.000 0.814 90 P CB 0.095 31.770 31.700 -0.042 0.000 0.787 91 I N -1.250 119.253 120.570 -0.112 0.000 2.142 91 I HA -0.235 3.935 4.170 0.000 0.000 0.240 91 I C 2.288 178.319 176.117 -0.144 0.000 1.078 91 I CA 1.365 62.544 61.300 -0.202 0.000 1.343 91 I CB -0.740 37.044 38.000 -0.361 0.000 1.046 91 I HN -0.113 nan 8.210 nan 0.000 0.405 92 L N 0.428 121.591 121.223 -0.100 0.000 2.013 92 L HA -0.298 4.043 4.340 0.000 0.000 0.212 92 L C 2.313 179.172 176.870 -0.019 0.000 1.073 92 L CA 1.821 56.630 54.840 -0.052 0.000 0.753 92 L CB -0.686 41.346 42.059 -0.044 0.000 0.890 92 L HN 0.296 nan 8.230 nan 0.000 0.432 93 D N -0.236 120.150 120.400 -0.023 0.000 2.123 93 D HA -0.212 4.428 4.640 0.000 0.000 0.196 93 D C 2.117 178.425 176.300 0.014 0.000 0.992 93 D CA 1.460 55.457 54.000 -0.006 0.000 0.833 93 D CB 0.079 40.870 40.800 -0.014 0.000 0.954 93 D HN 0.295 nan 8.370 nan 0.000 0.455 94 A N -0.136 122.688 122.820 0.007 0.000 1.933 94 A HA -0.139 4.181 4.320 0.000 0.000 0.218 94 A C 2.338 179.974 177.584 0.087 0.000 1.175 94 A CA 1.420 53.478 52.037 0.035 0.000 0.628 94 A CB -0.559 18.452 19.000 0.018 0.000 0.814 94 A HN 0.311 nan 8.150 nan 0.000 0.444 95 M N -1.381 118.266 119.600 0.079 0.000 2.229 95 M HA -0.081 4.399 4.480 0.000 0.000 0.264 95 M C 2.157 178.606 176.300 0.247 0.000 1.063 95 M CA 1.098 56.491 55.300 0.155 0.000 1.114 95 M CB -0.346 32.299 32.600 0.075 0.000 1.387 95 M HN 0.474 nan 8.290 nan 0.000 0.420 96 L N 0.474 121.782 121.223 0.142 0.000 2.005 96 L HA -0.130 4.210 4.340 0.000 0.000 0.207 96 L C 2.611 179.537 176.870 0.094 0.000 1.072 96 L CA 2.238 57.146 54.840 0.112 0.000 0.744 96 L CB -0.785 41.306 42.059 0.053 0.000 0.895 96 L HN 0.309 nan 8.230 nan 0.000 0.433 97 S N -1.125 114.623 115.700 0.080 0.000 2.447 97 S HA -0.155 4.315 4.470 0.000 0.000 0.233 97 S C 2.010 176.662 174.600 0.086 0.000 1.006 97 S CA 0.676 58.909 58.200 0.056 0.000 0.957 97 S CB -0.662 62.562 63.200 0.040 0.000 0.773 97 S HN 0.477 nan 8.310 nan 0.000 0.507 98 R N 0.920 121.528 120.500 0.180 0.000 2.323 98 R HA 0.164 4.504 4.340 0.000 0.000 0.198 98 R C 1.513 177.962 176.300 0.250 0.000 0.988 98 R CA 0.551 56.810 56.100 0.265 0.000 1.041 98 R CB -0.194 30.357 30.300 0.418 0.000 0.926 98 R HN 0.661 nan 8.270 nan 0.000 0.476 99 G N -0.239 108.614 108.800 0.088 0.000 2.192 99 G HA2 -0.220 3.740 3.960 0.000 0.000 0.193 99 G HA3 -0.220 3.740 3.960 0.000 0.000 0.193 99 G C -0.094 174.566 174.900 -0.399 0.000 0.999 99 G CA -0.719 44.211 45.100 -0.283 0.000 0.659 99 G HN 0.166 nan 8.290 nan 0.000 0.503 100 F N 2.521 122.533 119.950 0.105 0.000 2.404 100 F HA 0.468 4.995 4.527 0.000 0.000 0.359 100 F C 1.789 177.614 175.800 0.040 0.000 1.134 100 F CA 0.586 58.658 58.000 0.120 0.000 1.160 100 F CB 1.564 40.668 39.000 0.174 0.000 1.186 100 F HN 0.092 nan 8.300 nan 0.000 0.526 101 T N -2.340 112.282 114.554 0.114 0.000 3.037 101 T HA 0.197 4.547 4.350 0.000 0.000 0.251 101 T C 0.541 175.312 174.700 0.119 0.000 1.079 101 T CA -0.024 62.117 62.100 0.068 0.000 1.067 101 T CB 0.116 68.978 68.868 -0.010 0.000 0.948 101 T HN 0.305 nan 8.240 nan 0.000 0.496 102 S N 0.964 116.785 115.700 0.202 0.000 2.571 102 S HA 0.700 5.170 4.470 0.000 0.000 0.284 102 S C -0.829 173.954 174.600 0.305 0.000 1.128 102 S CA -0.770 57.587 58.200 0.262 0.000 0.970 102 S CB 2.150 65.560 63.200 0.349 0.000 1.039 102 S HN 0.602 nan 8.310 nan 0.000 0.485 103 V N 1.149 121.230 119.914 0.279 0.000 2.876 103 V HA 0.718 4.838 4.120 0.000 0.000 0.312 103 V C -0.630 175.628 176.094 0.274 0.000 1.085 103 V CA -1.172 61.263 62.300 0.226 0.000 0.945 103 V CB 1.854 33.748 31.823 0.118 0.000 1.017 103 V HN 0.842 nan 8.190 nan 0.000 0.428 104 R N 1.806 122.408 120.500 0.169 0.000 2.229 104 R HA 0.445 4.785 4.340 0.000 0.000 0.332 104 R C -0.989 175.306 176.300 -0.008 0.000 0.989 104 R CA -0.358 55.818 56.100 0.128 0.000 0.842 104 R CB 0.981 31.305 30.300 0.039 0.000 1.119 104 R HN 1.033 nan 8.270 nan 0.000 0.456 105 D N 2.768 123.159 120.400 -0.014 0.000 2.295 105 D HA 0.196 4.836 4.640 0.000 0.000 0.248 105 D C 0.589 176.761 176.300 -0.212 0.000 1.154 105 D CA -0.057 53.867 54.000 -0.128 0.000 0.857 105 D CB 1.583 42.355 40.800 -0.047 0.000 1.117 105 D HN 0.597 nan 8.370 nan 0.000 0.468 106 A N 3.235 125.765 122.820 -0.483 0.000 2.169 106 A HA 0.487 4.807 4.320 0.000 0.000 0.212 106 A C 0.965 178.467 177.584 -0.136 0.000 1.153 106 A CA 0.605 52.362 52.037 -0.468 0.000 0.756 106 A CB -0.078 18.302 19.000 -1.035 0.000 0.813 106 A HN 0.649 nan 8.150 nan 0.000 0.471 107 G N -4.190 104.590 108.800 -0.034 0.000 2.443 107 G HA2 0.556 4.516 3.960 0.000 0.000 0.303 107 G HA3 0.556 4.516 3.960 0.000 0.000 0.303 107 G C 0.345 175.365 174.900 0.201 0.000 1.613 107 G CA 0.514 45.709 45.100 0.158 0.000 0.879 107 G HN 1.566 nan 8.290 nan 0.000 0.632 108 G N 0.161 109.034 108.800 0.121 0.000 3.349 108 G HA2 0.279 4.239 3.960 0.000 0.000 0.202 108 G HA3 0.279 4.239 3.960 0.000 0.000 0.202 108 G C 1.110 176.053 174.900 0.073 0.000 1.588 108 G CA 1.136 46.295 45.100 0.099 0.000 1.198 108 G HN 2.461 nan 8.290 nan 0.000 0.588 109 A N 1.582 124.439 122.820 0.062 0.000 2.425 109 A HA 0.561 4.881 4.320 0.000 0.000 0.242 109 A C 0.519 178.136 177.584 0.054 0.000 1.077 109 A CA 1.343 53.406 52.037 0.044 0.000 0.781 109 A CB 0.122 19.136 19.000 0.023 0.000 1.020 109 A HN 1.242 nan 8.150 nan 0.000 0.494 110 D N -0.532 119.905 120.400 0.061 0.000 2.846 110 D HA 0.107 4.747 4.640 0.000 0.000 0.273 110 D C 0.494 176.875 176.300 0.135 0.000 1.145 110 D CA -0.551 53.514 54.000 0.108 0.000 1.091 110 D CB -0.285 40.591 40.800 0.127 0.000 1.364 110 D HN 0.511 nan 8.370 nan 0.000 0.613 111 W N 0.580 121.874 121.300 -0.010 0.000 2.467 111 W HA 0.020 4.680 4.660 0.000 0.000 0.275 111 W C 1.882 178.388 176.519 -0.021 0.000 1.239 111 W CA 1.674 59.008 57.345 -0.019 0.000 1.266 111 W CB -0.032 29.420 29.460 -0.014 0.000 1.112 111 W HN 0.265 nan 8.180 nan 0.000 0.576 112 S N 0.857 116.599 115.700 0.069 0.000 2.368 112 S HA -0.199 4.271 4.470 0.000 0.000 0.225 112 S C 1.864 176.357 174.600 -0.179 0.000 1.030 112 S CA 1.479 59.627 58.200 -0.087 0.000 0.999 112 S CB -0.711 62.513 63.200 0.040 0.000 0.844 112 S HN 0.278 nan 8.310 nan 0.000 0.459 113 L N 0.772 121.929 121.223 -0.110 0.000 2.156 113 L HA 0.021 4.361 4.340 0.000 0.000 0.208 113 L C 2.560 179.328 176.870 -0.171 0.000 1.095 113 L CA 0.893 55.665 54.840 -0.113 0.000 0.770 113 L CB -0.323 41.700 42.059 -0.059 0.000 0.914 113 L HN 0.378 nan 8.230 nan 0.000 0.439 114 M N -0.995 118.472 119.600 -0.222 0.000 2.159 114 M HA -0.223 4.257 4.480 0.000 0.000 0.263 114 M C 2.313 178.394 176.300 -0.366 0.000 1.063 114 M CA 1.577 56.712 55.300 -0.275 0.000 1.110 114 M CB 0.005 32.440 32.600 -0.275 0.000 1.374 114 M HN 0.249 nan 8.290 nan 0.000 0.411 115 Q N 0.100 119.579 119.800 -0.536 0.000 2.016 115 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 115 Q C 2.170 177.989 176.000 -0.302 0.000 0.978 115 Q CA 1.910 57.397 55.803 -0.527 0.000 0.833 115 Q CB -0.799 27.486 28.738 -0.755 0.000 0.895 115 Q HN 0.659 nan 8.270 nan 0.000 0.427 116 A N 0.880 123.553 122.820 -0.245 0.000 1.917 116 A HA -0.183 4.137 4.320 0.000 0.000 0.219 116 A C 2.270 179.777 177.584 -0.129 0.000 1.182 116 A CA 2.399 54.342 52.037 -0.156 0.000 0.633 116 A CB -0.884 18.043 19.000 -0.121 0.000 0.819 116 A HN 0.321 nan 8.150 nan 0.000 0.448 117 V N -3.266 116.566 119.914 -0.137 0.000 2.649 117 V HA -0.048 4.072 4.120 0.000 0.000 0.248 117 V C 1.857 177.884 176.094 -0.112 0.000 1.054 117 V CA 1.907 64.142 62.300 -0.109 0.000 1.073 117 V CB -0.638 31.127 31.823 -0.097 0.000 0.699 117 V HN 0.515 nan 8.190 nan 0.000 0.463 118 E N 1.370 121.482 120.200 -0.146 0.000 2.152 118 E HA -0.124 4.226 4.350 0.000 0.000 0.192 118 E C 2.416 178.952 176.600 -0.106 0.000 0.983 118 E CA 1.869 58.190 56.400 -0.132 0.000 0.818 118 E CB -0.132 29.470 29.700 -0.163 0.000 0.758 118 E HN 0.914 nan 8.360 nan 0.000 0.467 119 T N -2.866 111.619 114.554 -0.115 0.000 2.896 119 T HA 0.055 4.405 4.350 0.000 0.000 0.263 119 T C 1.596 176.256 174.700 -0.068 0.000 1.050 119 T CA 0.985 63.033 62.100 -0.087 0.000 1.140 119 T CB 0.134 68.947 68.868 -0.092 0.000 0.877 119 T HN 0.253 nan 8.240 nan 0.000 0.457 120 G N 0.513 109.270 108.800 -0.071 0.000 2.138 120 G HA2 -0.160 3.800 3.960 0.000 0.000 0.193 120 G HA3 -0.160 3.800 3.960 0.000 0.000 0.193 120 G C 0.438 175.307 174.900 -0.050 0.000 0.998 120 G CA 0.158 45.225 45.100 -0.055 0.000 0.668 120 G HN 0.452 nan 8.290 nan 0.000 0.516 121 L N -0.161 121.025 121.223 -0.060 0.000 2.217 121 L HA 0.422 4.762 4.340 0.000 0.000 0.211 121 L C 1.109 177.949 176.870 -0.049 0.000 1.107 121 L CA 1.434 56.242 54.840 -0.054 0.000 0.783 121 L CB 0.316 42.337 42.059 -0.063 0.000 0.919 121 L HN 0.220 nan 8.230 nan 0.000 0.442 122 V N -1.645 118.236 119.914 -0.055 0.000 2.789 122 V HA 0.330 4.450 4.120 0.000 0.000 0.311 122 V C -0.245 175.822 176.094 -0.045 0.000 1.073 122 V CA -0.805 61.466 62.300 -0.049 0.000 0.921 122 V CB 1.936 33.725 31.823 -0.055 0.000 1.009 122 V HN -0.061 nan 8.190 nan 0.000 0.426 123 S N 2.060 117.739 115.700 -0.034 0.000 2.489 123 S HA 0.816 5.286 4.470 0.000 0.000 0.277 123 S C 0.196 174.781 174.600 -0.024 0.000 1.230 123 S CA 0.486 58.670 58.200 -0.027 0.000 1.053 123 S CB 0.529 63.718 63.200 -0.018 0.000 0.955 123 S HN 1.348 nan 8.310 nan 0.000 0.488 124 G N 4.478 113.265 108.800 -0.020 0.000 2.322 124 G HA2 0.407 4.367 3.960 0.000 0.000 0.295 124 G HA3 0.407 4.367 3.960 0.000 0.000 0.295 124 G C -3.496 171.402 174.900 -0.002 0.000 1.369 124 G CA -0.824 44.270 45.100 -0.010 0.000 0.821 124 G HN 0.472 nan 8.290 nan 0.000 0.536 125 P HA 0.321 nan 4.420 nan 0.000 0.274 125 P C -0.334 176.964 177.300 -0.003 0.000 1.256 125 P CA -0.495 62.629 63.100 0.041 0.000 0.795 125 P CB 0.841 32.602 31.700 0.103 0.000 1.038 126 R N 1.099 121.595 120.500 -0.007 0.000 2.489 126 R HA 0.287 4.627 4.340 0.000 0.000 0.287 126 R C -0.433 175.799 176.300 -0.113 0.000 1.053 126 R CA 0.031 56.071 56.100 -0.100 0.000 1.036 126 R CB -0.565 29.666 30.300 -0.115 0.000 0.966 126 R HN 0.372 nan 8.270 nan 0.000 0.432 127 I N 5.239 125.683 120.570 -0.210 0.000 2.354 127 I HA 0.229 4.399 4.170 0.000 0.000 0.292 127 I C -0.744 175.207 176.117 -0.278 0.000 0.989 127 I CA -0.636 60.584 61.300 -0.133 0.000 1.188 127 I CB 1.280 39.227 38.000 -0.087 0.000 1.342 127 I HN 0.565 nan 8.210 nan 0.000 0.457 128 F N 7.669 127.623 119.950 0.007 0.000 2.291 128 F HA 0.356 4.883 4.527 0.000 0.000 0.368 128 F C -2.085 173.712 175.800 -0.005 0.000 1.085 128 F CA -2.368 55.640 58.000 0.014 0.000 1.165 128 F CB 0.560 39.576 39.000 0.027 0.000 1.429 128 F HN 0.205 nan 8.300 nan 0.000 0.503 129 P HA 0.172 nan 4.420 nan 0.000 0.279 129 P C -0.026 177.306 177.300 0.054 0.000 1.239 129 P CA -0.284 62.858 63.100 0.070 0.000 0.789 129 P CB 1.828 33.570 31.700 0.070 0.000 0.933 130 S N 1.004 116.717 115.700 0.020 0.000 2.535 130 S HA 0.295 4.765 4.470 0.000 0.000 0.214 130 S C 1.270 175.880 174.600 0.016 0.000 0.980 130 S CA 0.421 58.618 58.200 -0.005 0.000 0.907 130 S CB -0.403 62.779 63.200 -0.031 0.000 0.790 130 S HN 0.885 nan 8.310 nan 0.000 0.510 131 G N 2.490 111.314 108.800 0.040 0.000 2.536 131 G HA2 -0.238 3.722 3.960 0.000 0.000 0.277 131 G HA3 -0.238 3.722 3.960 0.000 0.000 0.277 131 G C -0.611 174.322 174.900 0.055 0.000 1.155 131 G CA -0.131 45.001 45.100 0.053 0.000 0.960 131 G HN 0.324 nan 8.290 nan 0.000 0.544 132 K N 1.469 121.899 120.400 0.051 0.000 2.138 132 K HA 0.734 5.054 4.320 0.000 0.000 0.263 132 K C 0.525 177.159 176.600 0.056 0.000 0.965 132 K CA 0.116 56.438 56.287 0.058 0.000 0.868 132 K CB 1.610 34.141 32.500 0.051 0.000 1.083 132 K HN 1.112 nan 8.250 nan 0.000 0.443 133 A N 3.324 126.189 122.820 0.074 0.000 2.407 133 A HA 0.336 4.656 4.320 0.000 0.000 0.248 133 A C 0.127 177.758 177.584 0.078 0.000 1.082 133 A CA -0.388 51.697 52.037 0.081 0.000 0.785 133 A CB 0.028 19.091 19.000 0.106 0.000 1.020 133 A HN 0.637 nan 8.150 nan 0.000 0.489 134 L N 1.669 122.950 121.223 0.097 0.000 2.350 134 L HA 0.572 4.912 4.340 0.000 0.000 0.275 134 L C 0.608 177.623 176.870 0.241 0.000 1.099 134 L CA -0.144 54.782 54.840 0.143 0.000 0.808 134 L CB 1.388 43.508 42.059 0.100 0.000 1.149 134 L HN 0.715 nan 8.230 nan 0.000 0.442 135 S N 1.121 116.951 115.700 0.217 0.000 2.536 135 S HA 0.436 4.906 4.470 0.000 0.000 0.271 135 S C -0.888 173.652 174.600 -0.099 0.000 1.134 135 S CA -0.861 57.373 58.200 0.056 0.000 0.897 135 S CB 1.855 65.013 63.200 -0.069 0.000 1.094 135 S HN 0.629 nan 8.310 nan 0.000 0.473 136 Q N 1.527 121.022 119.800 -0.508 0.000 2.316 136 Q HA 0.531 4.871 4.340 0.000 0.000 0.215 136 Q C -0.265 175.597 176.000 -0.230 0.000 1.020 136 Q CA -0.661 54.874 55.803 -0.447 0.000 0.970 136 Q CB -0.261 28.061 28.738 -0.693 0.000 1.187 136 Q HN 0.480 nan 8.270 nan 0.000 0.546 137 T N 0.985 115.446 114.554 -0.156 0.000 2.867 137 T HA 0.338 4.688 4.350 0.000 0.000 0.297 137 T C 1.027 175.656 174.700 -0.118 0.000 0.989 137 T CA 0.890 62.923 62.100 -0.111 0.000 1.159 137 T CB -0.112 68.713 68.868 -0.073 0.000 0.928 137 T HN 0.950 nan 8.240 nan 0.000 0.538 138 G N 2.767 111.500 108.800 -0.112 0.000 2.153 138 G HA2 -0.174 3.786 3.960 0.000 0.000 0.252 138 G HA3 -0.174 3.786 3.960 0.000 0.000 0.252 138 G C 0.545 175.375 174.900 -0.117 0.000 0.994 138 G CA -0.018 45.021 45.100 -0.101 0.000 0.698 138 G HN 1.117 nan 8.290 nan 0.000 0.521 139 G N -1.668 107.038 108.800 -0.157 0.000 2.508 139 G HA2 0.435 4.395 3.960 0.000 0.000 0.278 139 G HA3 0.435 4.395 3.960 0.000 0.000 0.278 139 G C 0.658 175.476 174.900 -0.137 0.000 1.389 139 G CA 0.533 45.545 45.100 -0.147 0.000 1.050 139 G HN 0.519 nan 8.290 nan 0.000 0.522 140 H N -0.945 118.001 119.070 -0.208 0.000 2.495 140 H HA 0.044 4.600 4.556 0.000 0.000 0.287 140 H C 2.315 177.374 175.328 -0.448 0.000 1.033 140 H CA 1.608 57.504 56.048 -0.253 0.000 1.307 140 H CB -0.147 29.489 29.762 -0.210 0.000 1.401 140 H HN 0.410 nan 8.280 nan 0.000 0.555 141 G N -0.813 107.686 108.800 -0.501 0.000 3.042 141 G HA2 -0.042 3.918 3.960 0.000 0.000 0.212 141 G HA3 -0.042 3.918 3.960 0.000 0.000 0.212 141 G C -0.103 174.314 174.900 -0.804 0.000 1.166 141 G CA -0.139 44.561 45.100 -0.666 0.000 0.767 141 G HN 0.269 nan 8.290 nan 0.000 0.546 142 D N 0.243 120.238 120.400 -0.675 0.000 2.316 142 D HA 0.265 4.905 4.640 0.000 0.000 0.245 142 D C -0.283 175.665 176.300 -0.586 0.000 1.171 142 D CA -0.541 53.181 54.000 -0.463 0.000 0.856 142 D CB 0.754 41.406 40.800 -0.247 0.000 1.090 142 D HN 0.059 nan 8.370 nan 0.000 0.476 143 F N 2.103 122.016 119.950 -0.062 0.000 2.654 143 F HA 0.257 4.784 4.527 0.000 0.000 0.303 143 F C 1.253 177.031 175.800 -0.037 0.000 1.099 143 F CA -0.462 57.506 58.000 -0.053 0.000 1.270 143 F CB 0.207 39.169 39.000 -0.064 0.000 1.024 143 F HN -0.034 nan 8.300 nan 0.000 0.548 144 R N 2.215 122.755 120.500 0.066 0.000 2.594 144 R HA 0.225 4.565 4.340 0.000 0.000 0.272 144 R C -2.012 174.306 176.300 0.029 0.000 1.074 144 R CA -1.422 54.701 56.100 0.039 0.000 1.105 144 R CB -0.059 30.244 30.300 0.005 0.000 1.008 144 R HN -0.021 nan 8.270 nan 0.000 0.472 145 P HA 0.077 nan 4.420 nan 0.000 0.277 145 P C -0.260 177.045 177.300 0.009 0.000 1.276 145 P CA -0.367 62.747 63.100 0.023 0.000 0.788 145 P CB 0.655 32.368 31.700 0.021 0.000 1.114 146 R N -0.533 119.972 120.500 0.008 0.000 2.307 146 R HA 0.021 4.361 4.340 0.000 0.000 0.199 146 R C 2.079 178.379 176.300 0.000 0.000 1.000 146 R CA 1.149 57.249 56.100 0.001 0.000 1.023 146 R CB -1.015 29.286 30.300 0.002 0.000 0.908 146 R HN 0.669 nan 8.270 nan 0.000 0.473 147 G N -0.013 108.789 108.800 0.003 0.000 2.666 147 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 147 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 147 G C 0.132 175.032 174.900 -0.001 0.000 1.294 147 G CA 0.953 46.054 45.100 0.002 0.000 0.811 147 G HN 0.323 nan 8.290 nan 0.000 0.594 148 D N -2.019 118.380 120.400 -0.001 0.000 2.677 148 D HA 0.494 5.135 4.640 0.000 0.000 0.298 148 D C -1.101 175.196 176.300 -0.005 0.000 1.250 148 D CA -0.482 53.516 54.000 -0.003 0.000 0.888 148 D CB 1.589 42.388 40.800 -0.002 0.000 1.397 148 D HN 0.002 nan 8.370 nan 0.000 0.461 149 L N 1.802 123.020 121.223 -0.008 0.000 2.377 149 L HA 0.483 4.823 4.340 0.000 0.000 0.270 149 L C -0.620 176.244 176.870 -0.010 0.000 0.991 149 L CA -0.417 54.416 54.840 -0.011 0.000 0.851 149 L CB 1.519 43.568 42.059 -0.017 0.000 1.218 149 L HN 0.102 nan 8.230 nan 0.000 0.420 150 L N 2.064 123.282 121.223 -0.009 0.000 2.313 150 L HA 0.412 4.752 4.340 0.000 0.000 0.268 150 L C 0.304 177.165 176.870 -0.015 0.000 1.010 150 L CA -0.771 54.064 54.840 -0.009 0.000 0.814 150 L CB 2.137 44.194 42.059 -0.004 0.000 1.304 150 L HN 0.512 nan 8.230 nan 0.000 0.441 151 E N 2.852 123.042 120.200 -0.016 0.000 2.383 151 E HA 0.055 4.405 4.350 0.000 0.000 0.257 151 E C -2.048 174.528 176.600 -0.040 0.000 1.079 151 E CA -1.176 55.209 56.400 -0.027 0.000 0.934 151 E CB 0.090 29.777 29.700 -0.020 0.000 0.978 151 E HN 0.211 nan 8.360 nan 0.000 0.462 152 P HA 0.073 nan 4.420 nan 0.000 0.219 152 P C 0.557 177.764 177.300 -0.154 0.000 1.847 152 P CA -0.320 62.733 63.100 -0.079 0.000 1.059 152 P CB -0.371 31.294 31.700 -0.058 0.000 1.900 153 C N -0.051 119.138 119.300 -0.184 0.000 2.449 153 C HA -0.074 4.386 4.460 0.000 0.000 0.283 153 C C 2.285 176.781 174.990 -0.823 0.000 1.453 153 C CA 0.684 59.485 59.018 -0.362 0.000 1.779 153 C CB -1.837 25.791 27.740 -0.186 0.000 1.779 153 C HN 0.442 nan 8.230 nan 0.000 0.546 154 S N 0.158 115.579 115.700 -0.466 0.000 2.447 154 S HA -0.167 4.303 4.470 0.000 0.000 0.233 154 S C 1.705 176.113 174.600 -0.320 0.000 1.006 154 S CA 1.406 59.386 58.200 -0.366 0.000 0.957 154 S CB -1.407 61.753 63.200 -0.067 0.000 0.773 154 S HN 0.786 nan 8.310 nan 0.000 0.507 155 C N 1.275 120.412 119.300 -0.271 0.000 2.385 155 C HA -0.193 4.267 4.460 0.000 0.000 0.275 155 C C 3.029 177.958 174.990 -0.102 0.000 1.199 155 C CA 0.959 59.894 59.018 -0.139 0.000 1.782 155 C CB -1.806 25.867 27.740 -0.111 0.000 2.068 155 C HN 0.760 nan 8.230 nan 0.000 0.471 156 C N -0.682 118.508 119.300 -0.183 0.000 2.505 156 C HA 0.037 4.497 4.460 0.000 0.000 0.279 156 C C 2.404 177.499 174.990 0.175 0.000 1.316 156 C CA 0.462 59.481 59.018 0.002 0.000 1.720 156 C CB -1.472 26.303 27.740 0.059 0.000 2.050 156 C HN 0.618 nan 8.230 nan 0.000 0.493 157 F N 1.003 120.967 119.950 0.022 0.000 2.186 157 F HA -0.032 4.495 4.527 0.000 0.000 0.299 157 F C 1.326 177.138 175.800 0.019 0.000 1.090 157 F CA 0.166 58.178 58.000 0.019 0.000 1.307 157 F CB -0.290 38.719 39.000 0.015 0.000 1.019 157 F HN 0.071 nan 8.300 nan 0.000 0.489 158 R N 1.890 122.496 120.500 0.177 0.000 2.404 158 R HA 0.006 4.346 4.340 0.000 0.000 0.315 158 R C 1.111 177.460 176.300 0.081 0.000 1.032 158 R CA 0.412 56.571 56.100 0.100 0.000 0.992 158 R CB -0.401 29.931 30.300 0.053 0.000 0.959 158 R HN 0.221 nan 8.270 nan 0.000 0.428 159 T N -1.272 113.324 114.554 0.070 0.000 3.085 159 T HA -0.021 4.329 4.350 0.000 0.000 0.263 159 T C 1.557 176.280 174.700 0.040 0.000 1.127 159 T CA 0.818 62.953 62.100 0.058 0.000 1.103 159 T CB 0.229 69.127 68.868 0.050 0.000 0.921 159 T HN 0.583 nan 8.240 nan 0.000 0.510 160 G N 0.656 109.471 108.800 0.025 0.000 3.042 160 G HA2 0.503 4.463 3.960 0.000 0.000 0.212 160 G HA3 0.503 4.463 3.960 0.000 0.000 0.212 160 G C 0.522 175.417 174.900 -0.008 0.000 1.166 160 G CA -0.052 45.050 45.100 0.003 0.000 0.767 160 G HN 0.770 nan 8.290 nan 0.000 0.546 161 A N 0.979 123.809 122.820 0.016 0.000 2.404 161 A HA 0.514 4.834 4.320 0.000 0.000 0.273 161 A C 1.332 178.945 177.584 0.049 0.000 1.144 161 A CA -0.454 51.600 52.037 0.027 0.000 0.806 161 A CB 0.364 19.390 19.000 0.043 0.000 1.080 161 A HN 0.079 nan 8.150 nan 0.000 0.509 162 I N 1.479 122.080 120.570 0.051 0.000 2.252 162 I HA -0.085 4.085 4.170 0.000 0.000 0.245 162 I C 1.547 177.731 176.117 0.112 0.000 1.102 162 I CA 1.892 63.238 61.300 0.077 0.000 1.385 162 I CB -1.358 36.645 38.000 0.004 0.000 1.064 162 I HN 0.666 nan 8.210 nan 0.000 0.414 163 A N 1.009 123.905 122.820 0.127 0.000 2.387 163 A HA 0.759 5.079 4.320 0.000 0.000 0.298 163 A C 0.012 177.628 177.584 0.054 0.000 1.165 163 A CA -0.616 51.468 52.037 0.079 0.000 0.814 163 A CB 1.518 20.534 19.000 0.027 0.000 1.357 163 A HN 0.312 nan 8.150 nan 0.000 0.443 164 R N -0.672 119.846 120.500 0.031 0.000 2.807 164 R HA 0.751 5.091 4.340 0.000 0.000 0.276 164 R C -1.865 174.436 176.300 0.002 0.000 0.979 164 R CA -0.727 55.377 56.100 0.007 0.000 0.928 164 R CB 1.565 31.869 30.300 0.005 0.000 1.191 164 R HN 0.304 nan 8.270 nan 0.000 0.471 165 V N 2.403 122.306 119.914 -0.019 0.000 2.347 165 V HA 0.471 4.591 4.120 0.000 0.000 0.280 165 V C -0.187 175.911 176.094 0.007 0.000 1.021 165 V CA -0.570 61.717 62.300 -0.021 0.000 0.847 165 V CB 1.121 32.911 31.823 -0.056 0.000 0.990 165 V HN 0.653 nan 8.190 nan 0.000 0.444 166 V N 1.471 121.420 119.914 0.058 0.000 2.841 166 V HA 0.816 4.936 4.120 0.000 0.000 0.310 166 V C -1.272 174.907 176.094 0.141 0.000 1.090 166 V CA -0.825 61.526 62.300 0.084 0.000 0.930 166 V CB 2.232 34.109 31.823 0.091 0.000 1.014 166 V HN 0.766 nan 8.190 nan 0.000 0.425 167 D N 1.197 121.656 120.400 0.099 0.000 2.671 167 D HA 0.853 5.493 4.640 0.000 0.000 0.232 167 D C 0.042 176.398 176.300 0.092 0.000 1.114 167 D CA 0.525 54.595 54.000 0.116 0.000 0.858 167 D CB 1.905 42.732 40.800 0.044 0.000 1.544 167 D HN 1.486 nan 8.370 nan 0.000 0.471 168 G N -0.773 108.089 108.800 0.104 0.000 2.674 168 G HA2 -0.106 3.854 3.960 0.000 0.000 0.686 168 G HA3 -0.106 3.854 3.960 0.000 0.000 0.686 168 G C 0.385 175.316 174.900 0.051 0.000 1.195 168 G CA -0.571 44.567 45.100 0.063 0.000 0.776 168 G HN 0.407 nan 8.290 nan 0.000 0.654 169 V N 1.143 121.076 119.914 0.033 0.000 2.358 169 V HA -0.071 4.049 4.120 0.000 0.000 0.246 169 V C 2.521 178.618 176.094 0.003 0.000 1.047 169 V CA 2.560 64.868 62.300 0.012 0.000 1.035 169 V CB -0.263 31.567 31.823 0.011 0.000 0.658 169 V HN 0.735 nan 8.190 nan 0.000 0.452 170 E N 0.371 120.577 120.200 0.009 0.000 2.358 170 E HA -0.012 4.338 4.350 0.000 0.000 0.195 170 E C 2.168 178.772 176.600 0.007 0.000 1.010 170 E CA 0.952 57.355 56.400 0.005 0.000 0.856 170 E CB -0.339 29.364 29.700 0.007 0.000 0.795 170 E HN 0.601 nan 8.360 nan 0.000 0.504 171 G N 0.974 109.783 108.800 0.015 0.000 2.396 171 G HA2 -0.146 3.814 3.960 0.000 0.000 0.214 171 G HA3 -0.146 3.814 3.960 0.000 0.000 0.214 171 G C 1.725 176.634 174.900 0.015 0.000 1.166 171 G CA 0.942 46.053 45.100 0.020 0.000 0.793 171 G HN 0.298 nan 8.290 nan 0.000 0.533 172 V N -1.410 118.508 119.914 0.008 0.000 2.719 172 V HA 0.149 4.269 4.120 0.000 0.000 0.252 172 V C 2.412 178.482 176.094 -0.039 0.000 1.065 172 V CA 1.683 63.968 62.300 -0.025 0.000 1.086 172 V CB -0.465 31.297 31.823 -0.102 0.000 0.700 172 V HN 0.272 nan 8.190 nan 0.000 0.467 173 R N -0.184 120.298 120.500 -0.029 0.000 2.075 173 R HA -0.062 4.278 4.340 0.000 0.000 0.232 173 R C 2.282 178.572 176.300 -0.018 0.000 1.126 173 R CA 1.865 57.949 56.100 -0.027 0.000 0.963 173 R CB -0.351 29.938 30.300 -0.018 0.000 0.858 173 R HN 0.562 nan 8.270 nan 0.000 0.435 174 L N 0.687 121.905 121.223 -0.009 0.000 2.056 174 L HA -0.039 4.301 4.340 0.000 0.000 0.207 174 L C 2.213 179.080 176.870 -0.005 0.000 1.078 174 L CA 2.104 56.941 54.840 -0.005 0.000 0.749 174 L CB -0.710 41.350 42.059 0.002 0.000 0.901 174 L HN 0.164 nan 8.230 nan 0.000 0.433 175 A N -0.917 121.901 122.820 -0.004 0.000 1.908 175 A HA -0.180 4.140 4.320 0.000 0.000 0.218 175 A C 2.284 179.862 177.584 -0.010 0.000 1.181 175 A CA 2.219 54.255 52.037 -0.002 0.000 0.627 175 A CB -1.203 17.799 19.000 0.004 0.000 0.818 175 A HN 0.329 nan 8.150 nan 0.000 0.445 176 V N -0.170 119.731 119.914 -0.022 0.000 2.295 176 V HA -0.268 3.852 4.120 0.000 0.000 0.246 176 V C 2.642 178.722 176.094 -0.022 0.000 1.049 176 V CA 2.269 64.552 62.300 -0.028 0.000 1.024 176 V CB -0.800 30.999 31.823 -0.040 0.000 0.648 176 V HN 0.540 nan 8.190 nan 0.000 0.447 177 R N -0.213 120.275 120.500 -0.019 0.000 2.091 177 R HA -0.202 4.138 4.340 0.000 0.000 0.238 177 R C 2.316 178.604 176.300 -0.020 0.000 1.136 177 R CA 1.814 57.903 56.100 -0.019 0.000 0.959 177 R CB -0.316 29.975 30.300 -0.016 0.000 0.856 177 R HN 0.609 nan 8.270 nan 0.000 0.437 178 E N 0.226 120.418 120.200 -0.012 0.000 2.058 178 E HA -0.186 4.164 4.350 0.000 0.000 0.194 178 E C 1.975 178.568 176.600 -0.012 0.000 0.997 178 E CA 1.060 57.455 56.400 -0.008 0.000 0.801 178 E CB 0.103 29.807 29.700 0.007 0.000 0.746 178 E HN 0.266 nan 8.360 nan 0.000 0.450 179 E N 0.294 120.489 120.200 -0.008 0.000 2.107 179 E HA -0.127 4.223 4.350 0.000 0.000 0.191 179 E C 2.139 178.729 176.600 -0.016 0.000 0.982 179 E CA 0.596 56.993 56.400 -0.004 0.000 0.809 179 E CB -0.053 29.647 29.700 0.000 0.000 0.756 179 E HN 0.310 nan 8.360 nan 0.000 0.459 180 I N 1.444 121.999 120.570 -0.025 0.000 2.394 180 I HA -0.291 3.879 4.170 0.000 0.000 0.251 180 I C 2.586 178.669 176.117 -0.057 0.000 1.136 180 I CA 1.150 62.432 61.300 -0.031 0.000 1.425 180 I CB 0.058 38.042 38.000 -0.026 0.000 1.079 180 I HN 0.058 nan 8.210 nan 0.000 0.425 181 Q N 0.721 120.481 119.800 -0.066 0.000 2.245 181 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 181 Q C 1.873 177.778 176.000 -0.158 0.000 0.955 181 Q CA 1.415 57.156 55.803 -0.104 0.000 0.870 181 Q CB -0.350 28.339 28.738 -0.081 0.000 0.945 181 Q HN 0.244 nan 8.270 nan 0.000 0.461 182 K N -0.337 119.997 120.400 -0.109 0.000 2.283 182 K HA 0.047 4.367 4.320 0.000 0.000 0.202 182 K C 0.485 176.995 176.600 -0.150 0.000 1.048 182 K CA 0.882 57.103 56.287 -0.109 0.000 0.948 182 K CB -0.009 32.481 32.500 -0.017 0.000 0.742 182 K HN 0.520 nan 8.250 nan 0.000 0.458 183 G N -0.021 108.710 108.800 -0.116 0.000 2.155 183 G HA2 -0.114 3.846 3.960 0.000 0.000 0.130 183 G HA3 -0.114 3.846 3.960 0.000 0.000 0.130 183 G C -0.098 174.864 174.900 0.104 0.000 1.027 183 G CA -0.222 44.836 45.100 -0.070 0.000 0.705 183 G HN 0.371 nan 8.290 nan 0.000 0.496 184 A N 0.377 123.228 122.820 0.053 0.000 2.462 184 A HA 0.666 4.986 4.320 0.000 0.000 0.243 184 A C 1.625 179.240 177.584 0.052 0.000 1.076 184 A CA 1.385 53.455 52.037 0.054 0.000 0.773 184 A CB 0.378 19.387 19.000 0.016 0.000 1.010 184 A HN 1.372 nan 8.150 nan 0.000 0.493 185 T N -0.978 113.617 114.554 0.068 0.000 3.044 185 T HA 0.164 4.514 4.350 0.000 0.000 0.255 185 T C 0.608 175.301 174.700 -0.011 0.000 1.073 185 T CA 0.811 62.965 62.100 0.088 0.000 1.125 185 T CB -0.076 68.920 68.868 0.214 0.000 0.908 185 T HN 0.880 nan 8.240 nan 0.000 0.480 186 Q N 0.057 119.791 119.800 -0.110 0.000 2.553 186 Q HA 0.556 4.896 4.340 0.000 0.000 0.293 186 Q C -1.394 174.470 176.000 -0.228 0.000 1.038 186 Q CA -1.093 54.503 55.803 -0.345 0.000 0.777 186 Q CB 1.436 29.710 28.738 -0.773 0.000 1.487 186 Q HN 0.150 nan 8.270 nan 0.000 0.426 190 M N 3.062 122.845 119.600 0.306 0.000 2.055 190 M HA 0.491 4.971 4.480 0.000 0.000 0.347 190 M C 0.485 176.976 176.300 0.320 0.000 1.123 190 M CA -0.338 55.151 55.300 0.316 0.000 1.035 190 M CB 0.701 33.435 32.600 0.223 0.000 1.484 190 M HN 0.896 nan 8.290 nan 0.000 0.428 191 A N 2.412 125.396 122.820 0.273 0.000 2.308 191 A HA 0.380 4.700 4.320 0.000 0.000 0.217 191 A C 0.821 178.482 177.584 0.128 0.000 1.216 191 A CA 0.484 52.640 52.037 0.198 0.000 0.864 191 A CB 0.214 19.296 19.000 0.136 0.000 0.902 191 A HN 0.800 nan 8.150 nan 0.000 0.499 192 S N -2.352 113.438 115.700 0.150 0.000 2.672 192 S HA 0.646 5.117 4.470 0.000 0.000 0.271 192 S C 0.277 174.969 174.600 0.153 0.000 1.171 192 S CA -0.111 58.147 58.200 0.096 0.000 0.817 192 S CB 0.430 63.639 63.200 0.015 0.000 1.150 192 S HN 0.933 nan 8.310 nan 0.000 0.478 193 G N -0.815 108.048 108.800 0.105 0.000 2.616 193 G HA2 0.631 4.591 3.960 0.000 0.000 0.268 193 G HA3 0.631 4.591 3.960 0.000 0.000 0.268 193 G C 0.308 175.280 174.900 0.120 0.000 1.213 193 G CA -0.207 44.943 45.100 0.083 0.000 0.926 193 G HN 1.351 nan 8.290 nan 0.000 0.523 194 G N -2.502 106.260 108.800 -0.063 0.000 2.870 194 G HA2 0.442 4.402 3.960 0.000 0.000 0.299 194 G HA3 0.442 4.402 3.960 0.000 0.000 0.299 194 G C 0.284 175.231 174.900 0.079 0.000 1.324 194 G CA 0.320 45.365 45.100 -0.091 0.000 0.808 194 G HN 0.619 nan 8.290 nan 0.000 0.535 195 V N 0.566 120.597 119.914 0.196 0.000 2.374 195 V HA 0.146 4.266 4.120 0.000 0.000 0.241 195 V C 3.048 179.268 176.094 0.211 0.000 1.034 195 V CA 2.310 64.716 62.300 0.176 0.000 1.037 195 V CB -0.287 31.665 31.823 0.215 0.000 0.682 195 V HN 0.842 nan 8.190 nan 0.000 0.463 196 A N 0.519 123.524 122.820 0.308 0.000 2.067 196 A HA 0.037 4.357 4.320 0.000 0.000 0.217 196 A C 1.506 179.257 177.584 0.277 0.000 1.156 196 A CA 0.877 53.059 52.037 0.241 0.000 0.683 196 A CB -0.400 18.716 19.000 0.195 0.000 0.808 196 A HN 0.610 nan 8.150 nan 0.000 0.455 197 S N -0.166 115.721 115.700 0.312 0.000 2.565 197 S HA 0.405 4.875 4.470 0.000 0.000 0.274 197 S C -1.562 173.121 174.600 0.138 0.000 1.309 197 S CA -1.013 57.306 58.200 0.198 0.000 1.043 197 S CB 1.307 64.520 63.200 0.023 0.000 0.939 197 S HN 0.182 nan 8.310 nan 0.000 0.504 198 P HA -0.084 nan 4.420 nan 0.000 0.212 198 P C 1.641 178.962 177.300 0.035 0.000 1.180 198 P CA 1.851 64.992 63.100 0.067 0.000 0.902 198 P CB -0.769 30.970 31.700 0.064 0.000 0.778 199 T N -2.609 111.951 114.554 0.011 0.000 3.113 199 T HA -0.063 4.287 4.350 0.000 0.000 0.263 199 T C 0.221 174.919 174.700 -0.003 0.000 1.143 199 T CA 0.288 62.386 62.100 -0.003 0.000 1.090 199 T CB -1.312 67.543 68.868 -0.021 0.000 0.922 199 T HN 0.295 nan 8.240 nan 0.000 0.521 200 D N 0.467 120.873 120.400 0.010 0.000 2.278 200 D HA 0.562 5.202 4.640 0.000 0.000 0.245 200 D C -3.189 173.121 176.300 0.017 0.000 1.052 200 D CA -2.552 51.455 54.000 0.011 0.000 0.834 200 D CB 1.429 42.240 40.800 0.018 0.000 1.194 200 D HN 0.012 nan 8.370 nan 0.000 0.481 201 P HA 0.166 nan 4.420 nan 0.000 0.274 201 P C 0.752 178.051 177.300 -0.001 0.000 1.237 201 P CA -0.616 62.480 63.100 -0.007 0.000 0.793 201 P CB 0.733 32.424 31.700 -0.014 0.000 0.977 202 I N -0.743 119.813 120.570 -0.024 0.000 2.761 202 I HA -0.021 4.149 4.170 0.000 0.000 0.261 202 I C 1.693 177.814 176.117 0.006 0.000 1.198 202 I CA 1.232 62.527 61.300 -0.009 0.000 1.482 202 I CB -0.753 37.151 38.000 -0.160 0.000 1.100 202 I HN 0.170 nan 8.210 nan 0.000 0.445 203 A N 2.433 125.240 122.820 -0.021 0.000 1.969 203 A HA -0.086 4.234 4.320 0.000 0.000 0.218 203 A C 1.307 178.892 177.584 0.001 0.000 1.169 203 A CA 1.255 53.282 52.037 -0.018 0.000 0.635 203 A CB -0.999 17.984 19.000 -0.029 0.000 0.810 203 A HN 0.767 nan 8.150 nan 0.000 0.445 204 N N 0.228 118.931 118.700 0.005 0.000 2.476 204 N HA 0.279 5.019 4.740 0.000 0.000 0.275 204 N C -0.345 175.176 175.510 0.019 0.000 1.190 204 N CA 0.368 53.422 53.050 0.007 0.000 0.977 204 N CB 0.697 39.184 38.487 -0.001 0.000 1.200 204 N HN 0.200 nan 8.380 nan 0.000 0.515 205 T N -2.218 112.346 114.554 0.017 0.000 2.929 205 T HA 0.354 4.704 4.350 0.000 0.000 0.284 205 T C -0.267 174.444 174.700 0.019 0.000 1.014 205 T CA -0.749 61.367 62.100 0.027 0.000 1.051 205 T CB 1.627 70.513 68.868 0.030 0.000 1.028 205 T HN 0.574 nan 8.240 nan 0.000 0.485 206 Q N 0.507 120.328 119.800 0.034 0.000 2.387 206 Q HA 0.538 4.878 4.340 0.000 0.000 0.273 206 Q C -1.468 174.573 176.000 0.069 0.000 1.089 206 Q CA -1.027 54.764 55.803 -0.021 0.000 0.824 206 Q CB 2.042 30.738 28.738 -0.069 0.000 1.367 206 Q HN 0.828 nan 8.270 nan 0.000 0.443 207 Y N -0.556 119.757 120.300 0.023 0.000 2.535 207 Y HA -0.291 4.259 4.550 -0.000 0.000 0.023 207 Y C 0.170 176.079 175.900 0.014 0.000 1.731 207 Y CA 0.195 58.306 58.100 0.018 0.000 1.399 207 Y CB -0.391 38.082 38.460 0.023 0.000 2.046 207 Y HN 0.749 nan 8.280 nan 0.000 0.258 208 S N 2.022 117.853 115.700 0.218 0.000 2.593 208 S HA 0.179 4.649 4.470 0.000 0.000 0.269 208 S C 0.876 175.533 174.600 0.095 0.000 1.334 208 S CA -0.198 58.073 58.200 0.118 0.000 1.015 208 S CB 1.565 64.817 63.200 0.087 0.000 0.912 208 S HN 0.697 nan 8.310 nan 0.000 0.541 209 E N 0.966 121.201 120.200 0.058 0.000 2.118 209 E HA -0.197 4.153 4.350 0.000 0.000 0.195 209 E C 1.057 177.671 176.600 0.023 0.000 0.992 209 E CA 1.617 58.038 56.400 0.036 0.000 0.804 209 E CB -0.281 29.435 29.700 0.026 0.000 0.741 209 E HN 0.704 nan 8.360 nan 0.000 0.458 210 D N 0.676 121.092 120.400 0.027 0.000 2.144 210 D HA -0.132 4.508 4.640 0.000 0.000 0.199 210 D C 1.720 178.023 176.300 0.005 0.000 0.984 210 D CA 1.000 55.011 54.000 0.017 0.000 0.834 210 D CB -0.095 40.719 40.800 0.023 0.000 0.955 210 D HN 0.258 nan 8.370 nan 0.000 0.465 211 E N -0.197 120.011 120.200 0.014 0.000 2.046 211 E HA -0.027 4.323 4.350 0.000 0.000 0.190 211 E C 2.266 178.791 176.600 -0.125 0.000 0.982 211 E CA 0.388 56.765 56.400 -0.039 0.000 0.800 211 E CB 0.072 29.792 29.700 0.035 0.000 0.756 211 E HN 0.283 nan 8.360 nan 0.000 0.449 212 I N 0.782 121.299 120.570 -0.088 0.000 2.252 212 I HA -0.249 3.921 4.170 0.000 0.000 0.245 212 I C 2.455 178.535 176.117 -0.062 0.000 1.102 212 I CA 1.016 62.257 61.300 -0.099 0.000 1.385 212 I CB -0.325 37.658 38.000 -0.028 0.000 1.064 212 I HN 0.027 nan 8.210 nan 0.000 0.414 213 R N 0.909 121.390 120.500 -0.032 0.000 2.096 213 R HA -0.140 4.200 4.340 0.000 0.000 0.235 213 R C 2.479 178.764 176.300 -0.025 0.000 1.127 213 R CA 1.486 57.575 56.100 -0.018 0.000 0.968 213 R CB -0.396 29.901 30.300 -0.004 0.000 0.861 213 R HN 0.391 nan 8.270 nan 0.000 0.440 214 A N 1.112 123.909 122.820 -0.038 0.000 1.898 214 A HA -0.139 4.181 4.320 0.000 0.000 0.216 214 A C 2.119 179.671 177.584 -0.053 0.000 1.181 214 A CA 1.166 53.179 52.037 -0.040 0.000 0.620 214 A CB -0.389 18.586 19.000 -0.042 0.000 0.819 214 A HN 0.161 nan 8.150 nan 0.000 0.442 215 I N -0.617 119.900 120.570 -0.087 0.000 2.142 215 I HA -0.211 3.959 4.170 0.000 0.000 0.240 215 I C 2.380 178.465 176.117 -0.054 0.000 1.078 215 I CA 1.150 62.392 61.300 -0.096 0.000 1.343 215 I CB -0.353 37.548 38.000 -0.166 0.000 1.046 215 I HN 0.145 nan 8.210 nan 0.000 0.405 216 V N 0.794 120.686 119.914 -0.037 0.000 2.332 216 V HA -0.333 3.787 4.120 0.000 0.000 0.248 216 V C 2.063 178.162 176.094 0.007 0.000 1.055 216 V CA 2.136 64.435 62.300 -0.002 0.000 1.038 216 V CB -0.681 31.149 31.823 0.011 0.000 0.651 216 V HN 0.412 nan 8.190 nan 0.000 0.450 217 D N -0.449 119.951 120.400 -0.001 0.000 2.117 217 D HA -0.132 4.508 4.640 0.000 0.000 0.197 217 D C 2.318 178.620 176.300 0.003 0.000 0.987 217 D CA 1.013 55.016 54.000 0.004 0.000 0.829 217 D CB -0.167 40.633 40.800 0.000 0.000 0.961 217 D HN 0.422 nan 8.370 nan 0.000 0.460 218 E N 0.195 120.390 120.200 -0.009 0.000 2.152 218 E HA -0.026 4.324 4.350 0.000 0.000 0.192 218 E C 1.993 178.589 176.600 -0.007 0.000 0.983 218 E CA 0.571 56.965 56.400 -0.010 0.000 0.818 218 E CB -0.063 29.625 29.700 -0.020 0.000 0.758 218 E HN 0.214 nan 8.360 nan 0.000 0.467 219 A N 1.538 124.353 122.820 -0.007 0.000 1.872 219 A HA -0.176 4.144 4.320 0.000 0.000 0.214 219 A C 2.041 179.642 177.584 0.027 0.000 1.187 219 A CA 1.260 53.295 52.037 -0.003 0.000 0.614 219 A CB -0.453 18.538 19.000 -0.015 0.000 0.826 219 A HN 0.156 nan 8.150 nan 0.000 0.442 220 E N -0.272 119.952 120.200 0.041 0.000 2.130 220 E HA -0.181 4.169 4.350 0.000 0.000 0.196 220 E C 2.045 178.668 176.600 0.038 0.000 0.998 220 E CA 1.039 57.471 56.400 0.052 0.000 0.806 220 E CB -0.262 29.466 29.700 0.048 0.000 0.738 220 E HN 0.612 nan 8.360 nan 0.000 0.459 221 A N 0.456 123.290 122.820 0.024 0.000 2.209 221 A HA 0.126 4.446 4.320 0.000 0.000 0.212 221 A C 1.788 179.382 177.584 0.017 0.000 1.158 221 A CA 1.055 53.102 52.037 0.018 0.000 0.742 221 A CB 0.059 19.064 19.000 0.009 0.000 0.790 221 A HN 0.207 nan 8.150 nan 0.000 0.472 222 A N -0.423 122.409 122.820 0.020 0.000 2.630 222 A HA 0.371 4.691 4.320 0.000 0.000 0.290 222 A C 0.456 178.062 177.584 0.036 0.000 1.267 222 A CA -0.234 51.815 52.037 0.019 0.000 0.950 222 A CB -0.373 18.631 19.000 0.007 0.000 1.144 222 A HN 0.359 nan 8.150 nan 0.000 0.527 223 N N 0.309 119.037 118.700 0.046 0.000 2.710 223 N HA -0.157 4.583 4.740 0.000 0.000 0.249 223 N C 0.248 175.814 175.510 0.094 0.000 1.059 223 N CA 1.694 54.783 53.050 0.064 0.000 0.720 223 N CB -1.126 37.395 38.487 0.056 0.000 0.983 223 N HN 0.673 nan 8.380 nan 0.000 0.544 224 T N -1.594 113.020 114.554 0.100 0.000 2.573 224 T HA 0.723 5.074 4.350 0.000 0.000 0.259 224 T C -1.165 173.660 174.700 0.208 0.000 0.886 224 T CA -0.298 61.893 62.100 0.151 0.000 1.110 224 T CB 1.256 70.151 68.868 0.045 0.000 1.421 224 T HN 0.233 nan 8.240 nan 0.000 0.523 225 Y N -1.659 118.656 120.300 0.025 0.000 2.728 225 Y HA 0.822 5.372 4.550 -0.000 0.000 0.330 225 Y C -1.736 174.178 175.900 0.023 0.000 1.234 225 Y CA -1.272 56.845 58.100 0.027 0.000 1.070 225 Y CB 0.794 39.275 38.460 0.034 0.000 1.300 225 Y HN 0.345 nan 8.280 nan 0.000 0.467 226 V N 3.657 123.648 119.914 0.128 0.000 2.495 226 V HA 0.434 4.554 4.120 0.000 0.000 0.298 226 V C -0.134 176.054 176.094 0.155 0.000 1.031 226 V CA -0.878 61.437 62.300 0.024 0.000 0.871 226 V CB 1.488 33.331 31.823 0.033 0.000 0.988 226 V HN 0.811 nan 8.190 nan 0.000 0.432 227 M N 3.484 123.125 119.600 0.068 0.000 2.318 227 M HA 0.942 5.422 4.480 0.000 0.000 0.347 227 M C -0.415 175.958 176.300 0.122 0.000 1.175 227 M CA -0.469 54.916 55.300 0.142 0.000 1.075 227 M CB 1.782 34.466 32.600 0.140 0.000 1.614 227 M HN 0.565 nan 8.290 nan 0.000 0.456 228 A N 1.388 124.289 122.820 0.136 0.000 2.359 228 A HA 0.471 4.791 4.320 0.000 0.000 0.303 228 A C -1.378 176.305 177.584 0.166 0.000 1.066 228 A CA -0.665 51.459 52.037 0.146 0.000 0.730 228 A CB 0.569 19.632 19.000 0.104 0.000 1.211 228 A HN 0.992 nan 8.150 nan 0.000 0.439 229 H N 2.099 121.249 119.070 0.133 0.000 2.955 229 H HA 0.555 5.111 4.556 -0.000 0.000 0.290 229 H C -0.084 175.241 175.328 -0.005 0.000 1.047 229 H CA 0.994 57.115 56.048 0.122 0.000 1.484 229 H CB 0.424 30.308 29.762 0.203 0.000 1.501 229 H HN 0.924 nan 8.280 nan 0.000 0.521 230 A N 5.172 127.722 122.820 -0.451 0.000 2.491 230 A HA 0.317 4.637 4.320 0.000 0.000 0.293 230 A C -1.345 176.022 177.584 -0.361 0.000 1.047 230 A CA -0.717 51.115 52.037 -0.341 0.000 0.735 230 A CB 0.388 19.333 19.000 -0.092 0.000 1.281 230 A HN 0.698 nan 8.150 nan 0.000 0.398 231 Y N 1.273 121.461 120.300 -0.187 0.000 2.382 231 Y HA 0.145 4.695 4.550 -0.000 0.000 0.292 231 Y C 2.008 177.863 175.900 -0.076 0.000 1.151 231 Y CA 1.504 59.520 58.100 -0.141 0.000 1.198 231 Y CB 0.093 38.440 38.460 -0.189 0.000 1.195 231 Y HN 0.714 nan 8.280 nan 0.000 0.530 232 T N -1.887 112.731 114.554 0.106 0.000 2.909 232 T HA 0.395 4.745 4.350 0.000 0.000 0.286 232 T C 1.566 176.283 174.700 0.028 0.000 1.002 232 T CA -0.155 61.971 62.100 0.045 0.000 1.074 232 T CB 1.597 70.477 68.868 0.021 0.000 0.984 232 T HN 0.345 nan 8.240 nan 0.000 0.495 233 G N 0.650 109.457 108.800 0.012 0.000 2.479 233 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 233 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 233 G C 1.474 176.378 174.900 0.007 0.000 1.115 233 G CA 0.631 45.736 45.100 0.008 0.000 0.757 233 G HN 0.858 nan 8.290 nan 0.000 0.560 234 R N 0.428 120.931 120.500 0.005 0.000 2.062 234 R HA 0.097 4.437 4.340 0.000 0.000 0.231 234 R C 2.811 179.117 176.300 0.010 0.000 1.136 234 R CA 1.444 57.547 56.100 0.005 0.000 0.948 234 R CB -0.448 29.854 30.300 0.003 0.000 0.845 234 R HN 0.214 nan 8.270 nan 0.000 0.430 235 A N 0.855 123.683 122.820 0.014 0.000 1.969 235 A HA -0.080 4.240 4.320 0.000 0.000 0.218 235 A C 2.133 179.725 177.584 0.013 0.000 1.169 235 A CA 1.195 53.242 52.037 0.017 0.000 0.635 235 A CB -0.390 18.621 19.000 0.018 0.000 0.810 235 A HN 0.388 nan 8.150 nan 0.000 0.445 236 I N -0.412 120.166 120.570 0.014 0.000 2.233 236 I HA -0.209 3.961 4.170 0.000 0.000 0.243 236 I C 2.963 179.080 176.117 0.001 0.000 1.093 236 I CA 0.953 62.263 61.300 0.016 0.000 1.380 236 I CB -0.310 37.715 38.000 0.041 0.000 1.067 236 I HN 0.322 nan 8.210 nan 0.000 0.413 237 A N 1.810 124.629 122.820 -0.002 0.000 1.908 237 A HA -0.257 4.063 4.320 0.000 0.000 0.218 237 A C 2.324 179.885 177.584 -0.040 0.000 1.181 237 A CA 2.222 54.246 52.037 -0.021 0.000 0.627 237 A CB -0.715 18.281 19.000 -0.006 0.000 0.818 237 A HN 0.503 nan 8.150 nan 0.000 0.445 238 R N -0.149 120.341 120.500 -0.017 0.000 2.092 238 R HA 0.146 4.486 4.340 0.000 0.000 0.231 238 R C 2.168 178.457 176.300 -0.018 0.000 1.119 238 R CA 1.431 57.523 56.100 -0.013 0.000 0.970 238 R CB -0.774 29.531 30.300 0.009 0.000 0.864 238 R HN 0.326 nan 8.270 nan 0.000 0.440 239 A N 1.275 124.089 122.820 -0.009 0.000 1.898 239 A HA -0.019 4.301 4.320 0.000 0.000 0.216 239 A C 2.392 179.954 177.584 -0.037 0.000 1.181 239 A CA 1.331 53.367 52.037 -0.002 0.000 0.620 239 A CB -0.467 18.546 19.000 0.021 0.000 0.819 239 A HN 0.159 nan 8.150 nan 0.000 0.442 240 V N -0.067 119.800 119.914 -0.078 0.000 2.453 240 V HA -0.186 3.935 4.120 0.000 0.000 0.247 240 V C 2.555 178.463 176.094 -0.310 0.000 1.048 240 V CA 1.921 64.121 62.300 -0.166 0.000 1.049 240 V CB -0.725 30.992 31.823 -0.177 0.000 0.672 240 V HN 0.497 nan 8.190 nan 0.000 0.457 241 R N -1.221 119.124 120.500 -0.258 0.000 2.189 241 R HA -0.081 4.259 4.340 0.000 0.000 0.218 241 R C 2.130 178.381 176.300 -0.081 0.000 1.074 241 R CA 1.346 57.321 56.100 -0.209 0.000 0.991 241 R CB -0.476 29.763 30.300 -0.101 0.000 0.883 241 R HN 0.438 nan 8.270 nan 0.000 0.457 242 C N -0.542 118.724 119.300 -0.056 0.000 2.481 242 C HA 0.163 4.623 4.460 0.000 0.000 0.275 242 C C 1.421 176.405 174.990 -0.010 0.000 1.419 242 C CA 0.806 59.812 59.018 -0.019 0.000 1.773 242 C CB -0.456 27.279 27.740 -0.009 0.000 1.862 242 C HN 0.799 nan 8.230 nan 0.000 0.530 243 G N 0.638 109.423 108.800 -0.025 0.000 2.173 243 G HA2 -0.115 3.845 3.960 0.000 0.000 0.174 243 G HA3 -0.115 3.845 3.960 0.000 0.000 0.174 243 G C -0.004 174.917 174.900 0.036 0.000 1.025 243 G CA 0.164 45.270 45.100 0.010 0.000 0.706 243 G HN 0.934 nan 8.290 nan 0.000 0.499 244 V N -1.636 118.295 119.914 0.029 0.000 2.686 244 V HA 0.686 4.806 4.120 0.000 0.000 0.295 244 V C 1.509 177.664 176.094 0.102 0.000 1.055 244 V CA 0.459 62.804 62.300 0.075 0.000 1.050 244 V CB 1.496 33.360 31.823 0.069 0.000 0.984 244 V HN 0.399 nan 8.190 nan 0.000 0.482 245 R N 2.606 123.213 120.500 0.178 0.000 2.066 245 R HA 0.094 4.434 4.340 0.000 0.000 0.224 245 R C 1.007 177.430 176.300 0.205 0.000 1.122 245 R CA 1.276 57.484 56.100 0.180 0.000 0.974 245 R CB -0.012 30.385 30.300 0.162 0.000 0.871 245 R HN 1.005 nan 8.270 nan 0.000 0.435 246 T N -1.271 113.420 114.554 0.228 0.000 2.856 246 T HA 0.476 4.826 4.350 0.000 0.000 0.283 246 T C -0.261 174.514 174.700 0.125 0.000 1.008 246 T CA -0.951 61.265 62.100 0.193 0.000 0.997 246 T CB 1.665 70.638 68.868 0.175 0.000 0.992 246 T HN -0.096 nan 8.240 nan 0.000 0.454 247 I N 3.006 123.615 120.570 0.065 0.000 2.336 247 I HA 0.391 4.561 4.170 0.000 0.000 0.292 247 I C 0.224 176.316 176.117 -0.041 0.000 0.991 247 I CA -0.697 60.615 61.300 0.019 0.000 1.227 247 I CB 1.676 39.680 38.000 0.008 0.000 1.366 247 I HN 0.750 nan 8.210 nan 0.000 0.466 248 E N 6.310 126.475 120.200 -0.059 0.000 2.277 248 E HA 0.300 4.650 4.350 0.000 0.000 0.274 248 E C 0.607 177.036 176.600 -0.285 0.000 1.022 248 E CA -0.301 55.943 56.400 -0.260 0.000 0.853 248 E CB 0.924 30.476 29.700 -0.247 0.000 1.086 248 E HN 0.532 nan 8.360 nan 0.000 0.397 249 H N 1.761 120.718 119.070 -0.189 0.000 2.876 249 H HA -0.301 4.255 4.556 0.000 0.000 0.089 249 H C 1.046 176.370 175.328 -0.007 0.000 0.604 249 H CA 1.504 57.496 56.048 -0.093 0.000 1.675 249 H CB -1.413 28.235 29.762 -0.189 0.000 1.917 249 H HN 0.842 nan 8.280 nan 0.000 0.923 250 G N 1.998 110.869 108.800 0.119 0.000 2.249 250 G HA2 -0.366 3.594 3.960 0.000 0.000 0.273 250 G HA3 -0.366 3.594 3.960 0.000 0.000 0.273 250 G C 0.659 175.719 174.900 0.266 0.000 1.036 250 G CA 1.211 46.426 45.100 0.193 0.000 0.824 250 G HN 0.638 nan 8.290 nan 0.000 0.504 251 N N -0.397 118.464 118.700 0.269 0.000 2.205 251 N HA -0.016 4.724 4.740 0.000 0.000 0.186 251 N C 1.254 176.783 175.510 0.032 0.000 1.015 251 N CA 1.206 54.335 53.050 0.132 0.000 0.862 251 N CB -0.066 38.425 38.487 0.006 0.000 0.986 251 N HN 0.604 nan 8.380 nan 0.000 0.429 252 L N 1.009 122.258 121.223 0.043 0.000 2.504 252 L HA 0.382 4.722 4.340 0.000 0.000 0.249 252 L C -0.781 176.076 176.870 -0.023 0.000 1.120 252 L CA -0.759 54.067 54.840 -0.024 0.000 0.997 252 L CB 0.441 42.471 42.059 -0.048 0.000 1.349 252 L HN -0.162 nan 8.230 nan 0.000 0.439 253 V N -1.971 117.898 119.914 -0.074 0.000 2.472 253 V HA 0.464 4.584 4.120 0.000 0.000 0.290 253 V C -0.100 175.919 176.094 -0.125 0.000 1.037 253 V CA -0.964 61.271 62.300 -0.107 0.000 0.908 253 V CB 1.310 32.991 31.823 -0.237 0.000 0.985 253 V HN 0.541 nan 8.190 nan 0.000 0.454 254 D N 2.904 123.254 120.400 -0.084 0.000 2.383 254 D HA 0.169 4.809 4.640 0.000 0.000 0.248 254 D C 1.114 177.359 176.300 -0.092 0.000 1.170 254 D CA -0.378 53.575 54.000 -0.078 0.000 0.977 254 D CB 0.669 41.441 40.800 -0.047 0.000 1.120 254 D HN 0.682 nan 8.370 nan 0.000 0.481 255 E N 0.203 120.356 120.200 -0.078 0.000 2.268 255 E HA -0.211 4.139 4.350 0.000 0.000 0.195 255 E C 1.678 178.257 176.600 -0.035 0.000 0.995 255 E CA 0.939 57.297 56.400 -0.069 0.000 0.836 255 E CB -0.439 29.226 29.700 -0.058 0.000 0.763 255 E HN 0.504 nan 8.360 nan 0.000 0.491 256 A N 2.138 124.943 122.820 -0.024 0.000 1.855 256 A HA 0.069 4.389 4.320 0.000 0.000 0.215 256 A C 2.533 180.125 177.584 0.013 0.000 1.191 256 A CA 2.096 54.131 52.037 -0.003 0.000 0.613 256 A CB -0.754 18.244 19.000 -0.004 0.000 0.829 256 A HN 0.388 nan 8.150 nan 0.000 0.442 257 A N -0.391 122.432 122.820 0.006 0.000 1.968 257 A HA 0.267 4.587 4.320 0.000 0.000 0.217 257 A C 2.434 180.050 177.584 0.053 0.000 1.169 257 A CA 1.741 53.793 52.037 0.026 0.000 0.638 257 A CB -0.860 18.152 19.000 0.019 0.000 0.812 257 A HN 0.997 nan 8.150 nan 0.000 0.446 258 A N 0.003 122.840 122.820 0.027 0.000 1.902 258 A HA -0.183 4.137 4.320 0.000 0.000 0.217 258 A C 2.155 179.794 177.584 0.092 0.000 1.181 258 A CA 1.904 53.976 52.037 0.059 0.000 0.623 258 A CB -0.447 18.520 19.000 -0.055 0.000 0.818 258 A HN 0.474 nan 8.150 nan 0.000 0.443 259 K N -0.752 119.686 120.400 0.065 0.000 2.057 259 K HA -0.144 4.176 4.320 0.000 0.000 0.207 259 K C 1.923 178.601 176.600 0.130 0.000 1.049 259 K CA 1.561 57.903 56.287 0.092 0.000 0.931 259 K CB -0.308 32.227 32.500 0.058 0.000 0.714 259 K HN 0.363 nan 8.250 nan 0.000 0.440 260 L N 1.274 122.567 121.223 0.117 0.000 2.083 260 L HA -0.142 4.198 4.340 0.000 0.000 0.209 260 L C 2.281 179.281 176.870 0.218 0.000 1.083 260 L CA 1.536 56.475 54.840 0.166 0.000 0.752 260 L CB -0.228 41.903 42.059 0.121 0.000 0.899 260 L HN 0.234 nan 8.230 nan 0.000 0.433 261 M N -1.927 117.764 119.600 0.151 0.000 2.159 261 M HA -0.224 4.256 4.480 0.000 0.000 0.263 261 M C 2.283 178.652 176.300 0.115 0.000 1.063 261 M CA 1.619 56.993 55.300 0.123 0.000 1.110 261 M CB -0.499 32.169 32.600 0.113 0.000 1.374 261 M HN 0.404 nan 8.290 nan 0.000 0.411 262 H N 0.579 119.665 119.070 0.027 0.000 2.321 262 H HA -0.144 4.412 4.556 0.000 0.000 0.300 262 H C 1.655 176.963 175.328 -0.033 0.000 1.087 262 H CA 2.210 58.248 56.048 -0.017 0.000 1.319 262 H CB -0.001 29.759 29.762 -0.005 0.000 1.379 262 H HN 0.333 nan 8.280 nan 0.000 0.501 263 E N -1.136 118.992 120.200 -0.120 0.000 2.150 263 E HA -0.125 4.225 4.350 0.000 0.000 0.193 263 E C 1.666 178.108 176.600 -0.264 0.000 0.985 263 E CA 1.254 57.508 56.400 -0.244 0.000 0.814 263 E CB -0.030 29.568 29.700 -0.170 0.000 0.752 263 E HN 0.670 nan 8.360 nan 0.000 0.466 264 H N -1.409 117.597 119.070 -0.105 0.000 2.551 264 H HA 0.200 4.756 4.556 -0.000 0.000 0.266 264 H C 1.085 176.339 175.328 -0.123 0.000 0.964 264 H CA 0.663 56.658 56.048 -0.087 0.000 1.180 264 H CB 0.706 30.441 29.762 -0.046 0.000 1.408 264 H HN 0.257 nan 8.280 nan 0.000 0.563 265 G N 0.254 109.000 108.800 -0.090 0.000 2.176 265 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 265 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 265 G C 0.311 175.017 174.900 -0.324 0.000 1.024 265 G CA 0.177 45.146 45.100 -0.219 0.000 0.755 265 G HN 0.665 nan 8.290 nan 0.000 0.507 266 A N -0.566 122.148 122.820 -0.178 0.000 2.388 266 A HA 0.751 5.071 4.320 0.000 0.000 0.257 266 A C 0.162 177.588 177.584 -0.262 0.000 1.095 266 A CA -0.123 51.828 52.037 -0.144 0.000 0.791 266 A CB 0.376 19.366 19.000 -0.016 0.000 1.029 266 A HN 0.558 nan 8.150 nan 0.000 0.489 267 F N 0.850 120.772 119.950 -0.047 0.000 2.380 267 F HA 0.536 5.063 4.527 0.000 0.000 0.321 267 F C 0.344 176.071 175.800 -0.122 0.000 1.103 267 F CA -0.361 57.589 58.000 -0.083 0.000 1.067 267 F CB 1.712 40.653 39.000 -0.099 0.000 1.265 267 F HN 0.246 nan 8.300 nan 0.000 0.517 268 V N 2.272 122.185 119.914 -0.002 0.000 2.483 268 V HA 0.363 4.483 4.120 0.000 0.000 0.297 268 V C -0.864 175.125 176.094 -0.175 0.000 1.027 268 V CA -0.824 61.350 62.300 -0.210 0.000 0.855 268 V CB 1.755 33.178 31.823 -0.667 0.000 0.995 268 V HN 0.471 nan 8.190 nan 0.000 0.424 269 V N 7.367 127.188 119.914 -0.155 0.000 2.277 269 V HA 0.333 4.453 4.120 0.000 0.000 0.269 269 V C -2.334 173.623 176.094 -0.229 0.000 1.036 269 V CA -1.826 60.375 62.300 -0.164 0.000 0.821 269 V CB 1.179 32.934 31.823 -0.114 0.000 1.052 269 V HN 0.700 nan 8.190 nan 0.000 0.462 270 P HA 0.253 nan 4.420 nan 0.000 0.272 270 P C 0.242 177.451 177.300 -0.151 0.000 1.223 270 P CA 0.002 63.038 63.100 -0.106 0.000 0.784 270 P CB 0.523 32.196 31.700 -0.044 0.000 0.923 271 T N -1.345 113.189 114.554 -0.034 0.000 3.585 271 T HA 0.305 4.655 4.350 0.000 0.000 0.252 271 T C 0.936 175.672 174.700 0.059 0.000 1.382 271 T CA -0.428 61.624 62.100 -0.079 0.000 1.584 271 T CB -1.037 67.746 68.868 -0.142 0.000 0.892 271 T HN 0.093 nan 8.240 nan 0.000 0.671 272 L N 0.347 121.604 121.223 0.057 0.000 2.191 272 L HA -0.005 4.335 4.340 0.000 0.000 0.212 272 L C 2.605 179.546 176.870 0.120 0.000 1.103 272 L CA 0.752 55.693 54.840 0.168 0.000 0.769 272 L CB -0.264 41.844 42.059 0.081 0.000 0.908 272 L HN 0.422 nan 8.230 nan 0.000 0.438 273 V N -0.886 119.025 119.914 -0.004 0.000 2.667 273 V HA -0.244 3.876 4.120 0.000 0.000 0.252 273 V C 2.548 178.601 176.094 -0.070 0.000 1.065 273 V CA 2.150 64.449 62.300 -0.001 0.000 1.083 273 V CB 0.139 31.977 31.823 0.024 0.000 0.692 273 V HN 0.490 nan 8.190 nan 0.000 0.468 274 T N -1.036 113.404 114.554 -0.190 0.000 2.915 274 T HA -0.166 4.184 4.350 0.000 0.000 0.269 274 T C 1.497 175.989 174.700 -0.346 0.000 1.071 274 T CA 1.776 63.685 62.100 -0.319 0.000 1.132 274 T CB -0.253 68.370 68.868 -0.408 0.000 0.878 274 T HN 0.680 nan 8.240 nan 0.000 0.479 275 Y N 0.943 121.235 120.300 -0.014 0.000 2.475 275 Y HA 0.159 4.709 4.550 0.000 0.000 0.289 275 Y C 2.331 178.190 175.900 -0.067 0.000 1.121 275 Y CA 0.212 58.294 58.100 -0.030 0.000 1.257 275 Y CB -0.210 38.242 38.460 -0.014 0.000 1.026 275 Y HN 0.213 nan 8.280 nan 0.000 0.555 276 D N -0.044 120.381 120.400 0.041 0.000 2.149 276 D HA -0.076 4.564 4.640 0.000 0.000 0.201 276 D C 2.220 178.422 176.300 -0.163 0.000 0.972 276 D CA 1.311 55.291 54.000 -0.033 0.000 0.835 276 D CB -0.263 40.540 40.800 0.006 0.000 0.966 276 D HN 0.311 nan 8.370 nan 0.000 0.476 277 A N 0.212 122.897 122.820 -0.226 0.000 1.970 277 A HA 0.017 4.337 4.320 0.000 0.000 0.216 277 A C 2.139 179.566 177.584 -0.262 0.000 1.170 277 A CA 0.543 52.350 52.037 -0.383 0.000 0.645 277 A CB -0.438 18.271 19.000 -0.485 0.000 0.816 277 A HN 0.190 nan 8.150 nan 0.000 0.447 278 L N -0.912 120.214 121.223 -0.162 0.000 2.558 278 L HA 0.077 4.417 4.340 0.000 0.000 0.225 278 L C 2.689 179.498 176.870 -0.102 0.000 1.128 278 L CA 0.399 55.183 54.840 -0.094 0.000 0.868 278 L CB -0.232 41.804 42.059 -0.040 0.000 1.006 278 L HN 0.414 nan 8.230 nan 0.000 0.454 279 A N 0.904 123.642 122.820 -0.136 0.000 1.840 279 A HA -0.167 4.154 4.320 0.000 0.000 0.214 279 A C 2.263 179.727 177.584 -0.200 0.000 1.198 279 A CA 1.544 53.504 52.037 -0.129 0.000 0.608 279 A CB -0.147 18.790 19.000 -0.104 0.000 0.839 279 A HN 0.226 nan 8.150 nan 0.000 0.443 280 K N -0.456 119.722 120.400 -0.371 0.000 2.067 280 K HA 0.030 4.350 4.320 0.000 0.000 0.203 280 K C 0.675 177.017 176.600 -0.430 0.000 1.048 280 K CA 1.262 57.275 56.287 -0.458 0.000 0.954 280 K CB -0.035 32.055 32.500 -0.683 0.000 0.737 280 K HN 0.634 nan 8.250 nan 0.000 0.444 281 H N -0.754 118.186 119.070 -0.216 0.000 2.539 281 H HA 0.350 4.906 4.556 0.000 0.000 0.293 281 H C 0.949 176.150 175.328 -0.212 0.000 1.156 281 H CA 0.035 55.858 56.048 -0.376 0.000 1.012 281 H CB 0.179 29.592 29.762 -0.581 0.000 1.600 281 H HN 0.273 nan 8.280 nan 0.000 0.538 282 G N 0.724 109.475 108.800 -0.082 0.000 2.557 282 G HA2 -0.014 3.946 3.960 0.000 0.000 0.213 282 G HA3 -0.014 3.946 3.960 0.000 0.000 0.213 282 G C 1.689 176.594 174.900 0.008 0.000 1.221 282 G CA 0.653 45.744 45.100 -0.015 0.000 0.832 282 G HN 0.443 nan 8.290 nan 0.000 0.556 283 A N 0.419 123.228 122.820 -0.018 0.000 1.969 283 A HA 0.027 4.347 4.320 0.000 0.000 0.218 283 A C 2.090 179.669 177.584 -0.008 0.000 1.169 283 A CA 1.986 54.020 52.037 -0.005 0.000 0.635 283 A CB -0.428 18.563 19.000 -0.015 0.000 0.810 283 A HN 0.483 nan 8.150 nan 0.000 0.445 284 E N -1.192 118.970 120.200 -0.065 0.000 2.118 284 E HA -0.168 4.182 4.350 0.000 0.000 0.195 284 E C 0.154 176.724 176.600 -0.050 0.000 0.992 284 E CA 0.953 57.277 56.400 -0.127 0.000 0.804 284 E CB -0.107 29.426 29.700 -0.278 0.000 0.741 284 E HN 0.544 nan 8.360 nan 0.000 0.458 285 F N -0.033 119.942 119.950 0.041 0.000 2.798 285 F HA 0.320 4.847 4.527 0.000 0.000 0.291 285 F C 1.102 176.907 175.800 0.009 0.000 1.174 285 F CA 0.292 58.307 58.000 0.026 0.000 1.392 285 F CB 0.596 39.614 39.000 0.029 0.000 0.966 285 F HN 0.111 nan 8.300 nan 0.000 0.509 286 G N 1.005 109.906 108.800 0.167 0.000 2.182 286 G HA2 -0.323 3.637 3.960 0.000 0.000 0.248 286 G HA3 -0.323 3.637 3.960 0.000 0.000 0.248 286 G C 0.165 175.101 174.900 0.059 0.000 1.042 286 G CA 0.052 45.207 45.100 0.093 0.000 0.775 286 G HN 0.373 nan 8.290 nan 0.000 0.501 287 M N 1.003 120.639 119.600 0.059 0.000 2.318 287 M HA 0.517 4.997 4.480 0.000 0.000 0.347 287 M C -1.811 174.507 176.300 0.030 0.000 1.175 287 M CA -2.227 53.095 55.300 0.036 0.000 1.075 287 M CB 1.221 33.845 32.600 0.041 0.000 1.614 287 M HN -0.043 nan 8.290 nan 0.000 0.456 288 P HA 0.009 nan 4.420 nan 0.000 0.263 288 P C -2.462 174.853 177.300 0.024 0.000 1.175 288 P CA -0.630 62.487 63.100 0.027 0.000 0.761 288 P CB -0.292 31.429 31.700 0.036 0.000 0.794 289 P HA -0.164 nan 4.420 nan 0.000 0.220 289 P C 1.348 178.654 177.300 0.010 0.000 1.148 289 P CA 1.354 64.461 63.100 0.010 0.000 0.803 289 P CB -0.072 31.633 31.700 0.007 0.000 0.782 290 E N -0.752 119.458 120.200 0.016 0.000 2.358 290 E HA -0.021 4.329 4.350 0.000 0.000 0.195 290 E C 1.379 177.993 176.600 0.023 0.000 1.010 290 E CA 0.962 57.371 56.400 0.015 0.000 0.856 290 E CB -0.836 28.874 29.700 0.017 0.000 0.795 290 E HN 0.127 nan 8.360 nan 0.000 0.504 291 S N 0.628 116.349 115.700 0.034 0.000 2.446 291 S HA -0.003 4.467 4.470 0.000 0.000 0.225 291 S C 1.991 176.613 174.600 0.036 0.000 1.016 291 S CA 0.777 59.006 58.200 0.049 0.000 0.943 291 S CB 0.153 63.394 63.200 0.068 0.000 0.786 291 S HN 0.201 nan 8.310 nan 0.000 0.508 292 V N 1.667 121.593 119.914 0.021 0.000 3.041 292 V HA 0.068 4.188 4.120 0.000 0.000 0.260 292 V C 2.416 178.507 176.094 -0.005 0.000 1.105 292 V CA 1.076 63.381 62.300 0.007 0.000 1.125 292 V CB -1.170 30.651 31.823 -0.003 0.000 0.730 292 V HN 0.466 nan 8.190 nan 0.000 0.479 293 A N 0.377 123.194 122.820 -0.006 0.000 1.930 293 A HA -0.160 4.160 4.320 0.000 0.000 0.217 293 A C 2.311 179.878 177.584 -0.028 0.000 1.175 293 A CA 1.619 53.646 52.037 -0.017 0.000 0.627 293 A CB -0.317 18.675 19.000 -0.013 0.000 0.815 293 A HN 0.503 nan 8.150 nan 0.000 0.443 294 K N -0.809 119.578 120.400 -0.022 0.000 2.305 294 K HA 0.094 4.414 4.320 0.000 0.000 0.199 294 K C 1.542 178.103 176.600 -0.064 0.000 1.047 294 K CA 0.685 56.944 56.287 -0.047 0.000 0.976 294 K CB 0.010 32.493 32.500 -0.029 0.000 0.765 294 K HN 0.264 nan 8.250 nan 0.000 0.474 295 V N 0.826 120.729 119.914 -0.018 0.000 3.041 295 V HA -0.064 4.056 4.120 0.000 0.000 0.260 295 V C 1.849 177.924 176.094 -0.032 0.000 1.105 295 V CA 1.331 63.641 62.300 0.017 0.000 1.125 295 V CB -0.012 31.858 31.823 0.078 0.000 0.730 295 V HN 0.282 nan 8.190 nan 0.000 0.479 296 A N -0.139 122.648 122.820 -0.055 0.000 2.066 296 A HA -0.099 4.221 4.320 0.000 0.000 0.218 296 A C 2.456 179.980 177.584 -0.100 0.000 1.157 296 A CA 1.740 53.739 52.037 -0.065 0.000 0.670 296 A CB -0.389 18.578 19.000 -0.054 0.000 0.804 296 A HN 0.729 nan 8.150 nan 0.000 0.453 297 S N -0.445 115.174 115.700 -0.136 0.000 2.470 297 S HA -0.026 4.444 4.470 0.000 0.000 0.222 297 S C 1.644 176.103 174.600 -0.235 0.000 1.024 297 S CA 0.947 59.049 58.200 -0.162 0.000 0.931 297 S CB -0.665 62.442 63.200 -0.154 0.000 0.791 297 S HN 0.737 nan 8.310 nan 0.000 0.513 298 V N 1.058 120.767 119.914 -0.342 0.000 2.951 298 V HA -0.007 4.113 4.120 0.000 0.000 0.255 298 V C 2.494 178.306 176.094 -0.470 0.000 1.088 298 V CA 1.086 63.082 62.300 -0.506 0.000 1.109 298 V CB -1.522 29.792 31.823 -0.848 0.000 0.724 298 V HN 0.683 nan 8.190 nan 0.000 0.471 299 Q N 0.010 119.603 119.800 -0.346 0.000 2.378 299 Q HA -0.088 4.252 4.340 0.000 0.000 0.205 299 Q C 2.019 177.947 176.000 -0.119 0.000 0.954 299 Q CA 0.960 56.646 55.803 -0.196 0.000 0.901 299 Q CB -0.393 28.313 28.738 -0.054 0.000 0.981 299 Q HN 0.586 nan 8.270 nan 0.000 0.483 300 Q N 1.719 121.442 119.800 -0.127 0.000 1.942 300 Q HA -0.112 4.228 4.340 0.000 0.000 0.203 300 Q C 1.529 177.480 176.000 -0.080 0.000 0.987 300 Q CA 1.475 57.225 55.803 -0.090 0.000 0.844 300 Q CB -0.331 28.352 28.738 -0.092 0.000 0.911 300 Q HN 0.237 nan 8.270 nan 0.000 0.423 301 K N 0.711 121.052 120.400 -0.098 0.000 2.589 301 K HA 0.032 4.352 4.320 0.000 0.000 0.192 301 K C 1.659 178.219 176.600 -0.066 0.000 1.029 301 K CA 0.519 56.757 56.287 -0.081 0.000 1.031 301 K CB -0.585 31.860 32.500 -0.091 0.000 0.821 301 K HN 0.384 nan 8.250 nan 0.000 0.502 302 G N 0.376 109.137 108.800 -0.065 0.000 2.414 302 G HA2 -0.250 3.710 3.960 0.000 0.000 0.215 302 G HA3 -0.250 3.710 3.960 0.000 0.000 0.215 302 G C 1.462 176.371 174.900 0.015 0.000 1.188 302 G CA 0.328 45.414 45.100 -0.024 0.000 0.783 302 G HN 0.262 nan 8.290 nan 0.000 0.537 303 R N 0.082 120.587 120.500 0.008 0.000 2.115 303 R HA 0.046 4.386 4.340 0.000 0.000 0.230 303 R C 2.423 178.726 176.300 0.006 0.000 1.111 303 R CA 1.088 57.199 56.100 0.018 0.000 0.976 303 R CB -0.186 30.123 30.300 0.015 0.000 0.870 303 R HN 0.489 nan 8.270 nan 0.000 0.445 304 E N 0.353 120.543 120.200 -0.016 0.000 2.150 304 E HA -0.165 4.185 4.350 0.000 0.000 0.193 304 E C 1.701 178.267 176.600 -0.057 0.000 0.985 304 E CA 1.467 57.846 56.400 -0.035 0.000 0.814 304 E CB 0.141 29.812 29.700 -0.048 0.000 0.752 304 E HN 0.343 nan 8.360 nan 0.000 0.466 305 S N 0.007 115.673 115.700 -0.056 0.000 2.406 305 S HA -0.110 4.360 4.470 0.000 0.000 0.228 305 S C 1.948 176.498 174.600 -0.083 0.000 1.020 305 S CA 0.368 58.488 58.200 -0.134 0.000 0.965 305 S CB -0.204 62.953 63.200 -0.071 0.000 0.798 305 S HN 0.151 nan 8.310 nan 0.000 0.488 306 L N 2.118 123.390 121.223 0.081 0.000 2.079 306 L HA 0.008 4.348 4.340 0.000 0.000 0.210 306 L C 2.645 179.572 176.870 0.095 0.000 1.081 306 L CA 1.704 56.643 54.840 0.165 0.000 0.752 306 L CB -0.937 41.186 42.059 0.106 0.000 0.896 306 L HN 0.414 nan 8.230 nan 0.000 0.433 307 E N -0.773 119.439 120.200 0.019 0.000 2.106 307 E HA -0.180 4.170 4.350 0.000 0.000 0.192 307 E C 2.287 178.865 176.600 -0.036 0.000 0.984 307 E CA 1.107 57.505 56.400 -0.003 0.000 0.806 307 E CB -0.112 29.577 29.700 -0.018 0.000 0.750 307 E HN 0.480 nan 8.360 nan 0.000 0.458 308 I N 0.195 120.698 120.570 -0.112 0.000 2.315 308 I HA -0.253 3.917 4.170 0.000 0.000 0.248 308 I C 1.836 177.853 176.117 -0.167 0.000 1.117 308 I CA 1.029 62.217 61.300 -0.186 0.000 1.404 308 I CB -0.232 37.587 38.000 -0.302 0.000 1.071 308 I HN 0.103 nan 8.210 nan 0.000 0.419 309 Y N 0.841 121.131 120.300 -0.017 0.000 2.314 309 Y HA -0.070 4.480 4.550 0.000 0.000 0.293 309 Y C 2.618 178.499 175.900 -0.031 0.000 1.129 309 Y CA 0.829 58.918 58.100 -0.018 0.000 1.201 309 Y CB -0.810 37.647 38.460 -0.005 0.000 0.999 309 Y HN 0.090 nan 8.280 nan 0.000 0.541 310 A N 0.139 123.029 122.820 0.116 0.000 1.929 310 A HA -0.140 4.180 4.320 0.000 0.000 0.216 310 A C 2.075 179.658 177.584 -0.002 0.000 1.176 310 A CA 1.542 53.609 52.037 0.050 0.000 0.628 310 A CB -0.507 18.518 19.000 0.043 0.000 0.816 310 A HN 0.358 nan 8.150 nan 0.000 0.444 311 N N 0.511 119.201 118.700 -0.016 0.000 2.188 311 N HA -0.054 4.686 4.740 0.000 0.000 0.184 311 N C 1.709 177.179 175.510 -0.068 0.000 1.018 311 N CA 1.491 54.517 53.050 -0.041 0.000 0.858 311 N CB -0.425 38.036 38.487 -0.042 0.000 0.989 311 N HN 0.446 nan 8.380 nan 0.000 0.426 312 A N -0.044 122.737 122.820 -0.066 0.000 2.169 312 A HA 0.346 4.666 4.320 0.000 0.000 0.212 312 A C 1.213 178.647 177.584 -0.249 0.000 1.153 312 A CA 0.834 52.811 52.037 -0.100 0.000 0.756 312 A CB -0.372 18.612 19.000 -0.027 0.000 0.813 312 A HN 0.309 nan 8.150 nan 0.000 0.471 313 G N -0.696 107.988 108.800 -0.192 0.000 2.291 313 G HA2 -0.099 3.861 3.960 0.000 0.000 0.271 313 G HA3 -0.099 3.861 3.960 0.000 0.000 0.271 313 G C -0.207 174.605 174.900 -0.146 0.000 1.099 313 G CA 0.060 45.000 45.100 -0.267 0.000 0.919 313 G HN 0.937 nan 8.290 nan 0.000 0.496 314 V N -0.207 119.711 119.914 0.006 0.000 2.398 314 V HA 0.491 4.611 4.120 0.000 0.000 0.286 314 V C 0.732 176.833 176.094 0.012 0.000 1.026 314 V CA -1.233 61.098 62.300 0.051 0.000 0.868 314 V CB 1.651 33.562 31.823 0.147 0.000 0.982 314 V HN 0.383 nan 8.190 nan 0.000 0.443 315 K N 4.159 124.546 120.400 -0.022 0.000 2.448 315 K HA 0.384 4.704 4.320 0.000 0.000 0.278 315 K C -0.397 176.229 176.600 0.043 0.000 1.009 315 K CA 0.639 56.953 56.287 0.045 0.000 0.995 315 K CB 0.346 32.922 32.500 0.126 0.000 0.917 315 K HN 0.609 nan 8.250 nan 0.000 0.481 316 M N 1.942 121.566 119.600 0.041 0.000 2.190 316 M HA 0.322 4.802 4.480 0.000 0.000 0.312 316 M C 0.210 176.524 176.300 0.024 0.000 0.990 316 M CA -0.612 54.676 55.300 -0.021 0.000 0.927 316 M CB 2.206 34.773 32.600 -0.056 0.000 1.571 316 M HN 0.733 nan 8.290 nan 0.000 0.427 317 G N 1.653 110.454 108.800 0.003 0.000 2.504 317 G HA2 0.499 4.459 3.960 0.000 0.000 0.288 317 G HA3 0.499 4.459 3.960 0.000 0.000 0.288 317 G C -1.300 173.612 174.900 0.021 0.000 1.182 317 G CA -0.445 44.666 45.100 0.018 0.000 0.894 317 G HN 0.605 nan 8.290 nan 0.000 0.521 318 F N 0.505 120.411 119.950 -0.073 0.000 2.429 318 F HA 0.550 5.077 4.527 0.000 0.000 0.348 318 F C 0.634 176.392 175.800 -0.070 0.000 1.109 318 F CA 0.509 58.446 58.000 -0.105 0.000 1.232 318 F CB 1.202 40.130 39.000 -0.120 0.000 1.157 318 F HN 0.566 nan 8.300 nan 0.000 0.564 319 G N 2.662 111.145 108.800 -0.528 0.000 2.753 319 G HA2 0.414 4.375 3.960 0.000 0.000 0.297 319 G HA3 0.414 4.375 3.960 0.000 0.000 0.297 319 G C -0.769 173.898 174.900 -0.388 0.000 1.430 319 G CA -0.121 44.819 45.100 -0.267 0.000 1.040 319 G HN 0.819 nan 8.290 nan 0.000 0.530 320 S N 0.721 116.332 115.700 -0.148 0.000 2.694 320 S HA 0.245 4.715 4.470 0.000 0.000 0.225 320 S C 0.877 175.446 174.600 -0.051 0.000 1.012 320 S CA 1.259 59.393 58.200 -0.110 0.000 0.896 320 S CB 0.116 63.306 63.200 -0.016 0.000 0.838 320 S HN 1.047 nan 8.310 nan 0.000 0.604 321 D N 0.424 120.853 120.400 0.049 0.000 2.981 321 D HA -0.112 4.528 4.640 0.000 0.000 0.223 321 D C -0.881 175.434 176.300 0.025 0.000 1.151 321 D CA 0.375 54.471 54.000 0.160 0.000 0.827 321 D CB -2.130 38.796 40.800 0.211 0.000 1.101 321 D HN 0.535 nan 8.370 nan 0.000 0.426 322 L N 0.126 121.279 121.223 -0.116 0.000 2.371 322 L HA 0.470 4.810 4.340 0.000 0.000 0.272 322 L C 0.765 177.362 176.870 -0.455 0.000 1.124 322 L CA -0.494 54.187 54.840 -0.265 0.000 0.816 322 L CB 0.854 42.759 42.059 -0.256 0.000 1.129 322 L HN 0.009 nan 8.230 nan 0.000 0.448 323 L N 1.970 123.029 121.223 -0.272 0.000 2.334 323 L HA 0.789 5.129 4.340 0.000 0.000 0.276 323 L C 0.919 177.719 176.870 -0.116 0.000 1.014 323 L CA -0.546 54.187 54.840 -0.178 0.000 0.815 323 L CB 1.347 43.354 42.059 -0.087 0.000 1.268 323 L HN 0.845 nan 8.230 nan 0.000 0.428 324 G N 1.848 110.649 108.800 0.002 0.000 2.574 324 G HA2 -0.293 3.667 3.960 0.000 0.000 0.286 324 G HA3 -0.293 3.667 3.960 0.000 0.000 0.286 324 G C 0.652 175.575 174.900 0.040 0.000 1.212 324 G CA 0.426 45.533 45.100 0.012 0.000 0.979 324 G HN 0.888 nan 8.290 nan 0.000 0.557 325 E N 0.541 120.645 120.200 -0.159 0.000 2.516 325 E HA 0.067 4.417 4.350 0.000 0.000 0.199 325 E C 2.313 178.927 176.600 0.023 0.000 1.069 325 E CA 1.050 57.355 56.400 -0.158 0.000 0.876 325 E CB -0.126 29.313 29.700 -0.436 0.000 0.843 325 E HN 0.648 nan 8.360 nan 0.000 0.530 326 M N 0.268 119.906 119.600 0.063 0.000 2.659 326 M HA 0.024 4.504 4.480 0.000 0.000 0.243 326 M C 1.222 177.684 176.300 0.270 0.000 1.111 326 M CA 0.506 55.929 55.300 0.204 0.000 1.070 326 M CB -0.309 32.297 32.600 0.009 0.000 1.525 326 M HN 0.152 nan 8.290 nan 0.000 0.517 327 H N -0.274 118.902 119.070 0.177 0.000 2.456 327 H HA -0.030 4.526 4.556 0.000 0.000 0.296 327 H C 1.931 177.368 175.328 0.181 0.000 1.079 327 H CA 1.363 57.498 56.048 0.144 0.000 1.322 327 H CB 0.237 30.041 29.762 0.071 0.000 1.388 327 H HN 0.439 nan 8.280 nan 0.000 0.538 328 A N -0.351 122.664 122.820 0.325 0.000 2.239 328 A HA -0.035 4.285 4.320 0.000 0.000 0.209 328 A C 0.838 178.481 177.584 0.099 0.000 1.171 328 A CA 0.495 52.633 52.037 0.169 0.000 0.768 328 A CB -0.507 18.525 19.000 0.054 0.000 0.790 328 A HN 0.329 nan 8.150 nan 0.000 0.478 329 F N -0.753 119.278 119.950 0.134 0.000 2.693 329 F HA 0.134 4.661 4.527 0.000 0.000 0.303 329 F C 2.066 177.958 175.800 0.154 0.000 1.097 329 F CA 0.194 58.276 58.000 0.137 0.000 1.330 329 F CB -0.068 39.006 39.000 0.123 0.000 1.067 329 F HN 0.347 nan 8.300 nan 0.000 0.565 330 Q N 0.086 120.071 119.800 0.308 0.000 2.077 330 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 330 Q C 2.079 178.325 176.000 0.410 0.000 0.989 330 Q CA 2.145 58.107 55.803 0.265 0.000 0.853 330 Q CB -0.095 28.740 28.738 0.161 0.000 0.907 330 Q HN 0.264 nan 8.270 nan 0.000 0.418 331 S N -0.476 115.500 115.700 0.459 0.000 2.447 331 S HA -0.059 4.411 4.470 0.000 0.000 0.233 331 S C 1.584 176.508 174.600 0.539 0.000 1.006 331 S CA 0.741 59.295 58.200 0.589 0.000 0.957 331 S CB -0.177 63.261 63.200 0.397 0.000 0.773 331 S HN 0.642 nan 8.310 nan 0.000 0.507 332 G N 1.053 110.078 108.800 0.375 0.000 2.509 332 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 332 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 332 G C 1.168 176.229 174.900 0.268 0.000 1.124 332 G CA 0.739 46.018 45.100 0.299 0.000 0.776 332 G HN 0.531 nan 8.290 nan 0.000 0.547 333 E N 0.194 120.541 120.200 0.245 0.000 2.150 333 E HA -0.082 4.268 4.350 0.000 0.000 0.193 333 E C 1.815 178.464 176.600 0.082 0.000 0.985 333 E CA 0.601 57.006 56.400 0.009 0.000 0.814 333 E CB -0.396 29.056 29.700 -0.412 0.000 0.752 333 E HN 0.417 nan 8.360 nan 0.000 0.466 334 F N 0.632 120.787 119.950 0.341 0.000 2.126 334 F HA -0.131 4.396 4.527 0.000 0.000 0.299 334 F C 2.607 178.480 175.800 0.122 0.000 1.096 334 F CA 1.673 59.823 58.000 0.249 0.000 1.255 334 F CB -0.316 38.760 39.000 0.126 0.000 0.997 334 F HN 0.026 nan 8.300 nan 0.000 0.479 335 R N 0.449 121.134 120.500 0.309 0.000 2.066 335 R HA -0.120 4.220 4.340 0.000 0.000 0.232 335 R C 2.276 178.658 176.300 0.136 0.000 1.131 335 R CA 1.521 57.733 56.100 0.187 0.000 0.955 335 R CB -0.490 29.904 30.300 0.157 0.000 0.851 335 R HN 0.280 nan 8.270 nan 0.000 0.432 336 I N 0.219 120.861 120.570 0.121 0.000 2.163 336 I HA -0.305 3.865 4.170 0.000 0.000 0.243 336 I C 2.501 178.659 176.117 0.070 0.000 1.085 336 I CA 1.464 62.812 61.300 0.081 0.000 1.347 336 I CB -0.286 37.751 38.000 0.061 0.000 1.044 336 I HN 0.158 nan 8.210 nan 0.000 0.408 337 R N 0.633 121.175 120.500 0.070 0.000 2.092 337 R HA -0.083 4.257 4.340 0.000 0.000 0.231 337 R C 2.448 178.800 176.300 0.085 0.000 1.119 337 R CA 1.351 57.488 56.100 0.063 0.000 0.970 337 R CB -0.384 29.943 30.300 0.045 0.000 0.864 337 R HN 0.378 nan 8.270 nan 0.000 0.440 338 A N 1.112 124.000 122.820 0.113 0.000 1.969 338 A HA -0.165 4.155 4.320 0.000 0.000 0.218 338 A C 1.824 179.451 177.584 0.072 0.000 1.169 338 A CA 1.181 53.278 52.037 0.100 0.000 0.635 338 A CB -0.225 18.842 19.000 0.112 0.000 0.810 338 A HN 0.298 nan 8.150 nan 0.000 0.445 339 E N -0.474 119.767 120.200 0.068 0.000 2.077 339 E HA -0.122 4.228 4.350 0.000 0.000 0.193 339 E C 1.926 178.553 176.600 0.044 0.000 0.989 339 E CA 1.419 57.850 56.400 0.053 0.000 0.800 339 E CB -0.160 29.572 29.700 0.052 0.000 0.746 339 E HN 0.421 nan 8.360 nan 0.000 0.452 340 V N 0.662 120.603 119.914 0.045 0.000 2.535 340 V HA -0.120 4.000 4.120 0.000 0.000 0.246 340 V C 1.866 177.983 176.094 0.039 0.000 1.045 340 V CA 1.225 63.548 62.300 0.038 0.000 1.058 340 V CB -0.036 31.810 31.823 0.038 0.000 0.689 340 V HN 0.234 nan 8.190 nan 0.000 0.461 341 L N -0.560 120.692 121.223 0.048 0.000 2.858 341 L HA 0.562 4.902 4.340 0.000 0.000 0.251 341 L C 0.861 177.760 176.870 0.048 0.000 1.149 341 L CA 0.469 55.337 54.840 0.047 0.000 0.955 341 L CB 0.364 42.455 42.059 0.054 0.000 1.289 341 L HN 0.465 nan 8.230 nan 0.000 0.542 342 G N 1.244 110.074 108.800 0.051 0.000 2.777 342 G HA2 -0.232 3.728 3.960 0.000 0.000 0.686 342 G HA3 -0.232 3.728 3.960 0.000 0.000 0.686 342 G C 0.326 175.263 174.900 0.063 0.000 1.177 342 G CA -0.108 45.022 45.100 0.049 0.000 0.775 342 G HN 0.309 nan 8.290 nan 0.000 0.613 343 N N 0.903 119.639 118.700 0.059 0.000 2.223 343 N HA -0.132 4.608 4.740 0.000 0.000 0.185 343 N C 2.233 177.788 175.510 0.075 0.000 1.016 343 N CA 1.195 54.288 53.050 0.072 0.000 0.863 343 N CB 0.286 38.801 38.487 0.048 0.000 0.983 343 N HN 0.506 nan 8.380 nan 0.000 0.429 344 L N 1.221 122.478 121.223 0.056 0.000 2.083 344 L HA -0.128 4.212 4.340 0.000 0.000 0.209 344 L C 2.391 179.303 176.870 0.070 0.000 1.083 344 L CA 1.642 56.515 54.840 0.054 0.000 0.752 344 L CB -0.227 41.855 42.059 0.038 0.000 0.899 344 L HN 0.092 nan 8.230 nan 0.000 0.433 345 E N 0.144 120.386 120.200 0.071 0.000 2.107 345 E HA -0.125 4.225 4.350 0.000 0.000 0.191 345 E C 2.041 178.703 176.600 0.104 0.000 0.982 345 E CA 1.373 57.819 56.400 0.077 0.000 0.809 345 E CB -0.068 29.670 29.700 0.064 0.000 0.756 345 E HN 0.449 nan 8.360 nan 0.000 0.459 346 A N 0.359 123.257 122.820 0.129 0.000 1.972 346 A HA -0.112 4.208 4.320 0.000 0.000 0.219 346 A C 2.186 179.934 177.584 0.274 0.000 1.169 346 A CA 1.171 53.322 52.037 0.191 0.000 0.635 346 A CB -0.547 18.594 19.000 0.234 0.000 0.810 346 A HN 0.330 nan 8.150 nan 0.000 0.446 347 L N -1.498 119.867 121.223 0.238 0.000 2.179 347 L HA -0.057 4.283 4.340 0.000 0.000 0.208 347 L C 2.728 179.705 176.870 0.178 0.000 1.096 347 L CA 0.710 55.697 54.840 0.245 0.000 0.779 347 L CB -0.451 41.686 42.059 0.130 0.000 0.922 347 L HN 0.356 nan 8.230 nan 0.000 0.443 348 R N -0.335 120.244 120.500 0.130 0.000 2.148 348 R HA -0.088 4.252 4.340 0.000 0.000 0.227 348 R C 2.444 178.806 176.300 0.104 0.000 1.103 348 R CA 1.206 57.367 56.100 0.102 0.000 0.983 348 R CB -0.233 30.116 30.300 0.082 0.000 0.874 348 R HN 0.275 nan 8.270 nan 0.000 0.451 349 S N 0.790 116.561 115.700 0.119 0.000 2.374 349 S HA -0.181 4.289 4.470 0.000 0.000 0.227 349 S C 1.840 176.528 174.600 0.148 0.000 1.037 349 S CA 1.624 59.903 58.200 0.131 0.000 1.024 349 S CB -0.033 63.267 63.200 0.166 0.000 0.861 349 S HN 0.493 nan 8.310 nan 0.000 0.456 350 A N 0.439 123.318 122.820 0.099 0.000 2.348 350 A HA 0.257 4.577 4.320 0.000 0.000 0.224 350 A C 1.819 179.474 177.584 0.118 0.000 1.227 350 A CA 0.906 52.970 52.037 0.045 0.000 0.885 350 A CB -0.187 18.666 19.000 -0.245 0.000 0.933 350 A HN 0.584 nan 8.150 nan 0.000 0.506 351 T N -3.817 110.805 114.554 0.114 0.000 3.330 351 T HA 0.023 4.373 4.350 0.000 0.000 0.185 351 T C 1.923 176.660 174.700 0.061 0.000 0.874 351 T CA 1.324 63.484 62.100 0.101 0.000 1.268 351 T CB -1.022 67.914 68.868 0.113 0.000 1.866 351 T HN 0.248 nan 8.240 nan 0.000 0.395 352 T N 1.101 115.690 114.554 0.058 0.000 2.777 352 T HA -0.030 4.320 4.350 0.000 0.000 0.266 352 T C 2.091 176.811 174.700 0.034 0.000 1.040 352 T CA 1.326 63.451 62.100 0.042 0.000 1.141 352 T CB -1.132 67.763 68.868 0.046 0.000 0.868 352 T HN 0.184 nan 8.240 nan 0.000 0.444 353 V N 2.249 122.191 119.914 0.047 0.000 2.307 353 V HA -0.012 4.108 4.120 0.000 0.000 0.245 353 V C 3.248 179.315 176.094 -0.046 0.000 1.045 353 V CA 1.511 63.839 62.300 0.047 0.000 1.024 353 V CB -1.400 30.476 31.823 0.088 0.000 0.651 353 V HN 0.656 nan 8.190 nan 0.000 0.449 354 A N 0.068 122.870 122.820 -0.030 0.000 1.972 354 A HA -0.116 4.204 4.320 0.000 0.000 0.219 354 A C 2.378 179.878 177.584 -0.139 0.000 1.169 354 A CA 1.982 53.972 52.037 -0.079 0.000 0.635 354 A CB -0.678 18.329 19.000 0.012 0.000 0.810 354 A HN 0.576 nan 8.150 nan 0.000 0.446 355 A N -0.587 122.184 122.820 -0.082 0.000 2.015 355 A HA -0.141 4.179 4.320 0.000 0.000 0.219 355 A C 1.976 179.480 177.584 -0.135 0.000 1.163 355 A CA 1.670 53.655 52.037 -0.086 0.000 0.646 355 A CB -0.398 18.588 19.000 -0.023 0.000 0.806 355 A HN 0.669 nan 8.150 nan 0.000 0.448 356 E N -0.274 119.832 120.200 -0.156 0.000 2.152 356 E HA -0.078 4.272 4.350 0.000 0.000 0.192 356 E C 1.774 178.101 176.600 -0.454 0.000 0.983 356 E CA 0.740 57.025 56.400 -0.192 0.000 0.818 356 E CB -0.145 29.527 29.700 -0.047 0.000 0.758 356 E HN 0.684 nan 8.360 nan 0.000 0.467 357 I N 0.845 121.023 120.570 -0.653 0.000 2.252 357 I HA -0.192 3.978 4.170 0.000 0.000 0.245 357 I C 2.170 177.952 176.117 -0.559 0.000 1.102 357 I CA 0.865 61.653 61.300 -0.854 0.000 1.385 357 I CB -0.039 37.541 38.000 -0.699 0.000 1.064 357 I HN 0.125 nan 8.210 nan 0.000 0.414 358 V N -1.892 117.766 119.914 -0.427 0.000 3.646 358 V HA 0.192 4.312 4.120 0.000 0.000 0.277 358 V C 0.397 176.352 176.094 -0.232 0.000 1.274 358 V CA 0.189 62.226 62.300 -0.438 0.000 1.164 358 V CB -1.528 29.706 31.823 -0.982 0.000 0.926 358 V HN 0.600 nan 8.190 nan 0.000 0.442 359 N N 0.515 119.097 118.700 -0.196 0.000 2.725 359 N HA -0.159 4.581 4.740 0.000 0.000 0.249 359 N C 0.196 175.694 175.510 -0.020 0.000 1.103 359 N CA 1.172 54.172 53.050 -0.084 0.000 0.707 359 N CB -0.740 37.733 38.487 -0.023 0.000 1.043 359 N HN 0.487 nan 8.380 nan 0.000 0.553 360 M N 0.537 120.116 119.600 -0.034 0.000 3.076 360 M HA 0.089 4.569 4.480 0.000 0.000 0.296 360 M C 0.095 176.397 176.300 0.005 0.000 1.185 360 M CA -0.048 55.264 55.300 0.019 0.000 0.932 360 M CB 0.076 32.713 32.600 0.062 0.000 1.288 360 M HN 0.132 nan 8.290 nan 0.000 0.536 361 Q N 0.118 119.916 119.800 -0.004 0.000 2.271 361 Q HA 0.374 4.715 4.340 0.000 0.000 0.273 361 Q C 0.824 176.833 176.000 0.015 0.000 1.051 361 Q CA 0.869 56.673 55.803 0.003 0.000 0.901 361 Q CB 0.323 29.064 28.738 0.006 0.000 1.174 361 Q HN 0.747 nan 8.270 nan 0.000 0.385 362 G N 2.421 111.231 108.800 0.017 0.000 2.184 362 G HA2 -0.379 3.581 3.960 0.000 0.000 0.264 362 G HA3 -0.379 3.581 3.960 0.000 0.000 0.264 362 G C 0.594 175.507 174.900 0.022 0.000 0.975 362 G CA 0.785 45.896 45.100 0.019 0.000 0.642 362 G HN 0.602 nan 8.290 nan 0.000 0.536 363 Q N -1.190 118.626 119.800 0.026 0.000 2.532 363 Q HA 0.627 4.967 4.340 0.000 0.000 0.247 363 Q C 1.214 177.238 176.000 0.040 0.000 0.872 363 Q CA 0.393 56.217 55.803 0.035 0.000 0.963 363 Q CB 0.382 29.147 28.738 0.045 0.000 1.159 363 Q HN 0.555 nan 8.270 nan 0.000 0.598 364 L N -1.834 119.415 121.223 0.043 0.000 2.260 364 L HA 0.575 4.915 4.340 0.000 0.000 0.265 364 L C 0.694 177.582 176.870 0.031 0.000 1.015 364 L CA -0.136 54.731 54.840 0.046 0.000 0.826 364 L CB 1.754 43.859 42.059 0.077 0.000 1.373 364 L HN 0.393 nan 8.230 nan 0.000 0.450 365 G N 0.223 109.043 108.800 0.033 0.000 2.205 365 G HA2 -0.243 3.717 3.960 0.000 0.000 0.269 365 G HA3 -0.243 3.717 3.960 0.000 0.000 0.269 365 G C -0.328 174.588 174.900 0.028 0.000 0.977 365 G CA 0.567 45.687 45.100 0.035 0.000 0.652 365 G HN 0.436 nan 8.290 nan 0.000 0.539 366 V N 0.714 120.639 119.914 0.018 0.000 2.760 366 V HA 0.642 4.762 4.120 0.000 0.000 0.309 366 V C -0.127 175.970 176.094 0.004 0.000 1.077 366 V CA -1.201 61.107 62.300 0.013 0.000 0.910 366 V CB 1.781 33.612 31.823 0.014 0.000 1.008 366 V HN 0.281 nan 8.190 nan 0.000 0.424 367 I N 6.431 127.000 120.570 -0.002 0.000 2.278 367 I HA 0.662 4.832 4.170 0.000 0.000 0.296 367 I C 0.333 176.449 176.117 -0.002 0.000 1.121 367 I CA 0.209 61.506 61.300 -0.006 0.000 1.267 367 I CB 0.610 38.602 38.000 -0.014 0.000 1.447 367 I HN 0.713 nan 8.210 nan 0.000 0.509 368 A N 5.173 127.996 122.820 0.004 0.000 2.572 368 A HA 0.639 4.959 4.320 0.000 0.000 0.295 368 A C -0.712 176.879 177.584 0.011 0.000 1.072 368 A CA -0.552 51.489 52.037 0.008 0.000 0.691 368 A CB 1.537 20.543 19.000 0.009 0.000 1.291 368 A HN 0.220 nan 8.150 nan 0.000 0.404 369 V N 1.863 121.786 119.914 0.014 0.000 2.458 369 V HA 0.431 4.551 4.120 0.000 0.000 0.287 369 V C 1.492 177.594 176.094 0.014 0.000 1.009 369 V CA 2.150 64.459 62.300 0.015 0.000 1.091 369 V CB 0.052 31.886 31.823 0.018 0.000 0.960 369 V HN 2.195 nan 8.190 nan 0.000 0.476 370 G N 3.931 112.738 108.800 0.012 0.000 2.259 370 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 370 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 370 G C 0.477 175.385 174.900 0.014 0.000 1.001 370 G CA 0.130 45.238 45.100 0.013 0.000 0.627 370 G HN 1.356 nan 8.290 nan 0.000 0.501 371 A N 0.440 123.268 122.820 0.013 0.000 2.346 371 A HA 0.678 4.999 4.320 0.000 0.000 0.252 371 A C 0.747 178.339 177.584 0.013 0.000 1.089 371 A CA 0.051 52.097 52.037 0.015 0.000 0.797 371 A CB 0.159 19.168 19.000 0.014 0.000 1.047 371 A HN 0.820 nan 8.150 nan 0.000 0.494 372 I N 0.725 121.305 120.570 0.018 0.000 2.648 372 I HA 0.136 4.306 4.170 0.000 0.000 0.284 372 I C 1.146 177.266 176.117 0.005 0.000 1.153 372 I CA 0.186 61.494 61.300 0.014 0.000 1.426 372 I CB 1.105 39.120 38.000 0.025 0.000 1.381 372 I HN 0.666 nan 8.210 nan 0.000 0.571 373 A N 5.225 128.043 122.820 -0.003 0.000 3.077 373 A HA 0.156 4.476 4.320 0.000 0.000 0.255 373 A C -0.386 177.186 177.584 -0.021 0.000 1.728 373 A CA -0.304 51.725 52.037 -0.013 0.000 1.383 373 A CB -0.969 18.021 19.000 -0.016 0.000 1.097 373 A HN 0.627 nan 8.150 nan 0.000 0.634 374 D N 0.836 121.224 120.400 -0.021 0.000 2.396 374 D HA 0.574 5.214 4.640 0.000 0.000 0.225 374 D C -0.436 175.825 176.300 -0.065 0.000 1.121 374 D CA 0.462 54.440 54.000 -0.036 0.000 0.853 374 D CB 0.882 41.672 40.800 -0.017 0.000 1.043 374 D HN 0.364 nan 8.370 nan 0.000 0.500 375 L N 1.586 122.759 121.223 -0.084 0.000 2.371 375 L HA 0.623 4.963 4.340 0.000 0.000 0.262 375 L C -0.744 176.035 176.870 -0.151 0.000 1.006 375 L CA -1.126 53.650 54.840 -0.107 0.000 0.818 375 L CB 2.397 44.415 42.059 -0.068 0.000 1.354 375 L HN -0.015 nan 8.230 nan 0.000 0.415 376 V N 2.335 122.127 119.914 -0.203 0.000 2.555 376 V HA 0.489 4.609 4.120 0.000 0.000 0.302 376 V C -0.554 175.470 176.094 -0.115 0.000 1.038 376 V CA -0.641 61.518 62.300 -0.235 0.000 0.887 376 V CB 2.429 33.940 31.823 -0.521 0.000 0.991 376 V HN 0.394 nan 8.190 nan 0.000 0.434 377 V N 6.276 126.171 119.914 -0.031 0.000 2.384 377 V HA 0.533 4.653 4.120 0.000 0.000 0.287 377 V C -0.548 175.551 176.094 0.007 0.000 1.020 377 V CA -0.479 61.844 62.300 0.038 0.000 0.850 377 V CB 1.546 33.483 31.823 0.190 0.000 0.987 377 V HN 0.612 nan 8.190 nan 0.000 0.436 378 L N 4.277 125.497 121.223 -0.005 0.000 2.386 378 L HA 0.597 4.937 4.340 0.000 0.000 0.271 378 L C -0.614 176.247 176.870 -0.015 0.000 0.993 378 L CA -0.217 54.610 54.840 -0.021 0.000 0.819 378 L CB 2.123 44.169 42.059 -0.022 0.000 1.294 378 L HN 0.641 nan 8.230 nan 0.000 0.414 379 D N 3.338 123.724 120.400 -0.024 0.000 2.380 379 D HA 0.582 5.222 4.640 0.000 0.000 0.230 379 D C 0.206 176.493 176.300 -0.021 0.000 1.154 379 D CA 1.278 55.266 54.000 -0.020 0.000 0.859 379 D CB 0.459 41.242 40.800 -0.028 0.000 1.045 379 D HN 0.914 nan 8.370 nan 0.000 0.495 380 G N 2.953 111.742 108.800 -0.018 0.000 2.619 380 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 380 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 380 G C -0.589 174.296 174.900 -0.024 0.000 1.256 380 G CA -1.088 44.000 45.100 -0.020 0.000 0.826 380 G HN 0.552 nan 8.290 nan 0.000 0.619 381 N N 1.296 119.982 118.700 -0.024 0.000 2.422 381 N HA 0.485 5.225 4.740 0.000 0.000 0.264 381 N C -0.537 174.955 175.510 -0.029 0.000 1.063 381 N CA -1.934 51.101 53.050 -0.026 0.000 0.959 381 N CB 1.645 40.118 38.487 -0.022 0.000 1.087 381 N HN 0.227 nan 8.380 nan 0.000 0.483 382 P HA -0.056 nan 4.420 nan 0.000 0.229 382 P C 1.212 178.495 177.300 -0.029 0.000 1.160 382 P CA 0.299 63.367 63.100 -0.053 0.000 0.777 382 P CB 0.637 32.290 31.700 -0.079 0.000 0.814 383 L N 0.342 121.555 121.223 -0.017 0.000 2.109 383 L HA -0.051 4.289 4.340 0.000 0.000 0.207 383 L C 2.476 179.345 176.870 -0.001 0.000 1.086 383 L CA 1.797 56.635 54.840 -0.004 0.000 0.760 383 L CB -1.351 40.706 42.059 -0.004 0.000 0.910 383 L HN -0.077 nan 8.230 nan 0.000 0.437 384 E N -0.818 119.378 120.200 -0.006 0.000 2.086 384 E HA -0.045 4.305 4.350 0.000 0.000 0.190 384 E C 0.143 176.742 176.600 -0.001 0.000 0.975 384 E CA 0.597 56.996 56.400 -0.003 0.000 0.813 384 E CB 0.065 29.762 29.700 -0.005 0.000 0.768 384 E HN 0.327 nan 8.360 nan 0.000 0.457 385 D N -0.534 119.862 120.400 -0.007 0.000 2.686 385 D HA 0.142 4.782 4.640 0.000 0.000 0.249 385 D C 0.028 176.317 176.300 -0.018 0.000 1.260 385 D CA -0.407 53.589 54.000 -0.006 0.000 0.910 385 D CB 1.122 41.918 40.800 -0.006 0.000 1.323 385 D HN -0.222 nan 8.370 nan 0.000 0.561 386 I N 3.311 123.877 120.570 -0.006 0.000 3.111 386 I HA 0.206 4.376 4.170 0.000 0.000 0.272 386 I C 1.978 178.076 176.117 -0.030 0.000 1.268 386 I CA 0.807 62.096 61.300 -0.018 0.000 1.467 386 I CB -0.210 37.812 38.000 0.037 0.000 1.087 386 I HN 0.646 nan 8.210 nan 0.000 0.467 387 G N -0.072 108.721 108.800 -0.010 0.000 2.471 387 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 387 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 387 G C 1.649 176.531 174.900 -0.030 0.000 1.125 387 G CA 0.956 46.052 45.100 -0.005 0.000 0.775 387 G HN 0.442 nan 8.290 nan 0.000 0.548 388 V N -1.561 118.323 119.914 -0.051 0.000 3.305 388 V HA 0.081 4.201 4.120 0.000 0.000 0.269 388 V C 1.888 177.926 176.094 -0.093 0.000 1.157 388 V CA 1.455 63.721 62.300 -0.057 0.000 1.157 388 V CB 0.026 31.820 31.823 -0.049 0.000 0.772 388 V HN 0.115 nan 8.190 nan 0.000 0.498 389 V N -0.418 119.394 119.914 -0.170 0.000 3.539 389 V HA 0.515 4.635 4.120 0.000 0.000 0.262 389 V C 2.157 178.100 176.094 -0.251 0.000 1.381 389 V CA 0.825 62.918 62.300 -0.345 0.000 1.060 389 V CB 0.579 31.934 31.823 -0.780 0.000 0.842 389 V HN 0.539 nan 8.190 nan 0.000 0.445 390 A N -0.680 122.090 122.820 -0.083 0.000 2.465 390 A HA 0.253 4.573 4.320 0.000 0.000 0.255 390 A C 0.691 178.326 177.584 0.085 0.000 1.274 390 A CA 0.251 52.336 52.037 0.080 0.000 0.920 390 A CB -0.144 18.943 19.000 0.146 0.000 1.033 390 A HN 0.352 nan 8.150 nan 0.000 0.516 391 D N 0.743 121.168 120.400 0.043 0.000 3.071 391 D HA 0.154 4.794 4.640 0.000 0.000 0.259 391 D C 0.278 176.596 176.300 0.031 0.000 1.331 391 D CA -0.054 53.965 54.000 0.032 0.000 0.861 391 D CB -0.551 40.257 40.800 0.013 0.000 1.059 391 D HN 0.381 nan 8.370 nan 0.000 0.486 392 E N 0.470 120.707 120.200 0.062 0.000 2.328 392 E HA -0.248 4.103 4.350 0.000 0.000 0.233 392 E C 0.538 177.186 176.600 0.079 0.000 1.219 392 E CA 0.523 56.968 56.400 0.076 0.000 0.717 392 E CB -1.231 28.479 29.700 0.018 0.000 1.210 392 E HN 0.703 nan 8.360 nan 0.000 0.381 393 G N -1.184 107.669 108.800 0.088 0.000 2.314 393 G HA2 -0.255 3.705 3.960 0.000 0.000 0.292 393 G HA3 -0.255 3.705 3.960 0.000 0.000 0.292 393 G C 0.814 175.729 174.900 0.024 0.000 1.059 393 G CA 0.772 45.913 45.100 0.068 0.000 0.982 393 G HN 0.801 nan 8.290 nan 0.000 0.505 394 A N -0.087 122.739 122.820 0.011 0.000 1.898 394 A HA 0.110 4.430 4.320 0.000 0.000 0.216 394 A C 2.044 179.616 177.584 -0.019 0.000 1.181 394 A CA 1.640 53.673 52.037 -0.006 0.000 0.620 394 A CB -0.051 18.946 19.000 -0.006 0.000 0.819 394 A HN 0.591 nan 8.150 nan 0.000 0.442 395 R N -0.850 119.637 120.500 -0.022 0.000 2.935 395 R HA 0.343 4.683 4.340 0.000 0.000 0.354 395 R C -0.863 175.412 176.300 -0.041 0.000 1.206 395 R CA -0.047 56.033 56.100 -0.033 0.000 1.082 395 R CB 0.723 31.005 30.300 -0.029 0.000 1.431 395 R HN 0.178 nan 8.270 nan 0.000 0.582 396 V N 2.305 122.192 119.914 -0.046 0.000 2.326 396 V HA 0.137 4.257 4.120 0.000 0.000 0.281 396 V C 0.747 176.777 176.094 -0.108 0.000 1.015 396 V CA -0.438 61.824 62.300 -0.062 0.000 0.823 396 V CB 1.125 32.921 31.823 -0.045 0.000 1.009 396 V HN 0.391 nan 8.190 nan 0.000 0.436 397 E N 5.755 125.855 120.200 -0.166 0.000 2.127 397 E HA 0.009 4.359 4.350 0.000 0.000 0.191 397 E C -0.493 175.834 176.600 -0.455 0.000 0.964 397 E CA 0.605 56.794 56.400 -0.352 0.000 0.832 397 E CB 0.104 29.501 29.700 -0.504 0.000 0.790 397 E HN 0.653 nan 8.360 nan 0.000 0.465 398 Y N 0.584 120.855 120.300 -0.048 0.000 2.409 398 Y HA 0.483 5.033 4.550 0.000 0.000 0.339 398 Y C -0.221 175.631 175.900 -0.080 0.000 1.033 398 Y CA -1.142 56.927 58.100 -0.053 0.000 1.094 398 Y CB 2.345 40.778 38.460 -0.045 0.000 1.210 398 Y HN -0.268 nan 8.280 nan 0.000 0.456 399 V N 5.086 125.052 119.914 0.087 0.000 2.483 399 V HA 0.440 4.560 4.120 0.000 0.000 0.297 399 V C -0.831 175.263 176.094 -0.000 0.000 1.027 399 V CA -0.729 61.567 62.300 -0.008 0.000 0.855 399 V CB 1.478 33.276 31.823 -0.041 0.000 0.995 399 V HN 0.499 nan 8.190 nan 0.000 0.424 400 L N 4.157 125.361 121.223 -0.032 0.000 2.334 400 L HA 0.687 5.027 4.340 0.000 0.000 0.276 400 L C -0.207 176.639 176.870 -0.041 0.000 1.014 400 L CA -0.037 54.784 54.840 -0.033 0.000 0.815 400 L CB 1.746 43.780 42.059 -0.041 0.000 1.268 400 L HN 0.664 nan 8.230 nan 0.000 0.428 401 Q N 2.862 122.644 119.800 -0.030 0.000 2.295 401 Q HA 0.398 4.738 4.340 0.000 0.000 0.259 401 Q C -0.904 175.081 176.000 -0.024 0.000 0.966 401 Q CA -0.672 55.115 55.803 -0.027 0.000 0.763 401 Q CB 1.061 29.785 28.738 -0.023 0.000 1.283 401 Q HN 0.515 nan 8.270 nan 0.000 0.445 402 R N 2.511 122.999 120.500 -0.021 0.000 3.251 402 R HA -0.317 4.023 4.340 0.000 0.000 0.249 402 R C 0.651 176.939 176.300 -0.020 0.000 0.949 402 R CA 0.747 56.836 56.100 -0.018 0.000 0.645 402 R CB -2.181 28.107 30.300 -0.020 0.000 1.065 402 R HN 1.160 nan 8.270 nan 0.000 0.452 403 G N -1.294 107.492 108.800 -0.023 0.000 2.812 403 G HA2 -0.398 3.562 3.960 0.000 0.000 0.219 403 G HA3 -0.398 3.562 3.960 0.000 0.000 0.219 403 G C 0.299 175.181 174.900 -0.030 0.000 1.275 403 G CA 0.540 45.625 45.100 -0.025 0.000 0.769 403 G HN 0.717 nan 8.290 nan 0.000 0.527 404 T N 1.375 115.913 114.554 -0.027 0.000 2.899 404 T HA 0.536 4.886 4.350 0.000 0.000 0.295 404 T C 0.413 175.100 174.700 -0.023 0.000 1.033 404 T CA 0.176 62.261 62.100 -0.026 0.000 1.084 404 T CB 1.009 69.864 68.868 -0.022 0.000 0.979 404 T HN 1.072 nan 8.240 nan 0.000 0.532 405 L N 5.253 126.464 121.223 -0.020 0.000 2.380 405 L HA 0.403 4.743 4.340 0.000 0.000 0.273 405 L C 0.595 177.471 176.870 0.009 0.000 1.138 405 L CA 0.396 55.234 54.840 -0.003 0.000 0.832 405 L CB 1.064 43.123 42.059 0.000 0.000 1.124 405 L HN 0.670 nan 8.230 nan 0.000 0.454 406 V N 1.713 121.639 119.914 0.020 0.000 3.350 406 V HA 0.364 4.484 4.120 0.000 0.000 0.246 406 V C 0.251 176.356 176.094 0.020 0.000 1.363 406 V CA -0.014 62.293 62.300 0.011 0.000 1.162 406 V CB -0.153 31.669 31.823 -0.001 0.000 0.947 406 V HN 0.601 nan 8.190 nan 0.000 0.454 407 K N 1.428 121.849 120.400 0.034 0.000 2.422 407 K HA 0.653 4.973 4.320 0.000 0.000 0.251 407 K C -1.166 175.459 176.600 0.041 0.000 0.933 407 K CA -0.431 55.870 56.287 0.023 0.000 0.798 407 K CB 3.193 35.694 32.500 0.002 0.000 1.238 407 K HN 0.094 nan 8.250 nan 0.000 0.428 408 R N 2.288 122.788 120.500 0.001 0.000 2.514 408 R HA 0.289 4.630 4.340 0.000 0.000 0.296 408 R C -1.054 175.184 176.300 -0.104 0.000 1.012 408 R CA -0.225 55.839 56.100 -0.060 0.000 0.897 408 R CB 1.548 31.869 30.300 0.034 0.000 1.184 408 R HN 0.717 nan 8.270 nan 0.000 0.440 409 Q N 0.000 119.689 119.800 -0.185 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.724 55.803 -0.132 0.000 1.022 409 Q CB 0.000 28.677 28.738 -0.102 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481