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 3feq_1_D DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA 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 0.000 174.691 174.700 -0.015 0.000 1.109 2 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.014 0.000 0.612 3 I N -0.199 120.361 120.570 -0.016 0.000 2.842 3 I HA 0.646 4.819 4.170 0.006 0.000 0.297 3 I C -1.897 174.208 176.117 -0.021 0.000 1.380 3 I CA -0.200 61.090 61.300 -0.017 0.000 1.018 3 I CB 2.280 40.271 38.000 -0.014 0.000 1.311 3 I HN 0.999 nan 8.210 nan 0.000 0.439 4 T N 5.529 120.070 114.554 -0.022 0.000 2.912 4 T HA 0.618 4.972 4.350 0.006 0.000 0.299 4 T C -1.397 173.290 174.700 -0.022 0.000 1.052 4 T CA -0.496 61.586 62.100 -0.030 0.000 0.996 4 T CB 2.095 70.938 68.868 -0.042 0.000 1.070 4 T HN 0.301 nan 8.240 nan 0.000 0.465 5 V N 4.059 123.960 119.914 -0.020 0.000 2.483 5 V HA 0.389 4.513 4.120 0.006 0.000 0.297 5 V C -0.852 175.234 176.094 -0.015 0.000 1.027 5 V CA -0.993 61.309 62.300 0.004 0.000 0.855 5 V CB 1.644 33.489 31.823 0.036 0.000 0.995 5 V HN 0.652 nan 8.190 nan 0.000 0.424 6 L N 5.947 127.157 121.223 -0.022 0.000 2.315 6 L HA 0.399 4.742 4.340 0.006 0.000 0.283 6 L C 0.435 177.288 176.870 -0.027 0.000 1.089 6 L CA 0.294 55.103 54.840 -0.052 0.000 0.833 6 L CB 0.652 42.671 42.059 -0.067 0.000 1.170 6 L HN 0.802 nan 8.230 nan 0.000 0.442 7 Q N 1.262 121.028 119.800 -0.056 0.000 2.307 7 Q HA 0.611 4.955 4.340 0.006 0.000 0.262 7 Q C 0.664 176.467 176.000 -0.329 0.000 0.961 7 Q CA -0.362 55.350 55.803 -0.151 0.000 0.882 7 Q CB 1.689 30.468 28.738 0.067 0.000 1.264 7 Q HN 0.795 nan 8.270 nan 0.000 0.446 8 G N 2.062 110.450 108.800 -0.686 0.000 2.143 8 G HA2 -0.252 3.711 3.960 0.006 0.000 0.248 8 G HA3 -0.252 3.711 3.960 0.006 0.000 0.248 8 G C 0.376 175.120 174.900 -0.260 0.000 0.991 8 G CA -0.236 44.639 45.100 -0.375 0.000 0.689 8 G HN 0.999 nan 8.290 nan 0.000 0.522 9 G N -0.545 108.132 108.800 -0.205 0.000 2.634 9 G HA2 0.465 4.429 3.960 0.006 0.000 0.255 9 G HA3 0.465 4.429 3.960 0.006 0.000 0.255 9 G C -0.005 174.816 174.900 -0.132 0.000 1.205 9 G CA -0.259 44.752 45.100 -0.148 0.000 0.884 9 G HN 0.515 nan 8.290 nan 0.000 0.549 10 N N -0.186 118.440 118.700 -0.124 0.000 2.469 10 N HA 0.318 5.062 4.740 0.006 0.000 0.239 10 N C -0.475 174.987 175.510 -0.079 0.000 1.053 10 N CA -0.551 52.438 53.050 -0.100 0.000 0.937 10 N CB 1.985 40.410 38.487 -0.103 0.000 1.163 10 N HN 0.178 nan 8.380 nan 0.000 0.509 11 V N 3.186 123.050 119.914 -0.083 0.000 2.508 11 V HA 0.027 4.151 4.120 0.006 0.000 0.281 11 V C 0.593 176.633 176.094 -0.091 0.000 1.041 11 V CA -0.420 61.834 62.300 -0.077 0.000 1.016 11 V CB 0.795 32.576 31.823 -0.069 0.000 0.984 11 V HN 0.627 nan 8.190 nan 0.000 0.478 12 L N 4.772 125.961 121.223 -0.058 0.000 2.369 12 L HA 0.304 4.648 4.340 0.006 0.000 0.279 12 L C 0.028 176.874 176.870 -0.040 0.000 1.108 12 L CA -0.002 54.810 54.840 -0.046 0.000 0.852 12 L CB 0.811 42.855 42.059 -0.026 0.000 1.169 12 L HN 0.735 nan 8.230 nan 0.000 0.452 13 D N 3.301 123.672 120.400 -0.047 0.000 2.280 13 D HA 0.254 4.897 4.640 0.006 0.000 0.236 13 D C 0.678 176.970 176.300 -0.013 0.000 1.082 13 D CA -0.421 53.561 54.000 -0.031 0.000 0.834 13 D CB 1.414 42.187 40.800 -0.044 0.000 1.100 13 D HN 0.422 nan 8.370 nan 0.000 0.486 14 L N 3.206 124.430 121.223 0.003 0.000 2.298 14 L HA 0.064 4.407 4.340 0.006 0.000 0.209 14 L C 2.198 179.079 176.870 0.019 0.000 1.084 14 L CA 0.325 55.174 54.840 0.015 0.000 0.816 14 L CB -0.114 41.962 42.059 0.029 0.000 0.967 14 L HN 0.553 nan 8.230 nan 0.000 0.460 15 E N 0.388 120.598 120.200 0.017 0.000 2.427 15 E HA -0.214 4.139 4.350 0.006 0.000 0.196 15 E C 1.873 178.482 176.600 0.014 0.000 1.028 15 E CA 0.665 57.077 56.400 0.020 0.000 0.864 15 E CB 0.057 29.770 29.700 0.021 0.000 0.813 15 E HN 0.454 nan 8.360 nan 0.000 0.514 16 R N 0.394 120.898 120.500 0.008 0.000 2.225 16 R HA 0.135 4.479 4.340 0.006 0.000 0.194 16 R C 0.869 177.170 176.300 0.002 0.000 0.949 16 R CA 1.014 57.116 56.100 0.004 0.000 1.088 16 R CB 0.478 30.776 30.300 -0.004 0.000 1.106 16 R HN 0.174 nan 8.270 nan 0.000 0.566 17 G N 0.966 109.766 108.800 -0.000 0.000 2.325 17 G HA2 -0.155 3.808 3.960 0.006 0.000 0.248 17 G HA3 -0.155 3.808 3.960 0.006 0.000 0.248 17 G C -0.581 174.314 174.900 -0.008 0.000 1.108 17 G CA 0.122 45.222 45.100 0.000 0.000 0.881 17 G HN 0.588 nan 8.290 nan 0.000 0.494 18 V N -2.925 116.978 119.914 -0.018 0.000 3.087 18 V HA 0.787 4.911 4.120 0.006 0.000 0.306 18 V C 0.526 176.593 176.094 -0.046 0.000 1.187 18 V CA -1.709 60.575 62.300 -0.027 0.000 0.999 18 V CB 1.923 33.732 31.823 -0.025 0.000 1.049 18 V HN 0.354 nan 8.190 nan 0.000 0.431 19 L N 2.795 123.988 121.223 -0.048 0.000 2.417 19 L HA 0.463 4.806 4.340 0.006 0.000 0.268 19 L C -0.526 176.283 176.870 -0.102 0.000 1.158 19 L CA -0.306 54.492 54.840 -0.071 0.000 0.819 19 L CB 0.950 42.975 42.059 -0.056 0.000 1.112 19 L HN 0.544 nan 8.230 nan 0.000 0.458 20 L N 3.846 124.962 121.223 -0.179 0.000 2.301 20 L HA 0.289 4.632 4.340 0.006 0.000 0.278 20 L C 0.160 176.934 176.870 -0.160 0.000 1.022 20 L CA -0.750 53.903 54.840 -0.312 0.000 0.854 20 L CB 1.030 42.617 42.059 -0.788 0.000 1.226 20 L HN 0.602 nan 8.230 nan 0.000 0.429 21 E N 3.281 123.500 120.200 0.033 0.000 2.383 21 E HA 0.023 4.377 4.350 0.006 0.000 0.264 21 E C -0.006 176.760 176.600 0.277 0.000 1.050 21 E CA -0.487 55.959 56.400 0.076 0.000 0.896 21 E CB 0.342 30.095 29.700 0.088 0.000 0.982 21 E HN 0.549 nan 8.360 nan 0.000 0.424 22 H N 0.461 119.591 119.070 0.099 0.000 2.655 22 H HA -0.166 4.393 4.556 0.006 0.000 0.313 22 H C -0.746 174.616 175.328 0.057 0.000 1.141 22 H CA 1.027 57.090 56.048 0.025 0.000 1.138 22 H CB -1.878 27.892 29.762 0.012 0.000 1.446 22 H HN 0.488 nan 8.280 nan 0.000 0.415 23 H N 0.430 119.500 119.070 0.001 0.000 2.517 23 H HA 0.274 4.833 4.556 0.005 0.000 0.317 23 H C 0.831 176.151 175.328 -0.013 0.000 1.080 23 H CA -0.305 55.772 56.048 0.049 0.000 1.301 23 H CB 0.669 30.455 29.762 0.040 0.000 1.425 23 H HN 0.317 nan 8.280 nan 0.000 0.471 24 H N 1.364 120.475 119.070 0.069 0.000 2.551 24 H HA 0.327 4.887 4.556 0.006 0.000 0.358 24 H C -0.230 175.123 175.328 0.041 0.000 1.151 24 H CA -0.497 55.573 56.048 0.036 0.000 1.374 24 H CB 2.114 31.879 29.762 0.005 0.000 1.473 24 H HN 0.302 nan 8.280 nan 0.000 0.574 25 V N 2.839 122.829 119.914 0.127 0.000 2.588 25 V HA 0.314 4.438 4.120 0.006 0.000 0.304 25 V C -0.986 175.137 176.094 0.049 0.000 1.042 25 V CA -0.603 61.742 62.300 0.075 0.000 0.877 25 V CB 1.562 33.408 31.823 0.039 0.000 0.996 25 V HN 0.445 nan 8.190 nan 0.000 0.425 26 V N 7.934 127.870 119.914 0.036 0.000 2.357 26 V HA 0.528 4.651 4.120 0.006 0.000 0.284 26 V C -0.192 175.904 176.094 0.004 0.000 1.018 26 V CA -0.577 61.733 62.300 0.017 0.000 0.841 26 V CB 1.340 33.169 31.823 0.010 0.000 0.991 26 V HN 0.715 nan 8.190 nan 0.000 0.437 27 I N 3.710 124.277 120.570 -0.005 0.000 2.321 27 I HA 0.451 4.625 4.170 0.006 0.000 0.291 27 I C -0.300 175.811 176.117 -0.012 0.000 0.998 27 I CA -0.286 61.007 61.300 -0.011 0.000 1.227 27 I CB 1.285 39.273 38.000 -0.021 0.000 1.368 27 I HN 0.618 nan 8.210 nan 0.000 0.466 28 D N 4.235 124.629 120.400 -0.009 0.000 2.408 28 D HA 0.580 5.224 4.640 0.006 0.000 0.243 28 D C 0.750 177.044 176.300 -0.009 0.000 1.075 28 D CA 0.583 54.577 54.000 -0.009 0.000 0.832 28 D CB 1.666 42.462 40.800 -0.007 0.000 1.162 28 D HN 0.821 nan 8.370 nan 0.000 0.515 29 G N 4.086 112.879 108.800 -0.011 0.000 2.620 29 G HA2 -0.352 3.611 3.960 0.006 0.000 0.315 29 G HA3 -0.352 3.611 3.960 0.006 0.000 0.315 29 G C 0.737 175.629 174.900 -0.013 0.000 1.179 29 G CA 0.577 45.670 45.100 -0.011 0.000 0.971 29 G HN 0.586 nan 8.290 nan 0.000 0.544 30 E N 1.003 121.197 120.200 -0.011 0.000 2.526 30 E HA 0.200 4.554 4.350 0.006 0.000 0.208 30 E C 0.952 177.547 176.600 -0.008 0.000 0.997 30 E CA -0.159 56.234 56.400 -0.011 0.000 0.961 30 E CB 0.580 30.273 29.700 -0.011 0.000 1.030 30 E HN 0.374 nan 8.360 nan 0.000 0.483 31 R N 0.844 121.341 120.500 -0.005 0.000 2.778 31 R HA 0.474 4.818 4.340 0.006 0.000 0.277 31 R C -0.237 176.062 176.300 -0.001 0.000 0.977 31 R CA -0.818 55.282 56.100 -0.001 0.000 0.950 31 R CB 1.982 32.284 30.300 0.003 0.000 1.165 31 R HN -0.036 nan 8.270 nan 0.000 0.474 32 I N 2.523 123.094 120.570 0.002 0.000 2.452 32 I HA -0.015 4.159 4.170 0.006 0.000 0.287 32 I C 1.182 177.304 176.117 0.008 0.000 1.079 32 I CA -0.025 61.278 61.300 0.005 0.000 1.387 32 I CB 1.216 39.221 38.000 0.008 0.000 1.404 32 I HN 0.440 nan 8.210 nan 0.000 0.522 33 V N 4.408 124.327 119.914 0.007 0.000 3.263 33 V HA 0.175 4.299 4.120 0.006 0.000 0.248 33 V C 0.613 176.713 176.094 0.011 0.000 1.145 33 V CA 0.625 62.929 62.300 0.007 0.000 1.107 33 V CB -0.206 31.618 31.823 0.002 0.000 0.797 33 V HN 0.747 nan 8.190 nan 0.000 0.467 34 E N -0.459 119.751 120.200 0.017 0.000 2.352 34 E HA 0.549 4.903 4.350 0.006 0.000 0.280 34 E C -2.042 174.584 176.600 0.043 0.000 0.930 34 E CA -0.284 56.130 56.400 0.024 0.000 0.765 34 E CB 3.131 32.838 29.700 0.012 0.000 1.219 34 E HN -0.001 nan 8.360 nan 0.000 0.434 35 V N 2.511 122.461 119.914 0.060 0.000 2.419 35 V HA 0.549 4.673 4.120 0.006 0.000 0.287 35 V C -0.347 175.827 176.094 0.133 0.000 1.017 35 V CA -0.496 61.865 62.300 0.103 0.000 0.844 35 V CB 1.520 33.404 31.823 0.101 0.000 1.011 35 V HN 0.694 nan 8.190 nan 0.000 0.429 36 T N 1.480 116.106 114.554 0.121 0.000 2.853 36 T HA 0.399 4.753 4.350 0.006 0.000 0.311 36 T C -0.626 174.005 174.700 -0.115 0.000 1.307 36 T CA -0.274 61.836 62.100 0.017 0.000 1.019 36 T CB 2.072 70.929 68.868 -0.018 0.000 1.264 36 T HN 0.774 nan 8.240 nan 0.000 0.497 37 D N 1.219 121.406 120.400 -0.354 0.000 2.388 37 D HA 0.146 4.790 4.640 0.006 0.000 0.221 37 D C 0.444 176.684 176.300 -0.100 0.000 1.133 37 D CA -0.497 53.321 54.000 -0.304 0.000 0.831 37 D CB 0.080 40.533 40.800 -0.578 0.000 0.962 37 D HN 0.081 nan 8.370 nan 0.000 0.502 38 R N 2.265 122.696 120.500 -0.115 0.000 2.640 38 R HA 0.168 4.512 4.340 0.006 0.000 0.270 38 R C -2.134 174.024 176.300 -0.237 0.000 1.024 38 R CA -1.868 54.150 56.100 -0.137 0.000 1.085 38 R CB -0.671 29.548 30.300 -0.135 0.000 0.963 38 R HN 0.162 nan 8.270 nan 0.000 0.426 39 P HA -0.055 nan 4.420 nan 0.000 0.260 39 P C -0.176 176.969 177.300 -0.258 0.000 1.185 39 P CA 0.244 63.218 63.100 -0.210 0.000 0.763 39 P CB 0.580 32.222 31.700 -0.097 0.000 0.776 40 V N 3.300 122.989 119.914 -0.376 0.000 2.732 40 V HA 0.206 4.330 4.120 0.006 0.000 0.310 40 V C 0.200 176.205 176.094 -0.149 0.000 1.053 40 V CA -0.455 61.684 62.300 -0.269 0.000 0.957 40 V CB 1.805 33.429 31.823 -0.331 0.000 1.018 40 V HN 0.346 nan 8.190 nan 0.000 0.452 41 D N 3.920 124.261 120.400 -0.099 0.000 2.631 41 D HA 0.268 4.911 4.640 0.006 0.000 0.227 41 D C -0.060 176.212 176.300 -0.047 0.000 1.146 41 D CA -0.222 53.740 54.000 -0.063 0.000 1.009 41 D CB -0.244 40.526 40.800 -0.051 0.000 1.057 41 D HN 0.457 nan 8.370 nan 0.000 0.509 42 L N 0.988 122.185 121.223 -0.042 0.000 2.334 42 L HA 0.544 4.888 4.340 0.006 0.000 0.286 42 L C -1.667 175.191 176.870 -0.021 0.000 1.108 42 L CA -1.037 53.786 54.840 -0.027 0.000 0.875 42 L CB 0.621 42.670 42.059 -0.018 0.000 1.246 42 L HN -0.001 nan 8.230 nan 0.000 0.439 43 P HA 0.100 nan 4.420 nan 0.000 0.212 43 P C 0.303 177.594 177.300 -0.013 0.000 1.163 43 P CA 0.695 63.786 63.100 -0.016 0.000 0.892 43 P CB 0.283 31.974 31.700 -0.016 0.000 0.766 44 N N -0.715 117.976 118.700 -0.014 0.000 2.389 44 N HA 0.411 5.154 4.740 0.006 0.000 0.260 44 N C -0.687 174.814 175.510 -0.014 0.000 1.191 44 N CA -0.231 52.811 53.050 -0.013 0.000 0.885 44 N CB 0.298 38.778 38.487 -0.012 0.000 1.162 44 N HN 0.140 nan 8.380 nan 0.000 0.512 45 A N 0.297 123.108 122.820 -0.015 0.000 2.309 45 A HA 0.362 4.686 4.320 0.006 0.000 0.298 45 A C 0.094 177.667 177.584 -0.019 0.000 1.165 45 A CA -0.404 51.623 52.037 -0.016 0.000 0.821 45 A CB 0.542 19.533 19.000 -0.014 0.000 1.102 45 A HN 0.226 nan 8.150 nan 0.000 0.500 46 Q N 1.335 121.120 119.800 -0.025 0.000 2.337 46 Q HA 0.385 4.729 4.340 0.006 0.000 0.255 46 Q C 0.245 176.221 176.000 -0.041 0.000 1.205 46 Q CA 0.515 56.297 55.803 -0.034 0.000 0.902 46 Q CB 0.251 28.963 28.738 -0.042 0.000 1.433 46 Q HN 0.792 nan 8.270 nan 0.000 0.471 47 A N 4.718 127.519 122.820 -0.032 0.000 2.451 47 A HA 0.398 4.722 4.320 0.006 0.000 0.266 47 A C -0.435 177.110 177.584 -0.066 0.000 1.119 47 A CA -0.239 51.779 52.037 -0.031 0.000 0.786 47 A CB 0.064 19.058 19.000 -0.009 0.000 1.061 47 A HN 0.776 nan 8.150 nan 0.000 0.503 48 I N 2.310 122.818 120.570 -0.104 0.000 2.389 48 I HA 0.182 4.356 4.170 0.006 0.000 0.288 48 I C -0.479 175.556 176.117 -0.136 0.000 0.999 48 I CA -0.463 60.729 61.300 -0.179 0.000 1.129 48 I CB 1.866 39.654 38.000 -0.354 0.000 1.288 48 I HN 0.652 nan 8.210 nan 0.000 0.444 49 D N 5.731 126.082 120.400 -0.082 0.000 2.325 49 D HA 0.285 4.929 4.640 0.006 0.000 0.251 49 D C -0.265 176.023 176.300 -0.019 0.000 1.196 49 D CA 0.046 54.025 54.000 -0.035 0.000 0.866 49 D CB 0.983 41.783 40.800 0.000 0.000 1.101 49 D HN 0.227 nan 8.370 nan 0.000 0.476 50 V N 5.368 125.257 119.914 -0.042 0.000 2.699 50 V HA 0.173 4.296 4.120 0.006 0.000 0.311 50 V C 0.253 176.314 176.094 -0.056 0.000 1.160 50 V CA -0.833 61.452 62.300 -0.025 0.000 1.313 50 V CB -0.405 31.389 31.823 -0.048 0.000 1.553 50 V HN 0.512 nan 8.190 nan 0.000 0.630 51 R N 1.793 122.272 120.500 -0.036 0.000 2.389 51 R HA 0.363 4.707 4.340 0.006 0.000 0.295 51 R C 0.753 177.015 176.300 -0.064 0.000 1.075 51 R CA 0.755 56.823 56.100 -0.054 0.000 1.005 51 R CB 0.447 30.752 30.300 0.008 0.000 0.987 51 R HN 0.813 nan 8.270 nan 0.000 0.452 52 G N 2.921 111.641 108.800 -0.134 0.000 2.323 52 G HA2 -0.325 3.639 3.960 0.006 0.000 0.292 52 G HA3 -0.325 3.639 3.960 0.006 0.000 0.292 52 G C -0.571 174.287 174.900 -0.070 0.000 1.040 52 G CA 0.868 45.906 45.100 -0.104 0.000 0.942 52 G HN 0.686 nan 8.290 nan 0.000 0.506 53 K N -0.406 119.949 120.400 -0.076 0.000 2.464 53 K HA 0.472 4.796 4.320 0.006 0.000 0.253 53 K C -0.159 176.408 176.600 -0.054 0.000 0.933 53 K CA -0.726 55.533 56.287 -0.045 0.000 0.801 53 K CB 1.620 34.114 32.500 -0.010 0.000 1.271 53 K HN 0.060 nan 8.250 nan 0.000 0.430 54 T N 1.565 116.092 114.554 -0.044 0.000 2.814 54 T HA 0.126 4.479 4.350 0.006 0.000 0.297 54 T C -0.588 174.089 174.700 -0.038 0.000 0.956 54 T CA -0.385 61.688 62.100 -0.046 0.000 1.123 54 T CB 0.767 69.610 68.868 -0.042 0.000 0.902 54 T HN 0.289 nan 8.240 nan 0.000 0.528 55 V N 7.151 127.039 119.914 -0.043 0.000 2.357 55 V HA 0.778 4.902 4.120 0.006 0.000 0.284 55 V C -0.523 175.547 176.094 -0.041 0.000 1.018 55 V CA -0.845 61.431 62.300 -0.040 0.000 0.841 55 V CB 0.635 32.434 31.823 -0.039 0.000 0.991 55 V HN 0.949 nan 8.190 nan 0.000 0.437 56 M N 6.076 125.648 119.600 -0.047 0.000 2.691 56 M HA 0.829 5.313 4.480 0.006 0.000 0.293 56 M C -2.974 173.291 176.300 -0.058 0.000 1.259 56 M CA -2.265 53.017 55.300 -0.030 0.000 0.827 56 M CB 2.061 34.667 32.600 0.010 0.000 1.753 56 M HN 0.255 nan 8.290 nan 0.000 0.465 57 P HA 0.190 nan 4.420 nan 0.000 0.271 57 P C 0.068 177.298 177.300 -0.118 0.000 1.216 57 P CA 0.190 63.266 63.100 -0.041 0.000 0.771 57 P CB 0.314 32.024 31.700 0.016 0.000 0.864 58 G N 2.766 111.448 108.800 -0.197 0.000 2.474 58 G HA2 0.112 4.075 3.960 0.006 0.000 0.233 58 G HA3 0.112 4.075 3.960 0.006 0.000 0.233 58 G C -0.509 174.275 174.900 -0.193 0.000 1.278 58 G CA -0.270 44.612 45.100 -0.365 0.000 0.861 58 G HN 0.236 nan 8.290 nan 0.000 0.567 59 F N 0.152 120.013 119.950 -0.149 0.000 2.418 59 F HA 0.477 5.008 4.527 0.005 0.000 0.341 59 F C 0.880 176.713 175.800 0.054 0.000 1.120 59 F CA -1.136 56.765 58.000 -0.164 0.000 1.232 59 F CB 0.784 39.423 39.000 -0.601 0.000 1.175 59 F HN 0.161 nan 8.300 nan 0.000 0.569 60 I N 2.043 122.803 120.570 0.317 0.000 2.436 60 I HA 0.228 4.402 4.170 0.006 0.000 0.289 60 I C -0.757 175.558 176.117 0.330 0.000 1.010 60 I CA -0.718 60.768 61.300 0.309 0.000 1.098 60 I CB 1.672 39.791 38.000 0.198 0.000 1.266 60 I HN 0.411 nan 8.210 nan 0.000 0.434 61 D N 5.032 125.638 120.400 0.343 0.000 2.233 61 D HA 0.270 4.913 4.640 0.006 0.000 0.240 61 D C 0.086 176.499 176.300 0.189 0.000 1.074 61 D CA -0.404 53.772 54.000 0.293 0.000 0.838 61 D CB 1.904 42.724 40.800 0.034 0.000 1.124 61 D HN 0.565 nan 8.370 nan 0.000 0.475 62 C N 2.559 121.969 119.300 0.183 0.000 2.791 62 C HA 0.196 4.659 4.460 0.006 0.000 0.270 62 C C 0.638 175.681 174.990 0.088 0.000 1.257 62 C CA -0.193 58.883 59.018 0.096 0.000 1.699 62 C CB -1.624 26.151 27.740 0.057 0.000 1.904 62 C HN 0.590 nan 8.230 nan 0.000 0.603 63 H N 0.056 119.106 119.070 -0.033 0.000 3.221 63 H HA 0.475 5.035 4.556 0.006 0.000 0.324 63 H C -0.812 174.458 175.328 -0.097 0.000 1.212 63 H CA -0.151 55.841 56.048 -0.094 0.000 1.624 63 H CB 0.603 30.294 29.762 -0.117 0.000 1.899 63 H HN 0.088 nan 8.280 nan 0.000 0.538 64 V N 1.124 120.962 119.914 -0.126 0.000 3.001 64 V HA 0.552 4.676 4.120 0.006 0.000 0.314 64 V C -0.573 175.345 176.094 -0.292 0.000 1.099 64 V CA -0.826 61.439 62.300 -0.059 0.000 0.989 64 V CB 2.402 34.222 31.823 -0.005 0.000 1.040 64 V HN 0.734 nan 8.190 nan 0.000 0.434 65 H N 1.877 121.022 119.070 0.125 0.000 2.683 65 H HA 0.396 4.956 4.556 0.007 0.000 0.270 65 H C 0.738 176.143 175.328 0.128 0.000 1.201 65 H CA -0.225 55.877 56.048 0.091 0.000 1.277 65 H CB 1.821 31.635 29.762 0.086 0.000 1.400 65 H HN 0.559 nan 8.280 nan 0.000 0.504 66 V N 2.942 122.912 119.914 0.094 0.000 2.568 66 V HA -0.233 3.891 4.120 0.006 0.000 0.253 66 V C 2.046 178.162 176.094 0.038 0.000 1.072 66 V CA 1.610 63.918 62.300 0.013 0.000 1.084 66 V CB -0.183 31.617 31.823 -0.038 0.000 0.676 66 V HN 0.563 nan 8.190 nan 0.000 0.469 67 L N -0.216 121.055 121.223 0.081 0.000 2.607 67 L HA 0.332 4.675 4.340 0.006 0.000 0.228 67 L C 1.477 178.389 176.870 0.069 0.000 1.123 67 L CA 0.183 55.057 54.840 0.057 0.000 0.890 67 L CB -0.136 41.948 42.059 0.041 0.000 1.103 67 L HN 0.213 nan 8.230 nan 0.000 0.468 68 A N 0.077 122.974 122.820 0.128 0.000 2.981 68 A HA 0.177 4.501 4.320 0.006 0.000 0.280 68 A C 1.460 179.096 177.584 0.088 0.000 1.743 68 A CA 0.323 52.405 52.037 0.074 0.000 1.430 68 A CB -0.395 18.636 19.000 0.052 0.000 1.085 68 A HN 0.384 nan 8.150 nan 0.000 0.597 69 S N 0.918 116.639 115.700 0.034 0.000 2.562 69 S HA 0.042 4.516 4.470 0.006 0.000 0.221 69 S C 0.414 174.994 174.600 -0.033 0.000 0.975 69 S CA 0.218 58.429 58.200 0.018 0.000 0.918 69 S CB -0.581 62.617 63.200 -0.004 0.000 0.772 69 S HN 0.948 nan 8.310 nan 0.000 0.531 70 N N -1.476 117.192 118.700 -0.053 0.000 2.494 70 N HA 0.644 5.388 4.740 0.006 0.000 0.270 70 N C 0.273 175.734 175.510 -0.083 0.000 1.285 70 N CA -0.401 52.602 53.050 -0.077 0.000 0.812 70 N CB 0.926 39.374 38.487 -0.065 0.000 1.557 70 N HN -0.077 nan 8.380 nan 0.000 0.487 71 A N 0.561 123.343 122.820 -0.062 0.000 2.066 71 A HA -0.057 4.267 4.320 0.006 0.000 0.218 71 A C 0.816 178.364 177.584 -0.060 0.000 1.157 71 A CA 0.708 52.721 52.037 -0.040 0.000 0.670 71 A CB -0.655 18.373 19.000 0.046 0.000 0.804 71 A HN 0.720 nan 8.150 nan 0.000 0.453 72 N N 1.092 119.748 118.700 -0.072 0.000 2.482 72 N HA 0.230 4.973 4.740 0.006 0.000 0.242 72 N C 0.602 175.972 175.510 -0.235 0.000 1.100 72 N CA -0.056 52.924 53.050 -0.117 0.000 0.946 72 N CB 0.488 38.930 38.487 -0.075 0.000 1.227 72 N HN 0.357 nan 8.380 nan 0.000 0.508 73 L N 2.330 123.324 121.223 -0.382 0.000 2.201 73 L HA -0.031 4.313 4.340 0.006 0.000 0.212 73 L C 2.292 178.634 176.870 -0.881 0.000 1.105 73 L CA 0.951 55.409 54.840 -0.637 0.000 0.775 73 L CB -0.320 41.250 42.059 -0.814 0.000 0.913 73 L HN 0.538 nan 8.230 nan 0.000 0.440 74 G N -0.312 107.997 108.800 -0.819 0.000 2.480 74 G HA2 -0.265 3.699 3.960 0.006 0.000 0.216 74 G HA3 -0.265 3.699 3.960 0.006 0.000 0.216 74 G C 1.609 176.372 174.900 -0.227 0.000 1.200 74 G CA 0.994 45.826 45.100 -0.447 0.000 0.782 74 G HN 0.191 nan 8.290 nan 0.000 0.554 75 V N 0.880 120.691 119.914 -0.172 0.000 2.667 75 V HA -0.108 4.016 4.120 0.006 0.000 0.252 75 V C 2.507 178.541 176.094 -0.101 0.000 1.065 75 V CA 2.128 64.368 62.300 -0.100 0.000 1.083 75 V CB -0.411 31.373 31.823 -0.065 0.000 0.692 75 V HN 0.474 nan 8.190 nan 0.000 0.468 76 N N 0.365 118.977 118.700 -0.146 0.000 2.104 76 N HA -0.143 4.601 4.740 0.006 0.000 0.190 76 N C 1.758 177.215 175.510 -0.089 0.000 1.024 76 N CA 1.629 54.608 53.050 -0.118 0.000 0.853 76 N CB -0.308 38.087 38.487 -0.153 0.000 1.008 76 N HN 0.484 nan 8.380 nan 0.000 0.424 77 A N -0.833 121.918 122.820 -0.116 0.000 2.015 77 A HA -0.087 4.237 4.320 0.006 0.000 0.219 77 A C 2.029 179.607 177.584 -0.009 0.000 1.163 77 A CA 1.877 53.889 52.037 -0.042 0.000 0.646 77 A CB -0.834 18.155 19.000 -0.018 0.000 0.806 77 A HN 0.546 nan 8.150 nan 0.000 0.448 78 T N -1.386 113.153 114.554 -0.025 0.000 3.060 78 T HA 0.150 4.504 4.350 0.006 0.000 0.249 78 T C 0.802 175.498 174.700 -0.007 0.000 1.079 78 T CA 0.186 62.282 62.100 -0.006 0.000 1.013 78 T CB -0.422 68.441 68.868 -0.009 0.000 0.975 78 T HN 0.710 nan 8.240 nan 0.000 0.518 79 Q N 1.864 121.655 119.800 -0.015 0.000 2.352 79 Q HA 0.371 4.714 4.340 0.006 0.000 0.260 79 Q C -2.796 173.203 176.000 -0.001 0.000 0.976 79 Q CA -2.082 53.715 55.803 -0.011 0.000 0.881 79 Q CB -0.070 28.656 28.738 -0.019 0.000 1.235 79 Q HN 0.073 nan 8.270 nan 0.000 0.419 80 P HA -0.009 nan 4.420 nan 0.000 0.266 80 P C -0.159 177.145 177.300 0.007 0.000 1.195 80 P CA -0.204 62.899 63.100 0.005 0.000 0.768 80 P CB 0.572 32.273 31.700 0.002 0.000 0.838 81 N N 2.511 121.220 118.700 0.014 0.000 2.037 81 N HA -0.182 4.562 4.740 0.006 0.000 0.196 81 N C 1.539 177.056 175.510 0.012 0.000 1.034 81 N CA 1.158 54.219 53.050 0.019 0.000 0.861 81 N CB -0.851 37.652 38.487 0.026 0.000 1.039 81 N HN 0.477 nan 8.380 nan 0.000 0.427 82 I N 0.565 121.140 120.570 0.008 0.000 2.286 82 I HA -0.157 4.017 4.170 0.006 0.000 0.248 82 I C 1.751 177.867 176.117 -0.002 0.000 1.115 82 I CA 1.113 62.415 61.300 0.003 0.000 1.392 82 I CB -0.528 37.473 38.000 0.002 0.000 1.065 82 I HN 0.106 nan 8.210 nan 0.000 0.418 83 L N 1.239 122.461 121.223 -0.003 0.000 2.056 83 L HA -0.140 4.204 4.340 0.006 0.000 0.207 83 L C 2.973 179.838 176.870 -0.008 0.000 1.078 83 L CA 1.379 56.215 54.840 -0.007 0.000 0.749 83 L CB -0.665 41.389 42.059 -0.007 0.000 0.901 83 L HN 0.313 nan 8.230 nan 0.000 0.433 84 A N -0.053 122.764 122.820 -0.005 0.000 1.917 84 A HA -0.277 4.047 4.320 0.006 0.000 0.219 84 A C 2.452 180.033 177.584 -0.005 0.000 1.182 84 A CA 2.064 54.099 52.037 -0.004 0.000 0.633 84 A CB -0.735 18.267 19.000 0.003 0.000 0.819 84 A HN 0.474 nan 8.150 nan 0.000 0.448 85 A N -0.130 122.687 122.820 -0.004 0.000 1.855 85 A HA -0.008 4.316 4.320 0.006 0.000 0.215 85 A C 1.979 179.552 177.584 -0.018 0.000 1.191 85 A CA 1.561 53.592 52.037 -0.009 0.000 0.613 85 A CB -0.555 18.442 19.000 -0.006 0.000 0.829 85 A HN 0.374 nan 8.150 nan 0.000 0.442 86 I N 0.241 120.801 120.570 -0.017 0.000 2.145 86 I HA -0.257 3.917 4.170 0.006 0.000 0.244 86 I C 2.421 178.523 176.117 -0.026 0.000 1.075 86 I CA 1.613 62.900 61.300 -0.021 0.000 1.332 86 I CB -1.335 36.654 38.000 -0.017 0.000 1.033 86 I HN 0.343 nan 8.210 nan 0.000 0.410 87 R N 0.402 120.887 120.500 -0.024 0.000 2.285 87 R HA -0.068 4.275 4.340 0.006 0.000 0.213 87 R C 2.234 178.514 176.300 -0.034 0.000 1.068 87 R CA 1.183 57.267 56.100 -0.028 0.000 1.004 87 R CB -0.238 30.048 30.300 -0.023 0.000 0.873 87 R HN 0.522 nan 8.270 nan 0.000 0.467 88 S N 0.146 115.825 115.700 -0.034 0.000 2.496 88 S HA 0.030 4.504 4.470 0.006 0.000 0.224 88 S C 1.929 176.490 174.600 -0.065 0.000 0.996 88 S CA 0.179 58.350 58.200 -0.048 0.000 0.927 88 S CB -0.041 63.137 63.200 -0.037 0.000 0.774 88 S HN 0.197 nan 8.310 nan 0.000 0.524 89 L N 1.336 122.526 121.223 -0.054 0.000 2.005 89 L HA 0.033 4.377 4.340 0.006 0.000 0.207 89 L C -0.498 176.336 176.870 -0.060 0.000 1.072 89 L CA 1.348 56.155 54.840 -0.054 0.000 0.744 89 L CB -1.962 40.071 42.059 -0.044 0.000 0.895 89 L HN 0.248 nan 8.230 nan 0.000 0.433 90 P HA -0.204 nan 4.420 nan 0.000 0.216 90 P C 1.828 179.077 177.300 -0.085 0.000 1.154 90 P CA 1.630 64.693 63.100 -0.061 0.000 0.865 90 P CB 0.013 31.679 31.700 -0.056 0.000 0.789 91 I N -1.637 118.862 120.570 -0.117 0.000 2.179 91 I HA -0.240 3.933 4.170 0.006 0.000 0.242 91 I C 2.360 178.366 176.117 -0.185 0.000 1.088 91 I CA 1.371 62.545 61.300 -0.209 0.000 1.357 91 I CB -0.583 37.238 38.000 -0.298 0.000 1.051 91 I HN -0.105 nan 8.210 nan 0.000 0.409 92 L N -0.002 121.144 121.223 -0.129 0.000 2.056 92 L HA -0.244 4.100 4.340 0.006 0.000 0.207 92 L C 2.240 179.075 176.870 -0.058 0.000 1.078 92 L CA 1.360 56.144 54.840 -0.093 0.000 0.749 92 L CB -0.565 41.448 42.059 -0.077 0.000 0.901 92 L HN 0.247 nan 8.230 nan 0.000 0.433 93 D N -0.057 120.310 120.400 -0.054 0.000 2.104 93 D HA -0.190 4.454 4.640 0.006 0.000 0.194 93 D C 2.141 178.431 176.300 -0.016 0.000 0.994 93 D CA 1.480 55.460 54.000 -0.033 0.000 0.830 93 D CB 0.117 40.895 40.800 -0.035 0.000 0.959 93 D HN 0.272 nan 8.370 nan 0.000 0.452 94 A N -0.147 122.656 122.820 -0.028 0.000 1.930 94 A HA -0.120 4.204 4.320 0.006 0.000 0.217 94 A C 2.341 179.953 177.584 0.047 0.000 1.175 94 A CA 1.286 53.320 52.037 -0.004 0.000 0.627 94 A CB -0.539 18.442 19.000 -0.032 0.000 0.815 94 A HN 0.265 nan 8.150 nan 0.000 0.443 95 M N -1.295 118.323 119.600 0.031 0.000 2.117 95 M HA -0.135 4.348 4.480 0.006 0.000 0.262 95 M C 2.180 178.621 176.300 0.235 0.000 1.065 95 M CA 1.484 56.858 55.300 0.122 0.000 1.114 95 M CB -0.348 32.260 32.600 0.014 0.000 1.361 95 M HN 0.481 nan 8.290 nan 0.000 0.408 96 L N 0.067 121.359 121.223 0.116 0.000 2.056 96 L HA -0.128 4.215 4.340 0.006 0.000 0.207 96 L C 2.665 179.574 176.870 0.065 0.000 1.078 96 L CA 2.093 56.986 54.840 0.087 0.000 0.749 96 L CB -0.651 41.424 42.059 0.027 0.000 0.901 96 L HN 0.349 nan 8.230 nan 0.000 0.433 97 S N -0.685 115.051 115.700 0.059 0.000 2.402 97 S HA -0.192 4.282 4.470 0.006 0.000 0.229 97 S C 2.091 176.731 174.600 0.067 0.000 1.021 97 S CA 0.793 59.016 58.200 0.038 0.000 0.974 97 S CB -0.584 62.631 63.200 0.025 0.000 0.800 97 S HN 0.553 nan 8.310 nan 0.000 0.484 98 R N 0.653 121.248 120.500 0.158 0.000 2.316 98 R HA 0.143 4.487 4.340 0.006 0.000 0.202 98 R C 1.600 177.999 176.300 0.164 0.000 1.029 98 R CA 0.575 56.816 56.100 0.234 0.000 1.018 98 R CB -0.365 30.193 30.300 0.430 0.000 0.888 98 R HN 0.693 nan 8.270 nan 0.000 0.471 99 G N -0.130 108.682 108.800 0.019 0.000 2.184 99 G HA2 -0.232 3.732 3.960 0.006 0.000 0.206 99 G HA3 -0.232 3.732 3.960 0.006 0.000 0.206 99 G C -0.112 174.525 174.900 -0.439 0.000 0.995 99 G CA -0.687 44.214 45.100 -0.332 0.000 0.651 99 G HN 0.171 nan 8.290 nan 0.000 0.511 100 F N 2.349 122.342 119.950 0.073 0.000 2.421 100 F HA 0.465 4.995 4.527 0.006 0.000 0.358 100 F C 1.814 177.618 175.800 0.006 0.000 1.115 100 F CA 0.704 58.763 58.000 0.098 0.000 1.160 100 F CB 1.547 40.634 39.000 0.145 0.000 1.123 100 F HN 0.086 nan 8.300 nan 0.000 0.508 101 T N -2.355 112.261 114.554 0.104 0.000 3.014 101 T HA 0.207 4.560 4.350 0.006 0.000 0.250 101 T C 0.498 175.244 174.700 0.076 0.000 1.060 101 T CA -0.056 62.068 62.100 0.041 0.000 1.040 101 T CB 0.136 68.983 68.868 -0.035 0.000 0.971 101 T HN 0.312 nan 8.240 nan 0.000 0.497 102 S N 1.051 116.845 115.700 0.157 0.000 2.541 102 S HA 0.717 5.191 4.470 0.006 0.000 0.280 102 S C -0.878 173.858 174.600 0.226 0.000 1.112 102 S CA -0.817 57.487 58.200 0.173 0.000 0.925 102 S CB 2.314 65.676 63.200 0.270 0.000 1.067 102 S HN 0.561 nan 8.310 nan 0.000 0.479 103 V N 0.738 120.758 119.914 0.178 0.000 2.789 103 V HA 0.680 4.804 4.120 0.006 0.000 0.311 103 V C -0.553 175.671 176.094 0.217 0.000 1.073 103 V CA -1.167 61.228 62.300 0.158 0.000 0.921 103 V CB 1.696 33.548 31.823 0.048 0.000 1.009 103 V HN 0.856 nan 8.190 nan 0.000 0.426 104 R N 2.676 123.280 120.500 0.173 0.000 2.196 104 R HA 0.281 4.625 4.340 0.006 0.000 0.340 104 R C -0.393 175.894 176.300 -0.021 0.000 1.043 104 R CA -0.305 55.871 56.100 0.127 0.000 0.883 104 R CB 0.503 30.836 30.300 0.056 0.000 1.078 104 R HN 1.000 nan 8.270 nan 0.000 0.462 105 D N 3.211 123.591 120.400 -0.034 0.000 2.312 105 D HA 0.085 4.729 4.640 0.006 0.000 0.252 105 D C -0.440 175.723 176.300 -0.230 0.000 1.150 105 D CA 0.034 53.947 54.000 -0.144 0.000 0.870 105 D CB 1.378 42.130 40.800 -0.080 0.000 1.153 105 D HN 0.664 nan 8.370 nan 0.000 0.457 106 A N 3.213 125.742 122.820 -0.485 0.000 2.988 106 A HA 0.533 4.856 4.320 0.006 0.000 0.288 106 A C 0.687 178.145 177.584 -0.210 0.000 1.385 106 A CA 0.224 51.952 52.037 -0.514 0.000 1.001 106 A CB -0.470 17.853 19.000 -1.128 0.000 1.071 106 A HN 0.738 nan 8.150 nan 0.000 0.608 107 G N -1.888 106.863 108.800 -0.082 0.000 3.367 107 G HA2 0.462 4.426 3.960 0.006 0.000 0.686 107 G HA3 0.462 4.426 3.960 0.006 0.000 0.686 107 G C 0.621 175.601 174.900 0.133 0.000 1.146 107 G CA 0.170 45.306 45.100 0.060 0.000 0.913 107 G HN 2.109 nan 8.290 nan 0.000 0.554 108 G N 0.608 109.443 108.800 0.059 0.000 3.151 108 G HA2 0.445 4.409 3.960 0.006 0.000 0.197 108 G HA3 0.445 4.409 3.960 0.006 0.000 0.197 108 G C 1.078 175.990 174.900 0.021 0.000 1.682 108 G CA 1.302 46.436 45.100 0.057 0.000 1.205 108 G HN 2.574 nan 8.290 nan 0.000 0.510 109 A N 1.562 124.388 122.820 0.010 0.000 2.407 109 A HA 0.576 4.900 4.320 0.006 0.000 0.248 109 A C 0.359 177.946 177.584 0.004 0.000 1.082 109 A CA 1.110 53.145 52.037 -0.002 0.000 0.785 109 A CB 0.153 19.142 19.000 -0.018 0.000 1.020 109 A HN 1.007 nan 8.150 nan 0.000 0.489 110 D N 0.041 120.452 120.400 0.019 0.000 2.689 110 D HA 0.149 4.792 4.640 0.006 0.000 0.255 110 D C 0.652 177.014 176.300 0.104 0.000 1.113 110 D CA -0.746 53.293 54.000 0.065 0.000 1.115 110 D CB -0.198 40.652 40.800 0.084 0.000 1.334 110 D HN 0.549 nan 8.370 nan 0.000 0.621 111 W N 0.700 121.978 121.300 -0.037 0.000 2.363 111 W HA -0.131 4.532 4.660 0.005 0.000 0.296 111 W C 1.933 178.432 176.519 -0.034 0.000 1.212 111 W CA 2.493 59.817 57.345 -0.036 0.000 1.260 111 W CB -0.208 29.235 29.460 -0.028 0.000 1.131 111 W HN 0.352 nan 8.180 nan 0.000 0.530 112 S N 0.729 116.447 115.700 0.031 0.000 2.382 112 S HA -0.250 4.224 4.470 0.006 0.000 0.228 112 S C 1.931 176.393 174.600 -0.230 0.000 1.027 112 S CA 1.408 59.495 58.200 -0.190 0.000 0.991 112 S CB -0.925 62.285 63.200 0.018 0.000 0.823 112 S HN 0.409 nan 8.310 nan 0.000 0.469 113 L N 0.717 121.860 121.223 -0.135 0.000 2.072 113 L HA 0.031 4.375 4.340 0.006 0.000 0.205 113 L C 2.659 179.418 176.870 -0.184 0.000 1.079 113 L CA 1.266 56.029 54.840 -0.128 0.000 0.752 113 L CB -0.351 41.663 42.059 -0.075 0.000 0.906 113 L HN 0.399 nan 8.230 nan 0.000 0.436 114 M N -0.856 118.616 119.600 -0.213 0.000 2.106 114 M HA -0.292 4.192 4.480 0.006 0.000 0.259 114 M C 2.175 178.270 176.300 -0.341 0.000 1.068 114 M CA 1.790 56.934 55.300 -0.259 0.000 1.100 114 M CB -0.085 32.369 32.600 -0.244 0.000 1.351 114 M HN 0.292 nan 8.290 nan 0.000 0.404 115 Q N -0.337 119.162 119.800 -0.501 0.000 2.172 115 Q HA -0.031 4.313 4.340 0.006 0.000 0.200 115 Q C 2.113 177.927 176.000 -0.309 0.000 0.964 115 Q CA 1.590 57.087 55.803 -0.511 0.000 0.855 115 Q CB -0.499 27.760 28.738 -0.799 0.000 0.918 115 Q HN 0.682 nan 8.270 nan 0.000 0.444 116 A N 0.864 123.532 122.820 -0.254 0.000 1.933 116 A HA -0.139 4.185 4.320 0.006 0.000 0.218 116 A C 2.258 179.758 177.584 -0.140 0.000 1.175 116 A CA 1.897 53.833 52.037 -0.168 0.000 0.628 116 A CB -0.713 18.206 19.000 -0.134 0.000 0.814 116 A HN 0.300 nan 8.150 nan 0.000 0.444 117 V N -2.700 117.126 119.914 -0.148 0.000 2.591 117 V HA -0.067 4.057 4.120 0.006 0.000 0.249 117 V C 1.819 177.840 176.094 -0.122 0.000 1.053 117 V CA 2.170 64.397 62.300 -0.122 0.000 1.068 117 V CB -0.626 31.127 31.823 -0.116 0.000 0.689 117 V HN 0.551 nan 8.190 nan 0.000 0.462 118 E N 1.177 121.287 120.200 -0.150 0.000 2.158 118 E HA -0.103 4.250 4.350 0.006 0.000 0.191 118 E C 2.271 178.805 176.600 -0.109 0.000 0.982 118 E CA 1.542 57.862 56.400 -0.133 0.000 0.823 118 E CB -0.090 29.516 29.700 -0.157 0.000 0.766 118 E HN 0.889 nan 8.360 nan 0.000 0.468 119 T N -3.210 111.273 114.554 -0.120 0.000 3.088 119 T HA 0.126 4.480 4.350 0.006 0.000 0.259 119 T C 1.517 176.172 174.700 -0.074 0.000 1.122 119 T CA 0.566 62.611 62.100 -0.092 0.000 1.095 119 T CB 0.403 69.213 68.868 -0.097 0.000 0.930 119 T HN 0.247 nan 8.240 nan 0.000 0.508 120 G N 0.779 109.532 108.800 -0.079 0.000 2.143 120 G HA2 -0.230 3.733 3.960 0.006 0.000 0.249 120 G HA3 -0.230 3.733 3.960 0.006 0.000 0.249 120 G C 0.502 175.367 174.900 -0.059 0.000 0.981 120 G CA 0.277 45.339 45.100 -0.063 0.000 0.665 120 G HN 0.495 nan 8.290 nan 0.000 0.528 121 L N -0.546 120.636 121.223 -0.068 0.000 2.265 121 L HA 0.394 4.737 4.340 0.006 0.000 0.215 121 L C 1.159 177.994 176.870 -0.057 0.000 1.117 121 L CA 1.527 56.331 54.840 -0.061 0.000 0.782 121 L CB 0.260 42.278 42.059 -0.069 0.000 0.914 121 L HN 0.265 nan 8.230 nan 0.000 0.441 122 V N -1.784 118.092 119.914 -0.064 0.000 2.851 122 V HA 0.282 4.405 4.120 0.006 0.000 0.307 122 V C -0.420 175.639 176.094 -0.059 0.000 1.129 122 V CA -0.790 61.474 62.300 -0.060 0.000 0.932 122 V CB 2.166 33.949 31.823 -0.067 0.000 1.024 122 V HN -0.071 nan 8.190 nan 0.000 0.426 123 S N 2.385 118.055 115.700 -0.050 0.000 2.499 123 S HA 0.822 5.296 4.470 0.006 0.000 0.275 123 S C 0.197 174.769 174.600 -0.047 0.000 1.257 123 S CA 0.566 58.739 58.200 -0.045 0.000 1.050 123 S CB 0.635 63.814 63.200 -0.035 0.000 0.937 123 S HN 1.400 nan 8.310 nan 0.000 0.490 124 G N 4.464 113.237 108.800 -0.046 0.000 2.322 124 G HA2 0.419 4.383 3.960 0.006 0.000 0.295 124 G HA3 0.419 4.383 3.960 0.006 0.000 0.295 124 G C -3.594 171.284 174.900 -0.036 0.000 1.369 124 G CA -0.862 44.214 45.100 -0.040 0.000 0.821 124 G HN 0.475 nan 8.290 nan 0.000 0.536 125 P HA 0.332 nan 4.420 nan 0.000 0.272 125 P C -0.100 177.164 177.300 -0.061 0.000 1.230 125 P CA -0.503 62.593 63.100 -0.007 0.000 0.788 125 P CB 0.519 32.248 31.700 0.048 0.000 0.949 126 R N 2.100 122.549 120.500 -0.086 0.000 2.538 126 R HA 0.147 4.491 4.340 0.006 0.000 0.282 126 R C -0.485 175.672 176.300 -0.237 0.000 1.009 126 R CA 0.228 56.211 56.100 -0.196 0.000 1.063 126 R CB -0.493 29.662 30.300 -0.242 0.000 0.945 126 R HN 0.408 nan 8.270 nan 0.000 0.414 127 I N 5.161 125.554 120.570 -0.295 0.000 2.412 127 I HA 0.219 4.392 4.170 0.006 0.000 0.296 127 I C -0.621 175.287 176.117 -0.348 0.000 0.987 127 I CA -0.627 60.541 61.300 -0.219 0.000 1.180 127 I CB 1.382 39.301 38.000 -0.135 0.000 1.340 127 I HN 0.555 nan 8.210 nan 0.000 0.455 128 F N 7.040 126.979 119.950 -0.018 0.000 2.310 128 F HA 0.333 4.864 4.527 0.006 0.000 0.365 128 F C -2.087 173.693 175.800 -0.032 0.000 1.080 128 F CA -2.186 55.807 58.000 -0.012 0.000 1.187 128 F CB 0.780 39.782 39.000 0.003 0.000 1.465 128 F HN 0.195 nan 8.300 nan 0.000 0.496 129 P HA 0.125 nan 4.420 nan 0.000 0.279 129 P C 0.079 177.390 177.300 0.018 0.000 1.239 129 P CA -0.144 62.980 63.100 0.040 0.000 0.789 129 P CB 1.823 33.545 31.700 0.038 0.000 0.933 130 S N 1.266 116.952 115.700 -0.024 0.000 2.548 130 S HA 0.236 4.710 4.470 0.006 0.000 0.215 130 S C 1.333 175.903 174.600 -0.050 0.000 0.976 130 S CA 0.550 58.718 58.200 -0.053 0.000 0.908 130 S CB -0.566 62.590 63.200 -0.073 0.000 0.781 130 S HN 0.889 nan 8.310 nan 0.000 0.519 131 G N 2.210 110.989 108.800 -0.035 0.000 2.559 131 G HA2 -0.260 3.703 3.960 0.006 0.000 0.282 131 G HA3 -0.260 3.703 3.960 0.006 0.000 0.282 131 G C -0.433 174.421 174.900 -0.077 0.000 1.177 131 G CA -0.085 44.980 45.100 -0.057 0.000 0.960 131 G HN 0.392 nan 8.290 nan 0.000 0.540 132 K N 1.276 121.602 120.400 -0.124 0.000 2.164 132 K HA 0.674 4.997 4.320 0.006 0.000 0.258 132 K C 0.330 176.898 176.600 -0.053 0.000 0.951 132 K CA -0.027 56.192 56.287 -0.112 0.000 0.844 132 K CB 2.031 34.387 32.500 -0.240 0.000 1.099 132 K HN 0.976 nan 8.250 nan 0.000 0.435 133 A N 3.594 126.415 122.820 0.002 0.000 2.477 133 A HA 0.217 4.541 4.320 0.006 0.000 0.246 133 A C 0.128 177.738 177.584 0.042 0.000 1.078 133 A CA -0.293 51.767 52.037 0.037 0.000 0.770 133 A CB -0.136 18.910 19.000 0.077 0.000 1.011 133 A HN 0.644 nan 8.150 nan 0.000 0.494 134 L N 2.355 123.624 121.223 0.077 0.000 2.331 134 L HA 0.485 4.828 4.340 0.006 0.000 0.278 134 L C 0.684 177.688 176.870 0.223 0.000 1.106 134 L CA -0.045 54.881 54.840 0.144 0.000 0.824 134 L CB 1.163 43.303 42.059 0.134 0.000 1.142 134 L HN 0.701 nan 8.230 nan 0.000 0.443 135 S N 2.081 117.880 115.700 0.166 0.000 2.548 135 S HA 0.389 4.863 4.470 0.006 0.000 0.276 135 S C -0.662 173.867 174.600 -0.118 0.000 1.129 135 S CA -0.930 57.261 58.200 -0.015 0.000 0.931 135 S CB 1.713 64.850 63.200 -0.104 0.000 1.068 135 S HN 0.647 nan 8.310 nan 0.000 0.480 136 Q N 2.275 121.736 119.800 -0.566 0.000 2.584 136 Q HA 0.352 4.696 4.340 0.006 0.000 0.235 136 Q C -0.244 175.643 176.000 -0.187 0.000 1.079 136 Q CA -0.251 55.317 55.803 -0.392 0.000 0.977 136 Q CB -0.342 28.050 28.738 -0.575 0.000 1.293 136 Q HN 0.508 nan 8.270 nan 0.000 0.553 137 T N 1.187 115.680 114.554 -0.101 0.000 2.908 137 T HA 0.304 4.657 4.350 0.006 0.000 0.301 137 T C 1.077 175.725 174.700 -0.087 0.000 1.019 137 T CA 0.890 62.947 62.100 -0.071 0.000 1.152 137 T CB -0.046 68.802 68.868 -0.033 0.000 0.966 137 T HN 1.006 nan 8.240 nan 0.000 0.540 138 G N 2.479 111.228 108.800 -0.086 0.000 2.153 138 G HA2 -0.159 3.805 3.960 0.006 0.000 0.252 138 G HA3 -0.159 3.805 3.960 0.006 0.000 0.252 138 G C 0.477 175.318 174.900 -0.098 0.000 0.994 138 G CA -0.020 45.033 45.100 -0.078 0.000 0.698 138 G HN 1.129 nan 8.290 nan 0.000 0.521 139 G N -2.094 106.620 108.800 -0.143 0.000 2.537 139 G HA2 0.469 4.432 3.960 0.006 0.000 0.297 139 G HA3 0.469 4.432 3.960 0.006 0.000 0.297 139 G C 0.528 175.340 174.900 -0.147 0.000 1.310 139 G CA 0.321 45.334 45.100 -0.144 0.000 1.027 139 G HN 0.458 nan 8.290 nan 0.000 0.505 140 H N -0.914 118.025 119.070 -0.219 0.000 2.560 140 H HA -0.003 4.557 4.556 0.006 0.000 0.283 140 H C 2.154 177.228 175.328 -0.423 0.000 1.028 140 H CA 1.603 57.497 56.048 -0.257 0.000 1.221 140 H CB 0.023 29.630 29.762 -0.259 0.000 1.363 140 H HN 0.414 nan 8.280 nan 0.000 0.594 141 G N -1.457 107.056 108.800 -0.478 0.000 2.939 141 G HA2 -0.047 3.917 3.960 0.006 0.000 0.216 141 G HA3 -0.047 3.917 3.960 0.006 0.000 0.216 141 G C -0.125 174.275 174.900 -0.832 0.000 1.125 141 G CA -0.066 44.650 45.100 -0.641 0.000 0.766 141 G HN 0.282 nan 8.290 nan 0.000 0.541 142 D N 0.199 120.230 120.400 -0.615 0.000 2.316 142 D HA 0.283 4.927 4.640 0.006 0.000 0.245 142 D C -0.159 175.844 176.300 -0.494 0.000 1.171 142 D CA -0.724 53.029 54.000 -0.411 0.000 0.856 142 D CB 0.704 41.380 40.800 -0.207 0.000 1.090 142 D HN 0.028 nan 8.370 nan 0.000 0.476 143 F N 2.042 121.974 119.950 -0.030 0.000 2.653 143 F HA 0.253 4.784 4.527 0.006 0.000 0.304 143 F C 1.224 177.015 175.800 -0.014 0.000 1.092 143 F CA -0.409 57.572 58.000 -0.031 0.000 1.279 143 F CB 0.102 39.078 39.000 -0.039 0.000 1.044 143 F HN 0.017 nan 8.300 nan 0.000 0.564 144 R N 2.826 123.382 120.500 0.093 0.000 2.522 144 R HA 0.111 4.454 4.340 0.006 0.000 0.284 144 R C -2.128 174.203 176.300 0.051 0.000 1.032 144 R CA -1.357 54.782 56.100 0.064 0.000 1.049 144 R CB -0.281 30.038 30.300 0.032 0.000 0.956 144 R HN -0.027 nan 8.270 nan 0.000 0.422 145 P HA -0.004 nan 4.420 nan 0.000 0.271 145 P C -0.318 176.997 177.300 0.025 0.000 1.233 145 P CA -0.297 62.827 63.100 0.040 0.000 0.789 145 P CB 0.659 32.381 31.700 0.036 0.000 0.951 151 E N 0.910 121.115 120.200 0.009 0.000 3.179 151 E HA -0.174 4.180 4.350 0.006 0.000 0.148 151 E C -2.126 174.479 176.600 0.008 0.000 1.916 151 E CA 0.516 56.922 56.400 0.010 0.000 0.709 151 E CB -1.612 28.092 29.700 0.007 0.000 1.081 151 E HN 0.482 nan 8.360 nan 0.000 0.351 152 P HA 0.130 nan 4.420 nan 0.000 0.313 152 P C 0.273 177.577 177.300 0.006 0.000 1.419 152 P CA 0.134 63.238 63.100 0.006 0.000 0.842 152 P CB 0.309 32.012 31.700 0.005 0.000 2.041 153 C N -2.349 116.954 119.300 0.004 0.000 3.933 153 C HA 0.657 5.121 4.460 0.006 0.000 0.208 153 C C 1.593 176.585 174.990 0.003 0.000 3.191 153 C CA 0.764 59.783 59.018 0.002 0.000 1.883 153 C CB 0.548 28.284 27.740 -0.007 0.000 3.793 153 C HN 0.743 nan 8.230 nan 0.000 0.469 154 S N -1.177 114.516 115.700 -0.012 0.000 6.372 154 S HA 0.007 4.480 4.470 0.006 0.000 0.097 154 S C 1.124 175.683 174.600 -0.070 0.000 1.206 154 S CA 1.642 59.830 58.200 -0.021 0.000 1.380 154 S CB -0.856 62.350 63.200 0.010 0.000 1.932 154 S HN 2.566 nan 8.310 nan 0.000 0.560 155 C N 0.923 120.151 119.300 -0.120 0.000 5.688 155 C HA -0.140 4.324 4.460 0.006 0.000 0.291 155 C C 0.472 175.247 174.990 -0.359 0.000 2.111 155 C CA -0.621 58.270 59.018 -0.212 0.000 1.870 155 C CB -2.623 25.038 27.740 -0.131 0.000 2.828 155 C HN 1.125 nan 8.230 nan 0.000 0.449 156 C N 1.498 120.621 119.300 -0.294 0.000 2.408 156 C HA 0.686 5.150 4.460 0.006 0.000 0.321 156 C C 0.015 174.885 174.990 -0.201 0.000 1.245 156 C CA -0.390 58.447 59.018 -0.301 0.000 1.523 156 C CB 0.367 28.030 27.740 -0.130 0.000 2.178 156 C HN 0.489 nan 8.230 nan 0.000 0.488 157 F N 5.474 125.437 119.950 0.021 0.000 2.462 157 F HA 0.274 4.805 4.527 0.007 0.000 0.360 157 F C 1.282 177.097 175.800 0.025 0.000 1.134 157 F CA -0.421 57.594 58.000 0.026 0.000 1.148 157 F CB 0.377 39.393 39.000 0.028 0.000 1.147 157 F HN 0.395 nan 8.300 nan 0.000 0.550 158 R N 1.685 122.317 120.500 0.220 0.000 2.623 158 R HA 0.042 4.385 4.340 0.006 0.000 0.271 158 R C 1.024 177.395 176.300 0.118 0.000 1.043 158 R CA 0.039 56.217 56.100 0.130 0.000 1.083 158 R CB -0.054 30.306 30.300 0.099 0.000 0.974 158 R HN 0.581 nan 8.270 nan 0.000 0.436 159 T N -0.351 114.250 114.554 0.079 0.000 3.085 159 T HA -0.014 4.340 4.350 0.006 0.000 0.263 159 T C 1.526 176.251 174.700 0.041 0.000 1.127 159 T CA 0.995 63.130 62.100 0.059 0.000 1.103 159 T CB 0.195 69.090 68.868 0.044 0.000 0.921 159 T HN 0.751 nan 8.240 nan 0.000 0.510 160 G N 0.667 109.489 108.800 0.037 0.000 3.284 160 G HA2 0.504 4.468 3.960 0.006 0.000 0.236 160 G HA3 0.504 4.468 3.960 0.006 0.000 0.236 160 G C 0.341 175.251 174.900 0.016 0.000 1.158 160 G CA -0.145 44.965 45.100 0.017 0.000 0.774 160 G HN 0.638 nan 8.290 nan 0.000 0.545 161 A N 0.746 123.595 122.820 0.048 0.000 2.260 161 A HA 0.599 4.922 4.320 0.006 0.000 0.308 161 A C 1.167 178.793 177.584 0.071 0.000 1.254 161 A CA -0.557 51.523 52.037 0.072 0.000 0.874 161 A CB 0.595 19.669 19.000 0.123 0.000 1.153 161 A HN 0.030 nan 8.150 nan 0.000 0.527 162 I N 1.373 121.997 120.570 0.090 0.000 2.315 162 I HA -0.071 4.102 4.170 0.006 0.000 0.248 162 I C 1.470 177.647 176.117 0.101 0.000 1.117 162 I CA 1.769 63.134 61.300 0.107 0.000 1.404 162 I CB -1.489 36.559 38.000 0.079 0.000 1.071 162 I HN 0.668 nan 8.210 nan 0.000 0.419 163 A N 0.899 123.789 122.820 0.116 0.000 2.486 163 A HA 0.791 5.115 4.320 0.006 0.000 0.289 163 A C -0.090 177.530 177.584 0.060 0.000 1.176 163 A CA -0.699 51.374 52.037 0.060 0.000 0.757 163 A CB 1.691 20.700 19.000 0.016 0.000 1.337 163 A HN 0.261 nan 8.150 nan 0.000 0.423 164 R N -0.394 120.133 120.500 0.044 0.000 2.854 164 R HA 0.787 5.131 4.340 0.006 0.000 0.271 164 R C -1.770 174.582 176.300 0.088 0.000 0.994 164 R CA -0.727 55.439 56.100 0.110 0.000 0.945 164 R CB 1.567 31.948 30.300 0.136 0.000 1.194 164 R HN 0.312 nan 8.270 nan 0.000 0.476 165 V N 2.080 122.053 119.914 0.100 0.000 2.398 165 V HA 0.511 4.635 4.120 0.006 0.000 0.286 165 V C -0.372 175.781 176.094 0.098 0.000 1.026 165 V CA -0.462 61.877 62.300 0.065 0.000 0.868 165 V CB 1.370 33.207 31.823 0.023 0.000 0.982 165 V HN 0.670 nan 8.190 nan 0.000 0.443 166 V N 1.577 121.564 119.914 0.122 0.000 2.852 166 V HA 0.725 4.849 4.120 0.006 0.000 0.300 166 V C -1.468 174.743 176.094 0.196 0.000 1.205 166 V CA -0.901 61.482 62.300 0.137 0.000 0.940 166 V CB 2.033 33.936 31.823 0.132 0.000 1.047 166 V HN 0.764 nan 8.190 nan 0.000 0.429 167 D N 1.660 122.148 120.400 0.146 0.000 2.601 167 D HA 0.872 5.516 4.640 0.006 0.000 0.230 167 D C 0.107 176.474 176.300 0.111 0.000 1.106 167 D CA 0.540 54.641 54.000 0.168 0.000 0.873 167 D CB 1.918 42.779 40.800 0.102 0.000 1.515 167 D HN 1.569 nan 8.370 nan 0.000 0.468 168 G N -0.611 108.253 108.800 0.107 0.000 2.911 168 G HA2 -0.124 3.840 3.960 0.006 0.000 0.686 168 G HA3 -0.124 3.840 3.960 0.006 0.000 0.686 168 G C 0.605 175.519 174.900 0.024 0.000 1.136 168 G CA -0.538 44.596 45.100 0.056 0.000 0.764 168 G HN 0.414 nan 8.290 nan 0.000 0.626 169 V N 1.749 121.669 119.914 0.011 0.000 2.282 169 V HA -0.212 3.912 4.120 0.006 0.000 0.249 169 V C 2.707 178.793 176.094 -0.013 0.000 1.057 169 V CA 2.797 65.090 62.300 -0.011 0.000 1.032 169 V CB -0.390 31.430 31.823 -0.005 0.000 0.645 169 V HN 0.801 nan 8.190 nan 0.000 0.447 170 E N 0.431 120.631 120.200 0.000 0.000 2.150 170 E HA -0.098 4.256 4.350 0.006 0.000 0.193 170 E C 2.334 178.936 176.600 0.004 0.000 0.985 170 E CA 1.313 57.714 56.400 0.001 0.000 0.814 170 E CB -0.689 29.014 29.700 0.005 0.000 0.752 170 E HN 0.632 nan 8.360 nan 0.000 0.466 171 G N 1.671 110.479 108.800 0.013 0.000 2.404 171 G HA2 -0.201 3.762 3.960 0.006 0.000 0.215 171 G HA3 -0.201 3.762 3.960 0.006 0.000 0.215 171 G C 1.847 176.756 174.900 0.015 0.000 1.174 171 G CA 1.529 46.644 45.100 0.025 0.000 0.780 171 G HN 0.298 nan 8.290 nan 0.000 0.537 172 V N -1.189 118.718 119.914 -0.011 0.000 2.407 172 V HA -0.025 4.099 4.120 0.006 0.000 0.248 172 V C 2.509 178.572 176.094 -0.052 0.000 1.055 172 V CA 1.999 64.265 62.300 -0.057 0.000 1.049 172 V CB -0.625 31.096 31.823 -0.171 0.000 0.662 172 V HN 0.263 nan 8.190 nan 0.000 0.455 173 R N -0.370 120.106 120.500 -0.039 0.000 2.073 173 R HA -0.073 4.271 4.340 0.006 0.000 0.234 173 R C 2.349 178.637 176.300 -0.019 0.000 1.134 173 R CA 1.953 58.035 56.100 -0.032 0.000 0.952 173 R CB -0.576 29.710 30.300 -0.023 0.000 0.850 173 R HN 0.552 nan 8.270 nan 0.000 0.433 174 L N 0.766 121.985 121.223 -0.006 0.000 2.017 174 L HA -0.119 4.225 4.340 0.006 0.000 0.208 174 L C 2.222 179.098 176.870 0.010 0.000 1.073 174 L CA 2.135 56.978 54.840 0.004 0.000 0.745 174 L CB -0.814 41.254 42.059 0.015 0.000 0.894 174 L HN 0.151 nan 8.230 nan 0.000 0.432 175 A N -1.091 121.738 122.820 0.015 0.000 1.908 175 A HA -0.174 4.149 4.320 0.006 0.000 0.218 175 A C 2.276 179.853 177.584 -0.010 0.000 1.181 175 A CA 2.196 54.246 52.037 0.021 0.000 0.627 175 A CB -1.178 17.840 19.000 0.031 0.000 0.818 175 A HN 0.334 nan 8.150 nan 0.000 0.445 176 V N -0.021 119.876 119.914 -0.028 0.000 2.261 176 V HA -0.299 3.825 4.120 0.006 0.000 0.246 176 V C 2.600 178.672 176.094 -0.037 0.000 1.047 176 V CA 2.288 64.562 62.300 -0.042 0.000 1.015 176 V CB -0.886 30.906 31.823 -0.052 0.000 0.642 176 V HN 0.546 nan 8.190 nan 0.000 0.446 177 R N -0.089 120.395 120.500 -0.027 0.000 2.119 177 R HA -0.253 4.091 4.340 0.006 0.000 0.246 177 R C 2.299 178.585 176.300 -0.024 0.000 1.146 177 R CA 2.134 58.219 56.100 -0.025 0.000 0.962 177 R CB -0.392 29.898 30.300 -0.017 0.000 0.863 177 R HN 0.637 nan 8.270 nan 0.000 0.442 178 E N 0.024 120.217 120.200 -0.011 0.000 2.077 178 E HA -0.165 4.189 4.350 0.006 0.000 0.193 178 E C 1.974 178.557 176.600 -0.029 0.000 0.989 178 E CA 0.838 57.236 56.400 -0.003 0.000 0.800 178 E CB 0.091 29.815 29.700 0.039 0.000 0.746 178 E HN 0.245 nan 8.360 nan 0.000 0.452 179 E N 0.380 120.553 120.200 -0.044 0.000 2.152 179 E HA -0.114 4.240 4.350 0.006 0.000 0.192 179 E C 2.048 178.612 176.600 -0.061 0.000 0.983 179 E CA 0.638 56.999 56.400 -0.065 0.000 0.818 179 E CB -0.018 29.637 29.700 -0.076 0.000 0.758 179 E HN 0.325 nan 8.360 nan 0.000 0.467 180 I N 0.927 121.463 120.570 -0.057 0.000 2.286 180 I HA -0.209 3.965 4.170 0.006 0.000 0.245 180 I C 2.661 178.730 176.117 -0.079 0.000 1.104 180 I CA 0.769 62.033 61.300 -0.059 0.000 1.397 180 I CB -0.063 37.907 38.000 -0.051 0.000 1.072 180 I HN 0.029 nan 8.210 nan 0.000 0.417 181 Q N 1.410 121.163 119.800 -0.078 0.000 2.124 181 Q HA -0.235 4.109 4.340 0.006 0.000 0.202 181 Q C 1.952 177.858 176.000 -0.156 0.000 0.977 181 Q CA 1.625 57.365 55.803 -0.105 0.000 0.850 181 Q CB 0.003 28.696 28.738 -0.075 0.000 0.901 181 Q HN 0.462 nan 8.270 nan 0.000 0.429 182 K N -1.294 119.034 120.400 -0.120 0.000 2.439 182 K HA -0.018 4.305 4.320 0.006 0.000 0.197 182 K C 0.840 177.346 176.600 -0.157 0.000 1.041 182 K CA 0.629 56.838 56.287 -0.131 0.000 0.970 182 K CB 0.169 32.637 32.500 -0.053 0.000 0.773 182 K HN 0.423 nan 8.250 nan 0.000 0.479 183 G N 0.675 109.395 108.800 -0.133 0.000 2.141 183 G HA2 -0.188 3.776 3.960 0.006 0.000 0.164 183 G HA3 -0.188 3.776 3.960 0.006 0.000 0.164 183 G C 0.091 175.031 174.900 0.067 0.000 1.009 183 G CA -0.193 44.850 45.100 -0.095 0.000 0.677 183 G HN 0.405 nan 8.290 nan 0.000 0.508 184 A N -0.023 122.809 122.820 0.020 0.000 2.507 184 A HA 0.628 4.952 4.320 0.006 0.000 0.235 184 A C 1.685 179.282 177.584 0.022 0.000 1.070 184 A CA 1.614 53.662 52.037 0.018 0.000 0.768 184 A CB 0.272 19.252 19.000 -0.033 0.000 1.011 184 A HN 1.528 nan 8.150 nan 0.000 0.502 185 T N -1.572 113.002 114.554 0.035 0.000 3.040 185 T HA 0.216 4.570 4.350 0.006 0.000 0.252 185 T C 0.603 175.249 174.700 -0.091 0.000 1.064 185 T CA 0.794 62.923 62.100 0.047 0.000 1.110 185 T CB -0.032 68.957 68.868 0.201 0.000 0.921 185 T HN 0.936 nan 8.240 nan 0.000 0.480 186 Q N 0.285 119.976 119.800 -0.182 0.000 2.693 186 Q HA 0.497 4.841 4.340 0.006 0.000 0.306 186 Q C -1.935 173.898 176.000 -0.279 0.000 0.969 186 Q CA -1.141 54.407 55.803 -0.425 0.000 0.757 186 Q CB 1.148 29.344 28.738 -0.905 0.000 1.494 186 Q HN 0.181 nan 8.270 nan 0.000 0.459 187 I N 1.519 121.908 120.570 -0.302 0.000 2.382 187 I HA 0.387 4.561 4.170 0.006 0.000 0.286 187 I C -0.315 175.742 176.117 -0.100 0.000 1.002 187 I CA -0.537 60.668 61.300 -0.157 0.000 1.135 187 I CB 1.290 39.216 38.000 -0.123 0.000 1.288 187 I HN 0.702 nan 8.210 nan 0.000 0.448 188 K N 8.235 128.604 120.400 -0.051 0.000 2.211 188 K HA 0.710 5.034 4.320 0.006 0.000 0.275 188 K C -0.717 175.918 176.600 0.059 0.000 1.024 188 K CA -0.411 55.883 56.287 0.012 0.000 0.887 188 K CB 1.265 33.770 32.500 0.009 0.000 1.084 188 K HN 0.659 nan 8.250 nan 0.000 0.463 189 I N 0.032 120.667 120.570 0.110 0.000 2.957 189 I HA 0.523 4.697 4.170 0.006 0.000 0.310 189 I C -0.863 175.390 176.117 0.226 0.000 1.063 189 I CA -1.201 60.206 61.300 0.178 0.000 1.033 189 I CB 2.022 40.128 38.000 0.176 0.000 1.230 189 I HN 0.377 nan 8.210 nan 0.000 0.447 190 M N 3.826 123.572 119.600 0.243 0.000 2.129 190 M HA 0.447 4.931 4.480 0.006 0.000 0.348 190 M C 0.168 176.594 176.300 0.210 0.000 1.116 190 M CA -0.431 54.990 55.300 0.201 0.000 1.022 190 M CB 0.808 33.455 32.600 0.079 0.000 1.599 190 M HN 0.900 nan 8.290 nan 0.000 0.449 191 A N 2.319 125.279 122.820 0.234 0.000 2.589 191 A HA 0.515 4.838 4.320 0.006 0.000 0.283 191 A C 0.446 178.107 177.584 0.127 0.000 1.187 191 A CA 0.210 52.357 52.037 0.184 0.000 0.957 191 A CB 0.304 19.404 19.000 0.167 0.000 1.175 191 A HN 0.847 nan 8.150 nan 0.000 0.532 192 S N -2.106 113.683 115.700 0.149 0.000 2.643 192 S HA 0.595 5.069 4.470 0.006 0.000 0.266 192 S C 0.236 174.913 174.600 0.129 0.000 1.130 192 S CA -0.056 58.210 58.200 0.111 0.000 0.817 192 S CB 0.179 63.429 63.200 0.083 0.000 1.107 192 S HN 1.215 nan 8.310 nan 0.000 0.471 193 G N -0.480 108.383 108.800 0.105 0.000 2.667 193 G HA2 0.561 4.525 3.960 0.006 0.000 0.250 193 G HA3 0.561 4.525 3.960 0.006 0.000 0.250 193 G C 0.443 175.414 174.900 0.118 0.000 1.212 193 G CA -0.010 45.143 45.100 0.088 0.000 0.874 193 G HN 1.343 nan 8.290 nan 0.000 0.561 194 G N -2.159 106.636 108.800 -0.009 0.000 3.183 194 G HA2 0.454 4.418 3.960 0.006 0.000 0.247 194 G HA3 0.454 4.418 3.960 0.006 0.000 0.247 194 G C 0.133 175.113 174.900 0.134 0.000 1.211 194 G CA 0.432 45.473 45.100 -0.098 0.000 0.835 194 G HN 0.706 nan 8.290 nan 0.000 0.604 195 V N 0.122 120.208 119.914 0.286 0.000 3.013 195 V HA 0.279 4.403 4.120 0.006 0.000 0.238 195 V C 2.606 178.862 176.094 0.271 0.000 1.161 195 V CA 1.439 63.873 62.300 0.223 0.000 1.170 195 V CB 0.414 32.364 31.823 0.211 0.000 0.917 195 V HN 0.783 nan 8.190 nan 0.000 0.478 196 A N 0.835 123.897 122.820 0.404 0.000 2.238 196 A HA 0.241 4.565 4.320 0.006 0.000 0.208 196 A C 1.150 178.891 177.584 0.261 0.000 1.177 196 A CA 0.663 52.849 52.037 0.248 0.000 0.804 196 A CB -0.329 18.772 19.000 0.168 0.000 0.823 196 A HN 0.574 nan 8.150 nan 0.000 0.482 197 S N -0.738 115.122 115.700 0.267 0.000 2.593 197 S HA 0.545 5.018 4.470 0.006 0.000 0.297 197 S C -1.874 172.816 174.600 0.150 0.000 1.112 197 S CA -1.328 56.985 58.200 0.187 0.000 1.043 197 S CB 1.820 65.022 63.200 0.003 0.000 1.054 197 S HN 0.105 nan 8.310 nan 0.000 0.516 198 P HA -0.031 nan 4.420 nan 0.000 0.217 198 P C 1.240 178.573 177.300 0.056 0.000 1.154 198 P CA 1.483 64.636 63.100 0.089 0.000 0.841 198 P CB -0.303 31.450 31.700 0.087 0.000 0.788 199 T N -3.855 110.720 114.554 0.035 0.000 3.001 199 T HA 0.056 4.410 4.350 0.006 0.000 0.251 199 T C 0.432 175.143 174.700 0.018 0.000 1.040 199 T CA -0.336 61.775 62.100 0.019 0.000 0.985 199 T CB -0.517 68.353 68.868 0.003 0.000 1.011 199 T HN 0.124 nan 8.240 nan 0.000 0.509 200 D N 3.005 123.424 120.400 0.031 0.000 2.392 200 D HA 0.313 4.957 4.640 0.006 0.000 0.228 200 D C -2.817 173.507 176.300 0.040 0.000 1.074 200 D CA -1.978 52.040 54.000 0.031 0.000 0.838 200 D CB 1.920 42.740 40.800 0.035 0.000 1.067 200 D HN 0.161 nan 8.370 nan 0.000 0.511 201 P HA 0.009 nan 4.420 nan 0.000 0.270 201 P C 1.080 178.389 177.300 0.015 0.000 1.223 201 P CA -0.480 62.627 63.100 0.011 0.000 0.785 201 P CB 1.607 33.307 31.700 0.001 0.000 0.923 202 I N 0.463 121.028 120.570 -0.008 0.000 2.617 202 I HA -0.096 4.078 4.170 0.006 0.000 0.256 202 I C 1.696 177.828 176.117 0.025 0.000 1.167 202 I CA 1.156 62.456 61.300 -0.001 0.000 1.469 202 I CB -0.194 37.725 38.000 -0.134 0.000 1.098 202 I HN 0.268 nan 8.210 nan 0.000 0.436 203 A N 0.889 123.709 122.820 -0.000 0.000 2.167 203 A HA 0.029 4.353 4.320 0.006 0.000 0.214 203 A C 0.778 178.374 177.584 0.020 0.000 1.151 203 A CA 0.233 52.274 52.037 0.006 0.000 0.735 203 A CB -0.704 18.289 19.000 -0.011 0.000 0.802 203 A HN 0.494 nan 8.150 nan 0.000 0.467 204 N N 0.957 119.672 118.700 0.024 0.000 2.444 204 N HA 0.295 5.038 4.740 0.006 0.000 0.255 204 N C 0.275 175.805 175.510 0.034 0.000 1.255 204 N CA 0.833 53.897 53.050 0.023 0.000 0.933 204 N CB 0.658 39.154 38.487 0.016 0.000 1.143 204 N HN 0.418 nan 8.380 nan 0.000 0.453 205 T N -1.892 112.679 114.554 0.027 0.000 2.925 205 T HA 0.571 4.925 4.350 0.006 0.000 0.285 205 T C -0.416 174.297 174.700 0.021 0.000 1.021 205 T CA -0.881 61.241 62.100 0.036 0.000 1.042 205 T CB 1.412 70.303 68.868 0.039 0.000 1.037 205 T HN 0.344 nan 8.240 nan 0.000 0.481 206 Q N 0.573 120.389 119.800 0.027 0.000 2.397 206 Q HA 0.496 4.840 4.340 0.006 0.000 0.275 206 Q C -1.470 174.552 176.000 0.036 0.000 1.090 206 Q CA -0.998 54.779 55.803 -0.043 0.000 0.809 206 Q CB 2.423 31.094 28.738 -0.112 0.000 1.362 206 Q HN 0.863 nan 8.270 nan 0.000 0.431 207 Y N -0.537 119.780 120.300 0.029 0.000 2.523 207 Y HA -0.305 4.249 4.550 0.007 0.000 0.023 207 Y C 0.418 176.330 175.900 0.021 0.000 1.717 207 Y CA 0.182 58.296 58.100 0.024 0.000 1.407 207 Y CB -0.395 38.081 38.460 0.027 0.000 2.054 207 Y HN 0.799 nan 8.280 nan 0.000 0.257 208 S N 1.343 117.176 115.700 0.221 0.000 2.608 208 S HA 0.169 4.642 4.470 0.006 0.000 0.261 208 S C 0.791 175.443 174.600 0.087 0.000 1.314 208 S CA -0.120 58.149 58.200 0.115 0.000 0.992 208 S CB 1.407 64.657 63.200 0.084 0.000 0.935 208 S HN 0.683 nan 8.310 nan 0.000 0.564 209 E N 0.395 120.627 120.200 0.055 0.000 2.204 209 E HA -0.142 4.212 4.350 0.006 0.000 0.194 209 E C 0.966 177.576 176.600 0.018 0.000 0.989 209 E CA 1.052 57.472 56.400 0.034 0.000 0.824 209 E CB -0.171 29.545 29.700 0.026 0.000 0.756 209 E HN 0.628 nan 8.360 nan 0.000 0.477 210 D N 1.127 121.539 120.400 0.019 0.000 2.117 210 D HA -0.125 4.519 4.640 0.006 0.000 0.198 210 D C 1.741 178.031 176.300 -0.017 0.000 0.982 210 D CA 0.962 54.965 54.000 0.005 0.000 0.828 210 D CB -0.069 40.739 40.800 0.012 0.000 0.967 210 D HN 0.235 nan 8.370 nan 0.000 0.464 211 E N 0.176 120.364 120.200 -0.020 0.000 2.077 211 E HA -0.106 4.248 4.350 0.006 0.000 0.193 211 E C 2.320 178.821 176.600 -0.165 0.000 0.989 211 E CA 0.532 56.872 56.400 -0.101 0.000 0.800 211 E CB 0.009 29.643 29.700 -0.109 0.000 0.746 211 E HN 0.290 nan 8.360 nan 0.000 0.452 212 I N 0.579 121.086 120.570 -0.105 0.000 2.202 212 I HA -0.251 3.923 4.170 0.006 0.000 0.242 212 I C 2.479 178.561 176.117 -0.059 0.000 1.091 212 I CA 1.042 62.288 61.300 -0.090 0.000 1.368 212 I CB -0.195 37.799 38.000 -0.011 0.000 1.058 212 I HN 0.000 nan 8.210 nan 0.000 0.410 213 R N 0.673 121.152 120.500 -0.034 0.000 2.120 213 R HA -0.130 4.213 4.340 0.006 0.000 0.234 213 R C 2.428 178.710 176.300 -0.031 0.000 1.123 213 R CA 1.364 57.451 56.100 -0.022 0.000 0.975 213 R CB -0.392 29.903 30.300 -0.008 0.000 0.866 213 R HN 0.382 nan 8.270 nan 0.000 0.446 214 A N 0.900 123.692 122.820 -0.047 0.000 1.933 214 A HA -0.141 4.183 4.320 0.006 0.000 0.218 214 A C 2.065 179.614 177.584 -0.059 0.000 1.175 214 A CA 1.211 53.218 52.037 -0.049 0.000 0.628 214 A CB -0.323 18.642 19.000 -0.057 0.000 0.814 214 A HN 0.187 nan 8.150 nan 0.000 0.444 215 I N -0.937 119.582 120.570 -0.086 0.000 2.277 215 I HA -0.149 4.025 4.170 0.006 0.000 0.243 215 I C 2.332 178.416 176.117 -0.055 0.000 1.094 215 I CA 0.697 61.941 61.300 -0.092 0.000 1.393 215 I CB -0.212 37.702 38.000 -0.144 0.000 1.078 215 I HN 0.129 nan 8.210 nan 0.000 0.417 216 V N 0.961 120.853 119.914 -0.037 0.000 2.324 216 V HA -0.336 3.787 4.120 0.006 0.000 0.250 216 V C 2.041 178.133 176.094 -0.004 0.000 1.060 216 V CA 2.106 64.402 62.300 -0.007 0.000 1.042 216 V CB -0.637 31.189 31.823 0.006 0.000 0.650 216 V HN 0.415 nan 8.190 nan 0.000 0.450 217 D N -0.625 119.768 120.400 -0.011 0.000 2.117 217 D HA -0.114 4.529 4.640 0.006 0.000 0.198 217 D C 2.305 178.600 176.300 -0.009 0.000 0.982 217 D CA 0.902 54.899 54.000 -0.005 0.000 0.828 217 D CB -0.164 40.631 40.800 -0.008 0.000 0.967 217 D HN 0.398 nan 8.370 nan 0.000 0.464 218 E N 0.493 120.680 120.200 -0.020 0.000 2.152 218 E HA -0.014 4.340 4.350 0.006 0.000 0.192 218 E C 2.019 178.604 176.600 -0.025 0.000 0.983 218 E CA 0.511 56.897 56.400 -0.024 0.000 0.818 218 E CB -0.163 29.517 29.700 -0.033 0.000 0.758 218 E HN 0.193 nan 8.360 nan 0.000 0.467 219 A N 1.453 124.256 122.820 -0.029 0.000 1.873 219 A HA -0.191 4.133 4.320 0.006 0.000 0.215 219 A C 2.058 179.638 177.584 -0.006 0.000 1.186 219 A CA 1.451 53.468 52.037 -0.033 0.000 0.616 219 A CB -0.461 18.512 19.000 -0.045 0.000 0.823 219 A HN 0.178 nan 8.150 nan 0.000 0.442 220 E N -0.382 119.826 120.200 0.012 0.000 2.153 220 E HA -0.093 4.261 4.350 0.006 0.000 0.194 220 E C 2.193 178.804 176.600 0.018 0.000 0.988 220 E CA 0.769 57.187 56.400 0.029 0.000 0.811 220 E CB -0.241 29.479 29.700 0.033 0.000 0.746 220 E HN 0.621 nan 8.360 nan 0.000 0.466 221 A N 1.050 123.873 122.820 0.006 0.000 2.019 221 A HA -0.020 4.303 4.320 0.006 0.000 0.219 221 A C 2.071 179.656 177.584 0.001 0.000 1.164 221 A CA 1.416 53.455 52.037 0.003 0.000 0.644 221 A CB -0.132 18.866 19.000 -0.003 0.000 0.805 221 A HN 0.228 nan 8.150 nan 0.000 0.449 222 A N -0.622 122.196 122.820 -0.003 0.000 2.507 222 A HA 0.338 4.661 4.320 0.006 0.000 0.270 222 A C 0.467 178.054 177.584 0.006 0.000 1.318 222 A CA -0.095 51.938 52.037 -0.006 0.000 0.924 222 A CB -0.549 18.439 19.000 -0.020 0.000 1.061 222 A HN 0.463 nan 8.150 nan 0.000 0.516 223 N N 0.136 118.847 118.700 0.018 0.000 2.725 223 N HA -0.147 4.597 4.740 0.006 0.000 0.251 223 N C 0.109 175.649 175.510 0.051 0.000 1.031 223 N CA 1.536 54.608 53.050 0.036 0.000 0.720 223 N CB -1.149 37.358 38.487 0.034 0.000 0.930 223 N HN 0.643 nan 8.380 nan 0.000 0.543 224 T N -1.407 113.174 114.554 0.046 0.000 2.590 224 T HA 0.699 5.052 4.350 0.006 0.000 0.282 224 T C -1.408 173.353 174.700 0.102 0.000 0.989 224 T CA -0.417 61.718 62.100 0.059 0.000 1.091 224 T CB 1.294 70.118 68.868 -0.072 0.000 1.460 224 T HN 0.236 nan 8.240 nan 0.000 0.499 225 Y N -1.527 118.769 120.300 -0.006 0.000 2.805 225 Y HA 0.859 5.413 4.550 0.006 0.000 0.323 225 Y C -1.512 174.386 175.900 -0.003 0.000 1.279 225 Y CA -1.260 56.840 58.100 -0.000 0.000 1.103 225 Y CB 0.731 39.193 38.460 0.004 0.000 1.324 225 Y HN 0.335 nan 8.280 nan 0.000 0.498 226 V N 3.594 123.608 119.914 0.167 0.000 2.448 226 V HA 0.382 4.506 4.120 0.006 0.000 0.295 226 V C -0.153 176.071 176.094 0.216 0.000 1.025 226 V CA -0.885 61.458 62.300 0.071 0.000 0.859 226 V CB 1.373 33.225 31.823 0.048 0.000 0.988 226 V HN 0.801 nan 8.190 nan 0.000 0.431 227 M N 3.795 123.476 119.600 0.135 0.000 2.233 227 M HA 0.907 5.391 4.480 0.006 0.000 0.355 227 M C -0.350 176.025 176.300 0.126 0.000 1.191 227 M CA -0.268 55.131 55.300 0.165 0.000 1.101 227 M CB 1.490 34.179 32.600 0.148 0.000 1.592 227 M HN 0.550 nan 8.290 nan 0.000 0.461 228 A N 1.893 124.792 122.820 0.133 0.000 2.359 228 A HA 0.472 4.796 4.320 0.006 0.000 0.303 228 A C -1.374 176.306 177.584 0.161 0.000 1.066 228 A CA -0.675 51.450 52.037 0.146 0.000 0.730 228 A CB 0.582 19.651 19.000 0.114 0.000 1.211 228 A HN 1.007 nan 8.150 nan 0.000 0.439 229 H N 2.037 121.176 119.070 0.115 0.000 2.819 229 H HA 0.616 5.176 4.556 0.006 0.000 0.303 229 H C -0.161 175.162 175.328 -0.008 0.000 1.058 229 H CA 0.698 56.812 56.048 0.109 0.000 1.471 229 H CB 0.620 30.517 29.762 0.225 0.000 1.480 229 H HN 0.954 nan 8.280 nan 0.000 0.517 230 A N 5.019 127.573 122.820 -0.443 0.000 2.512 230 A HA 0.277 4.601 4.320 0.006 0.000 0.294 230 A C -1.460 175.904 177.584 -0.368 0.000 1.054 230 A CA -0.723 51.135 52.037 -0.299 0.000 0.756 230 A CB 0.244 19.207 19.000 -0.063 0.000 1.293 230 A HN 0.710 nan 8.150 nan 0.000 0.395 231 Y N 1.277 121.501 120.300 -0.126 0.000 2.265 231 Y HA 0.152 4.706 4.550 0.007 0.000 0.290 231 Y C 2.219 178.093 175.900 -0.044 0.000 1.137 231 Y CA 1.538 59.581 58.100 -0.096 0.000 1.147 231 Y CB -0.316 38.065 38.460 -0.132 0.000 1.104 231 Y HN 0.757 nan 8.280 nan 0.000 0.514 232 T N -1.302 113.333 114.554 0.135 0.000 2.813 232 T HA 0.255 4.608 4.350 0.006 0.000 0.297 232 T C 1.625 176.352 174.700 0.045 0.000 1.036 232 T CA -0.034 62.105 62.100 0.065 0.000 1.044 232 T CB 1.281 70.172 68.868 0.039 0.000 0.993 232 T HN 0.406 nan 8.240 nan 0.000 0.535 233 G N 0.424 109.239 108.800 0.024 0.000 2.432 233 G HA2 -0.197 3.767 3.960 0.006 0.000 0.219 233 G HA3 -0.197 3.767 3.960 0.006 0.000 0.219 233 G C 1.555 176.467 174.900 0.020 0.000 1.135 233 G CA 0.749 45.860 45.100 0.018 0.000 0.767 233 G HN 0.895 nan 8.290 nan 0.000 0.550 234 R N 0.599 121.110 120.500 0.018 0.000 2.081 234 R HA 0.058 4.402 4.340 0.006 0.000 0.235 234 R C 2.718 179.032 176.300 0.024 0.000 1.131 234 R CA 1.609 57.720 56.100 0.018 0.000 0.960 234 R CB -0.442 29.867 30.300 0.015 0.000 0.856 234 R HN 0.234 nan 8.270 nan 0.000 0.436 235 A N 0.728 123.566 122.820 0.031 0.000 1.969 235 A HA -0.051 4.273 4.320 0.006 0.000 0.218 235 A C 2.116 179.719 177.584 0.032 0.000 1.169 235 A CA 1.087 53.145 52.037 0.036 0.000 0.635 235 A CB -0.329 18.696 19.000 0.042 0.000 0.810 235 A HN 0.389 nan 8.150 nan 0.000 0.445 236 I N -0.518 120.070 120.570 0.031 0.000 2.233 236 I HA -0.205 3.969 4.170 0.006 0.000 0.243 236 I C 2.964 179.090 176.117 0.016 0.000 1.093 236 I CA 0.978 62.297 61.300 0.031 0.000 1.380 236 I CB -0.256 37.777 38.000 0.055 0.000 1.067 236 I HN 0.331 nan 8.210 nan 0.000 0.413 237 A N 1.675 124.503 122.820 0.013 0.000 1.902 237 A HA -0.230 4.093 4.320 0.006 0.000 0.217 237 A C 2.368 179.937 177.584 -0.025 0.000 1.181 237 A CA 1.959 53.993 52.037 -0.004 0.000 0.623 237 A CB -0.689 18.316 19.000 0.008 0.000 0.818 237 A HN 0.507 nan 8.150 nan 0.000 0.443 238 R N -0.509 119.987 120.500 -0.005 0.000 2.075 238 R HA 0.109 4.453 4.340 0.006 0.000 0.232 238 R C 2.232 178.524 176.300 -0.013 0.000 1.126 238 R CA 1.369 57.466 56.100 -0.005 0.000 0.963 238 R CB -0.771 29.538 30.300 0.015 0.000 0.858 238 R HN 0.283 nan 8.270 nan 0.000 0.435 239 A N 1.590 124.411 122.820 0.002 0.000 1.908 239 A HA -0.091 4.233 4.320 0.006 0.000 0.218 239 A C 2.443 180.011 177.584 -0.027 0.000 1.181 239 A CA 1.777 53.819 52.037 0.010 0.000 0.627 239 A CB -0.602 18.419 19.000 0.034 0.000 0.818 239 A HN 0.188 nan 8.150 nan 0.000 0.445 240 V N -0.364 119.511 119.914 -0.065 0.000 2.358 240 V HA -0.194 3.930 4.120 0.006 0.000 0.246 240 V C 2.570 178.484 176.094 -0.299 0.000 1.047 240 V CA 2.105 64.313 62.300 -0.153 0.000 1.035 240 V CB -0.737 30.988 31.823 -0.163 0.000 0.658 240 V HN 0.586 nan 8.190 nan 0.000 0.452 241 R N -1.065 119.276 120.500 -0.265 0.000 2.237 241 R HA -0.105 4.239 4.340 0.006 0.000 0.219 241 R C 1.915 178.154 176.300 -0.101 0.000 1.080 241 R CA 1.267 57.223 56.100 -0.240 0.000 0.995 241 R CB -0.314 29.923 30.300 -0.104 0.000 0.875 241 R HN 0.500 nan 8.270 nan 0.000 0.462 242 C N -0.680 118.578 119.300 -0.069 0.000 2.618 242 C HA 0.274 4.737 4.460 0.006 0.000 0.264 242 C C 1.242 176.223 174.990 -0.015 0.000 1.334 242 C CA 0.590 59.593 59.018 -0.025 0.000 1.731 242 C CB -0.117 27.618 27.740 -0.009 0.000 1.852 242 C HN 0.773 nan 8.230 nan 0.000 0.566 243 G N 0.930 109.711 108.800 -0.033 0.000 2.141 243 G HA2 -0.140 3.824 3.960 0.006 0.000 0.195 243 G HA3 -0.140 3.824 3.960 0.006 0.000 0.195 243 G C 0.081 175.001 174.900 0.033 0.000 1.012 243 G CA 0.294 45.397 45.100 0.005 0.000 0.696 243 G HN 0.950 nan 8.290 nan 0.000 0.508 244 V N -1.631 118.299 119.914 0.027 0.000 3.003 244 V HA 0.782 4.906 4.120 0.006 0.000 0.305 244 V C 1.298 177.444 176.094 0.086 0.000 1.078 244 V CA 0.550 62.892 62.300 0.071 0.000 1.083 244 V CB 1.669 33.533 31.823 0.069 0.000 1.039 244 V HN 0.398 nan 8.190 nan 0.000 0.481 245 R N 1.544 122.130 120.500 0.144 0.000 2.191 245 R HA 0.213 4.557 4.340 0.006 0.000 0.196 245 R C 0.733 177.136 176.300 0.171 0.000 0.991 245 R CA 0.833 57.017 56.100 0.141 0.000 1.075 245 R CB 0.295 30.660 30.300 0.109 0.000 1.040 245 R HN 0.965 nan 8.270 nan 0.000 0.526 246 T N -0.659 113.991 114.554 0.160 0.000 2.829 246 T HA 0.492 4.846 4.350 0.006 0.000 0.280 246 T C -0.268 174.490 174.700 0.097 0.000 0.999 246 T CA -0.863 61.317 62.100 0.134 0.000 0.983 246 T CB 1.622 70.532 68.868 0.069 0.000 0.968 246 T HN -0.090 nan 8.240 nan 0.000 0.446 247 I N 3.246 123.846 120.570 0.050 0.000 2.354 247 I HA 0.375 4.549 4.170 0.006 0.000 0.292 247 I C 0.250 176.334 176.117 -0.054 0.000 0.989 247 I CA -0.732 60.574 61.300 0.010 0.000 1.188 247 I CB 1.593 39.595 38.000 0.002 0.000 1.342 247 I HN 0.749 nan 8.210 nan 0.000 0.457 248 E N 6.706 126.857 120.200 -0.082 0.000 2.249 248 E HA 0.313 4.667 4.350 0.006 0.000 0.280 248 E C 0.378 176.715 176.600 -0.437 0.000 1.016 248 E CA -0.329 55.898 56.400 -0.288 0.000 0.830 248 E CB 1.229 30.809 29.700 -0.199 0.000 1.081 248 E HN 0.545 nan 8.360 nan 0.000 0.395 249 H N 2.034 120.986 119.070 -0.195 0.000 2.951 249 H HA -0.276 4.285 4.556 0.007 0.000 0.089 249 H C 1.093 176.402 175.328 -0.032 0.000 0.614 249 H CA 1.359 57.330 56.048 -0.129 0.000 1.649 249 H CB -1.453 28.118 29.762 -0.318 0.000 1.877 249 H HN 0.858 nan 8.280 nan 0.000 0.918 250 G N 1.826 110.668 108.800 0.070 0.000 2.198 250 G HA2 -0.365 3.599 3.960 0.006 0.000 0.260 250 G HA3 -0.365 3.599 3.960 0.006 0.000 0.260 250 G C 0.683 175.751 174.900 0.279 0.000 1.025 250 G CA 1.187 46.393 45.100 0.176 0.000 0.769 250 G HN 0.631 nan 8.290 nan 0.000 0.507 251 N N -0.242 118.631 118.700 0.289 0.000 2.272 251 N HA -0.014 4.729 4.740 0.006 0.000 0.185 251 N C 1.626 177.173 175.510 0.062 0.000 1.014 251 N CA 1.297 54.442 53.050 0.159 0.000 0.870 251 N CB -0.102 38.400 38.487 0.025 0.000 0.975 251 N HN 0.590 nan 8.380 nan 0.000 0.433 252 L N 0.681 121.952 121.223 0.080 0.000 3.094 252 L HA 0.312 4.656 4.340 0.006 0.000 0.254 252 L C -0.355 176.510 176.870 -0.009 0.000 1.298 252 L CA -0.526 54.316 54.840 0.004 0.000 1.050 252 L CB -0.015 42.038 42.059 -0.009 0.000 1.420 252 L HN -0.104 nan 8.230 nan 0.000 0.548 253 V N -2.023 117.870 119.914 -0.036 0.000 2.999 253 V HA 0.102 4.226 4.120 0.006 0.000 0.307 253 V C 0.188 176.217 176.094 -0.109 0.000 1.084 253 V CA -0.696 61.553 62.300 -0.085 0.000 1.155 253 V CB 0.211 31.886 31.823 -0.246 0.000 0.975 253 V HN 0.414 nan 8.190 nan 0.000 0.490 254 D N 1.887 122.240 120.400 -0.079 0.000 2.487 254 D HA 0.312 4.956 4.640 0.006 0.000 0.262 254 D C 0.876 177.122 176.300 -0.090 0.000 1.130 254 D CA -0.449 53.504 54.000 -0.079 0.000 1.038 254 D CB 0.595 41.368 40.800 -0.045 0.000 1.142 254 D HN 0.636 nan 8.370 nan 0.000 0.575 255 E N -0.220 119.935 120.200 -0.074 0.000 2.435 255 E HA -0.065 4.288 4.350 0.006 0.000 0.195 255 E C 1.567 178.150 176.600 -0.028 0.000 1.029 255 E CA 0.529 56.889 56.400 -0.066 0.000 0.865 255 E CB -0.277 29.388 29.700 -0.060 0.000 0.833 255 E HN 0.465 nan 8.360 nan 0.000 0.510 256 A N 2.066 124.875 122.820 -0.018 0.000 1.873 256 A HA 0.097 4.421 4.320 0.006 0.000 0.215 256 A C 2.501 180.098 177.584 0.021 0.000 1.186 256 A CA 1.873 53.913 52.037 0.004 0.000 0.616 256 A CB -0.638 18.364 19.000 0.003 0.000 0.823 256 A HN 0.367 nan 8.150 nan 0.000 0.442 257 A N -0.189 122.640 122.820 0.015 0.000 1.897 257 A HA 0.242 4.565 4.320 0.006 0.000 0.215 257 A C 2.503 180.125 177.584 0.063 0.000 1.181 257 A CA 1.874 53.932 52.037 0.035 0.000 0.620 257 A CB -1.043 17.974 19.000 0.027 0.000 0.821 257 A HN 1.023 nan 8.150 nan 0.000 0.443 258 A N 0.163 123.006 122.820 0.038 0.000 1.873 258 A HA -0.253 4.070 4.320 0.006 0.000 0.218 258 A C 2.153 179.801 177.584 0.106 0.000 1.193 258 A CA 2.236 54.317 52.037 0.075 0.000 0.629 258 A CB -0.593 18.387 19.000 -0.034 0.000 0.826 258 A HN 0.554 nan 8.150 nan 0.000 0.447 259 K N -0.864 119.579 120.400 0.072 0.000 2.074 259 K HA -0.187 4.137 4.320 0.006 0.000 0.209 259 K C 1.932 178.617 176.600 0.141 0.000 1.048 259 K CA 1.762 58.108 56.287 0.099 0.000 0.926 259 K CB -0.316 32.219 32.500 0.059 0.000 0.713 259 K HN 0.357 nan 8.250 nan 0.000 0.444 260 L N 1.033 122.329 121.223 0.122 0.000 2.093 260 L HA -0.110 4.233 4.340 0.006 0.000 0.208 260 L C 2.278 179.273 176.870 0.208 0.000 1.085 260 L CA 1.536 56.475 54.840 0.165 0.000 0.755 260 L CB -0.258 41.878 42.059 0.128 0.000 0.904 260 L HN 0.282 nan 8.230 nan 0.000 0.435 261 M N -1.593 118.097 119.600 0.151 0.000 2.086 261 M HA -0.248 4.236 4.480 0.006 0.000 0.261 261 M C 2.354 178.716 176.300 0.104 0.000 1.067 261 M CA 1.929 57.303 55.300 0.123 0.000 1.116 261 M CB -0.420 32.256 32.600 0.127 0.000 1.348 261 M HN 0.494 nan 8.290 nan 0.000 0.407 262 H N 0.177 119.267 119.070 0.034 0.000 2.321 262 H HA -0.217 4.342 4.556 0.006 0.000 0.295 262 H C 1.770 177.086 175.328 -0.020 0.000 1.102 262 H CA 2.526 58.569 56.048 -0.009 0.000 1.266 262 H CB -0.143 29.620 29.762 0.002 0.000 1.363 262 H HN 0.423 nan 8.280 nan 0.000 0.492 263 E N -1.317 118.802 120.200 -0.135 0.000 2.110 263 E HA -0.187 4.167 4.350 0.006 0.000 0.193 263 E C 1.670 178.124 176.600 -0.245 0.000 0.988 263 E CA 1.334 57.596 56.400 -0.230 0.000 0.804 263 E CB -0.021 29.622 29.700 -0.095 0.000 0.745 263 E HN 0.685 nan 8.360 nan 0.000 0.458 264 H N -1.758 117.239 119.070 -0.122 0.000 2.551 264 H HA 0.178 4.738 4.556 0.006 0.000 0.266 264 H C 0.866 176.116 175.328 -0.131 0.000 0.964 264 H CA 0.748 56.739 56.048 -0.095 0.000 1.180 264 H CB 0.966 30.700 29.762 -0.048 0.000 1.408 264 H HN 0.283 nan 8.280 nan 0.000 0.563 265 G N 0.054 108.797 108.800 -0.096 0.000 2.171 265 G HA2 -0.185 3.779 3.960 0.006 0.000 0.238 265 G HA3 -0.185 3.779 3.960 0.006 0.000 0.238 265 G C 0.118 174.861 174.900 -0.261 0.000 1.039 265 G CA 0.126 45.099 45.100 -0.211 0.000 0.759 265 G HN 0.643 nan 8.290 nan 0.000 0.501 266 A N -0.562 122.160 122.820 -0.165 0.000 2.304 266 A HA 0.871 5.195 4.320 0.006 0.000 0.301 266 A C 0.067 177.510 177.584 -0.235 0.000 1.132 266 A CA -0.464 51.499 52.037 -0.123 0.000 0.819 266 A CB 0.694 19.692 19.000 -0.003 0.000 1.094 266 A HN 0.573 nan 8.150 nan 0.000 0.492 267 F N 0.568 120.484 119.950 -0.056 0.000 2.380 267 F HA 0.539 5.069 4.527 0.004 0.000 0.321 267 F C 0.417 176.147 175.800 -0.116 0.000 1.103 267 F CA -0.321 57.629 58.000 -0.082 0.000 1.067 267 F CB 1.571 40.508 39.000 -0.105 0.000 1.265 267 F HN 0.322 nan 8.300 nan 0.000 0.517 268 V N 1.045 120.966 119.914 0.012 0.000 2.769 268 V HA 0.579 4.703 4.120 0.006 0.000 0.312 268 V C -0.783 175.233 176.094 -0.129 0.000 1.061 268 V CA -0.939 61.256 62.300 -0.176 0.000 0.931 268 V CB 1.851 33.307 31.823 -0.613 0.000 1.010 268 V HN 0.455 nan 8.190 nan 0.000 0.433 269 V N 4.129 123.955 119.914 -0.147 0.000 2.327 269 V HA 0.343 4.466 4.120 0.006 0.000 0.272 269 V C -2.505 173.471 176.094 -0.196 0.000 1.019 269 V CA -1.579 60.638 62.300 -0.139 0.000 0.814 269 V CB 1.278 33.051 31.823 -0.084 0.000 1.040 269 V HN 0.748 nan 8.190 nan 0.000 0.440 270 P HA 0.246 nan 4.420 nan 0.000 0.269 270 P C 0.286 177.514 177.300 -0.120 0.000 1.215 270 P CA 0.170 63.221 63.100 -0.081 0.000 0.780 270 P CB 0.477 32.159 31.700 -0.030 0.000 0.898 271 T N -1.857 112.695 114.554 -0.003 0.000 3.839 271 T HA 0.301 4.654 4.350 0.006 0.000 0.230 271 T C 0.857 175.570 174.700 0.022 0.000 1.095 271 T CA -0.434 61.620 62.100 -0.077 0.000 1.470 271 T CB -1.155 67.646 68.868 -0.110 0.000 0.881 271 T HN 0.070 nan 8.240 nan 0.000 0.637 272 L N 0.198 121.455 121.223 0.056 0.000 2.141 272 L HA 0.007 4.351 4.340 0.006 0.000 0.209 272 L C 2.710 179.640 176.870 0.100 0.000 1.094 272 L CA 0.685 55.639 54.840 0.190 0.000 0.763 272 L CB -0.490 41.633 42.059 0.106 0.000 0.908 272 L HN 0.416 nan 8.230 nan 0.000 0.437 273 V N -0.503 119.392 119.914 -0.031 0.000 2.469 273 V HA -0.315 3.808 4.120 0.006 0.000 0.251 273 V C 2.569 178.625 176.094 -0.063 0.000 1.064 273 V CA 2.470 64.752 62.300 -0.031 0.000 1.066 273 V CB -0.120 31.691 31.823 -0.020 0.000 0.667 273 V HN 0.514 nan 8.190 nan 0.000 0.461 274 T N -1.311 113.131 114.554 -0.186 0.000 2.962 274 T HA -0.132 4.222 4.350 0.006 0.000 0.270 274 T C 1.462 175.987 174.700 -0.292 0.000 1.088 274 T CA 1.677 63.619 62.100 -0.263 0.000 1.127 274 T CB -0.233 68.430 68.868 -0.342 0.000 0.883 274 T HN 0.713 nan 8.240 nan 0.000 0.493 275 Y N 1.084 121.393 120.300 0.016 0.000 2.365 275 Y HA 0.130 4.683 4.550 0.006 0.000 0.293 275 Y C 2.348 178.225 175.900 -0.038 0.000 1.119 275 Y CA 0.290 58.386 58.100 -0.007 0.000 1.203 275 Y CB -0.354 38.098 38.460 -0.014 0.000 1.026 275 Y HN 0.194 nan 8.280 nan 0.000 0.549 276 D N 0.289 120.734 120.400 0.075 0.000 2.097 276 D HA -0.167 4.477 4.640 0.006 0.000 0.195 276 D C 2.295 178.534 176.300 -0.102 0.000 0.989 276 D CA 1.552 55.535 54.000 -0.027 0.000 0.827 276 D CB -0.552 40.217 40.800 -0.052 0.000 0.966 276 D HN 0.309 nan 8.370 nan 0.000 0.456 277 A N 0.493 123.261 122.820 -0.086 0.000 1.902 277 A HA -0.097 4.226 4.320 0.006 0.000 0.217 277 A C 2.323 179.921 177.584 0.023 0.000 1.181 277 A CA 0.931 52.944 52.037 -0.040 0.000 0.623 277 A CB -0.740 18.312 19.000 0.086 0.000 0.818 277 A HN 0.217 nan 8.150 nan 0.000 0.443 278 L N -0.996 120.241 121.223 0.024 0.000 2.313 278 L HA -0.064 4.280 4.340 0.006 0.000 0.214 278 L C 2.966 179.834 176.870 -0.003 0.000 1.119 278 L CA 0.585 55.451 54.840 0.043 0.000 0.809 278 L CB -0.416 41.678 42.059 0.059 0.000 0.933 278 L HN 0.438 nan 8.230 nan 0.000 0.449 279 A N 0.343 123.143 122.820 -0.034 0.000 1.877 279 A HA -0.223 4.101 4.320 0.006 0.000 0.216 279 A C 2.297 179.785 177.584 -0.159 0.000 1.186 279 A CA 1.766 53.759 52.037 -0.073 0.000 0.620 279 A CB -0.255 18.706 19.000 -0.066 0.000 0.822 279 A HN 0.177 nan 8.150 nan 0.000 0.443 280 K N -0.665 119.556 120.400 -0.299 0.000 1.991 280 K HA -0.022 4.302 4.320 0.006 0.000 0.207 280 K C 0.714 176.990 176.600 -0.540 0.000 1.045 280 K CA 1.456 57.412 56.287 -0.552 0.000 0.937 280 K CB -0.061 31.834 32.500 -1.007 0.000 0.720 280 K HN 0.661 nan 8.250 nan 0.000 0.438 281 H N -1.261 117.760 119.070 -0.081 0.000 2.502 281 H HA 0.311 4.871 4.556 0.006 0.000 0.268 281 H C 0.939 176.217 175.328 -0.082 0.000 1.177 281 H CA 0.122 56.058 56.048 -0.186 0.000 0.961 281 H CB 0.428 30.033 29.762 -0.261 0.000 1.737 281 H HN 0.283 nan 8.280 nan 0.000 0.569 282 G N 0.953 109.758 108.800 0.010 0.000 2.551 282 G HA2 -0.102 3.862 3.960 0.006 0.000 0.214 282 G HA3 -0.102 3.862 3.960 0.006 0.000 0.214 282 G C 1.698 176.629 174.900 0.051 0.000 1.250 282 G CA 0.804 45.936 45.100 0.052 0.000 0.825 282 G HN 0.432 nan 8.290 nan 0.000 0.549 283 A N 0.317 123.144 122.820 0.012 0.000 2.019 283 A HA 0.008 4.332 4.320 0.006 0.000 0.219 283 A C 2.113 179.699 177.584 0.002 0.000 1.164 283 A CA 2.002 54.046 52.037 0.012 0.000 0.644 283 A CB -0.431 18.567 19.000 -0.002 0.000 0.805 283 A HN 0.542 nan 8.150 nan 0.000 0.449 284 E N -1.143 119.027 120.200 -0.050 0.000 2.077 284 E HA -0.180 4.174 4.350 0.006 0.000 0.193 284 E C 0.427 176.978 176.600 -0.083 0.000 0.989 284 E CA 1.082 57.403 56.400 -0.133 0.000 0.800 284 E CB -0.144 29.387 29.700 -0.282 0.000 0.746 284 E HN 0.546 nan 8.360 nan 0.000 0.452 285 F N -0.400 119.587 119.950 0.063 0.000 2.660 285 F HA 0.323 4.853 4.527 0.006 0.000 0.297 285 F C 1.306 177.117 175.800 0.019 0.000 1.132 285 F CA 0.501 58.526 58.000 0.041 0.000 1.372 285 F CB 0.804 39.836 39.000 0.053 0.000 1.003 285 F HN 0.205 nan 8.300 nan 0.000 0.524 286 G N 0.461 109.362 108.800 0.168 0.000 2.141 286 G HA2 -0.307 3.657 3.960 0.006 0.000 0.231 286 G HA3 -0.307 3.657 3.960 0.006 0.000 0.231 286 G C 0.446 175.383 174.900 0.062 0.000 0.984 286 G CA -0.046 45.111 45.100 0.095 0.000 0.660 286 G HN 0.311 nan 8.290 nan 0.000 0.525 287 M N 2.370 122.013 119.600 0.073 0.000 2.162 287 M HA 0.388 4.872 4.480 0.006 0.000 0.356 287 M C -1.680 174.644 176.300 0.039 0.000 1.303 287 M CA -1.732 53.596 55.300 0.046 0.000 1.116 287 M CB 0.591 33.226 32.600 0.058 0.000 1.632 287 M HN -0.016 nan 8.290 nan 0.000 0.469 288 P HA -0.011 nan 4.420 nan 0.000 0.263 288 P C -2.455 174.865 177.300 0.032 0.000 1.168 288 P CA -0.624 62.495 63.100 0.031 0.000 0.759 288 P CB -0.368 31.354 31.700 0.037 0.000 0.782 289 P HA -0.173 nan 4.420 nan 0.000 0.219 289 P C 1.240 178.551 177.300 0.018 0.000 1.146 289 P CA 1.453 64.564 63.100 0.018 0.000 0.808 289 P CB -0.071 31.637 31.700 0.012 0.000 0.779 290 E N -1.197 119.017 120.200 0.024 0.000 2.489 290 E HA 0.063 4.417 4.350 0.006 0.000 0.193 290 E C 1.242 177.861 176.600 0.033 0.000 1.057 290 E CA 0.572 56.986 56.400 0.023 0.000 0.866 290 E CB -0.499 29.215 29.700 0.023 0.000 0.916 290 E HN 0.091 nan 8.360 nan 0.000 0.500 291 S N 0.588 116.315 115.700 0.045 0.000 2.406 291 S HA -0.019 4.455 4.470 0.006 0.000 0.224 291 S C 1.975 176.604 174.600 0.050 0.000 1.030 291 S CA 0.863 59.100 58.200 0.061 0.000 0.958 291 S CB 0.092 63.340 63.200 0.080 0.000 0.811 291 S HN 0.256 nan 8.310 nan 0.000 0.489 292 V N 1.973 121.909 119.914 0.037 0.000 2.913 292 V HA -0.031 4.093 4.120 0.006 0.000 0.260 292 V C 2.396 178.496 176.094 0.009 0.000 1.098 292 V CA 1.229 63.545 62.300 0.026 0.000 1.121 292 V CB -1.463 30.370 31.823 0.017 0.000 0.714 292 V HN 0.458 nan 8.190 nan 0.000 0.487 293 A N 0.238 123.062 122.820 0.006 0.000 1.930 293 A HA -0.154 4.170 4.320 0.006 0.000 0.217 293 A C 2.345 179.917 177.584 -0.020 0.000 1.175 293 A CA 1.686 53.718 52.037 -0.008 0.000 0.627 293 A CB -0.357 18.640 19.000 -0.005 0.000 0.815 293 A HN 0.511 nan 8.150 nan 0.000 0.443 294 K N -0.801 119.592 120.400 -0.013 0.000 2.365 294 K HA 0.090 4.414 4.320 0.006 0.000 0.197 294 K C 1.581 178.141 176.600 -0.066 0.000 1.042 294 K CA 0.661 56.924 56.287 -0.040 0.000 0.987 294 K CB 0.025 32.512 32.500 -0.021 0.000 0.779 294 K HN 0.268 nan 8.250 nan 0.000 0.484 295 V N 0.820 120.722 119.914 -0.019 0.000 2.871 295 V HA -0.112 4.012 4.120 0.006 0.000 0.256 295 V C 1.958 178.022 176.094 -0.051 0.000 1.082 295 V CA 1.501 63.804 62.300 0.005 0.000 1.105 295 V CB -0.104 31.770 31.823 0.086 0.000 0.713 295 V HN 0.302 nan 8.190 nan 0.000 0.473 296 A N 0.425 123.210 122.820 -0.059 0.000 1.908 296 A HA -0.204 4.119 4.320 0.006 0.000 0.218 296 A C 2.524 180.042 177.584 -0.110 0.000 1.181 296 A CA 2.497 54.492 52.037 -0.070 0.000 0.627 296 A CB -0.752 18.213 19.000 -0.058 0.000 0.818 296 A HN 0.783 nan 8.150 nan 0.000 0.445 297 S N -0.247 115.368 115.700 -0.142 0.000 2.425 297 S HA -0.060 4.414 4.470 0.006 0.000 0.225 297 S C 1.670 176.130 174.600 -0.233 0.000 1.024 297 S CA 1.162 59.263 58.200 -0.164 0.000 0.951 297 S CB -0.928 62.177 63.200 -0.158 0.000 0.796 297 S HN 0.723 nan 8.310 nan 0.000 0.498 298 V N 1.505 121.212 119.914 -0.345 0.000 2.788 298 V HA -0.073 4.051 4.120 0.006 0.000 0.251 298 V C 2.562 178.362 176.094 -0.489 0.000 1.068 298 V CA 1.077 63.073 62.300 -0.506 0.000 1.090 298 V CB -1.567 29.751 31.823 -0.842 0.000 0.710 298 V HN 0.651 nan 8.190 nan 0.000 0.467 299 Q N 0.198 119.766 119.800 -0.386 0.000 2.230 299 Q HA -0.120 4.224 4.340 0.006 0.000 0.202 299 Q C 2.067 177.983 176.000 -0.140 0.000 0.963 299 Q CA 1.018 56.676 55.803 -0.241 0.000 0.866 299 Q CB -0.466 28.220 28.738 -0.087 0.000 0.931 299 Q HN 0.566 nan 8.270 nan 0.000 0.452 300 Q N 1.868 121.587 119.800 -0.136 0.000 1.956 300 Q HA -0.174 4.170 4.340 0.006 0.000 0.208 300 Q C 1.733 177.682 176.000 -0.085 0.000 0.998 300 Q CA 1.754 57.500 55.803 -0.096 0.000 0.855 300 Q CB -0.451 28.229 28.738 -0.096 0.000 0.928 300 Q HN 0.282 nan 8.270 nan 0.000 0.418 301 K N 0.509 120.848 120.400 -0.102 0.000 2.555 301 K HA 0.008 4.332 4.320 0.006 0.000 0.193 301 K C 1.817 178.380 176.600 -0.063 0.000 1.032 301 K CA 0.617 56.855 56.287 -0.081 0.000 1.004 301 K CB -0.601 31.846 32.500 -0.089 0.000 0.804 301 K HN 0.399 nan 8.250 nan 0.000 0.496 302 G N 0.882 109.637 108.800 -0.075 0.000 2.545 302 G HA2 -0.310 3.654 3.960 0.006 0.000 0.217 302 G HA3 -0.310 3.654 3.960 0.006 0.000 0.217 302 G C 1.434 176.345 174.900 0.020 0.000 1.218 302 G CA 0.756 45.836 45.100 -0.032 0.000 0.787 302 G HN 0.276 nan 8.290 nan 0.000 0.571 303 R N 0.079 120.585 120.500 0.010 0.000 2.081 303 R HA -0.004 4.340 4.340 0.006 0.000 0.235 303 R C 2.530 178.839 176.300 0.015 0.000 1.131 303 R CA 1.188 57.301 56.100 0.022 0.000 0.960 303 R CB -0.367 29.941 30.300 0.013 0.000 0.856 303 R HN 0.503 nan 8.270 nan 0.000 0.436 304 E N 0.618 120.812 120.200 -0.010 0.000 2.130 304 E HA -0.219 4.134 4.350 0.006 0.000 0.196 304 E C 1.865 178.442 176.600 -0.038 0.000 0.998 304 E CA 1.705 58.089 56.400 -0.026 0.000 0.806 304 E CB 0.067 29.742 29.700 -0.042 0.000 0.738 304 E HN 0.357 nan 8.360 nan 0.000 0.459 305 S N 0.040 115.722 115.700 -0.030 0.000 2.402 305 S HA -0.145 4.329 4.470 0.006 0.000 0.229 305 S C 1.984 176.584 174.600 0.000 0.000 1.021 305 S CA 0.583 58.730 58.200 -0.087 0.000 0.974 305 S CB -0.283 62.920 63.200 0.005 0.000 0.800 305 S HN 0.157 nan 8.310 nan 0.000 0.484 306 L N 2.033 123.337 121.223 0.135 0.000 2.043 306 L HA -0.048 4.296 4.340 0.006 0.000 0.212 306 L C 2.715 179.661 176.870 0.126 0.000 1.075 306 L CA 1.825 56.783 54.840 0.196 0.000 0.752 306 L CB -1.194 40.936 42.059 0.119 0.000 0.891 306 L HN 0.420 nan 8.230 nan 0.000 0.432 307 E N -0.800 119.425 120.200 0.043 0.000 2.077 307 E HA -0.204 4.150 4.350 0.006 0.000 0.193 307 E C 2.318 178.906 176.600 -0.020 0.000 0.989 307 E CA 1.196 57.604 56.400 0.013 0.000 0.800 307 E CB -0.127 29.568 29.700 -0.008 0.000 0.746 307 E HN 0.448 nan 8.360 nan 0.000 0.452 308 I N 0.185 120.699 120.570 -0.093 0.000 2.226 308 I HA -0.292 3.882 4.170 0.006 0.000 0.245 308 I C 1.954 177.988 176.117 -0.138 0.000 1.100 308 I CA 1.098 62.299 61.300 -0.166 0.000 1.374 308 I CB -0.286 37.541 38.000 -0.289 0.000 1.057 308 I HN 0.146 nan 8.210 nan 0.000 0.413 309 Y N 0.885 121.183 120.300 -0.003 0.000 2.145 309 Y HA -0.239 4.315 4.550 0.006 0.000 0.286 309 Y C 2.686 178.580 175.900 -0.010 0.000 1.145 309 Y CA 1.162 59.262 58.100 -0.000 0.000 1.148 309 Y CB -1.137 37.330 38.460 0.013 0.000 0.981 309 Y HN 0.118 nan 8.280 nan 0.000 0.507 310 A N 0.406 123.316 122.820 0.151 0.000 1.883 310 A HA -0.235 4.088 4.320 0.006 0.000 0.217 310 A C 2.164 179.758 177.584 0.017 0.000 1.186 310 A CA 2.022 54.103 52.037 0.072 0.000 0.624 310 A CB -0.784 18.252 19.000 0.059 0.000 0.822 310 A HN 0.446 nan 8.150 nan 0.000 0.444 311 N N 0.339 119.037 118.700 -0.002 0.000 2.120 311 N HA -0.105 4.639 4.740 0.006 0.000 0.188 311 N C 1.754 177.223 175.510 -0.067 0.000 1.024 311 N CA 1.666 54.695 53.050 -0.035 0.000 0.852 311 N CB -0.552 37.910 38.487 -0.040 0.000 1.003 311 N HN 0.475 nan 8.380 nan 0.000 0.424 312 A N -0.215 122.569 122.820 -0.059 0.000 2.119 312 A HA 0.316 4.640 4.320 0.006 0.000 0.216 312 A C 1.265 178.700 177.584 -0.247 0.000 1.152 312 A CA 1.024 52.999 52.037 -0.104 0.000 0.708 312 A CB -0.420 18.569 19.000 -0.018 0.000 0.805 312 A HN 0.362 nan 8.150 nan 0.000 0.460 313 G N -1.042 107.672 108.800 -0.143 0.000 2.303 313 G HA2 -0.092 3.872 3.960 0.006 0.000 0.260 313 G HA3 -0.092 3.872 3.960 0.006 0.000 0.260 313 G C -0.213 174.692 174.900 0.008 0.000 1.106 313 G CA -0.006 44.998 45.100 -0.159 0.000 0.900 313 G HN 0.878 nan 8.290 nan 0.000 0.495 314 V N 0.011 119.970 119.914 0.075 0.000 2.394 314 V HA 0.441 4.564 4.120 0.006 0.000 0.282 314 V C 0.753 176.867 176.094 0.033 0.000 1.031 314 V CA -1.059 61.295 62.300 0.090 0.000 0.881 314 V CB 1.606 33.528 31.823 0.165 0.000 0.982 314 V HN 0.379 nan 8.190 nan 0.000 0.451 315 K N 4.795 125.181 120.400 -0.023 0.000 2.447 315 K HA 0.318 4.642 4.320 0.006 0.000 0.281 315 K C -0.327 176.325 176.600 0.086 0.000 1.031 315 K CA 0.659 56.970 56.287 0.041 0.000 1.019 315 K CB 0.274 32.803 32.500 0.048 0.000 0.918 315 K HN 0.590 nan 8.250 nan 0.000 0.476 316 M N 2.102 121.747 119.600 0.074 0.000 2.227 316 M HA 0.338 4.822 4.480 0.006 0.000 0.335 316 M C 0.353 176.693 176.300 0.067 0.000 1.053 316 M CA -0.561 54.750 55.300 0.019 0.000 0.973 316 M CB 2.081 34.676 32.600 -0.010 0.000 1.623 316 M HN 0.739 nan 8.290 nan 0.000 0.434 317 G N 1.649 110.474 108.800 0.043 0.000 2.491 317 G HA2 0.587 4.551 3.960 0.006 0.000 0.327 317 G HA3 0.587 4.551 3.960 0.006 0.000 0.327 317 G C -1.661 173.285 174.900 0.077 0.000 1.189 317 G CA -0.517 44.623 45.100 0.066 0.000 0.956 317 G HN 0.621 nan 8.290 nan 0.000 0.491 318 F N 0.917 120.847 119.950 -0.034 0.000 2.420 318 F HA 0.584 5.115 4.527 0.006 0.000 0.352 318 F C 0.559 176.326 175.800 -0.055 0.000 1.108 318 F CA -0.011 57.948 58.000 -0.069 0.000 1.162 318 F CB 1.069 40.016 39.000 -0.088 0.000 1.118 318 F HN 0.528 nan 8.300 nan 0.000 0.510 319 G N 2.932 111.489 108.800 -0.406 0.000 2.638 319 G HA2 0.391 4.354 3.960 0.006 0.000 0.302 319 G HA3 0.391 4.354 3.960 0.006 0.000 0.302 319 G C -0.439 174.237 174.900 -0.375 0.000 1.365 319 G CA -0.099 44.861 45.100 -0.234 0.000 0.987 319 G HN 0.778 nan 8.290 nan 0.000 0.495 320 S N 0.624 116.226 115.700 -0.163 0.000 2.517 320 S HA 0.103 4.577 4.470 0.006 0.000 0.228 320 S C 1.009 175.585 174.600 -0.039 0.000 1.060 320 S CA 1.332 59.455 58.200 -0.128 0.000 0.937 320 S CB -0.012 63.158 63.200 -0.051 0.000 0.840 320 S HN 0.766 nan 8.310 nan 0.000 0.546 321 D N 0.530 120.988 120.400 0.096 0.000 2.811 321 D HA -0.122 4.521 4.640 0.006 0.000 0.231 321 D C -0.732 175.622 176.300 0.091 0.000 1.157 321 D CA 0.482 54.617 54.000 0.226 0.000 0.716 321 D CB -1.980 38.928 40.800 0.179 0.000 1.077 321 D HN 0.582 nan 8.370 nan 0.000 0.428 322 L N -0.132 121.095 121.223 0.005 0.000 2.395 322 L HA 0.445 4.789 4.340 0.006 0.000 0.269 322 L C 0.797 177.406 176.870 -0.435 0.000 1.133 322 L CA -0.459 54.288 54.840 -0.155 0.000 0.812 322 L CB 0.789 42.778 42.059 -0.116 0.000 1.125 322 L HN 0.013 nan 8.230 nan 0.000 0.452 323 L N 1.386 122.403 121.223 -0.344 0.000 2.341 323 L HA 0.707 5.051 4.340 0.006 0.000 0.267 323 L C 0.886 177.580 176.870 -0.293 0.000 1.009 323 L CA -0.617 54.029 54.840 -0.322 0.000 0.819 323 L CB 1.543 43.519 42.059 -0.138 0.000 1.323 323 L HN 0.830 nan 8.230 nan 0.000 0.425 324 G N 1.592 110.277 108.800 -0.191 0.000 2.614 324 G HA2 -0.309 3.654 3.960 0.006 0.000 0.303 324 G HA3 -0.309 3.654 3.960 0.006 0.000 0.303 324 G C 0.707 175.510 174.900 -0.163 0.000 1.270 324 G CA 0.574 45.590 45.100 -0.141 0.000 0.988 324 G HN 0.880 nan 8.290 nan 0.000 0.551 325 E N 0.453 120.443 120.200 -0.349 0.000 2.478 325 E HA 0.030 4.384 4.350 0.006 0.000 0.198 325 E C 2.462 178.889 176.600 -0.288 0.000 1.046 325 E CA 1.121 57.295 56.400 -0.377 0.000 0.870 325 E CB -0.194 29.122 29.700 -0.640 0.000 0.818 325 E HN 0.685 nan 8.360 nan 0.000 0.527 326 M N 0.332 119.830 119.600 -0.171 0.000 2.630 326 M HA -0.018 4.466 4.480 0.006 0.000 0.254 326 M C 1.406 177.737 176.300 0.052 0.000 1.092 326 M CA 0.713 56.086 55.300 0.121 0.000 1.087 326 M CB -0.465 32.289 32.600 0.256 0.000 1.453 326 M HN 0.179 nan 8.290 nan 0.000 0.509 327 H N 0.024 119.066 119.070 -0.046 0.000 2.457 327 H HA -0.107 4.453 4.556 0.006 0.000 0.297 327 H C 2.159 177.431 175.328 -0.093 0.000 1.092 327 H CA 1.224 57.246 56.048 -0.044 0.000 1.309 327 H CB 0.171 29.896 29.762 -0.062 0.000 1.382 327 H HN 0.476 nan 8.280 nan 0.000 0.535 328 A N 0.293 123.024 122.820 -0.148 0.000 2.024 328 A HA -0.179 4.145 4.320 0.006 0.000 0.220 328 A C 1.494 178.932 177.584 -0.243 0.000 1.164 328 A CA 1.193 53.052 52.037 -0.297 0.000 0.643 328 A CB -0.760 17.907 19.000 -0.554 0.000 0.806 328 A HN 0.434 nan 8.150 nan 0.000 0.451 329 F N -0.428 119.594 119.950 0.120 0.000 2.731 329 F HA 0.076 4.607 4.527 0.006 0.000 0.304 329 F C 2.094 177.980 175.800 0.142 0.000 1.133 329 F CA 0.431 58.507 58.000 0.127 0.000 1.380 329 F CB -0.130 38.939 39.000 0.114 0.000 1.079 329 F HN 0.331 nan 8.300 nan 0.000 0.550 330 Q N 0.468 120.424 119.800 0.261 0.000 2.133 330 Q HA -0.226 4.118 4.340 0.006 0.000 0.208 330 Q C 2.069 178.291 176.000 0.371 0.000 0.991 330 Q CA 2.233 58.179 55.803 0.239 0.000 0.867 330 Q CB -0.076 28.751 28.738 0.149 0.000 0.911 330 Q HN 0.320 nan 8.270 nan 0.000 0.417 331 S N -0.453 115.514 115.700 0.446 0.000 2.453 331 S HA -0.042 4.432 4.470 0.006 0.000 0.231 331 S C 1.689 176.579 174.600 0.483 0.000 1.005 331 S CA 0.655 59.195 58.200 0.566 0.000 0.949 331 S CB -0.212 63.273 63.200 0.475 0.000 0.774 331 S HN 0.663 nan 8.310 nan 0.000 0.510 332 G N 1.556 110.567 108.800 0.351 0.000 2.499 332 G HA2 -0.271 3.693 3.960 0.006 0.000 0.221 332 G HA3 -0.271 3.693 3.960 0.006 0.000 0.221 332 G C 1.202 176.224 174.900 0.203 0.000 1.109 332 G CA 1.160 46.420 45.100 0.267 0.000 0.749 332 G HN 0.552 nan 8.290 nan 0.000 0.568 333 E N -0.008 120.275 120.200 0.138 0.000 2.160 333 E HA -0.115 4.239 4.350 0.006 0.000 0.195 333 E C 1.909 178.546 176.600 0.062 0.000 0.991 333 E CA 0.724 57.088 56.400 -0.060 0.000 0.810 333 E CB -0.382 29.011 29.700 -0.512 0.000 0.742 333 E HN 0.418 nan 8.360 nan 0.000 0.466 334 F N 0.757 120.893 119.950 0.310 0.000 2.095 334 F HA -0.106 4.425 4.527 0.005 0.000 0.298 334 F C 2.567 178.440 175.800 0.121 0.000 1.104 334 F CA 1.762 59.907 58.000 0.242 0.000 1.232 334 F CB -0.598 38.482 39.000 0.133 0.000 0.987 334 F HN 0.050 nan 8.300 nan 0.000 0.475 335 R N 0.820 121.509 120.500 0.314 0.000 2.080 335 R HA -0.186 4.158 4.340 0.006 0.000 0.236 335 R C 2.268 178.646 176.300 0.131 0.000 1.137 335 R CA 2.117 58.327 56.100 0.183 0.000 0.943 335 R CB -0.663 29.730 30.300 0.154 0.000 0.846 335 R HN 0.281 nan 8.270 nan 0.000 0.431 336 I N 0.577 121.212 120.570 0.109 0.000 2.208 336 I HA -0.309 3.865 4.170 0.006 0.000 0.245 336 I C 2.614 178.773 176.117 0.070 0.000 1.097 336 I CA 1.481 62.823 61.300 0.069 0.000 1.363 336 I CB -0.304 37.721 38.000 0.042 0.000 1.051 336 I HN 0.236 nan 8.210 nan 0.000 0.413 337 R N 0.728 121.280 120.500 0.086 0.000 2.075 337 R HA -0.004 4.340 4.340 0.006 0.000 0.226 337 R C 2.511 178.874 176.300 0.104 0.000 1.114 337 R CA 1.263 57.416 56.100 0.089 0.000 0.972 337 R CB -0.503 29.856 30.300 0.099 0.000 0.869 337 R HN 0.338 nan 8.270 nan 0.000 0.437 338 A N 1.723 124.621 122.820 0.131 0.000 1.948 338 A HA -0.224 4.100 4.320 0.006 0.000 0.220 338 A C 1.897 179.526 177.584 0.074 0.000 1.177 338 A CA 1.563 53.663 52.037 0.106 0.000 0.636 338 A CB -0.380 18.686 19.000 0.111 0.000 0.815 338 A HN 0.353 nan 8.150 nan 0.000 0.449 339 E N -0.763 119.479 120.200 0.070 0.000 2.150 339 E HA -0.082 4.272 4.350 0.006 0.000 0.193 339 E C 1.845 178.472 176.600 0.044 0.000 0.985 339 E CA 1.235 57.666 56.400 0.052 0.000 0.814 339 E CB -0.075 29.655 29.700 0.048 0.000 0.752 339 E HN 0.500 nan 8.360 nan 0.000 0.466 340 V N 0.647 120.591 119.914 0.050 0.000 2.492 340 V HA 0.024 4.148 4.120 0.006 0.000 0.241 340 V C 0.964 177.085 176.094 0.045 0.000 1.041 340 V CA 0.683 63.009 62.300 0.043 0.000 1.057 340 V CB -0.047 31.804 31.823 0.046 0.000 0.711 340 V HN 0.059 nan 8.190 nan 0.000 0.468 341 L N -0.171 121.085 121.223 0.055 0.000 2.334 341 L HA 0.754 5.098 4.340 0.006 0.000 0.270 341 L C 0.812 177.715 176.870 0.056 0.000 1.018 341 L CA -0.576 54.297 54.840 0.054 0.000 0.811 341 L CB 0.587 42.685 42.059 0.064 0.000 1.271 341 L HN 0.179 nan 8.230 nan 0.000 0.443 342 G N 0.336 109.164 108.800 0.047 0.000 2.562 342 G HA2 -0.052 3.912 3.960 0.006 0.000 0.233 342 G HA3 -0.052 3.912 3.960 0.006 0.000 0.233 342 G C 0.727 175.660 174.900 0.055 0.000 1.266 342 G CA -0.261 44.865 45.100 0.044 0.000 0.852 342 G HN 0.909 nan 8.290 nan 0.000 0.581 343 N N 1.323 120.052 118.700 0.048 0.000 2.573 343 N HA -0.106 4.638 4.740 0.006 0.000 0.187 343 N C 1.840 177.376 175.510 0.044 0.000 1.107 343 N CA 0.286 53.369 53.050 0.054 0.000 0.918 343 N CB -0.123 38.385 38.487 0.035 0.000 0.966 343 N HN 0.447 nan 8.380 nan 0.000 0.448 344 L N 0.277 121.522 121.223 0.038 0.000 1.970 344 L HA -0.189 4.155 4.340 0.006 0.000 0.212 344 L C 2.295 179.202 176.870 0.062 0.000 1.071 344 L CA 1.937 56.800 54.840 0.038 0.000 0.751 344 L CB -0.307 41.771 42.059 0.031 0.000 0.889 344 L HN 0.131 nan 8.230 nan 0.000 0.432 345 E N 0.031 120.273 120.200 0.070 0.000 2.085 345 E HA -0.225 4.129 4.350 0.006 0.000 0.194 345 E C 2.012 178.689 176.600 0.128 0.000 0.994 345 E CA 1.678 58.131 56.400 0.088 0.000 0.801 345 E CB -0.222 29.525 29.700 0.079 0.000 0.743 345 E HN 0.533 nan 8.360 nan 0.000 0.453 346 A N 0.212 123.124 122.820 0.154 0.000 1.883 346 A HA -0.172 4.151 4.320 0.006 0.000 0.217 346 A C 2.321 180.102 177.584 0.328 0.000 1.186 346 A CA 1.558 53.751 52.037 0.259 0.000 0.624 346 A CB -0.765 18.415 19.000 0.300 0.000 0.822 346 A HN 0.319 nan 8.150 nan 0.000 0.444 347 L N -1.278 120.063 121.223 0.197 0.000 2.046 347 L HA -0.165 4.179 4.340 0.006 0.000 0.208 347 L C 2.859 179.814 176.870 0.142 0.000 1.077 347 L CA 1.260 56.181 54.840 0.135 0.000 0.747 347 L CB -0.505 41.561 42.059 0.013 0.000 0.896 347 L HN 0.345 nan 8.230 nan 0.000 0.432 348 R N -0.050 120.522 120.500 0.120 0.000 2.120 348 R HA -0.150 4.194 4.340 0.006 0.000 0.234 348 R C 2.629 179.004 176.300 0.126 0.000 1.123 348 R CA 1.652 57.816 56.100 0.106 0.000 0.975 348 R CB -0.399 29.954 30.300 0.089 0.000 0.866 348 R HN 0.495 nan 8.270 nan 0.000 0.446 349 S N 0.310 116.105 115.700 0.158 0.000 2.382 349 S HA -0.091 4.383 4.470 0.006 0.000 0.228 349 S C 1.897 176.609 174.600 0.186 0.000 1.027 349 S CA 1.180 59.485 58.200 0.175 0.000 0.991 349 S CB 0.055 63.380 63.200 0.208 0.000 0.823 349 S HN 0.334 nan 8.310 nan 0.000 0.469 350 A N 0.676 123.593 122.820 0.161 0.000 2.308 350 A HA 0.393 4.717 4.320 0.006 0.000 0.217 350 A C 1.813 179.474 177.584 0.128 0.000 1.216 350 A CA 0.753 52.827 52.037 0.062 0.000 0.864 350 A CB -0.351 18.489 19.000 -0.266 0.000 0.902 350 A HN 0.759 nan 8.150 nan 0.000 0.499 351 T N -4.335 110.296 114.554 0.128 0.000 3.426 351 T HA 0.026 4.380 4.350 0.006 0.000 0.195 351 T C 1.955 176.704 174.700 0.081 0.000 0.963 351 T CA 1.259 63.429 62.100 0.116 0.000 1.154 351 T CB -0.859 68.078 68.868 0.115 0.000 1.377 351 T HN 0.295 nan 8.240 nan 0.000 0.342 352 T N 1.239 115.838 114.554 0.074 0.000 2.732 352 T HA -0.010 4.343 4.350 0.006 0.000 0.261 352 T C 2.093 176.828 174.700 0.057 0.000 1.040 352 T CA 1.402 63.538 62.100 0.059 0.000 1.145 352 T CB -1.251 67.653 68.868 0.059 0.000 0.866 352 T HN 0.173 nan 8.240 nan 0.000 0.427 353 V N 2.920 122.881 119.914 0.078 0.000 2.282 353 V HA -0.153 3.971 4.120 0.006 0.000 0.249 353 V C 3.331 179.427 176.094 0.003 0.000 1.057 353 V CA 1.875 64.230 62.300 0.091 0.000 1.032 353 V CB -1.697 30.201 31.823 0.126 0.000 0.645 353 V HN 0.726 nan 8.190 nan 0.000 0.447 354 A N 0.283 123.111 122.820 0.014 0.000 1.859 354 A HA -0.225 4.099 4.320 0.006 0.000 0.217 354 A C 2.482 180.010 177.584 -0.093 0.000 1.198 354 A CA 2.717 54.737 52.037 -0.028 0.000 0.629 354 A CB -1.156 17.878 19.000 0.057 0.000 0.830 354 A HN 0.656 nan 8.150 nan 0.000 0.446 355 A N -0.697 122.101 122.820 -0.037 0.000 1.948 355 A HA -0.251 4.072 4.320 0.006 0.000 0.220 355 A C 2.043 179.558 177.584 -0.114 0.000 1.177 355 A CA 2.081 54.086 52.037 -0.053 0.000 0.636 355 A CB -0.610 18.392 19.000 0.003 0.000 0.815 355 A HN 0.731 nan 8.150 nan 0.000 0.449 356 E N -0.338 119.795 120.200 -0.111 0.000 2.051 356 E HA -0.170 4.184 4.350 0.006 0.000 0.192 356 E C 1.887 178.250 176.600 -0.397 0.000 0.991 356 E CA 1.174 57.490 56.400 -0.141 0.000 0.799 356 E CB -0.231 29.474 29.700 0.008 0.000 0.748 356 E HN 0.662 nan 8.360 nan 0.000 0.449 357 I N 0.939 121.119 120.570 -0.650 0.000 2.151 357 I HA -0.267 3.907 4.170 0.006 0.000 0.243 357 I C 2.237 177.985 176.117 -0.616 0.000 1.080 357 I CA 1.402 62.146 61.300 -0.927 0.000 1.339 357 I CB -0.173 37.387 38.000 -0.734 0.000 1.039 357 I HN 0.181 nan 8.210 nan 0.000 0.409 358 V N -1.772 117.879 119.914 -0.437 0.000 3.620 358 V HA 0.178 4.302 4.120 0.006 0.000 0.286 358 V C 0.608 176.503 176.094 -0.332 0.000 1.288 358 V CA 0.078 62.097 62.300 -0.469 0.000 1.178 358 V CB -1.012 30.300 31.823 -0.851 0.000 0.986 358 V HN 0.603 nan 8.190 nan 0.000 0.431 359 N N 0.422 118.979 118.700 -0.238 0.000 2.776 359 N HA -0.162 4.581 4.740 0.006 0.000 0.250 359 N C 0.341 175.818 175.510 -0.055 0.000 1.112 359 N CA 1.390 54.372 53.050 -0.114 0.000 0.733 359 N CB -0.968 37.494 38.487 -0.041 0.000 1.097 359 N HN 0.531 nan 8.380 nan 0.000 0.558 360 M N 0.102 119.663 119.600 -0.064 0.000 2.778 360 M HA 0.125 4.608 4.480 0.006 0.000 0.359 360 M C 0.588 176.891 176.300 0.005 0.000 1.216 360 M CA -0.111 55.189 55.300 -0.000 0.000 0.935 360 M CB 0.081 32.705 32.600 0.038 0.000 1.330 360 M HN 0.073 nan 8.290 nan 0.000 0.516 361 Q N 0.544 120.340 119.800 -0.005 0.000 2.264 361 Q HA 0.215 4.558 4.340 0.006 0.000 0.296 361 Q C 1.188 177.200 176.000 0.020 0.000 1.103 361 Q CA 1.560 57.369 55.803 0.010 0.000 0.967 361 Q CB 0.328 29.075 28.738 0.015 0.000 1.090 361 Q HN 0.814 nan 8.270 nan 0.000 0.379 362 G N 3.141 111.955 108.800 0.024 0.000 2.268 362 G HA2 -0.309 3.655 3.960 0.006 0.000 0.240 362 G HA3 -0.309 3.655 3.960 0.006 0.000 0.240 362 G C 0.799 175.716 174.900 0.028 0.000 1.010 362 G CA 0.445 45.560 45.100 0.025 0.000 0.618 362 G HN 0.583 nan 8.290 nan 0.000 0.516 363 Q N -0.139 119.681 119.800 0.033 0.000 2.134 363 Q HA 0.529 4.873 4.340 0.006 0.000 0.195 363 Q C 1.438 177.465 176.000 0.044 0.000 0.958 363 Q CA 1.070 56.898 55.803 0.041 0.000 0.840 363 Q CB 0.095 28.866 28.738 0.055 0.000 0.918 363 Q HN 0.646 nan 8.270 nan 0.000 0.467 364 L N -2.595 118.658 121.223 0.050 0.000 2.279 364 L HA 0.570 4.914 4.340 0.006 0.000 0.262 364 L C 0.624 177.521 176.870 0.045 0.000 1.019 364 L CA -0.454 54.419 54.840 0.055 0.000 0.823 364 L CB 1.922 44.034 42.059 0.088 0.000 1.358 364 L HN 0.376 nan 8.230 nan 0.000 0.432 365 G N 0.593 109.421 108.800 0.047 0.000 2.148 365 G HA2 -0.211 3.753 3.960 0.006 0.000 0.254 365 G HA3 -0.211 3.753 3.960 0.006 0.000 0.254 365 G C -0.491 174.433 174.900 0.041 0.000 0.981 365 G CA 0.351 45.482 45.100 0.052 0.000 0.670 365 G HN 0.498 nan 8.290 nan 0.000 0.528 366 V N 0.537 120.469 119.914 0.030 0.000 2.891 366 V HA 0.610 4.733 4.120 0.006 0.000 0.304 366 V C -0.348 175.754 176.094 0.015 0.000 1.171 366 V CA -1.131 61.182 62.300 0.023 0.000 0.943 366 V CB 1.736 33.574 31.823 0.024 0.000 1.037 366 V HN 0.319 nan 8.190 nan 0.000 0.427 367 I N 6.520 127.096 120.570 0.009 0.000 2.294 367 I HA 0.688 4.862 4.170 0.006 0.000 0.295 367 I C 0.366 176.491 176.117 0.013 0.000 1.098 367 I CA 0.300 61.603 61.300 0.006 0.000 1.277 367 I CB 0.697 38.696 38.000 -0.001 0.000 1.434 367 I HN 0.796 nan 8.210 nan 0.000 0.498 368 A N 5.147 127.976 122.820 0.016 0.000 2.612 368 A HA 0.611 4.935 4.320 0.006 0.000 0.293 368 A C -0.849 176.747 177.584 0.020 0.000 1.075 368 A CA -0.556 51.493 52.037 0.020 0.000 0.680 368 A CB 1.320 20.331 19.000 0.019 0.000 1.279 368 A HN 0.195 nan 8.150 nan 0.000 0.411 369 V N 1.552 121.478 119.914 0.021 0.000 2.485 369 V HA 0.442 4.566 4.120 0.006 0.000 0.287 369 V C 1.513 177.617 176.094 0.016 0.000 1.022 369 V CA 2.026 64.337 62.300 0.019 0.000 1.067 369 V CB 0.149 31.984 31.823 0.019 0.000 0.967 369 V HN 2.333 nan 8.190 nan 0.000 0.479 370 G N 3.706 112.515 108.800 0.014 0.000 2.218 370 G HA2 -0.078 3.886 3.960 0.006 0.000 0.216 370 G HA3 -0.078 3.886 3.960 0.006 0.000 0.216 370 G C 0.400 175.309 174.900 0.015 0.000 0.994 370 G CA 0.126 45.235 45.100 0.014 0.000 0.637 370 G HN 1.372 nan 8.290 nan 0.000 0.505 371 A N 0.206 123.035 122.820 0.016 0.000 2.313 371 A HA 0.748 5.072 4.320 0.006 0.000 0.261 371 A C 0.656 178.248 177.584 0.013 0.000 1.090 371 A CA -0.183 51.864 52.037 0.017 0.000 0.807 371 A CB 0.310 19.321 19.000 0.017 0.000 1.055 371 A HN 0.765 nan 8.150 nan 0.000 0.492 372 I N 0.767 121.347 120.570 0.016 0.000 2.634 372 I HA 0.209 4.383 4.170 0.006 0.000 0.284 372 I C 1.085 177.202 176.117 0.001 0.000 1.124 372 I CA 0.081 61.387 61.300 0.010 0.000 1.417 372 I CB 1.256 39.267 38.000 0.018 0.000 1.396 372 I HN 0.663 nan 8.210 nan 0.000 0.571 373 A N 4.898 127.713 122.820 -0.008 0.000 3.063 373 A HA 0.187 4.511 4.320 0.006 0.000 0.263 373 A C -0.506 177.062 177.584 -0.028 0.000 1.736 373 A CA -0.282 51.744 52.037 -0.018 0.000 1.408 373 A CB -0.937 18.051 19.000 -0.020 0.000 1.108 373 A HN 0.619 nan 8.150 nan 0.000 0.621 374 D N 1.326 121.708 120.400 -0.029 0.000 2.473 374 D HA 0.496 5.140 4.640 0.006 0.000 0.226 374 D C -0.548 175.707 176.300 -0.076 0.000 1.089 374 D CA 0.125 54.096 54.000 -0.048 0.000 0.883 374 D CB 0.944 41.725 40.800 -0.031 0.000 1.029 374 D HN 0.134 nan 8.370 nan 0.000 0.517 375 L N 1.985 123.153 121.223 -0.093 0.000 2.354 375 L HA 0.587 4.931 4.340 0.006 0.000 0.269 375 L C -0.282 176.492 176.870 -0.160 0.000 1.005 375 L CA -1.144 53.629 54.840 -0.110 0.000 0.819 375 L CB 1.991 44.006 42.059 -0.073 0.000 1.311 375 L HN 0.040 nan 8.230 nan 0.000 0.423 376 V N 2.532 122.321 119.914 -0.208 0.000 2.555 376 V HA 0.581 4.705 4.120 0.006 0.000 0.302 376 V C -0.415 175.610 176.094 -0.115 0.000 1.038 376 V CA -0.762 61.395 62.300 -0.238 0.000 0.887 376 V CB 2.556 34.067 31.823 -0.521 0.000 0.991 376 V HN 0.431 nan 8.190 nan 0.000 0.434 377 V N 6.026 125.918 119.914 -0.037 0.000 2.384 377 V HA 0.490 4.614 4.120 0.006 0.000 0.287 377 V C -0.658 175.436 176.094 0.001 0.000 1.020 377 V CA -0.516 61.800 62.300 0.027 0.000 0.850 377 V CB 1.512 33.443 31.823 0.180 0.000 0.987 377 V HN 0.532 nan 8.190 nan 0.000 0.436 378 L N 4.159 125.374 121.223 -0.013 0.000 2.362 378 L HA 0.533 4.876 4.340 0.006 0.000 0.275 378 L C -0.259 176.596 176.870 -0.025 0.000 0.998 378 L CA -0.324 54.501 54.840 -0.025 0.000 0.820 378 L CB 1.717 43.763 42.059 -0.021 0.000 1.270 378 L HN 0.667 nan 8.230 nan 0.000 0.415 379 D N 3.084 123.466 120.400 -0.031 0.000 2.483 379 D HA 0.552 5.195 4.640 0.006 0.000 0.220 379 D C 0.174 176.458 176.300 -0.027 0.000 1.173 379 D CA 0.795 54.777 54.000 -0.030 0.000 0.964 379 D CB 0.038 40.817 40.800 -0.035 0.000 1.046 379 D HN 0.786 nan 8.370 nan 0.000 0.517 380 G N 2.438 111.221 108.800 -0.029 0.000 2.340 380 G HA2 0.015 3.979 3.960 0.006 0.000 0.527 380 G HA3 0.015 3.979 3.960 0.006 0.000 0.527 380 G C -1.288 173.591 174.900 -0.035 0.000 1.381 380 G CA -1.185 43.898 45.100 -0.029 0.000 1.001 380 G HN 0.484 nan 8.290 nan 0.000 0.626 381 N N 1.002 119.682 118.700 -0.034 0.000 2.511 381 N HA 0.618 5.362 4.740 0.006 0.000 0.249 381 N C -0.782 174.702 175.510 -0.044 0.000 0.971 381 N CA -1.973 51.054 53.050 -0.038 0.000 0.938 381 N CB 2.327 40.795 38.487 -0.031 0.000 1.131 381 N HN 0.185 nan 8.380 nan 0.000 0.505 382 P HA -0.097 nan 4.420 nan 0.000 0.226 382 P C 1.156 178.418 177.300 -0.064 0.000 1.153 382 P CA 0.307 63.355 63.100 -0.086 0.000 0.777 382 P CB 0.444 32.062 31.700 -0.136 0.000 0.794 383 L N -0.222 120.974 121.223 -0.045 0.000 2.275 383 L HA -0.021 4.323 4.340 0.006 0.000 0.215 383 L C 2.152 179.011 176.870 -0.017 0.000 1.119 383 L CA 1.812 56.635 54.840 -0.028 0.000 0.790 383 L CB -1.052 40.993 42.059 -0.022 0.000 0.919 383 L HN -0.055 nan 8.230 nan 0.000 0.443 384 E N -2.033 118.156 120.200 -0.020 0.000 2.354 384 E HA 0.016 4.370 4.350 0.006 0.000 0.203 384 E C -0.119 176.475 176.600 -0.010 0.000 0.841 384 E CA 0.018 56.411 56.400 -0.011 0.000 1.046 384 E CB 0.701 30.396 29.700 -0.009 0.000 1.040 384 E HN 0.143 nan 8.360 nan 0.000 0.504 385 D N 0.320 120.709 120.400 -0.018 0.000 2.441 385 D HA 0.098 4.742 4.640 0.006 0.000 0.231 385 D C 0.228 176.509 176.300 -0.032 0.000 1.073 385 D CA -0.284 53.707 54.000 -0.015 0.000 0.850 385 D CB 1.170 41.963 40.800 -0.012 0.000 1.062 385 D HN -0.045 nan 8.370 nan 0.000 0.524 386 I N 3.352 123.908 120.570 -0.023 0.000 2.756 386 I HA 0.100 4.273 4.170 0.006 0.000 0.262 386 I C 2.019 178.112 176.117 -0.039 0.000 1.225 386 I CA 0.962 62.237 61.300 -0.042 0.000 1.472 386 I CB -0.210 37.796 38.000 0.010 0.000 1.094 386 I HN 0.590 nan 8.210 nan 0.000 0.454 387 G N -0.057 108.739 108.800 -0.007 0.000 2.470 387 G HA2 -0.201 3.763 3.960 0.006 0.000 0.220 387 G HA3 -0.201 3.763 3.960 0.006 0.000 0.220 387 G C 1.694 176.588 174.900 -0.010 0.000 1.121 387 G CA 1.049 46.156 45.100 0.011 0.000 0.766 387 G HN 0.470 nan 8.290 nan 0.000 0.553 388 V N -1.148 118.741 119.914 -0.042 0.000 2.913 388 V HA -0.024 4.099 4.120 0.006 0.000 0.260 388 V C 2.204 178.258 176.094 -0.067 0.000 1.098 388 V CA 1.763 64.036 62.300 -0.044 0.000 1.121 388 V CB -0.169 31.626 31.823 -0.047 0.000 0.714 388 V HN 0.150 nan 8.190 nan 0.000 0.487 389 V N 0.239 120.066 119.914 -0.145 0.000 3.048 389 V HA 0.416 4.540 4.120 0.006 0.000 0.241 389 V C 2.580 178.628 176.094 -0.076 0.000 1.129 389 V CA 0.974 63.125 62.300 -0.248 0.000 1.128 389 V CB -0.307 31.047 31.823 -0.782 0.000 0.849 389 V HN 0.515 nan 8.190 nan 0.000 0.475 390 A N -0.277 122.548 122.820 0.008 0.000 2.276 390 A HA 0.055 4.378 4.320 0.006 0.000 0.212 390 A C 1.092 178.785 177.584 0.183 0.000 1.230 390 A CA 0.791 52.950 52.037 0.204 0.000 0.844 390 A CB -0.524 18.611 19.000 0.225 0.000 0.860 390 A HN 0.469 nan 8.150 nan 0.000 0.486 391 D N -0.036 120.440 120.400 0.128 0.000 2.615 391 D HA 0.194 4.838 4.640 0.006 0.000 0.236 391 D C 0.089 176.464 176.300 0.126 0.000 1.233 391 D CA -0.033 54.038 54.000 0.119 0.000 0.829 391 D CB -0.431 40.414 40.800 0.075 0.000 1.024 391 D HN 0.417 nan 8.370 nan 0.000 0.490 392 E N -0.749 119.553 120.200 0.169 0.000 2.298 392 E HA -0.216 4.138 4.350 0.006 0.000 0.235 392 E C 0.951 177.625 176.600 0.122 0.000 1.167 392 E CA 0.460 56.958 56.400 0.164 0.000 0.708 392 E CB -1.264 28.513 29.700 0.129 0.000 1.236 392 E HN 0.539 nan 8.360 nan 0.000 0.386 393 G N -1.077 107.802 108.800 0.130 0.000 2.189 393 G HA2 -0.414 3.550 3.960 0.006 0.000 0.267 393 G HA3 -0.414 3.550 3.960 0.006 0.000 0.267 393 G C 1.076 176.001 174.900 0.042 0.000 0.975 393 G CA 1.142 46.294 45.100 0.087 0.000 0.644 393 G HN 1.148 nan 8.290 nan 0.000 0.537 394 A N -0.066 122.780 122.820 0.043 0.000 1.917 394 A HA 0.039 4.362 4.320 0.006 0.000 0.219 394 A C 2.076 179.659 177.584 -0.001 0.000 1.182 394 A CA 2.178 54.228 52.037 0.021 0.000 0.633 394 A CB -0.235 18.783 19.000 0.030 0.000 0.819 394 A HN 0.513 nan 8.150 nan 0.000 0.448 395 R N -1.279 119.221 120.500 0.001 0.000 2.586 395 R HA 0.305 4.649 4.340 0.006 0.000 0.336 395 R C -0.709 175.572 176.300 -0.030 0.000 1.060 395 R CA -0.012 56.077 56.100 -0.018 0.000 1.079 395 R CB 0.809 31.102 30.300 -0.012 0.000 1.317 395 R HN 0.268 nan 8.270 nan 0.000 0.568 396 V N 1.666 121.559 119.914 -0.034 0.000 2.357 396 V HA 0.227 4.350 4.120 0.006 0.000 0.284 396 V C 0.478 176.505 176.094 -0.112 0.000 1.018 396 V CA -0.295 61.971 62.300 -0.057 0.000 0.841 396 V CB 1.520 33.320 31.823 -0.037 0.000 0.991 396 V HN 0.399 nan 8.190 nan 0.000 0.437 397 E N 5.592 125.686 120.200 -0.177 0.000 2.490 397 E HA 0.108 4.462 4.350 0.006 0.000 0.209 397 E C -0.955 175.280 176.600 -0.608 0.000 0.971 397 E CA -0.033 56.144 56.400 -0.372 0.000 0.988 397 E CB 0.526 29.959 29.700 -0.444 0.000 1.029 397 E HN 0.655 nan 8.360 nan 0.000 0.496 398 Y N 0.244 120.508 120.300 -0.060 0.000 2.442 398 Y HA 0.472 5.026 4.550 0.006 0.000 0.344 398 Y C -0.504 175.339 175.900 -0.096 0.000 0.976 398 Y CA -1.085 56.975 58.100 -0.067 0.000 1.040 398 Y CB 2.474 40.898 38.460 -0.060 0.000 1.228 398 Y HN -0.244 nan 8.280 nan 0.000 0.451 399 V N 4.824 124.782 119.914 0.072 0.000 2.444 399 V HA 0.454 4.578 4.120 0.006 0.000 0.294 399 V C -0.838 175.249 176.094 -0.012 0.000 1.022 399 V CA -0.708 61.578 62.300 -0.024 0.000 0.850 399 V CB 1.668 33.454 31.823 -0.062 0.000 0.992 399 V HN 0.510 nan 8.190 nan 0.000 0.426 400 L N 4.010 125.207 121.223 -0.044 0.000 2.317 400 L HA 0.624 4.968 4.340 0.006 0.000 0.281 400 L C -0.171 176.668 176.870 -0.053 0.000 1.024 400 L CA 0.194 55.007 54.840 -0.044 0.000 0.810 400 L CB 1.757 43.785 42.059 -0.051 0.000 1.240 400 L HN 0.714 nan 8.230 nan 0.000 0.427 401 Q N 3.381 123.155 119.800 -0.042 0.000 2.290 401 Q HA 0.421 4.765 4.340 0.006 0.000 0.269 401 Q C -0.676 175.303 176.000 -0.036 0.000 1.016 401 Q CA -0.645 55.133 55.803 -0.041 0.000 0.754 401 Q CB 1.019 29.733 28.738 -0.041 0.000 1.247 401 Q HN 0.458 nan 8.270 nan 0.000 0.451 402 R N 2.715 123.196 120.500 -0.032 0.000 3.251 402 R HA -0.323 4.021 4.340 0.006 0.000 0.249 402 R C 0.630 176.914 176.300 -0.026 0.000 0.949 402 R CA 0.753 56.837 56.100 -0.026 0.000 0.645 402 R CB -1.910 28.373 30.300 -0.030 0.000 1.065 402 R HN 1.176 nan 8.270 nan 0.000 0.452 403 G N -1.395 107.388 108.800 -0.028 0.000 2.812 403 G HA2 -0.408 3.556 3.960 0.006 0.000 0.219 403 G HA3 -0.408 3.556 3.960 0.006 0.000 0.219 403 G C 0.262 175.142 174.900 -0.033 0.000 1.275 403 G CA 0.637 45.720 45.100 -0.028 0.000 0.769 403 G HN 0.795 nan 8.290 nan 0.000 0.527 404 T N 0.536 115.071 114.554 -0.031 0.000 2.882 404 T HA 0.596 4.949 4.350 0.006 0.000 0.287 404 T C 0.216 174.899 174.700 -0.029 0.000 1.014 404 T CA 0.258 62.340 62.100 -0.030 0.000 1.049 404 T CB 1.547 70.399 68.868 -0.027 0.000 1.001 404 T HN 1.328 nan 8.240 nan 0.000 0.525 405 L N 4.820 126.029 121.223 -0.025 0.000 2.265 405 L HA 0.488 4.832 4.340 0.006 0.000 0.288 405 L C 0.485 177.357 176.870 0.004 0.000 1.058 405 L CA -0.046 54.788 54.840 -0.010 0.000 0.809 405 L CB 1.000 43.051 42.059 -0.013 0.000 1.179 405 L HN 0.651 nan 8.230 nan 0.000 0.429 406 V N 2.265 122.183 119.914 0.007 0.000 3.455 406 V HA 0.358 4.482 4.120 0.006 0.000 0.250 406 V C 0.481 176.580 176.094 0.008 0.000 1.230 406 V CA 0.178 62.478 62.300 -0.000 0.000 1.105 406 V CB -0.527 31.287 31.823 -0.015 0.000 0.850 406 V HN 0.605 nan 8.190 nan 0.000 0.461 407 K N 1.714 122.129 120.400 0.024 0.000 2.443 407 K HA 0.561 4.885 4.320 0.006 0.000 0.252 407 K C -1.100 175.527 176.600 0.044 0.000 0.933 407 K CA -0.375 55.921 56.287 0.015 0.000 0.792 407 K CB 3.059 35.552 32.500 -0.011 0.000 1.185 407 K HN 0.145 nan 8.250 nan 0.000 0.425 408 R N 3.285 123.791 120.500 0.010 0.000 2.435 408 R HA 0.252 4.596 4.340 0.006 0.000 0.308 408 R C -0.793 175.431 176.300 -0.127 0.000 0.975 408 R CA -0.124 55.948 56.100 -0.046 0.000 0.867 408 R CB 1.000 31.343 30.300 0.070 0.000 1.171 408 R HN 0.687 nan 8.270 nan 0.000 0.470 409 Q N 0.000 119.656 119.800 -0.240 0.000 2.315 409 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 409 Q CA 0.000 55.703 55.803 -0.167 0.000 1.022 409 Q CB 0.000 28.661 28.738 -0.129 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481