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_H DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG 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 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 3 I N -0.195 120.366 120.570 -0.014 0.000 2.787 3 I HA 0.660 4.830 4.170 0.001 0.000 0.294 3 I C -1.922 174.184 176.117 -0.018 0.000 1.365 3 I CA -0.175 61.116 61.300 -0.014 0.000 1.029 3 I CB 2.256 40.249 38.000 -0.012 0.000 1.313 3 I HN 0.970 nan 8.210 nan 0.000 0.431 4 T N 5.556 120.099 114.554 -0.020 0.000 2.909 4 T HA 0.635 4.986 4.350 0.001 0.000 0.299 4 T C -1.435 173.253 174.700 -0.021 0.000 1.073 4 T CA -0.493 61.590 62.100 -0.027 0.000 0.999 4 T CB 2.153 70.998 68.868 -0.039 0.000 1.098 4 T HN 0.326 nan 8.240 nan 0.000 0.477 5 V N 3.966 123.867 119.914 -0.021 0.000 2.443 5 V HA 0.367 4.487 4.120 0.001 0.000 0.293 5 V C -0.899 175.183 176.094 -0.021 0.000 1.021 5 V CA -0.973 61.328 62.300 0.001 0.000 0.848 5 V CB 1.567 33.411 31.823 0.035 0.000 0.998 5 V HN 0.644 nan 8.190 nan 0.000 0.424 6 L N 5.933 127.136 121.223 -0.034 0.000 2.315 6 L HA 0.385 4.726 4.340 0.001 0.000 0.283 6 L C 0.470 177.311 176.870 -0.047 0.000 1.089 6 L CA 0.357 55.154 54.840 -0.071 0.000 0.833 6 L CB 0.606 42.613 42.059 -0.086 0.000 1.170 6 L HN 0.820 nan 8.230 nan 0.000 0.442 7 Q N 1.312 121.066 119.800 -0.076 0.000 2.307 7 Q HA 0.623 4.963 4.340 0.001 0.000 0.262 7 Q C 0.610 176.408 176.000 -0.337 0.000 0.961 7 Q CA -0.401 55.303 55.803 -0.166 0.000 0.882 7 Q CB 1.671 30.443 28.738 0.057 0.000 1.264 7 Q HN 0.790 nan 8.270 nan 0.000 0.446 8 G N 2.056 110.454 108.800 -0.671 0.000 2.147 8 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 8 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 8 G C 0.352 175.090 174.900 -0.271 0.000 1.005 8 G CA -0.258 44.612 45.100 -0.383 0.000 0.713 8 G HN 1.002 nan 8.290 nan 0.000 0.515 9 G N -0.580 108.092 108.800 -0.213 0.000 2.634 9 G HA2 0.471 4.431 3.960 0.001 0.000 0.255 9 G HA3 0.471 4.431 3.960 0.001 0.000 0.255 9 G C 0.013 174.828 174.900 -0.142 0.000 1.205 9 G CA -0.286 44.722 45.100 -0.154 0.000 0.884 9 G HN 0.527 nan 8.290 nan 0.000 0.549 10 N N -0.199 118.426 118.700 -0.124 0.000 2.589 10 N HA 0.322 5.062 4.740 0.001 0.000 0.232 10 N C -0.486 174.978 175.510 -0.076 0.000 1.015 10 N CA -0.572 52.421 53.050 -0.096 0.000 0.931 10 N CB 2.023 40.452 38.487 -0.098 0.000 1.150 10 N HN 0.190 nan 8.380 nan 0.000 0.512 11 V N 2.857 122.725 119.914 -0.077 0.000 2.529 11 V HA -0.026 4.094 4.120 0.001 0.000 0.292 11 V C 0.639 176.681 176.094 -0.087 0.000 1.028 11 V CA -0.197 62.058 62.300 -0.075 0.000 1.074 11 V CB 0.556 32.336 31.823 -0.073 0.000 0.958 11 V HN 0.627 nan 8.190 nan 0.000 0.481 12 L N 5.514 126.704 121.223 -0.054 0.000 2.315 12 L HA 0.306 4.647 4.340 0.001 0.000 0.283 12 L C 0.308 177.157 176.870 -0.035 0.000 1.089 12 L CA 0.127 54.942 54.840 -0.042 0.000 0.833 12 L CB 0.551 42.599 42.059 -0.020 0.000 1.170 12 L HN 0.700 nan 8.230 nan 0.000 0.442 13 D N 4.711 125.086 120.400 -0.042 0.000 2.303 13 D HA 0.173 4.813 4.640 0.001 0.000 0.236 13 D C 0.595 176.890 176.300 -0.009 0.000 1.068 13 D CA -0.408 53.576 54.000 -0.027 0.000 0.830 13 D CB 1.786 42.560 40.800 -0.042 0.000 1.109 13 D HN 0.496 nan 8.370 nan 0.000 0.496 14 L N 3.207 124.434 121.223 0.007 0.000 2.307 14 L HA -0.020 4.320 4.340 0.001 0.000 0.211 14 L C 2.343 179.226 176.870 0.022 0.000 1.099 14 L CA 0.377 55.229 54.840 0.020 0.000 0.816 14 L CB 0.059 42.140 42.059 0.035 0.000 0.952 14 L HN 0.483 nan 8.230 nan 0.000 0.455 15 E N 0.248 120.460 120.200 0.019 0.000 2.371 15 E HA -0.127 4.223 4.350 0.001 0.000 0.194 15 E C 1.715 178.324 176.600 0.014 0.000 1.012 15 E CA 0.621 57.033 56.400 0.020 0.000 0.860 15 E CB 0.087 29.799 29.700 0.021 0.000 0.811 15 E HN 0.445 nan 8.360 nan 0.000 0.502 16 R N -0.053 120.452 120.500 0.008 0.000 2.225 16 R HA 0.195 4.535 4.340 0.001 0.000 0.194 16 R C 0.976 177.278 176.300 0.003 0.000 0.957 16 R CA 0.637 56.740 56.100 0.005 0.000 1.042 16 R CB 0.651 30.950 30.300 -0.001 0.000 1.004 16 R HN 0.255 nan 8.270 nan 0.000 0.509 17 G N 1.158 109.959 108.800 0.002 0.000 2.248 17 G HA2 -0.199 3.761 3.960 0.001 0.000 0.252 17 G HA3 -0.199 3.761 3.960 0.001 0.000 0.252 17 G C -0.237 174.660 174.900 -0.005 0.000 1.085 17 G CA 0.137 45.239 45.100 0.003 0.000 0.845 17 G HN 0.235 nan 8.290 nan 0.000 0.494 18 V N -2.678 117.227 119.914 -0.015 0.000 2.971 18 V HA 0.774 4.894 4.120 0.001 0.000 0.309 18 V C 0.698 176.767 176.094 -0.042 0.000 1.130 18 V CA -1.703 60.583 62.300 -0.023 0.000 0.964 18 V CB 2.057 33.867 31.823 -0.022 0.000 1.029 18 V HN 0.310 nan 8.190 nan 0.000 0.427 19 L N 3.312 124.510 121.223 -0.042 0.000 2.456 19 L HA 0.350 4.690 4.340 0.001 0.000 0.272 19 L C -0.417 176.399 176.870 -0.090 0.000 1.189 19 L CA -0.100 54.703 54.840 -0.061 0.000 0.846 19 L CB 0.740 42.771 42.059 -0.046 0.000 1.111 19 L HN 0.552 nan 8.230 nan 0.000 0.475 20 L N 4.505 125.631 121.223 -0.162 0.000 2.301 20 L HA 0.269 4.610 4.340 0.001 0.000 0.278 20 L C 0.250 177.041 176.870 -0.131 0.000 1.022 20 L CA -0.730 53.935 54.840 -0.291 0.000 0.854 20 L CB 0.914 42.523 42.059 -0.749 0.000 1.226 20 L HN 0.610 nan 8.230 nan 0.000 0.429 21 E N 3.236 123.465 120.200 0.048 0.000 2.383 21 E HA 0.031 4.381 4.350 0.001 0.000 0.264 21 E C 0.067 176.834 176.600 0.279 0.000 1.050 21 E CA -0.489 55.962 56.400 0.085 0.000 0.896 21 E CB 0.397 30.154 29.700 0.095 0.000 0.982 21 E HN 0.535 nan 8.360 nan 0.000 0.424 22 H N 0.208 119.339 119.070 0.102 0.000 2.741 22 H HA -0.165 4.392 4.556 0.001 0.000 0.305 22 H C -0.723 174.634 175.328 0.049 0.000 1.169 22 H CA 1.069 57.135 56.048 0.029 0.000 1.144 22 H CB -1.922 27.850 29.762 0.017 0.000 1.397 22 H HN 0.502 nan 8.280 nan 0.000 0.409 23 H N 0.403 119.475 119.070 0.004 0.000 2.489 23 H HA 0.279 4.835 4.556 0.001 0.000 0.322 23 H C 0.850 176.164 175.328 -0.024 0.000 1.091 23 H CA -0.263 55.817 56.048 0.052 0.000 1.291 23 H CB 0.684 30.471 29.762 0.041 0.000 1.436 23 H HN 0.300 nan 8.280 nan 0.000 0.480 24 H N 1.326 120.436 119.070 0.067 0.000 2.505 24 H HA 0.348 4.904 4.556 0.001 0.000 0.351 24 H C -0.278 175.075 175.328 0.041 0.000 1.151 24 H CA -0.552 55.516 56.048 0.033 0.000 1.339 24 H CB 2.143 31.907 29.762 0.003 0.000 1.483 24 H HN 0.298 nan 8.280 nan 0.000 0.558 25 V N 2.840 122.827 119.914 0.122 0.000 2.588 25 V HA 0.324 4.444 4.120 0.001 0.000 0.304 25 V C -1.029 175.094 176.094 0.048 0.000 1.042 25 V CA -0.603 61.740 62.300 0.073 0.000 0.877 25 V CB 1.628 33.473 31.823 0.037 0.000 0.996 25 V HN 0.452 nan 8.190 nan 0.000 0.425 26 V N 7.862 127.797 119.914 0.036 0.000 2.357 26 V HA 0.537 4.658 4.120 0.001 0.000 0.284 26 V C -0.234 175.863 176.094 0.005 0.000 1.018 26 V CA -0.575 61.736 62.300 0.018 0.000 0.841 26 V CB 1.334 33.165 31.823 0.013 0.000 0.991 26 V HN 0.710 nan 8.190 nan 0.000 0.437 27 I N 3.638 124.205 120.570 -0.004 0.000 2.336 27 I HA 0.450 4.620 4.170 0.001 0.000 0.292 27 I C -0.329 175.782 176.117 -0.009 0.000 0.991 27 I CA -0.294 61.000 61.300 -0.009 0.000 1.227 27 I CB 1.376 39.365 38.000 -0.019 0.000 1.366 27 I HN 0.624 nan 8.210 nan 0.000 0.466 28 D N 4.336 124.732 120.400 -0.007 0.000 2.425 28 D HA 0.581 5.222 4.640 0.001 0.000 0.240 28 D C 0.671 176.967 176.300 -0.007 0.000 1.080 28 D CA 0.592 54.588 54.000 -0.008 0.000 0.836 28 D CB 1.504 42.300 40.800 -0.005 0.000 1.125 28 D HN 0.841 nan 8.370 nan 0.000 0.525 29 G N 4.084 112.878 108.800 -0.010 0.000 2.543 29 G HA2 -0.325 3.635 3.960 0.001 0.000 0.286 29 G HA3 -0.325 3.635 3.960 0.001 0.000 0.286 29 G C 0.685 175.578 174.900 -0.011 0.000 1.153 29 G CA 0.397 45.491 45.100 -0.010 0.000 0.968 29 G HN 0.570 nan 8.290 nan 0.000 0.544 30 E N 1.121 121.315 120.200 -0.009 0.000 2.481 30 E HA 0.217 4.568 4.350 0.001 0.000 0.198 30 E C 1.060 177.656 176.600 -0.006 0.000 1.027 30 E CA -0.056 56.338 56.400 -0.010 0.000 0.900 30 E CB 0.489 30.183 29.700 -0.009 0.000 0.993 30 E HN 0.374 nan 8.360 nan 0.000 0.482 31 R N 0.684 121.182 120.500 -0.004 0.000 2.854 31 R HA 0.495 4.836 4.340 0.001 0.000 0.271 31 R C -0.367 175.934 176.300 0.000 0.000 0.996 31 R CA -0.860 55.241 56.100 0.001 0.000 0.961 31 R CB 1.931 32.234 30.300 0.004 0.000 1.182 31 R HN -0.046 nan 8.270 nan 0.000 0.479 32 I N 2.197 122.769 120.570 0.004 0.000 2.352 32 I HA 0.031 4.202 4.170 0.001 0.000 0.290 32 I C 1.092 177.215 176.117 0.009 0.000 1.036 32 I CA -0.126 61.178 61.300 0.006 0.000 1.336 32 I CB 1.364 39.369 38.000 0.009 0.000 1.407 32 I HN 0.426 nan 8.210 nan 0.000 0.497 33 V N 4.145 124.064 119.914 0.009 0.000 3.263 33 V HA 0.195 4.316 4.120 0.001 0.000 0.248 33 V C 0.581 176.683 176.094 0.013 0.000 1.145 33 V CA 0.539 62.844 62.300 0.009 0.000 1.107 33 V CB -0.263 31.562 31.823 0.004 0.000 0.797 33 V HN 0.735 nan 8.190 nan 0.000 0.467 34 E N -0.360 119.851 120.200 0.018 0.000 2.335 34 E HA 0.549 4.900 4.350 0.001 0.000 0.280 34 E C -2.010 174.617 176.600 0.044 0.000 0.918 34 E CA -0.269 56.146 56.400 0.025 0.000 0.765 34 E CB 3.147 32.856 29.700 0.014 0.000 1.218 34 E HN 0.015 nan 8.360 nan 0.000 0.425 35 V N 2.506 122.457 119.914 0.061 0.000 2.443 35 V HA 0.626 4.746 4.120 0.001 0.000 0.293 35 V C -0.276 175.900 176.094 0.136 0.000 1.021 35 V CA -0.464 61.898 62.300 0.103 0.000 0.848 35 V CB 1.605 33.487 31.823 0.098 0.000 0.998 35 V HN 0.714 nan 8.190 nan 0.000 0.424 36 T N 1.598 116.235 114.554 0.139 0.000 2.802 36 T HA 0.365 4.715 4.350 0.001 0.000 0.311 36 T C -0.941 173.701 174.700 -0.097 0.000 1.405 36 T CA -0.286 61.837 62.100 0.039 0.000 1.016 36 T CB 2.040 70.902 68.868 -0.011 0.000 1.352 36 T HN 0.796 nan 8.240 nan 0.000 0.498 37 D N 1.222 121.414 120.400 -0.347 0.000 2.427 37 D HA 0.172 4.812 4.640 0.001 0.000 0.224 37 D C 0.440 176.674 176.300 -0.110 0.000 1.157 37 D CA -0.518 53.305 54.000 -0.296 0.000 0.828 37 D CB 0.095 40.545 40.800 -0.583 0.000 0.974 37 D HN 0.071 nan 8.370 nan 0.000 0.498 38 R N 2.151 122.575 120.500 -0.127 0.000 2.679 38 R HA 0.220 4.561 4.340 0.001 0.000 0.268 38 R C -2.161 173.982 176.300 -0.262 0.000 1.044 38 R CA -2.048 53.962 56.100 -0.150 0.000 1.105 38 R CB -0.552 29.665 30.300 -0.140 0.000 0.989 38 R HN 0.150 nan 8.270 nan 0.000 0.447 39 P HA -0.041 nan 4.420 nan 0.000 0.262 39 P C -0.213 176.936 177.300 -0.252 0.000 1.199 39 P CA 0.219 63.190 63.100 -0.216 0.000 0.763 39 P CB 0.593 32.232 31.700 -0.102 0.000 0.790 40 V N 3.365 123.065 119.914 -0.356 0.000 2.630 40 V HA 0.191 4.311 4.120 0.001 0.000 0.305 40 V C 0.238 176.249 176.094 -0.138 0.000 1.046 40 V CA -0.415 61.734 62.300 -0.252 0.000 0.934 40 V CB 1.773 33.412 31.823 -0.306 0.000 1.003 40 V HN 0.349 nan 8.190 nan 0.000 0.451 41 D N 3.946 124.291 120.400 -0.092 0.000 2.631 41 D HA 0.263 4.903 4.640 0.001 0.000 0.227 41 D C -0.003 176.271 176.300 -0.043 0.000 1.146 41 D CA -0.205 53.760 54.000 -0.059 0.000 1.009 41 D CB -0.225 40.547 40.800 -0.048 0.000 1.057 41 D HN 0.455 nan 8.370 nan 0.000 0.509 42 L N 0.772 121.972 121.223 -0.038 0.000 2.334 42 L HA 0.529 4.869 4.340 0.001 0.000 0.286 42 L C -1.662 175.198 176.870 -0.018 0.000 1.108 42 L CA -1.043 53.782 54.840 -0.024 0.000 0.875 42 L CB 0.579 42.629 42.059 -0.015 0.000 1.246 42 L HN -0.007 nan 8.230 nan 0.000 0.439 43 P HA 0.085 nan 4.420 nan 0.000 0.212 43 P C 0.307 177.600 177.300 -0.012 0.000 1.171 43 P CA 0.737 63.829 63.100 -0.014 0.000 0.892 43 P CB 0.267 31.959 31.700 -0.014 0.000 0.769 44 N N -0.792 117.901 118.700 -0.012 0.000 2.389 44 N HA 0.404 5.144 4.740 0.001 0.000 0.260 44 N C -0.732 174.771 175.510 -0.012 0.000 1.191 44 N CA -0.223 52.820 53.050 -0.011 0.000 0.885 44 N CB 0.274 38.755 38.487 -0.010 0.000 1.162 44 N HN 0.124 nan 8.380 nan 0.000 0.512 45 A N 0.343 123.156 122.820 -0.012 0.000 2.309 45 A HA 0.355 4.675 4.320 0.001 0.000 0.298 45 A C 0.106 177.681 177.584 -0.016 0.000 1.165 45 A CA -0.383 51.646 52.037 -0.013 0.000 0.821 45 A CB 0.504 19.497 19.000 -0.011 0.000 1.102 45 A HN 0.234 nan 8.150 nan 0.000 0.500 46 Q N 1.266 121.054 119.800 -0.021 0.000 2.257 46 Q HA 0.383 4.723 4.340 0.001 0.000 0.273 46 Q C 0.174 176.153 176.000 -0.035 0.000 1.153 46 Q CA 0.597 56.383 55.803 -0.028 0.000 0.922 46 Q CB 0.390 29.107 28.738 -0.036 0.000 1.242 46 Q HN 0.789 nan 8.270 nan 0.000 0.409 47 A N 4.919 127.722 122.820 -0.028 0.000 2.354 47 A HA 0.476 4.796 4.320 0.001 0.000 0.281 47 A C -0.535 177.013 177.584 -0.060 0.000 1.174 47 A CA -0.412 51.608 52.037 -0.029 0.000 0.828 47 A CB 0.130 19.126 19.000 -0.007 0.000 1.099 47 A HN 0.779 nan 8.150 nan 0.000 0.516 48 I N 2.197 122.706 120.570 -0.102 0.000 2.362 48 I HA 0.192 4.362 4.170 0.001 0.000 0.289 48 I C -0.401 175.629 176.117 -0.145 0.000 0.994 48 I CA -0.401 60.793 61.300 -0.177 0.000 1.158 48 I CB 1.883 39.672 38.000 -0.353 0.000 1.315 48 I HN 0.656 nan 8.210 nan 0.000 0.451 49 D N 5.584 125.929 120.400 -0.093 0.000 2.325 49 D HA 0.307 4.947 4.640 0.001 0.000 0.251 49 D C -0.227 176.046 176.300 -0.044 0.000 1.196 49 D CA -0.019 53.952 54.000 -0.049 0.000 0.866 49 D CB 1.019 41.815 40.800 -0.007 0.000 1.101 49 D HN 0.233 nan 8.370 nan 0.000 0.476 50 V N 5.465 125.339 119.914 -0.065 0.000 2.759 50 V HA 0.147 4.268 4.120 0.001 0.000 0.342 50 V C 0.403 176.455 176.094 -0.070 0.000 1.228 50 V CA -0.753 61.517 62.300 -0.051 0.000 1.302 50 V CB -0.563 31.211 31.823 -0.081 0.000 1.496 50 V HN 0.539 nan 8.190 nan 0.000 0.628 51 R N 1.399 121.870 120.500 -0.048 0.000 2.491 51 R HA 0.384 4.724 4.340 0.001 0.000 0.283 51 R C 0.819 177.077 176.300 -0.070 0.000 1.072 51 R CA 0.878 56.938 56.100 -0.066 0.000 1.048 51 R CB 0.641 30.940 30.300 -0.001 0.000 0.983 51 R HN 0.697 nan 8.270 nan 0.000 0.450 52 G N 2.352 111.070 108.800 -0.136 0.000 2.225 52 G HA2 -0.328 3.633 3.960 0.001 0.000 0.267 52 G HA3 -0.328 3.633 3.960 0.001 0.000 0.267 52 G C -0.418 174.440 174.900 -0.070 0.000 1.024 52 G CA 0.860 45.900 45.100 -0.100 0.000 0.784 52 G HN 0.665 nan 8.290 nan 0.000 0.507 53 K N -0.426 119.928 120.400 -0.076 0.000 2.426 53 K HA 0.543 4.863 4.320 0.001 0.000 0.251 53 K C -0.273 176.295 176.600 -0.053 0.000 0.941 53 K CA -0.673 55.588 56.287 -0.044 0.000 0.808 53 K CB 1.598 34.093 32.500 -0.008 0.000 1.265 53 K HN 0.046 nan 8.250 nan 0.000 0.432 54 T N 1.404 115.935 114.554 -0.039 0.000 2.780 54 T HA 0.169 4.520 4.350 0.001 0.000 0.294 54 T C -0.738 173.942 174.700 -0.034 0.000 0.949 54 T CA -0.478 61.598 62.100 -0.041 0.000 1.074 54 T CB 0.883 69.730 68.868 -0.035 0.000 0.910 54 T HN 0.287 nan 8.240 nan 0.000 0.501 55 V N 7.098 126.988 119.914 -0.041 0.000 2.384 55 V HA 0.802 4.922 4.120 0.001 0.000 0.287 55 V C -0.566 175.505 176.094 -0.037 0.000 1.020 55 V CA -0.848 61.428 62.300 -0.040 0.000 0.850 55 V CB 0.684 32.481 31.823 -0.044 0.000 0.987 55 V HN 0.958 nan 8.190 nan 0.000 0.436 56 M N 6.069 125.645 119.600 -0.041 0.000 2.667 56 M HA 0.831 5.312 4.480 0.001 0.000 0.286 56 M C -3.004 173.266 176.300 -0.050 0.000 1.270 56 M CA -2.223 53.064 55.300 -0.022 0.000 0.826 56 M CB 2.101 34.714 32.600 0.022 0.000 1.743 56 M HN 0.266 nan 8.290 nan 0.000 0.460 57 P HA 0.214 nan 4.420 nan 0.000 0.271 57 P C -0.051 177.179 177.300 -0.116 0.000 1.216 57 P CA 0.115 63.192 63.100 -0.038 0.000 0.776 57 P CB 0.376 32.088 31.700 0.019 0.000 0.881 58 G N 2.539 111.226 108.800 -0.188 0.000 2.432 58 G HA2 0.235 4.195 3.960 0.001 0.000 0.239 58 G HA3 0.235 4.195 3.960 0.001 0.000 0.239 58 G C -0.521 174.247 174.900 -0.219 0.000 1.291 58 G CA -0.269 44.607 45.100 -0.374 0.000 0.863 58 G HN 0.225 nan 8.290 nan 0.000 0.560 59 F N 0.355 120.212 119.950 -0.155 0.000 2.450 59 F HA 0.442 4.970 4.527 0.001 0.000 0.339 59 F C 0.923 176.757 175.800 0.057 0.000 1.146 59 F CA -1.054 56.849 58.000 -0.160 0.000 1.267 59 F CB 0.616 39.282 39.000 -0.557 0.000 1.178 59 F HN 0.160 nan 8.300 nan 0.000 0.585 60 I N 1.883 122.651 120.570 0.329 0.000 2.418 60 I HA 0.198 4.369 4.170 0.001 0.000 0.287 60 I C -0.739 175.580 176.117 0.336 0.000 1.008 60 I CA -0.695 60.793 61.300 0.313 0.000 1.104 60 I CB 1.633 39.752 38.000 0.197 0.000 1.264 60 I HN 0.445 nan 8.210 nan 0.000 0.438 61 D N 5.338 125.942 120.400 0.340 0.000 2.280 61 D HA 0.234 4.875 4.640 0.001 0.000 0.236 61 D C 0.204 176.610 176.300 0.177 0.000 1.082 61 D CA -0.345 53.810 54.000 0.259 0.000 0.834 61 D CB 1.873 42.650 40.800 -0.038 0.000 1.100 61 D HN 0.577 nan 8.370 nan 0.000 0.486 62 C N 2.461 121.866 119.300 0.176 0.000 2.697 62 C HA 0.141 4.601 4.460 0.001 0.000 0.267 62 C C 0.772 175.810 174.990 0.080 0.000 1.278 62 C CA -0.143 58.931 59.018 0.093 0.000 1.708 62 C CB -1.428 26.349 27.740 0.062 0.000 1.860 62 C HN 0.595 nan 8.230 nan 0.000 0.589 63 H N 0.226 119.274 119.070 -0.037 0.000 3.021 63 H HA 0.498 5.054 4.556 0.000 0.000 0.293 63 H C -0.699 174.559 175.328 -0.116 0.000 1.244 63 H CA -0.124 55.861 56.048 -0.104 0.000 1.596 63 H CB 0.486 30.165 29.762 -0.139 0.000 1.720 63 H HN 0.108 nan 8.280 nan 0.000 0.537 64 V N 0.727 120.513 119.914 -0.213 0.000 3.074 64 V HA 0.551 4.671 4.120 0.001 0.000 0.314 64 V C -0.461 175.427 176.094 -0.345 0.000 1.117 64 V CA -0.864 61.360 62.300 -0.126 0.000 1.014 64 V CB 2.465 34.277 31.823 -0.019 0.000 1.057 64 V HN 0.695 nan 8.190 nan 0.000 0.438 65 H N 1.341 120.455 119.070 0.074 0.000 2.645 65 H HA 0.390 4.946 4.556 0.000 0.000 0.257 65 H C 0.678 176.074 175.328 0.113 0.000 1.269 65 H CA -0.255 55.829 56.048 0.060 0.000 1.409 65 H CB 1.843 31.639 29.762 0.057 0.000 1.434 65 H HN 0.539 nan 8.280 nan 0.000 0.505 66 V N 2.605 122.581 119.914 0.104 0.000 2.469 66 V HA -0.249 3.872 4.120 0.001 0.000 0.251 66 V C 2.119 178.227 176.094 0.024 0.000 1.064 66 V CA 1.657 63.972 62.300 0.025 0.000 1.066 66 V CB -0.185 31.625 31.823 -0.022 0.000 0.667 66 V HN 0.567 nan 8.190 nan 0.000 0.461 67 L N -0.200 121.064 121.223 0.067 0.000 2.592 67 L HA 0.314 4.655 4.340 0.001 0.000 0.227 67 L C 1.478 178.378 176.870 0.051 0.000 1.127 67 L CA 0.124 54.987 54.840 0.039 0.000 0.884 67 L CB -0.152 41.926 42.059 0.032 0.000 1.065 67 L HN 0.238 nan 8.230 nan 0.000 0.457 68 A N 0.074 122.964 122.820 0.116 0.000 2.899 68 A HA 0.169 4.489 4.320 0.001 0.000 0.287 68 A C 1.436 179.085 177.584 0.108 0.000 1.715 68 A CA 0.364 52.455 52.037 0.089 0.000 1.393 68 A CB -0.341 18.723 19.000 0.105 0.000 1.070 68 A HN 0.388 nan 8.150 nan 0.000 0.587 69 S N 1.066 116.785 115.700 0.031 0.000 2.528 69 S HA 0.054 4.524 4.470 0.001 0.000 0.219 69 S C 0.427 175.018 174.600 -0.016 0.000 0.985 69 S CA 0.214 58.421 58.200 0.011 0.000 0.914 69 S CB -0.494 62.693 63.200 -0.022 0.000 0.776 69 S HN 0.932 nan 8.310 nan 0.000 0.526 70 N N -1.265 117.417 118.700 -0.030 0.000 2.416 70 N HA 0.660 5.400 4.740 0.001 0.000 0.276 70 N C 0.203 175.682 175.510 -0.052 0.000 1.261 70 N CA -0.421 52.600 53.050 -0.049 0.000 0.790 70 N CB 1.013 39.471 38.487 -0.049 0.000 1.554 70 N HN -0.062 nan 8.380 nan 0.000 0.481 71 A N 0.323 123.124 122.820 -0.031 0.000 2.119 71 A HA 0.007 4.327 4.320 0.001 0.000 0.216 71 A C 0.715 178.278 177.584 -0.036 0.000 1.152 71 A CA 0.466 52.497 52.037 -0.010 0.000 0.708 71 A CB -0.653 18.390 19.000 0.072 0.000 0.805 71 A HN 0.703 nan 8.150 nan 0.000 0.460 72 N N 1.028 119.696 118.700 -0.055 0.000 2.439 72 N HA 0.248 4.988 4.740 0.001 0.000 0.243 72 N C 0.538 175.913 175.510 -0.224 0.000 1.088 72 N CA -0.086 52.901 53.050 -0.104 0.000 0.940 72 N CB 0.585 39.032 38.487 -0.066 0.000 1.180 72 N HN 0.325 nan 8.380 nan 0.000 0.505 73 L N 2.369 123.367 121.223 -0.376 0.000 2.291 73 L HA 0.022 4.363 4.340 0.001 0.000 0.214 73 L C 2.201 178.513 176.870 -0.929 0.000 1.120 73 L CA 0.726 55.180 54.840 -0.643 0.000 0.799 73 L CB -0.226 41.347 42.059 -0.810 0.000 0.925 73 L HN 0.568 nan 8.230 nan 0.000 0.446 74 G N -0.372 107.934 108.800 -0.823 0.000 2.459 74 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 74 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 74 G C 1.576 176.335 174.900 -0.236 0.000 1.183 74 G CA 0.951 45.776 45.100 -0.458 0.000 0.776 74 G HN 0.192 nan 8.290 nan 0.000 0.552 75 V N 0.787 120.595 119.914 -0.176 0.000 2.871 75 V HA -0.056 4.065 4.120 0.001 0.000 0.256 75 V C 2.441 178.476 176.094 -0.100 0.000 1.082 75 V CA 1.923 64.163 62.300 -0.098 0.000 1.105 75 V CB -0.353 31.432 31.823 -0.062 0.000 0.713 75 V HN 0.476 nan 8.190 nan 0.000 0.473 76 N N 0.464 119.076 118.700 -0.145 0.000 2.104 76 N HA -0.149 4.592 4.740 0.001 0.000 0.190 76 N C 1.768 177.222 175.510 -0.094 0.000 1.024 76 N CA 1.636 54.615 53.050 -0.118 0.000 0.853 76 N CB -0.281 38.115 38.487 -0.151 0.000 1.008 76 N HN 0.487 nan 8.380 nan 0.000 0.424 77 A N -0.800 121.946 122.820 -0.123 0.000 2.015 77 A HA -0.087 4.234 4.320 0.001 0.000 0.219 77 A C 2.077 179.654 177.584 -0.011 0.000 1.163 77 A CA 1.871 53.878 52.037 -0.050 0.000 0.646 77 A CB -0.853 18.129 19.000 -0.030 0.000 0.806 77 A HN 0.551 nan 8.150 nan 0.000 0.448 78 T N -1.467 113.073 114.554 -0.024 0.000 3.086 78 T HA 0.142 4.492 4.350 0.001 0.000 0.250 78 T C 0.816 175.512 174.700 -0.006 0.000 1.074 78 T CA 0.188 62.285 62.100 -0.004 0.000 0.988 78 T CB -0.455 68.410 68.868 -0.005 0.000 0.988 78 T HN 0.690 nan 8.240 nan 0.000 0.530 79 Q N 1.787 121.578 119.800 -0.014 0.000 2.392 79 Q HA 0.328 4.669 4.340 0.001 0.000 0.262 79 Q C -2.699 173.300 176.000 -0.001 0.000 1.003 79 Q CA -1.900 53.897 55.803 -0.011 0.000 0.888 79 Q CB -0.140 28.587 28.738 -0.018 0.000 1.260 79 Q HN 0.104 nan 8.270 nan 0.000 0.435 80 P HA -0.003 nan 4.420 nan 0.000 0.269 80 P C -0.097 177.207 177.300 0.007 0.000 1.209 80 P CA -0.270 62.833 63.100 0.005 0.000 0.776 80 P CB 0.561 32.263 31.700 0.002 0.000 0.876 81 N N 2.055 120.763 118.700 0.013 0.000 2.043 81 N HA -0.159 4.581 4.740 0.001 0.000 0.193 81 N C 1.554 177.069 175.510 0.010 0.000 1.037 81 N CA 1.066 54.127 53.050 0.017 0.000 0.851 81 N CB -0.854 37.648 38.487 0.025 0.000 1.027 81 N HN 0.459 nan 8.380 nan 0.000 0.422 82 I N 0.837 121.411 120.570 0.006 0.000 2.286 82 I HA -0.175 3.995 4.170 0.001 0.000 0.248 82 I C 1.753 177.867 176.117 -0.005 0.000 1.115 82 I CA 1.145 62.446 61.300 0.001 0.000 1.392 82 I CB -0.523 37.477 38.000 0.000 0.000 1.065 82 I HN 0.091 nan 8.210 nan 0.000 0.418 83 L N 1.197 122.417 121.223 -0.006 0.000 2.056 83 L HA -0.141 4.199 4.340 0.001 0.000 0.207 83 L C 2.977 179.839 176.870 -0.013 0.000 1.078 83 L CA 1.351 56.185 54.840 -0.011 0.000 0.749 83 L CB -0.699 41.354 42.059 -0.010 0.000 0.901 83 L HN 0.312 nan 8.230 nan 0.000 0.433 84 A N -0.015 122.799 122.820 -0.009 0.000 1.917 84 A HA -0.277 4.043 4.320 0.001 0.000 0.219 84 A C 2.451 180.028 177.584 -0.013 0.000 1.182 84 A CA 2.120 54.151 52.037 -0.010 0.000 0.633 84 A CB -0.733 18.266 19.000 -0.001 0.000 0.819 84 A HN 0.468 nan 8.150 nan 0.000 0.448 85 A N -0.137 122.677 122.820 -0.010 0.000 1.854 85 A HA 0.026 4.346 4.320 0.001 0.000 0.214 85 A C 1.977 179.546 177.584 -0.025 0.000 1.192 85 A CA 1.459 53.487 52.037 -0.015 0.000 0.611 85 A CB -0.563 18.431 19.000 -0.011 0.000 0.832 85 A HN 0.370 nan 8.150 nan 0.000 0.442 86 I N 0.296 120.852 120.570 -0.023 0.000 2.091 86 I HA -0.297 3.873 4.170 0.001 0.000 0.240 86 I C 2.454 178.550 176.117 -0.036 0.000 1.046 86 I CA 1.807 63.090 61.300 -0.028 0.000 1.306 86 I CB -1.428 36.558 38.000 -0.023 0.000 1.018 86 I HN 0.357 nan 8.210 nan 0.000 0.404 87 R N 0.448 120.927 120.500 -0.035 0.000 2.237 87 R HA -0.096 4.245 4.340 0.001 0.000 0.219 87 R C 2.291 178.556 176.300 -0.058 0.000 1.080 87 R CA 1.322 57.395 56.100 -0.044 0.000 0.995 87 R CB -0.290 29.987 30.300 -0.038 0.000 0.875 87 R HN 0.552 nan 8.270 nan 0.000 0.462 88 S N 0.385 116.051 115.700 -0.056 0.000 2.489 88 S HA 0.005 4.475 4.470 0.001 0.000 0.228 88 S C 1.963 176.512 174.600 -0.085 0.000 0.995 88 S CA 0.292 58.448 58.200 -0.073 0.000 0.934 88 S CB -0.084 63.084 63.200 -0.053 0.000 0.771 88 S HN 0.213 nan 8.310 nan 0.000 0.522 89 L N 1.288 122.470 121.223 -0.068 0.000 1.994 89 L HA 0.010 4.350 4.340 0.001 0.000 0.208 89 L C -0.470 176.357 176.870 -0.071 0.000 1.071 89 L CA 1.432 56.233 54.840 -0.064 0.000 0.745 89 L CB -1.894 40.135 42.059 -0.051 0.000 0.892 89 L HN 0.271 nan 8.230 nan 0.000 0.431 90 P HA -0.181 nan 4.420 nan 0.000 0.215 90 P C 1.843 179.081 177.300 -0.104 0.000 1.157 90 P CA 1.504 64.558 63.100 -0.077 0.000 0.868 90 P CB 0.010 31.666 31.700 -0.074 0.000 0.788 91 I N -1.498 118.979 120.570 -0.154 0.000 2.151 91 I HA -0.273 3.897 4.170 0.001 0.000 0.243 91 I C 2.384 178.391 176.117 -0.184 0.000 1.080 91 I CA 1.524 62.670 61.300 -0.256 0.000 1.339 91 I CB -0.714 37.048 38.000 -0.396 0.000 1.039 91 I HN -0.076 nan 8.210 nan 0.000 0.409 92 L N 0.017 121.164 121.223 -0.127 0.000 2.027 92 L HA -0.239 4.101 4.340 0.001 0.000 0.206 92 L C 2.298 179.140 176.870 -0.047 0.000 1.074 92 L CA 1.518 56.310 54.840 -0.081 0.000 0.745 92 L CB -0.553 41.464 42.059 -0.070 0.000 0.898 92 L HN 0.252 nan 8.230 nan 0.000 0.433 93 D N -0.045 120.325 120.400 -0.049 0.000 2.104 93 D HA -0.209 4.431 4.640 0.001 0.000 0.194 93 D C 2.123 178.417 176.300 -0.011 0.000 0.994 93 D CA 1.567 55.550 54.000 -0.030 0.000 0.830 93 D CB 0.094 40.872 40.800 -0.036 0.000 0.959 93 D HN 0.277 nan 8.370 nan 0.000 0.452 94 A N -0.199 122.609 122.820 -0.021 0.000 1.972 94 A HA -0.154 4.166 4.320 0.001 0.000 0.219 94 A C 2.336 179.956 177.584 0.062 0.000 1.169 94 A CA 1.415 53.455 52.037 0.005 0.000 0.635 94 A CB -0.586 18.402 19.000 -0.021 0.000 0.810 94 A HN 0.294 nan 8.150 nan 0.000 0.446 95 M N -1.378 118.254 119.600 0.054 0.000 2.080 95 M HA -0.155 4.325 4.480 0.001 0.000 0.260 95 M C 2.176 178.618 176.300 0.235 0.000 1.068 95 M CA 1.613 57.000 55.300 0.145 0.000 1.109 95 M CB -0.343 32.292 32.600 0.059 0.000 1.342 95 M HN 0.483 nan 8.290 nan 0.000 0.405 96 L N 0.126 121.423 121.223 0.122 0.000 2.056 96 L HA -0.136 4.204 4.340 0.001 0.000 0.207 96 L C 2.545 179.453 176.870 0.064 0.000 1.078 96 L CA 2.150 57.044 54.840 0.090 0.000 0.749 96 L CB -0.623 41.454 42.059 0.031 0.000 0.901 96 L HN 0.358 nan 8.230 nan 0.000 0.433 97 S N -1.528 114.208 115.700 0.060 0.000 2.522 97 S HA -0.060 4.410 4.470 0.001 0.000 0.227 97 S C 1.916 176.553 174.600 0.062 0.000 0.986 97 S CA 0.199 58.419 58.200 0.034 0.000 0.929 97 S CB -0.531 62.679 63.200 0.016 0.000 0.769 97 S HN 0.508 nan 8.310 nan 0.000 0.529 98 R N 0.657 121.246 120.500 0.149 0.000 2.313 98 R HA 0.224 4.565 4.340 0.001 0.000 0.199 98 R C 1.455 177.830 176.300 0.125 0.000 0.958 98 R CA 0.513 56.742 56.100 0.216 0.000 1.047 98 R CB -0.119 30.425 30.300 0.407 0.000 0.955 98 R HN 0.632 nan 8.270 nan 0.000 0.481 99 G N 0.097 108.880 108.800 -0.028 0.000 2.184 99 G HA2 -0.234 3.727 3.960 0.001 0.000 0.206 99 G HA3 -0.234 3.727 3.960 0.001 0.000 0.206 99 G C -0.124 174.465 174.900 -0.518 0.000 0.995 99 G CA -0.691 44.171 45.100 -0.397 0.000 0.651 99 G HN 0.168 nan 8.290 nan 0.000 0.511 100 F N 2.503 122.473 119.950 0.034 0.000 2.413 100 F HA 0.463 4.990 4.527 0.001 0.000 0.359 100 F C 1.807 177.606 175.800 -0.002 0.000 1.122 100 F CA 0.681 58.723 58.000 0.070 0.000 1.160 100 F CB 1.489 40.568 39.000 0.130 0.000 1.146 100 F HN 0.086 nan 8.300 nan 0.000 0.514 101 T N -2.347 112.258 114.554 0.085 0.000 3.044 101 T HA 0.220 4.571 4.350 0.001 0.000 0.250 101 T C 0.520 175.274 174.700 0.089 0.000 1.081 101 T CA -0.070 62.055 62.100 0.042 0.000 1.040 101 T CB 0.128 68.975 68.868 -0.034 0.000 0.962 101 T HN 0.313 nan 8.240 nan 0.000 0.506 102 S N 0.859 116.664 115.700 0.174 0.000 2.540 102 S HA 0.692 5.162 4.470 0.001 0.000 0.275 102 S C -0.973 173.777 174.600 0.249 0.000 1.123 102 S CA -0.809 57.513 58.200 0.204 0.000 0.907 102 S CB 2.254 65.639 63.200 0.308 0.000 1.081 102 S HN 0.554 nan 8.310 nan 0.000 0.476 103 V N 0.932 120.972 119.914 0.210 0.000 2.656 103 V HA 0.683 4.803 4.120 0.001 0.000 0.307 103 V C -0.517 175.723 176.094 0.245 0.000 1.051 103 V CA -1.120 61.288 62.300 0.181 0.000 0.893 103 V CB 1.708 33.574 31.823 0.071 0.000 0.999 103 V HN 0.854 nan 8.190 nan 0.000 0.426 104 R N 2.890 123.499 120.500 0.181 0.000 2.205 104 R HA 0.273 4.613 4.340 0.001 0.000 0.342 104 R C -0.389 175.899 176.300 -0.020 0.000 1.058 104 R CA -0.304 55.874 56.100 0.130 0.000 0.904 104 R CB 0.435 30.767 30.300 0.052 0.000 1.089 104 R HN 1.019 nan 8.270 nan 0.000 0.471 105 D N 3.071 123.451 120.400 -0.034 0.000 2.308 105 D HA 0.082 4.722 4.640 0.001 0.000 0.251 105 D C -0.378 175.775 176.300 -0.244 0.000 1.127 105 D CA -0.006 53.903 54.000 -0.153 0.000 0.876 105 D CB 1.523 42.274 40.800 -0.082 0.000 1.176 105 D HN 0.643 nan 8.370 nan 0.000 0.446 106 A N 2.997 125.508 122.820 -0.515 0.000 2.684 106 A HA 0.550 4.870 4.320 0.001 0.000 0.288 106 A C 0.623 178.084 177.584 -0.205 0.000 1.337 106 A CA 0.255 51.985 52.037 -0.511 0.000 0.946 106 A CB -0.329 18.009 19.000 -1.103 0.000 1.093 106 A HN 0.758 nan 8.150 nan 0.000 0.543 107 G N -2.314 106.438 108.800 -0.079 0.000 2.957 107 G HA2 0.500 4.460 3.960 0.001 0.000 0.636 107 G HA3 0.500 4.460 3.960 0.001 0.000 0.636 107 G C 0.497 175.482 174.900 0.142 0.000 1.401 107 G CA 0.254 45.400 45.100 0.076 0.000 0.941 107 G HN 1.997 nan 8.290 nan 0.000 0.610 108 G N 0.654 109.491 108.800 0.061 0.000 2.882 108 G HA2 0.397 4.357 3.960 0.001 0.000 0.198 108 G HA3 0.397 4.357 3.960 0.001 0.000 0.198 108 G C 1.189 176.102 174.900 0.022 0.000 1.977 108 G CA 1.306 46.439 45.100 0.055 0.000 1.541 108 G HN 2.591 nan 8.290 nan 0.000 0.567 109 A N 1.857 124.686 122.820 0.014 0.000 2.498 109 A HA 0.515 4.835 4.320 0.001 0.000 0.239 109 A C 0.522 178.112 177.584 0.010 0.000 1.068 109 A CA 1.406 53.444 52.037 0.002 0.000 0.766 109 A CB -0.053 18.939 19.000 -0.015 0.000 1.003 109 A HN 1.160 nan 8.150 nan 0.000 0.497 110 D N 0.497 120.912 120.400 0.025 0.000 2.650 110 D HA 0.148 4.788 4.640 0.001 0.000 0.255 110 D C 0.672 177.040 176.300 0.114 0.000 1.135 110 D CA -0.712 53.332 54.000 0.073 0.000 1.099 110 D CB -0.175 40.679 40.800 0.091 0.000 1.273 110 D HN 0.558 nan 8.370 nan 0.000 0.628 111 W N 0.658 121.939 121.300 -0.033 0.000 2.436 111 W HA -0.094 4.566 4.660 0.001 0.000 0.284 111 W C 1.903 178.401 176.519 -0.034 0.000 1.225 111 W CA 2.183 59.507 57.345 -0.035 0.000 1.271 111 W CB -0.171 29.273 29.460 -0.027 0.000 1.114 111 W HN 0.338 nan 8.180 nan 0.000 0.559 112 S N 1.086 116.814 115.700 0.046 0.000 2.359 112 S HA -0.281 4.189 4.470 0.001 0.000 0.224 112 S C 1.930 176.394 174.600 -0.227 0.000 1.035 112 S CA 1.518 59.614 58.200 -0.173 0.000 1.018 112 S CB -1.078 62.135 63.200 0.023 0.000 0.876 112 S HN 0.388 nan 8.310 nan 0.000 0.448 113 L N 0.845 121.991 121.223 -0.128 0.000 2.083 113 L HA -0.044 4.296 4.340 0.001 0.000 0.209 113 L C 2.674 179.435 176.870 -0.182 0.000 1.083 113 L CA 1.464 56.228 54.840 -0.127 0.000 0.752 113 L CB -0.367 41.648 42.059 -0.074 0.000 0.899 113 L HN 0.446 nan 8.230 nan 0.000 0.433 114 M N -1.105 118.361 119.600 -0.223 0.000 2.175 114 M HA -0.231 4.249 4.480 0.001 0.000 0.264 114 M C 2.141 178.235 176.300 -0.343 0.000 1.063 114 M CA 1.560 56.703 55.300 -0.261 0.000 1.119 114 M CB -0.049 32.409 32.600 -0.238 0.000 1.377 114 M HN 0.256 nan 8.290 nan 0.000 0.415 115 Q N 0.185 119.683 119.800 -0.503 0.000 2.083 115 Q HA -0.029 4.311 4.340 0.001 0.000 0.198 115 Q C 2.192 178.008 176.000 -0.306 0.000 0.969 115 Q CA 1.687 57.188 55.803 -0.503 0.000 0.838 115 Q CB -0.637 27.631 28.738 -0.782 0.000 0.900 115 Q HN 0.689 nan 8.270 nan 0.000 0.436 116 A N 1.057 123.723 122.820 -0.256 0.000 1.917 116 A HA -0.169 4.151 4.320 0.001 0.000 0.219 116 A C 2.299 179.799 177.584 -0.139 0.000 1.182 116 A CA 2.163 54.099 52.037 -0.169 0.000 0.633 116 A CB -0.859 18.060 19.000 -0.135 0.000 0.819 116 A HN 0.310 nan 8.150 nan 0.000 0.448 117 V N -2.656 117.170 119.914 -0.146 0.000 2.488 117 V HA -0.097 4.023 4.120 0.001 0.000 0.246 117 V C 1.833 177.854 176.094 -0.121 0.000 1.046 117 V CA 2.201 64.430 62.300 -0.120 0.000 1.053 117 V CB -0.765 30.989 31.823 -0.113 0.000 0.679 117 V HN 0.563 nan 8.190 nan 0.000 0.458 118 E N 1.065 121.174 120.200 -0.151 0.000 2.208 118 E HA -0.098 4.253 4.350 0.001 0.000 0.193 118 E C 2.199 178.732 176.600 -0.111 0.000 0.988 118 E CA 1.550 57.869 56.400 -0.135 0.000 0.828 118 E CB -0.078 29.525 29.700 -0.161 0.000 0.763 118 E HN 0.908 nan 8.360 nan 0.000 0.478 119 T N -3.719 110.763 114.554 -0.119 0.000 3.081 119 T HA 0.223 4.573 4.350 0.001 0.000 0.250 119 T C 1.504 176.159 174.700 -0.074 0.000 1.100 119 T CA 0.461 62.506 62.100 -0.093 0.000 1.038 119 T CB 0.727 69.534 68.868 -0.101 0.000 0.962 119 T HN 0.225 nan 8.240 nan 0.000 0.516 120 G N 0.915 109.668 108.800 -0.077 0.000 2.176 120 G HA2 -0.245 3.716 3.960 0.001 0.000 0.253 120 G HA3 -0.245 3.716 3.960 0.001 0.000 0.253 120 G C 0.576 175.441 174.900 -0.058 0.000 0.979 120 G CA 0.236 45.299 45.100 -0.061 0.000 0.641 120 G HN 0.457 nan 8.290 nan 0.000 0.530 121 L N -0.241 120.942 121.223 -0.067 0.000 2.261 121 L HA 0.340 4.681 4.340 0.001 0.000 0.216 121 L C 1.213 178.049 176.870 -0.057 0.000 1.114 121 L CA 1.677 56.481 54.840 -0.061 0.000 0.777 121 L CB 0.072 42.088 42.059 -0.071 0.000 0.910 121 L HN 0.314 nan 8.230 nan 0.000 0.440 122 V N -2.049 117.827 119.914 -0.064 0.000 2.932 122 V HA 0.300 4.420 4.120 0.001 0.000 0.307 122 V C -0.499 175.561 176.094 -0.057 0.000 1.147 122 V CA -0.815 61.449 62.300 -0.059 0.000 0.951 122 V CB 2.256 34.040 31.823 -0.066 0.000 1.031 122 V HN -0.071 nan 8.190 nan 0.000 0.426 123 S N 2.140 117.811 115.700 -0.048 0.000 2.475 123 S HA 0.856 5.326 4.470 0.001 0.000 0.281 123 S C 0.142 174.716 174.600 -0.043 0.000 1.198 123 S CA 0.535 58.709 58.200 -0.043 0.000 1.063 123 S CB 0.699 63.879 63.200 -0.034 0.000 0.972 123 S HN 1.429 nan 8.310 nan 0.000 0.486 124 G N 4.485 113.261 108.800 -0.040 0.000 2.320 124 G HA2 0.427 4.387 3.960 0.001 0.000 0.296 124 G HA3 0.427 4.387 3.960 0.001 0.000 0.296 124 G C -3.594 171.290 174.900 -0.026 0.000 1.306 124 G CA -0.823 44.258 45.100 -0.032 0.000 0.836 124 G HN 0.486 nan 8.290 nan 0.000 0.517 125 P HA 0.352 nan 4.420 nan 0.000 0.274 125 P C -0.220 177.051 177.300 -0.049 0.000 1.237 125 P CA -0.571 62.531 63.100 0.004 0.000 0.793 125 P CB 0.577 32.313 31.700 0.061 0.000 0.977 126 R N 2.224 122.681 120.500 -0.072 0.000 2.502 126 R HA 0.128 4.469 4.340 0.001 0.000 0.292 126 R C -0.484 175.686 176.300 -0.216 0.000 0.998 126 R CA 0.152 56.145 56.100 -0.179 0.000 1.056 126 R CB -0.580 29.587 30.300 -0.222 0.000 0.939 126 R HN 0.408 nan 8.270 nan 0.000 0.411 127 I N 5.283 125.692 120.570 -0.268 0.000 2.359 127 I HA 0.212 4.383 4.170 0.001 0.000 0.294 127 I C -0.562 175.349 176.117 -0.343 0.000 0.987 127 I CA -0.573 60.610 61.300 -0.195 0.000 1.225 127 I CB 1.218 39.148 38.000 -0.117 0.000 1.366 127 I HN 0.497 nan 8.210 nan 0.000 0.466 128 F N 7.125 127.068 119.950 -0.013 0.000 2.293 128 F HA 0.359 4.887 4.527 0.001 0.000 0.370 128 F C -2.105 173.679 175.800 -0.028 0.000 1.090 128 F CA -2.235 55.761 58.000 -0.007 0.000 1.133 128 F CB 0.725 39.728 39.000 0.006 0.000 1.360 128 F HN 0.209 nan 8.300 nan 0.000 0.489 129 P HA 0.174 nan 4.420 nan 0.000 0.284 129 P C 0.015 177.329 177.300 0.023 0.000 1.253 129 P CA -0.297 62.830 63.100 0.043 0.000 0.800 129 P CB 1.839 33.566 31.700 0.045 0.000 0.961 130 S N 1.096 116.785 115.700 -0.017 0.000 2.524 130 S HA 0.234 4.704 4.470 0.001 0.000 0.216 130 S C 1.385 175.959 174.600 -0.042 0.000 0.987 130 S CA 0.567 58.740 58.200 -0.045 0.000 0.909 130 S CB -0.595 62.568 63.200 -0.062 0.000 0.781 130 S HN 0.870 nan 8.310 nan 0.000 0.521 131 G N 2.298 111.083 108.800 -0.026 0.000 2.687 131 G HA2 -0.283 3.677 3.960 0.001 0.000 0.303 131 G HA3 -0.283 3.677 3.960 0.001 0.000 0.303 131 G C -0.354 174.505 174.900 -0.068 0.000 1.209 131 G CA 0.153 45.227 45.100 -0.043 0.000 0.968 131 G HN 0.436 nan 8.290 nan 0.000 0.549 132 K N 1.169 121.502 120.400 -0.111 0.000 2.270 132 K HA 0.687 5.007 4.320 0.001 0.000 0.255 132 K C 0.175 176.740 176.600 -0.060 0.000 0.936 132 K CA -0.136 56.084 56.287 -0.111 0.000 0.809 132 K CB 2.256 34.607 32.500 -0.247 0.000 1.131 132 K HN 0.976 nan 8.250 nan 0.000 0.427 133 A N 3.692 126.509 122.820 -0.005 0.000 2.511 133 A HA 0.167 4.487 4.320 0.001 0.000 0.242 133 A C 0.155 177.759 177.584 0.032 0.000 1.069 133 A CA -0.179 51.877 52.037 0.032 0.000 0.763 133 A CB -0.167 18.878 19.000 0.076 0.000 1.001 133 A HN 0.653 nan 8.150 nan 0.000 0.498 134 L N 2.575 123.839 121.223 0.068 0.000 2.319 134 L HA 0.439 4.779 4.340 0.001 0.000 0.280 134 L C 0.705 177.716 176.870 0.235 0.000 1.099 134 L CA -0.023 54.896 54.840 0.132 0.000 0.828 134 L CB 1.048 43.172 42.059 0.107 0.000 1.150 134 L HN 0.721 nan 8.230 nan 0.000 0.442 135 S N 2.430 118.233 115.700 0.172 0.000 2.536 135 S HA 0.471 4.941 4.470 0.001 0.000 0.287 135 S C -0.661 173.885 174.600 -0.090 0.000 1.101 135 S CA -0.878 57.336 58.200 0.023 0.000 0.950 135 S CB 1.834 64.979 63.200 -0.091 0.000 1.056 135 S HN 0.637 nan 8.310 nan 0.000 0.481 136 Q N 1.916 121.419 119.800 -0.495 0.000 2.318 136 Q HA 0.505 4.845 4.340 0.001 0.000 0.222 136 Q C -0.256 175.614 176.000 -0.217 0.000 1.003 136 Q CA -0.612 54.927 55.803 -0.440 0.000 0.936 136 Q CB -0.179 28.112 28.738 -0.745 0.000 1.204 136 Q HN 0.494 nan 8.270 nan 0.000 0.524 137 T N 1.015 115.492 114.554 -0.128 0.000 2.928 137 T HA 0.310 4.660 4.350 0.001 0.000 0.305 137 T C 1.009 175.649 174.700 -0.099 0.000 1.035 137 T CA 0.907 62.956 62.100 -0.084 0.000 1.145 137 T CB 0.019 68.860 68.868 -0.044 0.000 0.963 137 T HN 0.988 nan 8.240 nan 0.000 0.545 138 G N 2.424 111.168 108.800 -0.092 0.000 2.225 138 G HA2 -0.157 3.804 3.960 0.001 0.000 0.267 138 G HA3 -0.157 3.804 3.960 0.001 0.000 0.267 138 G C 0.505 175.342 174.900 -0.105 0.000 1.024 138 G CA 0.087 45.136 45.100 -0.086 0.000 0.784 138 G HN 1.119 nan 8.290 nan 0.000 0.507 139 G N -2.111 106.600 108.800 -0.149 0.000 2.532 139 G HA2 0.465 4.426 3.960 0.001 0.000 0.291 139 G HA3 0.465 4.426 3.960 0.001 0.000 0.291 139 G C 0.615 175.429 174.900 -0.142 0.000 1.349 139 G CA 0.389 45.403 45.100 -0.143 0.000 1.038 139 G HN 0.468 nan 8.290 nan 0.000 0.518 140 H N -0.880 118.065 119.070 -0.208 0.000 2.521 140 H HA 0.006 4.562 4.556 0.000 0.000 0.286 140 H C 2.262 177.336 175.328 -0.423 0.000 1.034 140 H CA 1.753 57.654 56.048 -0.245 0.000 1.278 140 H CB -0.077 29.546 29.762 -0.233 0.000 1.386 140 H HN 0.409 nan 8.280 nan 0.000 0.567 141 G N -1.186 107.308 108.800 -0.510 0.000 3.020 141 G HA2 -0.053 3.908 3.960 0.001 0.000 0.217 141 G HA3 -0.053 3.908 3.960 0.001 0.000 0.217 141 G C -0.083 174.299 174.900 -0.864 0.000 1.144 141 G CA -0.047 44.633 45.100 -0.700 0.000 0.760 141 G HN 0.279 nan 8.290 nan 0.000 0.548 142 D N 0.380 120.403 120.400 -0.628 0.000 2.336 142 D HA 0.230 4.871 4.640 0.001 0.000 0.249 142 D C -0.217 175.777 176.300 -0.509 0.000 1.213 142 D CA -0.706 53.043 54.000 -0.420 0.000 0.870 142 D CB 0.495 41.168 40.800 -0.213 0.000 1.076 142 D HN 0.048 nan 8.370 nan 0.000 0.483 143 F N 2.429 122.361 119.950 -0.031 0.000 2.668 143 F HA 0.252 4.779 4.527 0.001 0.000 0.297 143 F C 1.146 176.939 175.800 -0.011 0.000 1.124 143 F CA -0.422 57.561 58.000 -0.028 0.000 1.353 143 F CB 0.049 39.027 39.000 -0.037 0.000 0.992 143 F HN -0.027 nan 8.300 nan 0.000 0.524 144 R N 2.314 122.866 120.500 0.086 0.000 2.340 144 R HA 0.255 4.595 4.340 0.001 0.000 0.300 144 R C -2.208 174.122 176.300 0.050 0.000 1.069 144 R CA -1.584 54.554 56.100 0.064 0.000 0.984 144 R CB 0.077 30.397 30.300 0.033 0.000 1.003 144 R HN -0.038 nan 8.270 nan 0.000 0.459 145 P HA 0.079 nan 4.420 nan 0.000 0.274 145 P C -0.373 176.943 177.300 0.026 0.000 1.237 145 P CA -0.510 62.615 63.100 0.041 0.000 0.793 145 P CB 0.732 32.455 31.700 0.038 0.000 0.977 151 E N -0.163 120.042 120.200 0.008 0.000 2.314 151 E HA -0.057 4.293 4.350 0.001 0.000 0.238 151 E C -2.433 174.173 176.600 0.010 0.000 1.184 151 E CA 0.849 57.254 56.400 0.008 0.000 1.184 151 E CB -1.597 28.107 29.700 0.005 0.000 1.991 151 E HN 0.357 nan 8.360 nan 0.000 0.631 152 P HA -0.125 nan 4.420 nan 0.000 0.255 152 P C 0.860 178.166 177.300 0.010 0.000 1.132 152 P CA 1.075 64.180 63.100 0.007 0.000 0.766 152 P CB -0.513 31.190 31.700 0.004 0.000 0.715 153 C N 1.909 121.217 119.300 0.013 0.000 6.329 153 C HA 0.390 4.850 4.460 0.001 0.000 0.194 153 C C 0.891 175.886 174.990 0.009 0.000 2.262 153 C CA 0.607 59.636 59.018 0.019 0.000 1.794 153 C CB -1.006 26.753 27.740 0.032 0.000 1.954 153 C HN 0.675 nan 8.230 nan 0.000 0.198 154 S N -0.344 115.358 115.700 0.004 0.000 2.381 154 S HA 0.332 4.802 4.470 0.001 0.000 0.193 154 S C 0.482 175.045 174.600 -0.061 0.000 1.287 154 S CA -0.015 58.179 58.200 -0.011 0.000 1.199 154 S CB -0.049 63.163 63.200 0.020 0.000 1.214 154 S HN 1.686 nan 8.310 nan 0.000 0.444 155 C N 1.089 120.341 119.300 -0.080 0.000 2.284 155 C HA -0.299 4.161 4.460 0.001 0.000 0.233 155 C C 1.629 176.453 174.990 -0.278 0.000 1.016 155 C CA 0.889 59.824 59.018 -0.138 0.000 1.887 155 C CB -2.526 25.155 27.740 -0.098 0.000 1.979 155 C HN 1.494 nan 8.230 nan 0.000 0.398 156 C N -1.939 117.205 119.300 -0.260 0.000 3.080 156 C HA 0.805 5.265 4.460 0.001 0.000 0.307 156 C C -0.529 174.330 174.990 -0.219 0.000 1.311 156 C CA -1.708 57.071 59.018 -0.398 0.000 1.533 156 C CB 0.334 27.925 27.740 -0.249 0.000 1.970 156 C HN 0.565 nan 8.230 nan 0.000 0.467 157 F N 2.218 122.180 119.950 0.020 0.000 2.411 157 F HA 0.476 5.003 4.527 0.000 0.000 0.355 157 F C 1.283 177.097 175.800 0.023 0.000 1.117 157 F CA -0.598 57.417 58.000 0.025 0.000 1.139 157 F CB 0.872 39.888 39.000 0.027 0.000 1.120 157 F HN 0.417 nan 8.300 nan 0.000 0.493 158 R N 1.468 122.104 120.500 0.225 0.000 2.389 158 R HA 0.118 4.459 4.340 0.001 0.000 0.295 158 R C 1.000 177.366 176.300 0.109 0.000 1.075 158 R CA -0.003 56.173 56.100 0.127 0.000 1.005 158 R CB 0.434 30.790 30.300 0.094 0.000 0.987 158 R HN 0.711 nan 8.270 nan 0.000 0.452 159 T N -1.217 113.383 114.554 0.077 0.000 3.072 159 T HA -0.051 4.299 4.350 0.001 0.000 0.266 159 T C 1.638 176.360 174.700 0.036 0.000 1.127 159 T CA 0.889 63.023 62.100 0.057 0.000 1.107 159 T CB 0.081 68.976 68.868 0.045 0.000 0.910 159 T HN 0.711 nan 8.240 nan 0.000 0.513 160 G N 0.662 109.481 108.800 0.031 0.000 2.985 160 G HA2 0.488 4.448 3.960 0.001 0.000 0.209 160 G HA3 0.488 4.448 3.960 0.001 0.000 0.209 160 G C 0.474 175.378 174.900 0.007 0.000 1.165 160 G CA -0.033 45.074 45.100 0.010 0.000 0.776 160 G HN 0.765 nan 8.290 nan 0.000 0.541 161 A N 0.647 123.488 122.820 0.035 0.000 2.320 161 A HA 0.590 4.910 4.320 0.001 0.000 0.287 161 A C 1.129 178.742 177.584 0.049 0.000 1.181 161 A CA -0.531 51.538 52.037 0.053 0.000 0.831 161 A CB 0.598 19.657 19.000 0.098 0.000 1.102 161 A HN 0.027 nan 8.150 nan 0.000 0.513 162 I N 1.361 121.974 120.570 0.071 0.000 2.353 162 I HA -0.011 4.159 4.170 0.001 0.000 0.248 162 I C 1.482 177.647 176.117 0.079 0.000 1.119 162 I CA 1.638 62.988 61.300 0.084 0.000 1.417 162 I CB -1.251 36.778 38.000 0.050 0.000 1.078 162 I HN 0.676 nan 8.210 nan 0.000 0.421 163 A N 0.888 123.763 122.820 0.092 0.000 2.485 163 A HA 0.791 5.111 4.320 0.001 0.000 0.292 163 A C -0.043 177.551 177.584 0.016 0.000 1.147 163 A CA -0.658 51.400 52.037 0.035 0.000 0.750 163 A CB 1.674 20.673 19.000 -0.000 0.000 1.331 163 A HN 0.257 nan 8.150 nan 0.000 0.419 164 R N -0.561 119.936 120.500 -0.005 0.000 2.854 164 R HA 0.785 5.126 4.340 0.001 0.000 0.271 164 R C -1.818 174.518 176.300 0.061 0.000 0.994 164 R CA -0.754 55.374 56.100 0.047 0.000 0.945 164 R CB 1.522 31.827 30.300 0.008 0.000 1.194 164 R HN 0.323 nan 8.270 nan 0.000 0.476 165 V N 1.901 121.868 119.914 0.088 0.000 2.370 165 V HA 0.479 4.599 4.120 0.001 0.000 0.283 165 V C -0.289 175.863 176.094 0.097 0.000 1.023 165 V CA -0.604 61.733 62.300 0.061 0.000 0.857 165 V CB 1.204 33.041 31.823 0.023 0.000 0.985 165 V HN 0.646 nan 8.190 nan 0.000 0.443 166 V N 1.271 121.260 119.914 0.125 0.000 2.733 166 V HA 0.769 4.889 4.120 0.001 0.000 0.306 166 V C -1.276 174.935 176.094 0.195 0.000 1.084 166 V CA -0.800 61.584 62.300 0.141 0.000 0.905 166 V CB 2.025 33.930 31.823 0.136 0.000 1.010 166 V HN 0.753 nan 8.190 nan 0.000 0.424 167 D N 1.902 122.387 120.400 0.142 0.000 2.433 167 D HA 0.867 5.508 4.640 0.001 0.000 0.236 167 D C 0.273 176.646 176.300 0.122 0.000 1.026 167 D CA 0.633 54.730 54.000 0.161 0.000 0.884 167 D CB 1.822 42.674 40.800 0.086 0.000 1.384 167 D HN 1.496 nan 8.370 nan 0.000 0.477 168 G N -0.954 107.923 108.800 0.128 0.000 2.663 168 G HA2 -0.143 3.817 3.960 0.001 0.000 0.686 168 G HA3 -0.143 3.817 3.960 0.001 0.000 0.686 168 G C 0.539 175.469 174.900 0.050 0.000 1.246 168 G CA -0.475 44.670 45.100 0.076 0.000 0.795 168 G HN 0.404 nan 8.290 nan 0.000 0.627 169 V N 1.072 121.004 119.914 0.031 0.000 2.270 169 V HA -0.114 4.007 4.120 0.001 0.000 0.245 169 V C 2.690 178.786 176.094 0.003 0.000 1.043 169 V CA 2.680 64.985 62.300 0.008 0.000 1.014 169 V CB -0.485 31.343 31.823 0.007 0.000 0.645 169 V HN 0.767 nan 8.190 nan 0.000 0.447 170 E N 0.663 120.870 120.200 0.011 0.000 2.204 170 E HA -0.131 4.219 4.350 0.001 0.000 0.195 170 E C 2.271 178.879 176.600 0.014 0.000 0.990 170 E CA 1.346 57.752 56.400 0.010 0.000 0.821 170 E CB -0.692 29.015 29.700 0.012 0.000 0.750 170 E HN 0.626 nan 8.360 nan 0.000 0.477 171 G N 1.448 110.263 108.800 0.025 0.000 2.414 171 G HA2 -0.203 3.758 3.960 0.001 0.000 0.215 171 G HA3 -0.203 3.758 3.960 0.001 0.000 0.215 171 G C 1.827 176.745 174.900 0.030 0.000 1.188 171 G CA 1.498 46.620 45.100 0.037 0.000 0.783 171 G HN 0.311 nan 8.290 nan 0.000 0.537 172 V N -1.061 118.860 119.914 0.011 0.000 2.407 172 V HA -0.034 4.086 4.120 0.001 0.000 0.248 172 V C 2.482 178.554 176.094 -0.038 0.000 1.055 172 V CA 2.138 64.417 62.300 -0.035 0.000 1.049 172 V CB -0.608 31.134 31.823 -0.135 0.000 0.662 172 V HN 0.283 nan 8.190 nan 0.000 0.455 173 R N -0.504 119.980 120.500 -0.027 0.000 2.070 173 R HA -0.081 4.260 4.340 0.001 0.000 0.233 173 R C 2.356 178.648 176.300 -0.014 0.000 1.137 173 R CA 1.967 58.052 56.100 -0.024 0.000 0.945 173 R CB -0.581 29.710 30.300 -0.016 0.000 0.845 173 R HN 0.542 nan 8.270 nan 0.000 0.430 174 L N 0.855 122.078 121.223 -0.001 0.000 1.990 174 L HA -0.202 4.138 4.340 0.001 0.000 0.213 174 L C 2.286 179.163 176.870 0.012 0.000 1.072 174 L CA 2.331 57.176 54.840 0.008 0.000 0.755 174 L CB -0.928 41.143 42.059 0.020 0.000 0.889 174 L HN 0.220 nan 8.230 nan 0.000 0.432 175 A N -1.454 121.378 122.820 0.018 0.000 1.940 175 A HA -0.180 4.140 4.320 0.001 0.000 0.219 175 A C 2.299 179.879 177.584 -0.007 0.000 1.176 175 A CA 2.123 54.174 52.037 0.024 0.000 0.631 175 A CB -1.134 17.886 19.000 0.033 0.000 0.814 175 A HN 0.349 nan 8.150 nan 0.000 0.446 176 V N -0.142 119.758 119.914 -0.025 0.000 2.295 176 V HA -0.269 3.851 4.120 0.001 0.000 0.246 176 V C 2.635 178.709 176.094 -0.033 0.000 1.049 176 V CA 2.252 64.528 62.300 -0.039 0.000 1.024 176 V CB -0.788 31.005 31.823 -0.049 0.000 0.648 176 V HN 0.544 nan 8.190 nan 0.000 0.447 177 R N -0.155 120.330 120.500 -0.024 0.000 2.091 177 R HA -0.204 4.136 4.340 0.001 0.000 0.238 177 R C 2.296 178.584 176.300 -0.021 0.000 1.136 177 R CA 1.845 57.931 56.100 -0.022 0.000 0.959 177 R CB -0.331 29.960 30.300 -0.015 0.000 0.856 177 R HN 0.624 nan 8.270 nan 0.000 0.437 178 E N 0.234 120.431 120.200 -0.006 0.000 2.077 178 E HA -0.177 4.174 4.350 0.001 0.000 0.193 178 E C 1.913 178.503 176.600 -0.016 0.000 0.989 178 E CA 0.906 57.309 56.400 0.005 0.000 0.800 178 E CB 0.082 29.811 29.700 0.048 0.000 0.746 178 E HN 0.248 nan 8.360 nan 0.000 0.452 179 E N 0.287 120.469 120.200 -0.030 0.000 2.204 179 E HA -0.111 4.240 4.350 0.001 0.000 0.194 179 E C 2.031 178.600 176.600 -0.052 0.000 0.989 179 E CA 0.663 57.033 56.400 -0.050 0.000 0.824 179 E CB 0.026 29.688 29.700 -0.064 0.000 0.756 179 E HN 0.343 nan 8.360 nan 0.000 0.477 180 I N 0.715 121.254 120.570 -0.052 0.000 2.480 180 I HA -0.181 3.989 4.170 0.001 0.000 0.251 180 I C 2.655 178.726 176.117 -0.077 0.000 1.124 180 I CA 0.519 61.785 61.300 -0.056 0.000 1.444 180 I CB -0.036 37.935 38.000 -0.048 0.000 1.098 180 I HN 0.008 nan 8.210 nan 0.000 0.428 181 Q N 1.554 121.308 119.800 -0.075 0.000 2.077 181 Q HA -0.270 4.071 4.340 0.001 0.000 0.206 181 Q C 1.855 177.759 176.000 -0.160 0.000 0.989 181 Q CA 1.762 57.503 55.803 -0.104 0.000 0.853 181 Q CB -0.089 28.605 28.738 -0.074 0.000 0.907 181 Q HN 0.444 nan 8.270 nan 0.000 0.418 182 K N -1.140 119.187 120.400 -0.122 0.000 2.555 182 K HA -0.003 4.317 4.320 0.001 0.000 0.193 182 K C 0.822 177.320 176.600 -0.170 0.000 1.032 182 K CA 0.525 56.729 56.287 -0.139 0.000 1.004 182 K CB 0.036 32.509 32.500 -0.045 0.000 0.804 182 K HN 0.474 nan 8.250 nan 0.000 0.496 183 G N 0.949 109.651 108.800 -0.164 0.000 2.132 183 G HA2 -0.275 3.685 3.960 0.001 0.000 0.228 183 G HA3 -0.275 3.685 3.960 0.001 0.000 0.228 183 G C 0.226 175.159 174.900 0.054 0.000 1.000 183 G CA -0.064 44.963 45.100 -0.123 0.000 0.693 183 G HN 0.458 nan 8.290 nan 0.000 0.515 184 A N -0.146 122.686 122.820 0.021 0.000 2.583 184 A HA 0.530 4.850 4.320 0.001 0.000 0.231 184 A C 1.723 179.323 177.584 0.026 0.000 1.065 184 A CA 1.823 53.873 52.037 0.022 0.000 0.760 184 A CB 0.186 19.169 19.000 -0.027 0.000 1.001 184 A HN 1.663 nan 8.150 nan 0.000 0.509 185 T N -1.682 112.897 114.554 0.040 0.000 3.015 185 T HA 0.265 4.615 4.350 0.001 0.000 0.250 185 T C 0.513 175.168 174.700 -0.075 0.000 1.057 185 T CA 0.765 62.898 62.100 0.055 0.000 1.066 185 T CB -0.047 68.945 68.868 0.205 0.000 0.959 185 T HN 1.019 nan 8.240 nan 0.000 0.488 186 Q N 0.231 119.932 119.800 -0.166 0.000 2.685 186 Q HA 0.463 4.803 4.340 0.001 0.000 0.301 186 Q C -2.080 173.756 176.000 -0.272 0.000 0.924 186 Q CA -1.081 54.481 55.803 -0.403 0.000 0.755 186 Q CB 1.057 29.304 28.738 -0.818 0.000 1.470 186 Q HN 0.173 nan 8.270 nan 0.000 0.434 187 I N 1.428 121.818 120.570 -0.300 0.000 2.406 187 I HA 0.428 4.598 4.170 0.001 0.000 0.290 187 I C -0.316 175.739 176.117 -0.104 0.000 0.999 187 I CA -0.566 60.640 61.300 -0.157 0.000 1.124 187 I CB 1.425 39.352 38.000 -0.121 0.000 1.289 187 I HN 0.703 nan 8.210 nan 0.000 0.441 188 K N 7.965 128.336 120.400 -0.048 0.000 2.185 188 K HA 0.737 5.057 4.320 0.001 0.000 0.269 188 K C -0.850 175.784 176.600 0.056 0.000 0.987 188 K CA -0.439 55.860 56.287 0.019 0.000 0.865 188 K CB 1.400 33.917 32.500 0.028 0.000 1.090 188 K HN 0.661 nan 8.250 nan 0.000 0.450 189 I N 0.201 120.834 120.570 0.106 0.000 2.892 189 I HA 0.514 4.684 4.170 0.001 0.000 0.306 189 I C -0.829 175.434 176.117 0.243 0.000 1.078 189 I CA -1.172 60.227 61.300 0.166 0.000 1.032 189 I CB 2.092 40.163 38.000 0.118 0.000 1.229 189 I HN 0.384 nan 8.210 nan 0.000 0.435 190 M N 4.163 123.933 119.600 0.284 0.000 2.080 190 M HA 0.443 4.923 4.480 0.001 0.000 0.350 190 M C 0.208 176.681 176.300 0.289 0.000 1.173 190 M CA -0.340 55.127 55.300 0.279 0.000 1.052 190 M CB 0.802 33.500 32.600 0.163 0.000 1.577 190 M HN 0.896 nan 8.290 nan 0.000 0.455 191 A N 2.438 125.423 122.820 0.276 0.000 2.538 191 A HA 0.463 4.784 4.320 0.001 0.000 0.269 191 A C 0.499 178.167 177.584 0.141 0.000 1.231 191 A CA 0.125 52.288 52.037 0.210 0.000 0.948 191 A CB 0.300 19.402 19.000 0.170 0.000 1.110 191 A HN 0.833 nan 8.150 nan 0.000 0.529 192 S N -1.928 113.876 115.700 0.173 0.000 2.611 192 S HA 0.630 5.100 4.470 0.001 0.000 0.268 192 S C 0.279 174.975 174.600 0.161 0.000 1.156 192 S CA -0.065 58.209 58.200 0.123 0.000 0.817 192 S CB 0.398 63.639 63.200 0.068 0.000 1.122 192 S HN 1.136 nan 8.310 nan 0.000 0.466 193 G N -0.339 108.528 108.800 0.111 0.000 2.690 193 G HA2 0.513 4.473 3.960 0.001 0.000 0.239 193 G HA3 0.513 4.473 3.960 0.001 0.000 0.239 193 G C 0.440 175.409 174.900 0.115 0.000 1.233 193 G CA 0.040 45.193 45.100 0.088 0.000 0.847 193 G HN 1.309 nan 8.290 nan 0.000 0.588 194 G N -2.029 106.740 108.800 -0.052 0.000 3.183 194 G HA2 0.456 4.416 3.960 0.001 0.000 0.247 194 G HA3 0.456 4.416 3.960 0.001 0.000 0.247 194 G C 0.211 175.136 174.900 0.041 0.000 1.211 194 G CA 0.403 45.401 45.100 -0.170 0.000 0.835 194 G HN 0.694 nan 8.290 nan 0.000 0.604 195 V N 0.217 120.234 119.914 0.172 0.000 2.908 195 V HA 0.260 4.380 4.120 0.001 0.000 0.240 195 V C 2.680 178.918 176.094 0.241 0.000 1.117 195 V CA 1.545 63.949 62.300 0.174 0.000 1.133 195 V CB 0.371 32.305 31.823 0.186 0.000 0.857 195 V HN 0.786 nan 8.190 nan 0.000 0.478 196 A N 0.754 123.801 122.820 0.379 0.000 2.238 196 A HA 0.211 4.532 4.320 0.001 0.000 0.208 196 A C 1.200 178.973 177.584 0.316 0.000 1.177 196 A CA 0.680 52.883 52.037 0.278 0.000 0.804 196 A CB -0.316 18.811 19.000 0.212 0.000 0.823 196 A HN 0.577 nan 8.150 nan 0.000 0.482 197 S N -0.758 115.130 115.700 0.313 0.000 2.593 197 S HA 0.535 5.006 4.470 0.001 0.000 0.297 197 S C -1.835 172.860 174.600 0.159 0.000 1.112 197 S CA -1.321 57.007 58.200 0.213 0.000 1.043 197 S CB 1.770 64.978 63.200 0.012 0.000 1.054 197 S HN 0.097 nan 8.310 nan 0.000 0.516 198 P HA -0.052 nan 4.420 nan 0.000 0.215 198 P C 1.305 178.637 177.300 0.053 0.000 1.157 198 P CA 1.669 64.823 63.100 0.090 0.000 0.859 198 P CB -0.353 31.400 31.700 0.089 0.000 0.786 199 T N -3.889 110.683 114.554 0.030 0.000 3.022 199 T HA 0.049 4.399 4.350 0.001 0.000 0.250 199 T C 0.434 175.141 174.700 0.012 0.000 1.060 199 T CA -0.328 61.781 62.100 0.014 0.000 1.013 199 T CB -0.562 68.305 68.868 -0.001 0.000 0.982 199 T HN 0.104 nan 8.240 nan 0.000 0.508 200 D N 3.088 123.502 120.400 0.023 0.000 2.329 200 D HA 0.322 4.963 4.640 0.001 0.000 0.232 200 D C -2.826 173.491 176.300 0.027 0.000 1.088 200 D CA -2.120 51.894 54.000 0.023 0.000 0.835 200 D CB 1.676 42.494 40.800 0.030 0.000 1.078 200 D HN 0.154 nan 8.370 nan 0.000 0.495 201 P HA 0.012 nan 4.420 nan 0.000 0.269 201 P C 1.226 178.526 177.300 0.000 0.000 1.215 201 P CA -0.484 62.615 63.100 -0.002 0.000 0.780 201 P CB 1.444 33.139 31.700 -0.009 0.000 0.898 202 I N 0.657 121.211 120.570 -0.027 0.000 2.546 202 I HA -0.144 4.027 4.170 0.001 0.000 0.255 202 I C 1.641 177.762 176.117 0.007 0.000 1.163 202 I CA 1.371 62.657 61.300 -0.025 0.000 1.457 202 I CB -0.291 37.605 38.000 -0.174 0.000 1.092 202 I HN 0.260 nan 8.210 nan 0.000 0.434 203 A N 2.043 124.854 122.820 -0.015 0.000 2.066 203 A HA -0.094 4.226 4.320 0.001 0.000 0.218 203 A C 1.091 178.683 177.584 0.012 0.000 1.157 203 A CA 0.836 52.870 52.037 -0.006 0.000 0.670 203 A CB -0.936 18.051 19.000 -0.020 0.000 0.804 203 A HN 0.798 nan 8.150 nan 0.000 0.453 204 N N 0.055 118.764 118.700 0.016 0.000 2.493 204 N HA 0.310 5.050 4.740 0.001 0.000 0.275 204 N C -0.212 175.315 175.510 0.028 0.000 1.186 204 N CA 0.235 53.295 53.050 0.017 0.000 0.978 204 N CB 0.668 39.159 38.487 0.008 0.000 1.184 204 N HN 0.154 nan 8.380 nan 0.000 0.487 205 T N -2.047 112.522 114.554 0.025 0.000 2.934 205 T HA 0.317 4.667 4.350 0.001 0.000 0.283 205 T C -0.354 174.361 174.700 0.024 0.000 1.005 205 T CA -0.763 61.358 62.100 0.035 0.000 1.041 205 T CB 1.575 70.466 68.868 0.037 0.000 1.042 205 T HN 0.594 nan 8.240 nan 0.000 0.505 206 Q N 0.395 120.218 119.800 0.038 0.000 2.375 206 Q HA 0.506 4.846 4.340 0.001 0.000 0.271 206 Q C -1.566 174.476 176.000 0.070 0.000 1.074 206 Q CA -0.949 54.841 55.803 -0.022 0.000 0.808 206 Q CB 2.279 30.971 28.738 -0.076 0.000 1.327 206 Q HN 0.843 nan 8.270 nan 0.000 0.441 207 Y N -0.635 119.684 120.300 0.031 0.000 2.540 207 Y HA -0.297 4.254 4.550 0.000 0.000 0.022 207 Y C 0.369 176.282 175.900 0.022 0.000 1.737 207 Y CA 0.149 58.265 58.100 0.026 0.000 1.396 207 Y CB -0.422 38.056 38.460 0.029 0.000 2.043 207 Y HN 0.789 nan 8.280 nan 0.000 0.259 208 S N 1.610 117.439 115.700 0.214 0.000 2.589 208 S HA 0.136 4.606 4.470 0.001 0.000 0.265 208 S C 0.834 175.492 174.600 0.097 0.000 1.342 208 S CA -0.005 58.267 58.200 0.119 0.000 1.005 208 S CB 1.320 64.574 63.200 0.091 0.000 0.909 208 S HN 0.683 nan 8.310 nan 0.000 0.555 209 E N 0.405 120.641 120.200 0.061 0.000 2.208 209 E HA -0.128 4.222 4.350 0.001 0.000 0.193 209 E C 0.994 177.608 176.600 0.025 0.000 0.988 209 E CA 0.985 57.409 56.400 0.040 0.000 0.828 209 E CB -0.175 29.544 29.700 0.031 0.000 0.763 209 E HN 0.638 nan 8.360 nan 0.000 0.478 210 D N 1.130 121.546 120.400 0.027 0.000 2.144 210 D HA -0.132 4.509 4.640 0.001 0.000 0.200 210 D C 1.696 177.994 176.300 -0.003 0.000 0.978 210 D CA 0.995 55.003 54.000 0.015 0.000 0.833 210 D CB -0.016 40.797 40.800 0.021 0.000 0.961 210 D HN 0.252 nan 8.370 nan 0.000 0.470 211 E N 0.085 120.285 120.200 -0.001 0.000 2.046 211 E HA -0.056 4.295 4.350 0.001 0.000 0.190 211 E C 2.360 178.876 176.600 -0.139 0.000 0.982 211 E CA 0.413 56.773 56.400 -0.066 0.000 0.800 211 E CB 0.053 29.732 29.700 -0.035 0.000 0.756 211 E HN 0.253 nan 8.360 nan 0.000 0.449 212 I N 0.696 121.205 120.570 -0.102 0.000 2.179 212 I HA -0.280 3.891 4.170 0.001 0.000 0.242 212 I C 2.566 178.646 176.117 -0.060 0.000 1.088 212 I CA 1.063 62.303 61.300 -0.101 0.000 1.357 212 I CB -0.282 37.704 38.000 -0.023 0.000 1.051 212 I HN 0.036 nan 8.210 nan 0.000 0.409 213 R N 0.684 121.167 120.500 -0.029 0.000 2.117 213 R HA -0.194 4.146 4.340 0.001 0.000 0.243 213 R C 2.420 178.705 176.300 -0.025 0.000 1.143 213 R CA 1.635 57.726 56.100 -0.015 0.000 0.968 213 R CB -0.379 29.919 30.300 -0.002 0.000 0.863 213 R HN 0.413 nan 8.270 nan 0.000 0.444 214 A N 0.715 123.511 122.820 -0.040 0.000 1.930 214 A HA -0.127 4.193 4.320 0.001 0.000 0.217 214 A C 2.071 179.624 177.584 -0.051 0.000 1.175 214 A CA 1.142 53.155 52.037 -0.040 0.000 0.627 214 A CB -0.334 18.641 19.000 -0.042 0.000 0.815 214 A HN 0.203 nan 8.150 nan 0.000 0.443 215 I N -0.726 119.795 120.570 -0.081 0.000 2.252 215 I HA -0.176 3.994 4.170 0.001 0.000 0.245 215 I C 2.307 178.392 176.117 -0.053 0.000 1.102 215 I CA 0.890 62.137 61.300 -0.089 0.000 1.385 215 I CB -0.263 37.649 38.000 -0.146 0.000 1.064 215 I HN 0.130 nan 8.210 nan 0.000 0.414 216 V N 0.832 120.725 119.914 -0.035 0.000 2.407 216 V HA -0.289 3.831 4.120 0.001 0.000 0.248 216 V C 2.003 178.099 176.094 0.003 0.000 1.055 216 V CA 1.955 64.253 62.300 -0.003 0.000 1.049 216 V CB -0.647 31.183 31.823 0.013 0.000 0.662 216 V HN 0.400 nan 8.190 nan 0.000 0.455 217 D N -0.396 120.001 120.400 -0.005 0.000 2.117 217 D HA -0.119 4.521 4.640 0.001 0.000 0.198 217 D C 2.293 178.590 176.300 -0.006 0.000 0.982 217 D CA 0.942 54.941 54.000 -0.001 0.000 0.828 217 D CB -0.190 40.608 40.800 -0.003 0.000 0.967 217 D HN 0.381 nan 8.370 nan 0.000 0.464 218 E N 0.597 120.786 120.200 -0.017 0.000 2.150 218 E HA -0.060 4.291 4.350 0.001 0.000 0.193 218 E C 2.037 178.624 176.600 -0.022 0.000 0.985 218 E CA 0.665 57.052 56.400 -0.021 0.000 0.814 218 E CB -0.211 29.472 29.700 -0.030 0.000 0.752 218 E HN 0.215 nan 8.360 nan 0.000 0.466 219 A N 1.405 124.209 122.820 -0.026 0.000 1.898 219 A HA -0.187 4.133 4.320 0.001 0.000 0.216 219 A C 2.067 179.649 177.584 -0.004 0.000 1.181 219 A CA 1.399 53.417 52.037 -0.030 0.000 0.620 219 A CB -0.413 18.561 19.000 -0.044 0.000 0.819 219 A HN 0.179 nan 8.150 nan 0.000 0.442 220 E N -0.336 119.872 120.200 0.014 0.000 2.110 220 E HA -0.096 4.254 4.350 0.001 0.000 0.193 220 E C 2.247 178.858 176.600 0.018 0.000 0.988 220 E CA 0.798 57.215 56.400 0.029 0.000 0.804 220 E CB -0.262 29.458 29.700 0.034 0.000 0.745 220 E HN 0.612 nan 8.360 nan 0.000 0.458 221 A N 1.121 123.946 122.820 0.008 0.000 2.024 221 A HA -0.101 4.219 4.320 0.001 0.000 0.220 221 A C 2.091 179.676 177.584 0.002 0.000 1.164 221 A CA 1.605 53.644 52.037 0.004 0.000 0.643 221 A CB -0.263 18.736 19.000 -0.002 0.000 0.806 221 A HN 0.246 nan 8.150 nan 0.000 0.451 222 A N -0.910 121.909 122.820 -0.002 0.000 2.507 222 A HA 0.344 4.664 4.320 0.001 0.000 0.270 222 A C 0.521 178.110 177.584 0.009 0.000 1.318 222 A CA -0.023 52.012 52.037 -0.003 0.000 0.924 222 A CB -0.472 18.518 19.000 -0.016 0.000 1.061 222 A HN 0.451 nan 8.150 nan 0.000 0.516 223 N N 0.159 118.871 118.700 0.020 0.000 2.727 223 N HA -0.144 4.596 4.740 0.001 0.000 0.249 223 N C 0.107 175.649 175.510 0.054 0.000 1.048 223 N CA 1.591 54.663 53.050 0.037 0.000 0.714 223 N CB -1.158 37.349 38.487 0.034 0.000 0.959 223 N HN 0.643 nan 8.380 nan 0.000 0.544 224 T N -1.319 113.264 114.554 0.048 0.000 2.626 224 T HA 0.704 5.055 4.350 0.001 0.000 0.279 224 T C -1.397 173.364 174.700 0.102 0.000 0.983 224 T CA -0.529 61.609 62.100 0.063 0.000 1.059 224 T CB 1.315 70.147 68.868 -0.059 0.000 1.396 224 T HN 0.216 nan 8.240 nan 0.000 0.519 225 Y N -1.357 118.935 120.300 -0.013 0.000 2.669 225 Y HA 0.849 5.399 4.550 0.000 0.000 0.335 225 Y C -1.350 174.544 175.900 -0.010 0.000 1.116 225 Y CA -1.300 56.794 58.100 -0.010 0.000 1.081 225 Y CB 0.686 39.135 38.460 -0.017 0.000 1.297 225 Y HN 0.337 nan 8.280 nan 0.000 0.484 226 V N 4.118 124.110 119.914 0.131 0.000 2.427 226 V HA 0.397 4.517 4.120 0.001 0.000 0.286 226 V C 0.110 176.323 176.094 0.198 0.000 1.034 226 V CA -0.787 61.544 62.300 0.053 0.000 0.893 226 V CB 1.264 33.115 31.823 0.046 0.000 0.982 226 V HN 0.839 nan 8.190 nan 0.000 0.452 227 M N 3.786 123.455 119.600 0.115 0.000 2.404 227 M HA 0.947 5.428 4.480 0.001 0.000 0.338 227 M C -0.566 175.813 176.300 0.133 0.000 1.150 227 M CA -0.515 54.885 55.300 0.167 0.000 1.016 227 M CB 1.969 34.673 32.600 0.172 0.000 1.672 227 M HN 0.549 nan 8.290 nan 0.000 0.448 228 A N 1.507 124.412 122.820 0.141 0.000 2.381 228 A HA 0.519 4.840 4.320 0.001 0.000 0.299 228 A C -1.561 176.124 177.584 0.168 0.000 1.049 228 A CA -0.640 51.489 52.037 0.152 0.000 0.715 228 A CB 0.720 19.788 19.000 0.113 0.000 1.222 228 A HN 1.023 nan 8.150 nan 0.000 0.428 229 H N 1.898 121.049 119.070 0.134 0.000 2.690 229 H HA 0.673 5.230 4.556 0.000 0.000 0.314 229 H C -0.217 175.110 175.328 -0.001 0.000 1.069 229 H CA 0.668 56.794 56.048 0.131 0.000 1.436 229 H CB 0.865 30.762 29.762 0.225 0.000 1.462 229 H HN 1.098 nan 8.280 nan 0.000 0.511 230 A N 4.931 127.393 122.820 -0.596 0.000 2.534 230 A HA 0.251 4.571 4.320 0.001 0.000 0.300 230 A C -1.502 175.832 177.584 -0.418 0.000 1.054 230 A CA -0.709 51.097 52.037 -0.386 0.000 0.858 230 A CB -0.119 18.821 19.000 -0.099 0.000 1.333 230 A HN 0.693 nan 8.150 nan 0.000 0.391 231 Y N 1.355 121.553 120.300 -0.171 0.000 2.333 231 Y HA 0.162 4.712 4.550 0.000 0.000 0.287 231 Y C 2.198 178.062 175.900 -0.061 0.000 1.149 231 Y CA 1.545 59.572 58.100 -0.121 0.000 1.193 231 Y CB -0.265 38.103 38.460 -0.154 0.000 1.175 231 Y HN 0.765 nan 8.280 nan 0.000 0.518 232 T N -1.383 113.242 114.554 0.118 0.000 2.860 232 T HA 0.265 4.615 4.350 0.001 0.000 0.299 232 T C 1.646 176.367 174.700 0.034 0.000 1.045 232 T CA -0.052 62.080 62.100 0.053 0.000 1.071 232 T CB 1.294 70.179 68.868 0.028 0.000 0.985 232 T HN 0.407 nan 8.240 nan 0.000 0.537 233 G N 0.274 109.082 108.800 0.014 0.000 2.432 233 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 233 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 233 G C 1.554 176.459 174.900 0.009 0.000 1.135 233 G CA 0.713 45.818 45.100 0.009 0.000 0.767 233 G HN 0.864 nan 8.290 nan 0.000 0.550 234 R N 0.489 120.994 120.500 0.008 0.000 2.073 234 R HA 0.041 4.381 4.340 0.001 0.000 0.234 234 R C 2.813 179.122 176.300 0.015 0.000 1.134 234 R CA 1.525 57.630 56.100 0.009 0.000 0.952 234 R CB -0.391 29.914 30.300 0.008 0.000 0.850 234 R HN 0.261 nan 8.270 nan 0.000 0.433 235 A N 0.877 123.709 122.820 0.021 0.000 1.930 235 A HA -0.092 4.228 4.320 0.001 0.000 0.217 235 A C 2.149 179.745 177.584 0.020 0.000 1.175 235 A CA 1.227 53.280 52.037 0.026 0.000 0.627 235 A CB -0.410 18.608 19.000 0.030 0.000 0.815 235 A HN 0.366 nan 8.150 nan 0.000 0.443 236 I N -0.287 120.294 120.570 0.018 0.000 2.179 236 I HA -0.265 3.905 4.170 0.001 0.000 0.242 236 I C 2.987 179.106 176.117 0.003 0.000 1.088 236 I CA 1.061 62.371 61.300 0.018 0.000 1.357 236 I CB -0.299 37.725 38.000 0.041 0.000 1.051 236 I HN 0.350 nan 8.210 nan 0.000 0.409 237 A N 1.721 124.541 122.820 -0.001 0.000 1.877 237 A HA -0.248 4.072 4.320 0.001 0.000 0.216 237 A C 2.333 179.894 177.584 -0.039 0.000 1.186 237 A CA 2.123 54.147 52.037 -0.023 0.000 0.620 237 A CB -0.735 18.258 19.000 -0.011 0.000 0.822 237 A HN 0.496 nan 8.150 nan 0.000 0.443 238 R N -0.071 120.420 120.500 -0.014 0.000 2.080 238 R HA -0.004 4.336 4.340 0.001 0.000 0.236 238 R C 2.245 178.537 176.300 -0.013 0.000 1.137 238 R CA 1.695 57.789 56.100 -0.009 0.000 0.943 238 R CB -0.989 29.319 30.300 0.013 0.000 0.846 238 R HN 0.312 nan 8.270 nan 0.000 0.431 239 A N 1.366 124.187 122.820 0.001 0.000 1.908 239 A HA -0.115 4.205 4.320 0.001 0.000 0.218 239 A C 2.501 180.074 177.584 -0.019 0.000 1.181 239 A CA 1.882 53.925 52.037 0.011 0.000 0.627 239 A CB -0.722 18.297 19.000 0.032 0.000 0.818 239 A HN 0.198 nan 8.150 nan 0.000 0.445 240 V N -0.448 119.431 119.914 -0.057 0.000 2.358 240 V HA -0.204 3.916 4.120 0.001 0.000 0.246 240 V C 2.565 178.525 176.094 -0.223 0.000 1.047 240 V CA 2.149 64.375 62.300 -0.124 0.000 1.035 240 V CB -0.718 31.009 31.823 -0.160 0.000 0.658 240 V HN 0.525 nan 8.190 nan 0.000 0.452 241 R N -1.327 119.042 120.500 -0.218 0.000 2.236 241 R HA -0.056 4.284 4.340 0.001 0.000 0.208 241 R C 2.066 178.335 176.300 -0.051 0.000 1.036 241 R CA 1.062 57.046 56.100 -0.192 0.000 1.001 241 R CB -0.331 29.897 30.300 -0.119 0.000 0.896 241 R HN 0.475 nan 8.270 nan 0.000 0.464 242 C N -0.972 118.309 119.300 -0.031 0.000 2.514 242 C HA 0.193 4.654 4.460 0.001 0.000 0.271 242 C C 1.413 176.412 174.990 0.015 0.000 1.399 242 C CA 0.829 59.848 59.018 0.001 0.000 1.765 242 C CB -0.087 27.656 27.740 0.005 0.000 1.893 242 C HN 0.774 nan 8.230 nan 0.000 0.531 243 G N 0.354 109.162 108.800 0.013 0.000 2.157 243 G HA2 -0.074 3.886 3.960 0.001 0.000 0.118 243 G HA3 -0.074 3.886 3.960 0.001 0.000 0.118 243 G C -0.004 174.932 174.900 0.060 0.000 1.032 243 G CA 0.159 45.288 45.100 0.047 0.000 0.697 243 G HN 0.846 nan 8.290 nan 0.000 0.495 244 V N -1.463 118.480 119.914 0.049 0.000 2.785 244 V HA 0.805 4.925 4.120 0.001 0.000 0.300 244 V C 1.273 177.427 176.094 0.100 0.000 1.062 244 V CA 0.281 62.630 62.300 0.082 0.000 1.029 244 V CB 1.714 33.581 31.823 0.074 0.000 1.024 244 V HN 0.339 nan 8.190 nan 0.000 0.477 245 R N 1.917 122.504 120.500 0.145 0.000 2.142 245 R HA 0.204 4.545 4.340 0.001 0.000 0.204 245 R C 0.874 177.265 176.300 0.151 0.000 1.059 245 R CA 0.944 57.123 56.100 0.133 0.000 1.055 245 R CB 0.209 30.544 30.300 0.060 0.000 0.976 245 R HN 0.973 nan 8.270 nan 0.000 0.483 246 T N -0.905 113.727 114.554 0.130 0.000 2.856 246 T HA 0.484 4.835 4.350 0.001 0.000 0.283 246 T C -0.342 174.411 174.700 0.088 0.000 1.008 246 T CA -0.879 61.286 62.100 0.109 0.000 0.997 246 T CB 1.616 70.505 68.868 0.034 0.000 0.992 246 T HN -0.101 nan 8.240 nan 0.000 0.454 247 I N 3.256 123.851 120.570 0.041 0.000 2.354 247 I HA 0.390 4.560 4.170 0.001 0.000 0.292 247 I C 0.235 176.318 176.117 -0.056 0.000 0.989 247 I CA -0.766 60.537 61.300 0.004 0.000 1.188 247 I CB 1.612 39.608 38.000 -0.007 0.000 1.342 247 I HN 0.753 nan 8.210 nan 0.000 0.457 248 E N 6.580 126.741 120.200 -0.066 0.000 2.266 248 E HA 0.298 4.648 4.350 0.001 0.000 0.277 248 E C 0.556 176.963 176.600 -0.322 0.000 1.018 248 E CA -0.279 55.969 56.400 -0.254 0.000 0.840 248 E CB 1.002 30.587 29.700 -0.193 0.000 1.082 248 E HN 0.534 nan 8.360 nan 0.000 0.395 249 H N 1.839 120.776 119.070 -0.222 0.000 1.919 249 H HA -0.291 4.266 4.556 0.000 0.000 0.090 249 H C 1.031 176.332 175.328 -0.044 0.000 0.609 249 H CA 1.449 57.414 56.048 -0.137 0.000 1.845 249 H CB -1.417 28.163 29.762 -0.303 0.000 2.174 249 H HN 0.853 nan 8.280 nan 0.000 0.951 250 G N 1.813 110.646 108.800 0.055 0.000 2.221 250 G HA2 -0.346 3.614 3.960 0.001 0.000 0.265 250 G HA3 -0.346 3.614 3.960 0.001 0.000 0.265 250 G C 0.590 175.649 174.900 0.264 0.000 1.041 250 G CA 1.133 46.328 45.100 0.158 0.000 0.807 250 G HN 0.626 nan 8.290 nan 0.000 0.502 251 N N -0.418 118.449 118.700 0.278 0.000 2.309 251 N HA 0.054 4.794 4.740 0.001 0.000 0.182 251 N C 1.456 177.002 175.510 0.060 0.000 1.018 251 N CA 1.031 54.180 53.050 0.166 0.000 0.876 251 N CB -0.027 38.505 38.487 0.074 0.000 0.972 251 N HN 0.578 nan 8.380 nan 0.000 0.434 252 L N 0.879 122.147 121.223 0.076 0.000 3.030 252 L HA 0.343 4.683 4.340 0.001 0.000 0.252 252 L C -0.570 176.292 176.870 -0.013 0.000 1.316 252 L CA -0.589 54.250 54.840 -0.001 0.000 0.975 252 L CB 0.189 42.239 42.059 -0.014 0.000 1.357 252 L HN -0.127 nan 8.230 nan 0.000 0.534 253 V N -2.403 117.479 119.914 -0.053 0.000 2.775 253 V HA 0.311 4.432 4.120 0.001 0.000 0.299 253 V C 0.054 176.077 176.094 -0.119 0.000 1.062 253 V CA -0.839 61.404 62.300 -0.096 0.000 1.063 253 V CB 0.849 32.526 31.823 -0.244 0.000 0.994 253 V HN 0.431 nan 8.190 nan 0.000 0.483 254 D N 1.982 122.331 120.400 -0.084 0.000 2.387 254 D HA 0.290 4.930 4.640 0.001 0.000 0.255 254 D C 0.974 177.220 176.300 -0.090 0.000 1.081 254 D CA -0.523 53.428 54.000 -0.082 0.000 0.994 254 D CB 0.729 41.500 40.800 -0.049 0.000 1.127 254 D HN 0.633 nan 8.370 nan 0.000 0.513 255 E N 0.334 120.487 120.200 -0.078 0.000 2.208 255 E HA -0.200 4.150 4.350 0.001 0.000 0.193 255 E C 1.804 178.386 176.600 -0.031 0.000 0.988 255 E CA 0.945 57.305 56.400 -0.067 0.000 0.828 255 E CB -0.594 29.070 29.700 -0.059 0.000 0.763 255 E HN 0.493 nan 8.360 nan 0.000 0.478 256 A N 2.234 125.041 122.820 -0.021 0.000 1.892 256 A HA -0.099 4.222 4.320 0.001 0.000 0.218 256 A C 2.555 180.146 177.584 0.012 0.000 1.188 256 A CA 2.638 54.674 52.037 -0.001 0.000 0.631 256 A CB -0.842 18.156 19.000 -0.003 0.000 0.822 256 A HN 0.422 nan 8.150 nan 0.000 0.447 257 A N -0.523 122.299 122.820 0.003 0.000 1.929 257 A HA 0.254 4.574 4.320 0.001 0.000 0.216 257 A C 2.494 180.108 177.584 0.050 0.000 1.176 257 A CA 1.849 53.898 52.037 0.020 0.000 0.628 257 A CB -0.959 18.049 19.000 0.015 0.000 0.816 257 A HN 1.075 nan 8.150 nan 0.000 0.444 258 A N 0.005 122.843 122.820 0.030 0.000 1.908 258 A HA -0.202 4.119 4.320 0.001 0.000 0.218 258 A C 2.148 179.793 177.584 0.102 0.000 1.181 258 A CA 2.023 54.102 52.037 0.071 0.000 0.627 258 A CB -0.481 18.500 19.000 -0.032 0.000 0.818 258 A HN 0.528 nan 8.150 nan 0.000 0.445 259 K N -0.890 119.551 120.400 0.070 0.000 2.057 259 K HA -0.140 4.180 4.320 0.001 0.000 0.207 259 K C 1.898 178.581 176.600 0.138 0.000 1.049 259 K CA 1.525 57.873 56.287 0.101 0.000 0.931 259 K CB -0.267 32.271 32.500 0.063 0.000 0.714 259 K HN 0.344 nan 8.250 nan 0.000 0.440 260 L N 1.179 122.468 121.223 0.109 0.000 2.093 260 L HA -0.104 4.236 4.340 0.001 0.000 0.208 260 L C 2.229 179.190 176.870 0.153 0.000 1.085 260 L CA 1.474 56.393 54.840 0.132 0.000 0.755 260 L CB -0.265 41.829 42.059 0.059 0.000 0.904 260 L HN 0.261 nan 8.230 nan 0.000 0.435 261 M N -1.635 118.032 119.600 0.111 0.000 2.067 261 M HA -0.266 4.214 4.480 0.001 0.000 0.260 261 M C 2.356 178.710 176.300 0.091 0.000 1.069 261 M CA 2.073 57.430 55.300 0.095 0.000 1.117 261 M CB -0.461 32.207 32.600 0.113 0.000 1.334 261 M HN 0.471 nan 8.290 nan 0.000 0.407 262 H N 0.229 119.318 119.070 0.032 0.000 2.289 262 H HA -0.186 4.370 4.556 0.000 0.000 0.296 262 H C 1.744 177.068 175.328 -0.007 0.000 1.091 262 H CA 2.506 58.548 56.048 -0.009 0.000 1.274 262 H CB -0.210 29.552 29.762 0.000 0.000 1.364 262 H HN 0.409 nan 8.280 nan 0.000 0.490 263 E N -1.011 119.112 120.200 -0.129 0.000 2.070 263 E HA -0.243 4.108 4.350 0.001 0.000 0.197 263 E C 1.980 178.472 176.600 -0.181 0.000 1.004 263 E CA 1.650 57.944 56.400 -0.177 0.000 0.805 263 E CB -0.132 29.570 29.700 0.004 0.000 0.744 263 E HN 0.685 nan 8.360 nan 0.000 0.451 264 H N -1.444 117.558 119.070 -0.114 0.000 2.547 264 H HA 0.112 4.668 4.556 0.000 0.000 0.272 264 H C 0.967 176.226 175.328 -0.114 0.000 0.989 264 H CA 0.931 56.928 56.048 -0.085 0.000 1.214 264 H CB 0.517 30.257 29.762 -0.037 0.000 1.389 264 H HN 0.324 nan 8.280 nan 0.000 0.577 265 G N -0.209 108.537 108.800 -0.090 0.000 2.212 265 G HA2 -0.164 3.797 3.960 0.001 0.000 0.255 265 G HA3 -0.164 3.797 3.960 0.001 0.000 0.255 265 G C 0.101 174.883 174.900 -0.197 0.000 1.062 265 G CA 0.156 45.141 45.100 -0.192 0.000 0.815 265 G HN 0.673 nan 8.290 nan 0.000 0.497 266 A N -0.567 122.182 122.820 -0.117 0.000 2.303 266 A HA 0.898 5.218 4.320 0.001 0.000 0.317 266 A C 0.017 177.519 177.584 -0.137 0.000 1.149 266 A CA -0.523 51.495 52.037 -0.032 0.000 0.822 266 A CB 0.824 19.847 19.000 0.038 0.000 1.131 266 A HN 0.591 nan 8.150 nan 0.000 0.493 267 F N 0.497 120.404 119.950 -0.071 0.000 2.408 267 F HA 0.592 5.120 4.527 0.000 0.000 0.325 267 F C 0.213 175.930 175.800 -0.139 0.000 1.082 267 F CA -0.669 57.270 58.000 -0.101 0.000 1.032 267 F CB 1.852 40.783 39.000 -0.116 0.000 1.259 267 F HN 0.297 nan 8.300 nan 0.000 0.503 268 V N 1.374 121.278 119.914 -0.017 0.000 2.656 268 V HA 0.478 4.598 4.120 0.001 0.000 0.307 268 V C -0.804 175.192 176.094 -0.164 0.000 1.051 268 V CA -0.872 61.304 62.300 -0.207 0.000 0.893 268 V CB 1.819 33.255 31.823 -0.645 0.000 0.999 268 V HN 0.479 nan 8.190 nan 0.000 0.426 269 V N 5.272 125.086 119.914 -0.168 0.000 2.276 269 V HA 0.332 4.453 4.120 0.001 0.000 0.268 269 V C -2.460 173.496 176.094 -0.230 0.000 1.032 269 V CA -1.672 60.531 62.300 -0.162 0.000 0.810 269 V CB 1.242 33.002 31.823 -0.105 0.000 1.060 269 V HN 0.730 nan 8.190 nan 0.000 0.446 270 P HA 0.205 nan 4.420 nan 0.000 0.269 270 P C 0.398 177.601 177.300 -0.163 0.000 1.215 270 P CA 0.234 63.268 63.100 -0.111 0.000 0.780 270 P CB 0.462 32.133 31.700 -0.049 0.000 0.898 271 T N -1.720 112.802 114.554 -0.054 0.000 3.741 271 T HA 0.282 4.632 4.350 0.001 0.000 0.242 271 T C 1.012 175.700 174.700 -0.019 0.000 1.042 271 T CA -0.417 61.609 62.100 -0.123 0.000 1.278 271 T CB -1.090 67.663 68.868 -0.191 0.000 0.994 271 T HN 0.071 nan 8.240 nan 0.000 0.594 272 L N 0.039 121.293 121.223 0.052 0.000 2.127 272 L HA -0.055 4.285 4.340 0.001 0.000 0.211 272 L C 2.687 179.612 176.870 0.092 0.000 1.089 272 L CA 0.875 55.831 54.840 0.193 0.000 0.757 272 L CB -0.599 41.523 42.059 0.105 0.000 0.899 272 L HN 0.386 nan 8.230 nan 0.000 0.434 273 V N -0.620 119.269 119.914 -0.043 0.000 2.594 273 V HA -0.287 3.833 4.120 0.001 0.000 0.253 273 V C 2.584 178.633 176.094 -0.075 0.000 1.069 273 V CA 2.389 64.665 62.300 -0.040 0.000 1.082 273 V CB -0.077 31.729 31.823 -0.028 0.000 0.680 273 V HN 0.532 nan 8.190 nan 0.000 0.469 274 T N -1.277 113.162 114.554 -0.191 0.000 2.915 274 T HA -0.153 4.198 4.350 0.001 0.000 0.269 274 T C 1.508 176.050 174.700 -0.264 0.000 1.071 274 T CA 1.763 63.710 62.100 -0.255 0.000 1.132 274 T CB -0.244 68.415 68.868 -0.348 0.000 0.878 274 T HN 0.689 nan 8.240 nan 0.000 0.479 275 Y N 1.208 121.520 120.300 0.021 0.000 2.314 275 Y HA 0.123 4.673 4.550 0.001 0.000 0.294 275 Y C 2.385 178.260 175.900 -0.041 0.000 1.119 275 Y CA 0.437 58.537 58.100 -0.001 0.000 1.179 275 Y CB -0.389 38.070 38.460 -0.001 0.000 1.025 275 Y HN 0.218 nan 8.280 nan 0.000 0.541 276 D N 0.049 120.489 120.400 0.066 0.000 2.117 276 D HA -0.138 4.502 4.640 0.001 0.000 0.198 276 D C 2.258 178.478 176.300 -0.133 0.000 0.982 276 D CA 1.435 55.410 54.000 -0.041 0.000 0.828 276 D CB -0.489 40.273 40.800 -0.063 0.000 0.967 276 D HN 0.312 nan 8.370 nan 0.000 0.464 277 A N 0.516 123.259 122.820 -0.128 0.000 1.898 277 A HA -0.064 4.256 4.320 0.001 0.000 0.216 277 A C 2.269 179.843 177.584 -0.017 0.000 1.181 277 A CA 0.783 52.750 52.037 -0.117 0.000 0.620 277 A CB -0.713 18.289 19.000 0.004 0.000 0.819 277 A HN 0.207 nan 8.150 nan 0.000 0.442 278 L N -0.807 120.423 121.223 0.013 0.000 2.376 278 L HA -0.067 4.273 4.340 0.001 0.000 0.219 278 L C 2.885 179.749 176.870 -0.011 0.000 1.133 278 L CA 0.506 55.370 54.840 0.040 0.000 0.816 278 L CB -0.426 41.675 42.059 0.070 0.000 0.933 278 L HN 0.446 nan 8.230 nan 0.000 0.449 279 A N 0.428 123.216 122.820 -0.053 0.000 1.841 279 A HA -0.198 4.122 4.320 0.001 0.000 0.214 279 A C 2.298 179.774 177.584 -0.180 0.000 1.195 279 A CA 1.587 53.570 52.037 -0.090 0.000 0.611 279 A CB -0.297 18.653 19.000 -0.083 0.000 0.835 279 A HN 0.147 nan 8.150 nan 0.000 0.443 280 K N -0.327 119.868 120.400 -0.341 0.000 1.985 280 K HA -0.077 4.243 4.320 0.001 0.000 0.210 280 K C 0.762 177.032 176.600 -0.550 0.000 1.047 280 K CA 1.647 57.574 56.287 -0.599 0.000 0.932 280 K CB -0.165 31.652 32.500 -1.137 0.000 0.716 280 K HN 0.688 nan 8.250 nan 0.000 0.439 281 H N -1.441 117.574 119.070 -0.091 0.000 2.502 281 H HA 0.322 4.878 4.556 0.001 0.000 0.268 281 H C 0.995 176.260 175.328 -0.104 0.000 1.177 281 H CA 0.149 56.075 56.048 -0.203 0.000 0.961 281 H CB 0.313 29.899 29.762 -0.293 0.000 1.737 281 H HN 0.275 nan 8.280 nan 0.000 0.569 282 G N 0.939 109.738 108.800 -0.001 0.000 2.607 282 G HA2 -0.081 3.880 3.960 0.001 0.000 0.215 282 G HA3 -0.081 3.880 3.960 0.001 0.000 0.215 282 G C 1.657 176.587 174.900 0.051 0.000 1.275 282 G CA 0.744 45.873 45.100 0.048 0.000 0.842 282 G HN 0.429 nan 8.290 nan 0.000 0.555 283 A N 0.173 123.001 122.820 0.014 0.000 2.121 283 A HA 0.048 4.368 4.320 0.001 0.000 0.218 283 A C 2.071 179.659 177.584 0.006 0.000 1.154 283 A CA 1.895 53.942 52.037 0.016 0.000 0.679 283 A CB -0.353 18.649 19.000 0.003 0.000 0.795 283 A HN 0.542 nan 8.150 nan 0.000 0.458 284 E N -1.269 118.904 120.200 -0.044 0.000 2.152 284 E HA -0.115 4.235 4.350 0.001 0.000 0.192 284 E C 0.317 176.865 176.600 -0.086 0.000 0.983 284 E CA 0.796 57.120 56.400 -0.127 0.000 0.818 284 E CB -0.070 29.470 29.700 -0.267 0.000 0.758 284 E HN 0.545 nan 8.360 nan 0.000 0.467 285 F N -0.377 119.616 119.950 0.072 0.000 2.639 285 F HA 0.338 4.866 4.527 0.000 0.000 0.300 285 F C 1.266 177.085 175.800 0.032 0.000 1.109 285 F CA 0.458 58.490 58.000 0.054 0.000 1.335 285 F CB 0.956 39.999 39.000 0.072 0.000 1.014 285 F HN 0.170 nan 8.300 nan 0.000 0.537 286 G N 0.516 109.426 108.800 0.185 0.000 2.144 286 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 286 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 286 G C 0.367 175.310 174.900 0.072 0.000 0.988 286 G CA -0.090 45.074 45.100 0.106 0.000 0.659 286 G HN 0.289 nan 8.290 nan 0.000 0.522 287 M N 2.275 121.925 119.600 0.083 0.000 2.146 287 M HA 0.431 4.911 4.480 0.001 0.000 0.357 287 M C -1.756 174.573 176.300 0.049 0.000 1.261 287 M CA -1.871 53.464 55.300 0.058 0.000 1.106 287 M CB 0.736 33.379 32.600 0.072 0.000 1.612 287 M HN -0.033 nan 8.290 nan 0.000 0.470 288 P HA -0.019 nan 4.420 nan 0.000 0.263 288 P C -2.454 174.868 177.300 0.038 0.000 1.168 288 P CA -0.601 62.523 63.100 0.039 0.000 0.759 288 P CB -0.366 31.361 31.700 0.046 0.000 0.782 289 P HA -0.168 nan 4.420 nan 0.000 0.219 289 P C 1.197 178.510 177.300 0.021 0.000 1.146 289 P CA 1.465 64.578 63.100 0.021 0.000 0.808 289 P CB -0.066 31.644 31.700 0.016 0.000 0.779 290 E N -1.258 118.957 120.200 0.026 0.000 2.479 290 E HA 0.087 4.437 4.350 0.001 0.000 0.193 290 E C 1.189 177.809 176.600 0.033 0.000 1.049 290 E CA 0.508 56.922 56.400 0.024 0.000 0.870 290 E CB -0.453 29.261 29.700 0.023 0.000 0.944 290 E HN 0.081 nan 8.360 nan 0.000 0.492 291 S N 0.397 116.125 115.700 0.046 0.000 2.439 291 S HA 0.005 4.475 4.470 0.001 0.000 0.224 291 S C 1.920 176.551 174.600 0.050 0.000 1.029 291 S CA 0.702 58.939 58.200 0.062 0.000 0.946 291 S CB 0.204 63.456 63.200 0.085 0.000 0.797 291 S HN 0.251 nan 8.310 nan 0.000 0.504 292 V N 1.864 121.801 119.914 0.039 0.000 2.809 292 V HA 0.009 4.129 4.120 0.001 0.000 0.256 292 V C 2.448 178.547 176.094 0.008 0.000 1.080 292 V CA 1.212 63.528 62.300 0.027 0.000 1.102 292 V CB -1.383 30.451 31.823 0.018 0.000 0.705 292 V HN 0.452 nan 8.190 nan 0.000 0.475 293 A N 0.278 123.101 122.820 0.004 0.000 1.933 293 A HA -0.176 4.144 4.320 0.001 0.000 0.218 293 A C 2.321 179.892 177.584 -0.023 0.000 1.175 293 A CA 1.769 53.800 52.037 -0.010 0.000 0.628 293 A CB -0.385 18.611 19.000 -0.007 0.000 0.814 293 A HN 0.515 nan 8.150 nan 0.000 0.444 294 K N -0.846 119.544 120.400 -0.017 0.000 2.418 294 K HA 0.116 4.436 4.320 0.001 0.000 0.195 294 K C 1.474 178.032 176.600 -0.070 0.000 1.035 294 K CA 0.561 56.820 56.287 -0.046 0.000 1.003 294 K CB 0.092 32.574 32.500 -0.029 0.000 0.793 294 K HN 0.276 nan 8.250 nan 0.000 0.494 295 V N 0.528 120.427 119.914 -0.025 0.000 2.951 295 V HA -0.032 4.088 4.120 0.001 0.000 0.255 295 V C 1.882 177.943 176.094 -0.054 0.000 1.088 295 V CA 1.232 63.531 62.300 -0.003 0.000 1.109 295 V CB 0.080 31.951 31.823 0.080 0.000 0.724 295 V HN 0.282 nan 8.190 nan 0.000 0.471 296 A N 0.332 123.115 122.820 -0.062 0.000 1.972 296 A HA -0.180 4.141 4.320 0.001 0.000 0.219 296 A C 2.499 180.018 177.584 -0.110 0.000 1.169 296 A CA 2.286 54.280 52.037 -0.072 0.000 0.635 296 A CB -0.597 18.368 19.000 -0.058 0.000 0.810 296 A HN 0.771 nan 8.150 nan 0.000 0.446 297 S N -0.459 115.156 115.700 -0.143 0.000 2.458 297 S HA -0.030 4.440 4.470 0.001 0.000 0.223 297 S C 1.621 176.081 174.600 -0.234 0.000 1.019 297 S CA 1.026 59.127 58.200 -0.166 0.000 0.937 297 S CB -0.716 62.390 63.200 -0.158 0.000 0.788 297 S HN 0.647 nan 8.310 nan 0.000 0.511 298 V N 1.348 121.058 119.914 -0.341 0.000 2.788 298 V HA -0.032 4.088 4.120 0.001 0.000 0.251 298 V C 2.516 178.323 176.094 -0.478 0.000 1.068 298 V CA 1.046 63.047 62.300 -0.498 0.000 1.090 298 V CB -1.512 29.821 31.823 -0.816 0.000 0.710 298 V HN 0.668 nan 8.190 nan 0.000 0.467 299 Q N 0.087 119.666 119.800 -0.368 0.000 2.331 299 Q HA -0.056 4.285 4.340 0.001 0.000 0.203 299 Q C 2.003 177.923 176.000 -0.133 0.000 0.944 299 Q CA 0.681 56.347 55.803 -0.228 0.000 0.892 299 Q CB -0.378 28.308 28.738 -0.086 0.000 0.983 299 Q HN 0.567 nan 8.270 nan 0.000 0.482 300 Q N 1.970 121.690 119.800 -0.134 0.000 1.921 300 Q HA -0.155 4.186 4.340 0.001 0.000 0.208 300 Q C 1.680 177.629 176.000 -0.085 0.000 0.994 300 Q CA 1.628 57.374 55.803 -0.095 0.000 0.857 300 Q CB -0.473 28.207 28.738 -0.096 0.000 0.925 300 Q HN 0.260 nan 8.270 nan 0.000 0.421 301 K N 0.614 120.955 120.400 -0.099 0.000 2.574 301 K HA -0.018 4.302 4.320 0.001 0.000 0.193 301 K C 1.809 178.369 176.600 -0.065 0.000 1.035 301 K CA 0.665 56.903 56.287 -0.081 0.000 0.982 301 K CB -0.622 31.825 32.500 -0.088 0.000 0.795 301 K HN 0.421 nan 8.250 nan 0.000 0.491 302 G N 0.385 109.141 108.800 -0.073 0.000 2.433 302 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 302 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 302 G C 1.510 176.418 174.900 0.015 0.000 1.186 302 G CA 0.506 45.587 45.100 -0.033 0.000 0.779 302 G HN 0.234 nan 8.290 nan 0.000 0.543 303 R N 0.059 120.561 120.500 0.004 0.000 2.091 303 R HA -0.032 4.308 4.340 0.001 0.000 0.238 303 R C 2.524 178.827 176.300 0.006 0.000 1.136 303 R CA 1.490 57.598 56.100 0.014 0.000 0.959 303 R CB -0.295 30.008 30.300 0.005 0.000 0.856 303 R HN 0.510 nan 8.270 nan 0.000 0.437 304 E N 0.067 120.257 120.200 -0.017 0.000 2.110 304 E HA -0.199 4.151 4.350 0.001 0.000 0.193 304 E C 1.781 178.350 176.600 -0.051 0.000 0.988 304 E CA 1.619 57.998 56.400 -0.034 0.000 0.804 304 E CB 0.062 29.733 29.700 -0.049 0.000 0.745 304 E HN 0.396 nan 8.360 nan 0.000 0.458 305 S N 0.380 116.048 115.700 -0.052 0.000 2.382 305 S HA -0.175 4.296 4.470 0.001 0.000 0.228 305 S C 2.002 176.566 174.600 -0.061 0.000 1.027 305 S CA 0.767 58.893 58.200 -0.125 0.000 0.991 305 S CB -0.398 62.776 63.200 -0.044 0.000 0.823 305 S HN 0.162 nan 8.310 nan 0.000 0.469 306 L N 2.050 123.332 121.223 0.098 0.000 2.043 306 L HA -0.080 4.260 4.340 0.001 0.000 0.212 306 L C 2.720 179.652 176.870 0.104 0.000 1.075 306 L CA 1.788 56.731 54.840 0.173 0.000 0.752 306 L CB -1.192 40.930 42.059 0.106 0.000 0.891 306 L HN 0.424 nan 8.230 nan 0.000 0.432 307 E N -0.750 119.465 120.200 0.026 0.000 2.051 307 E HA -0.204 4.146 4.350 0.001 0.000 0.192 307 E C 2.312 178.895 176.600 -0.028 0.000 0.991 307 E CA 1.245 57.647 56.400 0.002 0.000 0.799 307 E CB -0.144 29.547 29.700 -0.015 0.000 0.748 307 E HN 0.440 nan 8.360 nan 0.000 0.449 308 I N 0.314 120.824 120.570 -0.100 0.000 2.194 308 I HA -0.312 3.858 4.170 0.001 0.000 0.246 308 I C 2.055 178.090 176.117 -0.136 0.000 1.093 308 I CA 1.279 62.479 61.300 -0.167 0.000 1.355 308 I CB -0.403 37.421 38.000 -0.294 0.000 1.046 308 I HN 0.165 nan 8.210 nan 0.000 0.413 309 Y N 0.877 121.169 120.300 -0.013 0.000 2.181 309 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 309 Y C 2.678 178.565 175.900 -0.023 0.000 1.146 309 Y CA 1.094 59.186 58.100 -0.012 0.000 1.164 309 Y CB -0.949 37.509 38.460 -0.002 0.000 0.982 309 Y HN 0.114 nan 8.280 nan 0.000 0.515 310 A N 0.232 123.132 122.820 0.134 0.000 1.898 310 A HA -0.182 4.138 4.320 0.001 0.000 0.216 310 A C 2.114 179.703 177.584 0.008 0.000 1.181 310 A CA 1.735 53.809 52.037 0.061 0.000 0.620 310 A CB -0.651 18.380 19.000 0.051 0.000 0.819 310 A HN 0.400 nan 8.150 nan 0.000 0.442 311 N N 0.619 119.314 118.700 -0.009 0.000 2.120 311 N HA -0.110 4.630 4.740 0.001 0.000 0.188 311 N C 1.741 177.208 175.510 -0.070 0.000 1.024 311 N CA 1.687 54.714 53.050 -0.040 0.000 0.852 311 N CB -0.552 37.909 38.487 -0.044 0.000 1.003 311 N HN 0.457 nan 8.380 nan 0.000 0.424 312 A N -0.179 122.604 122.820 -0.061 0.000 2.167 312 A HA 0.313 4.633 4.320 0.001 0.000 0.214 312 A C 1.274 178.710 177.584 -0.246 0.000 1.151 312 A CA 0.990 52.965 52.037 -0.103 0.000 0.735 312 A CB -0.485 18.506 19.000 -0.014 0.000 0.802 312 A HN 0.367 nan 8.150 nan 0.000 0.467 313 G N -0.982 107.728 108.800 -0.149 0.000 2.291 313 G HA2 -0.111 3.849 3.960 0.001 0.000 0.271 313 G HA3 -0.111 3.849 3.960 0.001 0.000 0.271 313 G C -0.172 174.731 174.900 0.006 0.000 1.099 313 G CA 0.043 45.048 45.100 -0.158 0.000 0.919 313 G HN 0.859 nan 8.290 nan 0.000 0.496 314 V N 0.151 120.102 119.914 0.063 0.000 2.370 314 V HA 0.390 4.510 4.120 0.001 0.000 0.279 314 V C 0.886 176.971 176.094 -0.015 0.000 1.029 314 V CA -0.973 61.364 62.300 0.061 0.000 0.870 314 V CB 1.491 33.396 31.823 0.137 0.000 0.984 314 V HN 0.410 nan 8.190 nan 0.000 0.451 315 K N 4.884 125.226 120.400 -0.097 0.000 2.484 315 K HA 0.236 4.556 4.320 0.001 0.000 0.280 315 K C -0.318 176.278 176.600 -0.006 0.000 1.013 315 K CA 0.853 57.105 56.287 -0.058 0.000 1.029 315 K CB 0.185 32.603 32.500 -0.137 0.000 0.902 315 K HN 0.590 nan 8.250 nan 0.000 0.481 316 M N 2.254 121.869 119.600 0.025 0.000 2.190 316 M HA 0.304 4.784 4.480 0.001 0.000 0.312 316 M C 0.288 176.617 176.300 0.048 0.000 0.990 316 M CA -0.642 54.648 55.300 -0.015 0.000 0.927 316 M CB 2.159 34.736 32.600 -0.040 0.000 1.571 316 M HN 0.724 nan 8.290 nan 0.000 0.427 317 G N 1.658 110.481 108.800 0.038 0.000 2.477 317 G HA2 0.532 4.492 3.960 0.001 0.000 0.304 317 G HA3 0.532 4.492 3.960 0.001 0.000 0.304 317 G C -1.359 173.578 174.900 0.061 0.000 1.175 317 G CA -0.479 44.661 45.100 0.067 0.000 0.907 317 G HN 0.617 nan 8.290 nan 0.000 0.509 318 F N 0.655 120.583 119.950 -0.036 0.000 2.443 318 F HA 0.540 5.067 4.527 0.001 0.000 0.353 318 F C 0.645 176.405 175.800 -0.066 0.000 1.101 318 F CA 0.500 58.451 58.000 -0.081 0.000 1.226 318 F CB 1.041 39.983 39.000 -0.096 0.000 1.140 318 F HN 0.552 nan 8.300 nan 0.000 0.557 319 G N 2.837 111.371 108.800 -0.443 0.000 2.746 319 G HA2 0.401 4.361 3.960 0.001 0.000 0.297 319 G HA3 0.401 4.361 3.960 0.001 0.000 0.297 319 G C -0.713 173.958 174.900 -0.382 0.000 1.426 319 G CA -0.086 44.870 45.100 -0.240 0.000 0.989 319 G HN 0.824 nan 8.290 nan 0.000 0.520 320 S N 0.431 116.037 115.700 -0.157 0.000 2.694 320 S HA 0.203 4.673 4.470 0.001 0.000 0.225 320 S C 0.880 175.447 174.600 -0.056 0.000 1.012 320 S CA 1.447 59.572 58.200 -0.124 0.000 0.896 320 S CB 0.102 63.280 63.200 -0.036 0.000 0.838 320 S HN 1.049 nan 8.310 nan 0.000 0.604 321 D N 0.314 120.757 120.400 0.072 0.000 2.835 321 D HA -0.106 4.535 4.640 0.001 0.000 0.230 321 D C -0.896 175.439 176.300 0.059 0.000 1.130 321 D CA 0.420 54.546 54.000 0.210 0.000 0.738 321 D CB -2.063 38.877 40.800 0.233 0.000 1.090 321 D HN 0.546 nan 8.370 nan 0.000 0.433 322 L N 0.114 121.288 121.223 -0.081 0.000 2.350 322 L HA 0.500 4.841 4.340 0.001 0.000 0.275 322 L C 0.714 177.311 176.870 -0.456 0.000 1.099 322 L CA -0.583 54.120 54.840 -0.228 0.000 0.808 322 L CB 0.954 42.882 42.059 -0.218 0.000 1.149 322 L HN 0.025 nan 8.230 nan 0.000 0.442 323 L N 1.939 123.005 121.223 -0.262 0.000 2.342 323 L HA 0.754 5.094 4.340 0.001 0.000 0.271 323 L C 0.890 177.692 176.870 -0.113 0.000 1.008 323 L CA -0.546 54.187 54.840 -0.178 0.000 0.818 323 L CB 1.462 43.481 42.059 -0.067 0.000 1.296 323 L HN 0.834 nan 8.230 nan 0.000 0.427 324 G N 1.786 110.587 108.800 0.002 0.000 2.574 324 G HA2 -0.294 3.666 3.960 0.001 0.000 0.286 324 G HA3 -0.294 3.666 3.960 0.001 0.000 0.286 324 G C 0.680 175.555 174.900 -0.043 0.000 1.212 324 G CA 0.464 45.550 45.100 -0.023 0.000 0.979 324 G HN 0.847 nan 8.290 nan 0.000 0.557 325 E N 0.459 120.485 120.200 -0.290 0.000 2.427 325 E HA 0.060 4.410 4.350 0.001 0.000 0.196 325 E C 2.442 178.912 176.600 -0.217 0.000 1.028 325 E CA 1.019 57.215 56.400 -0.339 0.000 0.864 325 E CB -0.150 29.167 29.700 -0.638 0.000 0.813 325 E HN 0.659 nan 8.360 nan 0.000 0.514 326 M N 0.570 120.125 119.600 -0.074 0.000 2.700 326 M HA -0.018 4.462 4.480 0.001 0.000 0.249 326 M C 1.252 177.632 176.300 0.132 0.000 1.082 326 M CA 0.616 56.055 55.300 0.231 0.000 1.077 326 M CB -0.462 32.339 32.600 0.336 0.000 1.477 326 M HN 0.158 nan 8.290 nan 0.000 0.529 327 H N -0.396 118.666 119.070 -0.014 0.000 2.491 327 H HA -0.004 4.552 4.556 0.001 0.000 0.290 327 H C 2.056 177.353 175.328 -0.051 0.000 1.050 327 H CA 1.186 57.226 56.048 -0.014 0.000 1.309 327 H CB 0.330 30.067 29.762 -0.042 0.000 1.392 327 H HN 0.455 nan 8.280 nan 0.000 0.554 328 A N -0.088 122.680 122.820 -0.087 0.000 2.066 328 A HA -0.093 4.227 4.320 0.001 0.000 0.218 328 A C 1.327 178.810 177.584 -0.168 0.000 1.157 328 A CA 0.699 52.613 52.037 -0.205 0.000 0.670 328 A CB -0.600 18.155 19.000 -0.408 0.000 0.804 328 A HN 0.399 nan 8.150 nan 0.000 0.453 329 F N -0.138 119.887 119.950 0.124 0.000 2.769 329 F HA 0.053 4.580 4.527 0.001 0.000 0.304 329 F C 2.121 178.009 175.800 0.147 0.000 1.158 329 F CA 0.462 58.540 58.000 0.131 0.000 1.398 329 F CB -0.122 38.950 39.000 0.119 0.000 1.094 329 F HN 0.342 nan 8.300 nan 0.000 0.553 330 Q N 0.370 120.332 119.800 0.270 0.000 2.112 330 Q HA -0.218 4.122 4.340 0.001 0.000 0.206 330 Q C 2.005 178.235 176.000 0.384 0.000 0.987 330 Q CA 2.157 58.110 55.803 0.250 0.000 0.858 330 Q CB -0.067 28.773 28.738 0.170 0.000 0.905 330 Q HN 0.311 nan 8.270 nan 0.000 0.420 331 S N -0.551 115.422 115.700 0.456 0.000 2.489 331 S HA -0.001 4.470 4.470 0.001 0.000 0.228 331 S C 1.600 176.507 174.600 0.511 0.000 0.995 331 S CA 0.562 59.115 58.200 0.589 0.000 0.934 331 S CB 0.035 63.525 63.200 0.482 0.000 0.771 331 S HN 0.633 nan 8.310 nan 0.000 0.522 332 G N 1.523 110.544 108.800 0.368 0.000 2.470 332 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 332 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 332 G C 1.209 176.238 174.900 0.214 0.000 1.121 332 G CA 0.908 46.175 45.100 0.279 0.000 0.766 332 G HN 0.528 nan 8.290 nan 0.000 0.553 333 E N 0.145 120.442 120.200 0.161 0.000 2.153 333 E HA -0.099 4.251 4.350 0.001 0.000 0.194 333 E C 1.895 178.514 176.600 0.032 0.000 0.988 333 E CA 0.636 56.997 56.400 -0.065 0.000 0.811 333 E CB -0.398 28.996 29.700 -0.510 0.000 0.746 333 E HN 0.383 nan 8.360 nan 0.000 0.466 334 F N 0.786 120.923 119.950 0.311 0.000 2.091 334 F HA -0.161 4.366 4.527 0.001 0.000 0.299 334 F C 2.575 178.445 175.800 0.116 0.000 1.103 334 F CA 1.677 59.823 58.000 0.243 0.000 1.228 334 F CB -0.468 38.626 39.000 0.158 0.000 0.984 334 F HN 0.040 nan 8.300 nan 0.000 0.477 335 R N 0.412 121.096 120.500 0.307 0.000 2.070 335 R HA -0.151 4.190 4.340 0.001 0.000 0.233 335 R C 2.322 178.698 176.300 0.126 0.000 1.137 335 R CA 1.810 58.019 56.100 0.181 0.000 0.945 335 R CB -0.651 29.741 30.300 0.153 0.000 0.845 335 R HN 0.269 nan 8.270 nan 0.000 0.430 336 I N 0.209 120.840 120.570 0.102 0.000 2.208 336 I HA -0.315 3.855 4.170 0.001 0.000 0.245 336 I C 2.485 178.637 176.117 0.058 0.000 1.097 336 I CA 1.502 62.839 61.300 0.062 0.000 1.363 336 I CB -0.234 37.787 38.000 0.036 0.000 1.051 336 I HN 0.174 nan 8.210 nan 0.000 0.413 337 R N 0.428 120.969 120.500 0.068 0.000 2.119 337 R HA 0.011 4.352 4.340 0.001 0.000 0.222 337 R C 2.466 178.820 176.300 0.090 0.000 1.088 337 R CA 1.101 57.242 56.100 0.068 0.000 0.984 337 R CB -0.312 30.025 30.300 0.062 0.000 0.884 337 R HN 0.342 nan 8.270 nan 0.000 0.447 338 A N 1.241 124.131 122.820 0.117 0.000 1.972 338 A HA -0.188 4.132 4.320 0.001 0.000 0.219 338 A C 1.783 179.408 177.584 0.069 0.000 1.169 338 A CA 1.325 53.421 52.037 0.100 0.000 0.635 338 A CB -0.264 18.801 19.000 0.108 0.000 0.810 338 A HN 0.295 nan 8.150 nan 0.000 0.446 339 E N -0.663 119.575 120.200 0.063 0.000 2.204 339 E HA -0.095 4.255 4.350 0.001 0.000 0.195 339 E C 1.760 178.383 176.600 0.038 0.000 0.990 339 E CA 1.299 57.727 56.400 0.046 0.000 0.821 339 E CB -0.042 29.684 29.700 0.042 0.000 0.750 339 E HN 0.492 nan 8.360 nan 0.000 0.477 340 V N 0.351 120.290 119.914 0.042 0.000 2.690 340 V HA 0.056 4.176 4.120 0.001 0.000 0.240 340 V C 0.931 177.047 176.094 0.037 0.000 1.078 340 V CA 0.554 62.876 62.300 0.036 0.000 1.102 340 V CB -0.015 31.830 31.823 0.037 0.000 0.800 340 V HN 0.052 nan 8.190 nan 0.000 0.479 341 L N -0.189 121.063 121.223 0.047 0.000 2.332 341 L HA 0.758 5.098 4.340 0.001 0.000 0.269 341 L C 0.788 177.688 176.870 0.050 0.000 1.016 341 L CA -0.548 54.321 54.840 0.047 0.000 0.809 341 L CB 0.482 42.574 42.059 0.056 0.000 1.280 341 L HN 0.190 nan 8.230 nan 0.000 0.447 342 G N -0.018 108.809 108.800 0.044 0.000 2.554 342 G HA2 0.023 3.983 3.960 0.001 0.000 0.238 342 G HA3 0.023 3.983 3.960 0.001 0.000 0.238 342 G C 0.647 175.580 174.900 0.055 0.000 1.259 342 G CA -0.419 44.706 45.100 0.042 0.000 0.843 342 G HN 0.866 nan 8.290 nan 0.000 0.582 343 N N 1.298 120.029 118.700 0.050 0.000 2.609 343 N HA -0.100 4.640 4.740 0.001 0.000 0.190 343 N C 1.760 177.300 175.510 0.051 0.000 1.157 343 N CA 0.200 53.285 53.050 0.059 0.000 0.918 343 N CB -0.063 38.448 38.487 0.041 0.000 0.978 343 N HN 0.432 nan 8.380 nan 0.000 0.448 344 L N 0.047 121.296 121.223 0.043 0.000 2.027 344 L HA -0.128 4.213 4.340 0.001 0.000 0.206 344 L C 2.300 179.210 176.870 0.066 0.000 1.074 344 L CA 1.728 56.593 54.840 0.042 0.000 0.745 344 L CB -0.190 41.888 42.059 0.033 0.000 0.898 344 L HN 0.114 nan 8.230 nan 0.000 0.433 345 E N 0.308 120.551 120.200 0.072 0.000 2.051 345 E HA -0.197 4.153 4.350 0.001 0.000 0.192 345 E C 2.035 178.711 176.600 0.127 0.000 0.991 345 E CA 1.639 58.091 56.400 0.086 0.000 0.799 345 E CB -0.223 29.520 29.700 0.073 0.000 0.748 345 E HN 0.482 nan 8.360 nan 0.000 0.449 346 A N 0.418 123.329 122.820 0.152 0.000 1.917 346 A HA -0.185 4.135 4.320 0.001 0.000 0.219 346 A C 2.368 180.160 177.584 0.347 0.000 1.182 346 A CA 1.670 53.857 52.037 0.249 0.000 0.633 346 A CB -0.766 18.404 19.000 0.284 0.000 0.819 346 A HN 0.338 nan 8.150 nan 0.000 0.448 347 L N -1.509 119.852 121.223 0.231 0.000 2.072 347 L HA -0.117 4.224 4.340 0.001 0.000 0.205 347 L C 2.824 179.799 176.870 0.175 0.000 1.079 347 L CA 0.979 55.931 54.840 0.186 0.000 0.752 347 L CB -0.501 41.581 42.059 0.038 0.000 0.906 347 L HN 0.328 nan 8.230 nan 0.000 0.436 348 R N 0.115 120.696 120.500 0.136 0.000 2.117 348 R HA -0.186 4.155 4.340 0.001 0.000 0.243 348 R C 2.573 178.957 176.300 0.140 0.000 1.143 348 R CA 1.817 57.989 56.100 0.119 0.000 0.968 348 R CB -0.541 29.816 30.300 0.094 0.000 0.863 348 R HN 0.491 nan 8.270 nan 0.000 0.444 349 S N 0.096 115.897 115.700 0.169 0.000 2.419 349 S HA -0.058 4.412 4.470 0.001 0.000 0.233 349 S C 1.822 176.546 174.600 0.208 0.000 1.016 349 S CA 1.086 59.393 58.200 0.178 0.000 0.974 349 S CB 0.132 63.443 63.200 0.185 0.000 0.786 349 S HN 0.344 nan 8.310 nan 0.000 0.492 350 A N 0.607 123.549 122.820 0.203 0.000 2.308 350 A HA 0.429 4.749 4.320 0.001 0.000 0.217 350 A C 1.692 179.376 177.584 0.168 0.000 1.216 350 A CA 0.667 52.783 52.037 0.131 0.000 0.864 350 A CB -0.261 18.672 19.000 -0.111 0.000 0.902 350 A HN 0.744 nan 8.150 nan 0.000 0.499 351 T N -4.639 110.007 114.554 0.154 0.000 3.349 351 T HA 0.024 4.374 4.350 0.001 0.000 0.169 351 T C 1.921 176.678 174.700 0.095 0.000 0.938 351 T CA 1.227 63.408 62.100 0.134 0.000 1.017 351 T CB -0.887 68.063 68.868 0.136 0.000 1.476 351 T HN 0.281 nan 8.240 nan 0.000 0.327 352 T N 1.227 115.833 114.554 0.087 0.000 2.708 352 T HA -0.065 4.285 4.350 0.001 0.000 0.266 352 T C 2.050 176.793 174.700 0.073 0.000 1.037 352 T CA 1.659 63.801 62.100 0.071 0.000 1.146 352 T CB -1.186 67.723 68.868 0.067 0.000 0.865 352 T HN 0.228 nan 8.240 nan 0.000 0.435 353 V N 2.130 122.099 119.914 0.093 0.000 2.488 353 V HA 0.083 4.203 4.120 0.001 0.000 0.246 353 V C 3.270 179.396 176.094 0.054 0.000 1.046 353 V CA 1.199 63.569 62.300 0.117 0.000 1.053 353 V CB -1.449 30.460 31.823 0.143 0.000 0.679 353 V HN 0.675 nan 8.190 nan 0.000 0.458 354 A N 0.589 123.439 122.820 0.050 0.000 1.865 354 A HA -0.172 4.148 4.320 0.001 0.000 0.217 354 A C 2.464 180.009 177.584 -0.065 0.000 1.191 354 A CA 2.291 54.330 52.037 0.004 0.000 0.623 354 A CB -0.996 18.051 19.000 0.078 0.000 0.826 354 A HN 0.576 nan 8.150 nan 0.000 0.444 355 A N -0.593 122.216 122.820 -0.018 0.000 1.948 355 A HA -0.239 4.081 4.320 0.001 0.000 0.220 355 A C 2.030 179.554 177.584 -0.100 0.000 1.177 355 A CA 2.023 54.035 52.037 -0.041 0.000 0.636 355 A CB -0.549 18.457 19.000 0.010 0.000 0.815 355 A HN 0.718 nan 8.150 nan 0.000 0.449 356 E N -0.373 119.772 120.200 -0.092 0.000 2.072 356 E HA -0.132 4.218 4.350 0.001 0.000 0.191 356 E C 1.873 178.240 176.600 -0.388 0.000 0.985 356 E CA 0.962 57.283 56.400 -0.131 0.000 0.801 356 E CB -0.211 29.504 29.700 0.025 0.000 0.750 356 E HN 0.654 nan 8.360 nan 0.000 0.452 357 I N 0.980 121.215 120.570 -0.559 0.000 2.151 357 I HA -0.264 3.906 4.170 0.001 0.000 0.243 357 I C 2.231 178.001 176.117 -0.577 0.000 1.080 357 I CA 1.395 62.207 61.300 -0.814 0.000 1.339 357 I CB -0.169 37.476 38.000 -0.591 0.000 1.039 357 I HN 0.183 nan 8.210 nan 0.000 0.409 358 V N -1.851 117.813 119.914 -0.417 0.000 3.620 358 V HA 0.194 4.314 4.120 0.001 0.000 0.286 358 V C 0.574 176.475 176.094 -0.322 0.000 1.288 358 V CA 0.029 62.053 62.300 -0.461 0.000 1.178 358 V CB -0.943 30.335 31.823 -0.908 0.000 0.986 358 V HN 0.604 nan 8.190 nan 0.000 0.431 359 N N 0.642 119.200 118.700 -0.236 0.000 2.776 359 N HA -0.155 4.585 4.740 0.001 0.000 0.249 359 N C 0.272 175.750 175.510 -0.054 0.000 1.111 359 N CA 1.353 54.333 53.050 -0.117 0.000 0.711 359 N CB -0.999 37.461 38.487 -0.045 0.000 1.065 359 N HN 0.547 nan 8.380 nan 0.000 0.556 360 M N 0.315 119.878 119.600 -0.063 0.000 2.876 360 M HA 0.061 4.542 4.480 0.001 0.000 0.367 360 M C 0.419 176.723 176.300 0.005 0.000 1.242 360 M CA -0.136 55.166 55.300 0.002 0.000 0.889 360 M CB 0.390 33.016 32.600 0.043 0.000 1.353 360 M HN 0.046 nan 8.290 nan 0.000 0.511 361 Q N 0.628 120.425 119.800 -0.005 0.000 2.247 361 Q HA 0.285 4.625 4.340 0.001 0.000 0.288 361 Q C 0.905 176.918 176.000 0.021 0.000 1.079 361 Q CA 1.356 57.166 55.803 0.010 0.000 0.932 361 Q CB 0.208 28.953 28.738 0.013 0.000 1.133 361 Q HN 0.692 nan 8.270 nan 0.000 0.377 362 G N 2.891 111.705 108.800 0.025 0.000 2.320 362 G HA2 -0.380 3.580 3.960 0.001 0.000 0.242 362 G HA3 -0.380 3.580 3.960 0.001 0.000 0.242 362 G C 0.895 175.813 174.900 0.029 0.000 1.033 362 G CA 0.498 45.613 45.100 0.026 0.000 0.620 362 G HN 0.531 nan 8.290 nan 0.000 0.517 363 Q N -0.009 119.811 119.800 0.034 0.000 2.089 363 Q HA 0.511 4.851 4.340 0.001 0.000 0.195 363 Q C 1.503 177.532 176.000 0.048 0.000 0.963 363 Q CA 1.172 57.001 55.803 0.043 0.000 0.834 363 Q CB 0.037 28.809 28.738 0.056 0.000 0.906 363 Q HN 0.680 nan 8.270 nan 0.000 0.452 364 L N -2.984 118.271 121.223 0.053 0.000 2.256 364 L HA 0.594 4.934 4.340 0.001 0.000 0.261 364 L C 0.832 177.731 176.870 0.048 0.000 1.022 364 L CA -0.522 54.352 54.840 0.057 0.000 0.828 364 L CB 1.537 43.649 42.059 0.089 0.000 1.374 364 L HN 0.327 nan 8.230 nan 0.000 0.436 365 G N 0.237 109.069 108.800 0.053 0.000 2.166 365 G HA2 -0.222 3.738 3.960 0.001 0.000 0.260 365 G HA3 -0.222 3.738 3.960 0.001 0.000 0.260 365 G C -0.411 174.518 174.900 0.049 0.000 0.986 365 G CA 0.450 45.586 45.100 0.060 0.000 0.683 365 G HN 0.451 nan 8.290 nan 0.000 0.527 366 V N 0.617 120.553 119.914 0.035 0.000 2.808 366 V HA 0.613 4.733 4.120 0.001 0.000 0.308 366 V C -0.182 175.923 176.094 0.018 0.000 1.099 366 V CA -1.158 61.158 62.300 0.028 0.000 0.920 366 V CB 1.758 33.598 31.823 0.028 0.000 1.014 366 V HN 0.295 nan 8.190 nan 0.000 0.425 367 I N 6.505 127.082 120.570 0.012 0.000 2.294 367 I HA 0.672 4.842 4.170 0.001 0.000 0.295 367 I C 0.385 176.510 176.117 0.013 0.000 1.098 367 I CA 0.333 61.638 61.300 0.008 0.000 1.277 367 I CB 0.611 38.611 38.000 0.000 0.000 1.434 367 I HN 0.761 nan 8.210 nan 0.000 0.498 368 A N 5.218 128.048 122.820 0.017 0.000 2.602 368 A HA 0.671 4.991 4.320 0.001 0.000 0.290 368 A C -0.885 176.711 177.584 0.020 0.000 1.114 368 A CA -0.559 51.490 52.037 0.020 0.000 0.683 368 A CB 1.334 20.346 19.000 0.020 0.000 1.281 368 A HN 0.196 nan 8.150 nan 0.000 0.416 369 V N 1.299 121.226 119.914 0.022 0.000 2.521 369 V HA 0.478 4.598 4.120 0.001 0.000 0.286 369 V C 1.463 177.567 176.094 0.017 0.000 1.034 369 V CA 1.883 64.195 62.300 0.019 0.000 1.045 369 V CB 0.210 32.045 31.823 0.020 0.000 0.974 369 V HN 2.290 nan 8.190 nan 0.000 0.480 370 G N 3.824 112.633 108.800 0.015 0.000 2.259 370 G HA2 -0.093 3.867 3.960 0.001 0.000 0.217 370 G HA3 -0.093 3.867 3.960 0.001 0.000 0.217 370 G C 0.468 175.378 174.900 0.016 0.000 1.001 370 G CA 0.138 45.247 45.100 0.015 0.000 0.627 370 G HN 1.365 nan 8.290 nan 0.000 0.501 371 A N 0.506 123.337 122.820 0.017 0.000 2.366 371 A HA 0.697 5.017 4.320 0.001 0.000 0.249 371 A C 0.707 178.300 177.584 0.016 0.000 1.084 371 A CA -0.010 52.038 52.037 0.019 0.000 0.794 371 A CB 0.183 19.194 19.000 0.019 0.000 1.034 371 A HN 0.816 nan 8.150 nan 0.000 0.491 372 I N 0.802 121.383 120.570 0.019 0.000 2.634 372 I HA 0.174 4.344 4.170 0.001 0.000 0.284 372 I C 1.121 177.240 176.117 0.004 0.000 1.124 372 I CA 0.143 61.451 61.300 0.014 0.000 1.417 372 I CB 1.097 39.110 38.000 0.022 0.000 1.396 372 I HN 0.667 nan 8.210 nan 0.000 0.571 373 A N 5.016 127.833 122.820 -0.005 0.000 3.037 373 A HA 0.184 4.505 4.320 0.001 0.000 0.272 373 A C -0.510 177.059 177.584 -0.025 0.000 1.723 373 A CA -0.247 51.781 52.037 -0.015 0.000 1.413 373 A CB -0.891 18.098 19.000 -0.018 0.000 1.112 373 A HN 0.620 nan 8.150 nan 0.000 0.606 374 D N 1.503 121.888 120.400 -0.025 0.000 2.472 374 D HA 0.497 5.137 4.640 0.001 0.000 0.234 374 D C -0.566 175.690 176.300 -0.073 0.000 1.088 374 D CA 0.094 54.068 54.000 -0.043 0.000 0.882 374 D CB 0.922 41.708 40.800 -0.023 0.000 1.037 374 D HN 0.149 nan 8.370 nan 0.000 0.520 375 L N 1.789 122.958 121.223 -0.090 0.000 2.341 375 L HA 0.611 4.952 4.340 0.001 0.000 0.267 375 L C -0.247 176.529 176.870 -0.156 0.000 1.009 375 L CA -1.144 53.631 54.840 -0.108 0.000 0.819 375 L CB 1.980 43.995 42.059 -0.073 0.000 1.323 375 L HN 0.026 nan 8.230 nan 0.000 0.425 376 V N 2.162 121.957 119.914 -0.197 0.000 2.680 376 V HA 0.605 4.726 4.120 0.001 0.000 0.309 376 V C -0.503 175.527 176.094 -0.106 0.000 1.052 376 V CA -0.751 61.414 62.300 -0.224 0.000 0.908 376 V CB 2.729 34.255 31.823 -0.495 0.000 1.001 376 V HN 0.433 nan 8.190 nan 0.000 0.431 377 V N 5.719 125.618 119.914 -0.026 0.000 2.384 377 V HA 0.512 4.632 4.120 0.001 0.000 0.287 377 V C -0.787 175.318 176.094 0.018 0.000 1.020 377 V CA -0.551 61.770 62.300 0.035 0.000 0.850 377 V CB 1.599 33.521 31.823 0.165 0.000 0.987 377 V HN 0.537 nan 8.190 nan 0.000 0.436 378 L N 4.089 125.312 121.223 0.000 0.000 2.356 378 L HA 0.525 4.866 4.340 0.001 0.000 0.277 378 L C -0.238 176.624 176.870 -0.014 0.000 0.996 378 L CA -0.364 54.468 54.840 -0.013 0.000 0.822 378 L CB 1.624 43.675 42.059 -0.013 0.000 1.256 378 L HN 0.651 nan 8.230 nan 0.000 0.413 379 D N 3.390 123.777 120.400 -0.020 0.000 2.470 379 D HA 0.519 5.159 4.640 0.001 0.000 0.226 379 D C 0.379 176.666 176.300 -0.021 0.000 1.196 379 D CA 1.164 55.151 54.000 -0.020 0.000 0.979 379 D CB -0.023 40.761 40.800 -0.026 0.000 1.059 379 D HN 0.796 nan 8.370 nan 0.000 0.515 380 G N 2.607 111.394 108.800 -0.023 0.000 2.343 380 G HA2 -0.046 3.914 3.960 0.001 0.000 0.465 380 G HA3 -0.046 3.914 3.960 0.001 0.000 0.465 380 G C -1.129 173.753 174.900 -0.029 0.000 1.282 380 G CA -1.086 44.000 45.100 -0.023 0.000 0.996 380 G HN 0.510 nan 8.290 nan 0.000 0.521 381 N N 1.031 119.714 118.700 -0.028 0.000 2.511 381 N HA 0.613 5.353 4.740 0.001 0.000 0.249 381 N C -0.757 174.730 175.510 -0.038 0.000 0.971 381 N CA -1.967 51.064 53.050 -0.032 0.000 0.938 381 N CB 2.363 40.835 38.487 -0.026 0.000 1.131 381 N HN 0.182 nan 8.380 nan 0.000 0.505 382 P HA -0.107 nan 4.420 nan 0.000 0.223 382 P C 1.277 178.542 177.300 -0.058 0.000 1.151 382 P CA 0.339 63.391 63.100 -0.080 0.000 0.787 382 P CB 0.495 32.119 31.700 -0.126 0.000 0.788 383 L N -0.186 121.014 121.223 -0.039 0.000 2.275 383 L HA -0.060 4.281 4.340 0.001 0.000 0.215 383 L C 2.199 179.061 176.870 -0.013 0.000 1.119 383 L CA 1.858 56.685 54.840 -0.022 0.000 0.790 383 L CB -1.125 40.924 42.059 -0.017 0.000 0.919 383 L HN -0.038 nan 8.230 nan 0.000 0.443 384 E N -2.129 118.062 120.200 -0.015 0.000 2.367 384 E HA 0.014 4.365 4.350 0.001 0.000 0.204 384 E C -0.140 176.457 176.600 -0.006 0.000 0.840 384 E CA 0.007 56.403 56.400 -0.007 0.000 1.051 384 E CB 0.716 30.413 29.700 -0.005 0.000 1.051 384 E HN 0.168 nan 8.360 nan 0.000 0.509 385 D N 0.299 120.691 120.400 -0.013 0.000 2.453 385 D HA 0.089 4.729 4.640 0.001 0.000 0.238 385 D C 0.283 176.567 176.300 -0.026 0.000 1.088 385 D CA -0.306 53.687 54.000 -0.011 0.000 0.854 385 D CB 1.181 41.976 40.800 -0.008 0.000 1.076 385 D HN -0.033 nan 8.370 nan 0.000 0.533 386 I N 3.423 123.982 120.570 -0.018 0.000 2.756 386 I HA 0.087 4.257 4.170 0.001 0.000 0.262 386 I C 1.994 178.087 176.117 -0.039 0.000 1.225 386 I CA 1.099 62.377 61.300 -0.037 0.000 1.472 386 I CB -0.232 37.776 38.000 0.014 0.000 1.094 386 I HN 0.589 nan 8.210 nan 0.000 0.454 387 G N -0.039 108.757 108.800 -0.007 0.000 2.470 387 G HA2 -0.209 3.751 3.960 0.001 0.000 0.220 387 G HA3 -0.209 3.751 3.960 0.001 0.000 0.220 387 G C 1.705 176.599 174.900 -0.011 0.000 1.121 387 G CA 1.051 46.156 45.100 0.009 0.000 0.766 387 G HN 0.487 nan 8.290 nan 0.000 0.553 388 V N -1.110 118.780 119.914 -0.040 0.000 2.913 388 V HA -0.026 4.094 4.120 0.001 0.000 0.260 388 V C 2.228 178.284 176.094 -0.063 0.000 1.098 388 V CA 1.818 64.093 62.300 -0.042 0.000 1.121 388 V CB -0.128 31.669 31.823 -0.043 0.000 0.714 388 V HN 0.142 nan 8.190 nan 0.000 0.487 389 V N 0.241 120.071 119.914 -0.139 0.000 3.048 389 V HA 0.427 4.548 4.120 0.001 0.000 0.241 389 V C 2.491 178.524 176.094 -0.103 0.000 1.129 389 V CA 0.995 63.142 62.300 -0.255 0.000 1.128 389 V CB -0.120 31.247 31.823 -0.761 0.000 0.849 389 V HN 0.545 nan 8.190 nan 0.000 0.475 390 A N -0.432 122.385 122.820 -0.006 0.000 2.370 390 A HA 0.138 4.459 4.320 0.001 0.000 0.238 390 A C 1.064 178.749 177.584 0.169 0.000 1.289 390 A CA 0.575 52.716 52.037 0.174 0.000 0.885 390 A CB -0.424 18.699 19.000 0.204 0.000 0.961 390 A HN 0.440 nan 8.150 nan 0.000 0.499 391 D N 0.357 120.830 120.400 0.121 0.000 2.501 391 D HA 0.090 4.730 4.640 0.001 0.000 0.226 391 D C -0.028 176.343 176.300 0.118 0.000 1.198 391 D CA 0.017 54.085 54.000 0.112 0.000 0.830 391 D CB -0.235 40.607 40.800 0.071 0.000 1.014 391 D HN 0.410 nan 8.370 nan 0.000 0.496 392 E N -0.350 119.944 120.200 0.156 0.000 2.689 392 E HA -0.217 4.133 4.350 0.001 0.000 0.165 392 E C 0.820 177.483 176.600 0.105 0.000 1.609 392 E CA 0.490 56.979 56.400 0.148 0.000 0.674 392 E CB -1.210 28.558 29.700 0.115 0.000 1.103 392 E HN 0.562 nan 8.360 nan 0.000 0.373 393 G N 1.448 110.317 108.800 0.115 0.000 2.205 393 G HA2 -0.443 3.518 3.960 0.001 0.000 0.269 393 G HA3 -0.443 3.518 3.960 0.001 0.000 0.269 393 G C 1.071 175.991 174.900 0.034 0.000 0.977 393 G CA 1.526 46.669 45.100 0.072 0.000 0.652 393 G HN 1.263 nan 8.290 nan 0.000 0.539 394 A N -0.096 122.747 122.820 0.038 0.000 1.865 394 A HA 0.055 4.375 4.320 0.001 0.000 0.217 394 A C 2.137 179.720 177.584 -0.002 0.000 1.191 394 A CA 2.137 54.185 52.037 0.018 0.000 0.623 394 A CB -0.244 18.773 19.000 0.028 0.000 0.826 394 A HN 0.491 nan 8.150 nan 0.000 0.444 395 R N -1.381 119.119 120.500 -0.001 0.000 2.546 395 R HA 0.283 4.623 4.340 0.001 0.000 0.320 395 R C -0.601 175.682 176.300 -0.028 0.000 1.021 395 R CA -0.005 56.085 56.100 -0.017 0.000 1.088 395 R CB 0.849 31.142 30.300 -0.012 0.000 1.278 395 R HN 0.283 nan 8.270 nan 0.000 0.557 396 V N 1.826 121.721 119.914 -0.031 0.000 2.347 396 V HA 0.207 4.328 4.120 0.001 0.000 0.280 396 V C 0.488 176.523 176.094 -0.099 0.000 1.021 396 V CA -0.260 62.010 62.300 -0.050 0.000 0.847 396 V CB 1.425 33.225 31.823 -0.038 0.000 0.990 396 V HN 0.382 nan 8.190 nan 0.000 0.444 397 E N 5.573 125.683 120.200 -0.150 0.000 2.490 397 E HA 0.115 4.465 4.350 0.001 0.000 0.209 397 E C -0.955 175.315 176.600 -0.550 0.000 0.971 397 E CA -0.089 56.112 56.400 -0.331 0.000 0.988 397 E CB 0.534 29.998 29.700 -0.392 0.000 1.029 397 E HN 0.651 nan 8.360 nan 0.000 0.496 398 Y N 0.103 120.367 120.300 -0.060 0.000 2.477 398 Y HA 0.488 5.038 4.550 0.000 0.000 0.347 398 Y C -0.567 175.277 175.900 -0.092 0.000 0.981 398 Y CA -1.051 57.010 58.100 -0.066 0.000 1.033 398 Y CB 2.546 40.970 38.460 -0.060 0.000 1.245 398 Y HN -0.237 nan 8.280 nan 0.000 0.455 399 V N 4.770 124.733 119.914 0.081 0.000 2.525 399 V HA 0.441 4.561 4.120 0.001 0.000 0.299 399 V C -0.999 175.088 176.094 -0.011 0.000 1.034 399 V CA -0.678 61.611 62.300 -0.018 0.000 0.863 399 V CB 1.737 33.525 31.823 -0.059 0.000 0.999 399 V HN 0.494 nan 8.190 nan 0.000 0.423 400 L N 4.102 125.300 121.223 -0.042 0.000 2.317 400 L HA 0.652 4.992 4.340 0.001 0.000 0.281 400 L C -0.191 176.650 176.870 -0.049 0.000 1.024 400 L CA 0.159 54.974 54.840 -0.041 0.000 0.810 400 L CB 1.769 43.799 42.059 -0.049 0.000 1.240 400 L HN 0.699 nan 8.230 nan 0.000 0.427 401 Q N 2.954 122.731 119.800 -0.038 0.000 2.292 401 Q HA 0.438 4.778 4.340 0.001 0.000 0.270 401 Q C -0.689 175.293 176.000 -0.031 0.000 1.024 401 Q CA -0.696 55.085 55.803 -0.036 0.000 0.768 401 Q CB 1.194 29.911 28.738 -0.036 0.000 1.250 401 Q HN 0.433 nan 8.270 nan 0.000 0.447 402 R N 2.767 123.251 120.500 -0.027 0.000 3.251 402 R HA -0.334 4.006 4.340 0.001 0.000 0.249 402 R C 0.640 176.926 176.300 -0.023 0.000 0.949 402 R CA 0.774 56.860 56.100 -0.022 0.000 0.645 402 R CB -1.840 28.445 30.300 -0.026 0.000 1.065 402 R HN 1.176 nan 8.270 nan 0.000 0.452 403 G N -1.309 107.477 108.800 -0.024 0.000 3.329 403 G HA2 -0.413 3.547 3.960 0.001 0.000 0.220 403 G HA3 -0.413 3.547 3.960 0.001 0.000 0.220 403 G C 0.249 175.132 174.900 -0.029 0.000 1.358 403 G CA 0.569 45.654 45.100 -0.025 0.000 0.856 403 G HN 0.783 nan 8.290 nan 0.000 0.551 404 T N 1.210 115.748 114.554 -0.027 0.000 2.913 404 T HA 0.553 4.904 4.350 0.001 0.000 0.297 404 T C 0.388 175.073 174.700 -0.024 0.000 1.029 404 T CA 0.257 62.342 62.100 -0.025 0.000 1.104 404 T CB 1.332 70.186 68.868 -0.023 0.000 0.964 404 T HN 1.323 nan 8.240 nan 0.000 0.532 405 L N 5.304 126.516 121.223 -0.019 0.000 2.331 405 L HA 0.453 4.794 4.340 0.001 0.000 0.278 405 L C 0.544 177.417 176.870 0.006 0.000 1.106 405 L CA 0.195 55.033 54.840 -0.003 0.000 0.824 405 L CB 0.972 43.034 42.059 0.005 0.000 1.142 405 L HN 0.664 nan 8.230 nan 0.000 0.443 406 V N 1.765 121.685 119.914 0.010 0.000 3.539 406 V HA 0.397 4.517 4.120 0.001 0.000 0.262 406 V C 0.279 176.376 176.094 0.005 0.000 1.381 406 V CA -0.041 62.259 62.300 0.000 0.000 1.060 406 V CB -0.337 31.477 31.823 -0.014 0.000 0.842 406 V HN 0.632 nan 8.190 nan 0.000 0.445 407 K N 1.726 122.138 120.400 0.020 0.000 2.468 407 K HA 0.584 4.905 4.320 0.001 0.000 0.252 407 K C -1.199 175.414 176.600 0.021 0.000 0.932 407 K CA -0.367 55.923 56.287 0.006 0.000 0.794 407 K CB 3.162 35.652 32.500 -0.017 0.000 1.241 407 K HN 0.165 nan 8.250 nan 0.000 0.428 408 R N 3.170 123.657 120.500 -0.021 0.000 2.473 408 R HA 0.267 4.608 4.340 0.001 0.000 0.303 408 R C -0.878 175.328 176.300 -0.156 0.000 1.002 408 R CA -0.133 55.908 56.100 -0.098 0.000 0.884 408 R CB 1.080 31.387 30.300 0.013 0.000 1.173 408 R HN 0.716 nan 8.270 nan 0.000 0.464 409 Q N 0.000 119.646 119.800 -0.256 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 409 Q CA 0.000 55.699 55.803 -0.174 0.000 1.022 409 Q CB 0.000 28.661 28.738 -0.128 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481