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 3flu_1_D DATA FIRST_RESID -1 DATA SEQUENCE FTMLQGSLVA LITPMNQDGS IHYEQLRDLI DWHIENGTDG IVAVGTTGES DATA SEQUENCE ATLSVEEHTA VIEAVVKHVA KRVPVIAGTG ANNTVEAIAL SQAAEKAGAD DATA SEQUENCE YTLSVVPYYN KPSQEGIYQH FKTIAEATSI PMIIYNVPGR TVVSMTNDTI DATA SEQUENCE LRLAEIPNIV GVKEASGNIG SNIELINRAP EGFVVLSGDD HTALPFMLCG DATA SEQUENCE GHGVITVAAN AAPKLFADMC RAALQGDIAL ARELNDRLIP IYDTMFCEPS DATA SEQUENCE PAAPKWAVSA LGRCEPHVRL PLVPLTENGQ AKVRAALKAS GQL 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 -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.824 175.800 0.039 0.000 0.967 -1 F CA 0.000 58.003 58.000 0.006 0.000 1.383 -1 F CB 0.000 39.011 39.000 0.019 0.000 1.145 0 T N 1.150 115.887 114.554 0.305 0.000 3.305 0 T HA 0.343 4.692 4.350 -0.001 0.000 0.309 0 T C -0.725 174.108 174.700 0.222 0.000 0.889 0 T CA -0.402 61.789 62.100 0.151 0.000 1.386 0 T CB 0.344 69.293 68.868 0.136 0.000 0.929 0 T HN 0.770 nan 8.240 nan 0.000 0.538 1 M N 2.909 122.608 119.600 0.165 0.000 2.243 1 M HA -0.062 4.417 4.480 -0.001 0.000 0.446 1 M C 0.162 176.510 176.300 0.080 0.000 1.421 1 M CA 0.424 55.819 55.300 0.158 0.000 0.772 1 M CB -0.034 32.600 32.600 0.056 0.000 2.004 1 M HN 0.506 nan 8.290 nan 0.000 0.525 2 L N 4.943 126.155 121.223 -0.018 0.000 2.543 2 L HA -0.056 4.283 4.340 -0.001 0.000 0.285 2 L C 0.270 177.109 176.870 -0.052 0.000 1.236 2 L CA 0.513 55.274 54.840 -0.130 0.000 0.871 2 L CB -0.206 41.643 42.059 -0.349 0.000 1.121 2 L HN 0.670 nan 8.230 nan 0.000 0.501 3 Q N 1.977 121.764 119.800 -0.022 0.000 2.578 3 Q HA 0.748 5.087 4.340 -0.001 0.000 0.284 3 Q C -0.212 175.802 176.000 0.024 0.000 0.960 3 Q CA -0.281 55.543 55.803 0.034 0.000 0.809 3 Q CB 1.429 30.202 28.738 0.059 0.000 1.462 3 Q HN 0.818 nan 8.270 nan 0.000 0.392 4 G N 0.920 109.745 108.800 0.042 0.000 2.509 4 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.259 4 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.259 4 G C -0.447 174.494 174.900 0.069 0.000 1.169 4 G CA -0.187 44.937 45.100 0.040 0.000 0.953 4 G HN 1.540 nan 8.290 nan 0.000 0.563 5 S N 0.421 116.179 115.700 0.097 0.000 2.404 5 S HA 0.630 5.099 4.470 -0.001 0.000 0.309 5 S C 0.067 174.703 174.600 0.060 0.000 1.076 5 S CA -0.546 57.766 58.200 0.186 0.000 1.095 5 S CB -0.369 63.011 63.200 0.299 0.000 0.972 5 S HN 0.735 nan 8.310 nan 0.000 0.484 6 L N 5.780 127.002 121.223 -0.002 0.000 2.301 6 L HA 0.496 4.836 4.340 -0.001 0.000 0.278 6 L C 0.091 176.883 176.870 -0.131 0.000 1.022 6 L CA -0.843 53.950 54.840 -0.078 0.000 0.854 6 L CB 1.457 43.449 42.059 -0.112 0.000 1.226 6 L HN 0.374 nan 8.230 nan 0.000 0.429 7 V N 3.690 123.503 119.914 -0.167 0.000 2.521 7 V HA 0.319 4.439 4.120 -0.001 0.000 0.286 7 V C 0.927 176.896 176.094 -0.208 0.000 1.034 7 V CA -0.230 61.931 62.300 -0.232 0.000 1.045 7 V CB 1.390 32.976 31.823 -0.394 0.000 0.974 7 V HN 0.835 nan 8.190 nan 0.000 0.480 8 A N 7.863 130.575 122.820 -0.180 0.000 2.906 8 A HA 0.392 4.712 4.320 -0.001 0.000 0.289 8 A C -0.232 177.278 177.584 -0.124 0.000 1.675 8 A CA -0.288 51.667 52.037 -0.136 0.000 1.372 8 A CB -0.532 18.404 19.000 -0.105 0.000 1.091 8 A HN 0.908 nan 8.150 nan 0.000 0.579 9 L N 4.083 125.225 121.223 -0.136 0.000 2.410 9 L HA 0.342 4.682 4.340 -0.001 0.000 0.273 9 L C 0.572 177.398 176.870 -0.074 0.000 1.152 9 L CA -0.212 54.551 54.840 -0.128 0.000 0.855 9 L CB 0.242 42.214 42.059 -0.145 0.000 1.129 9 L HN 0.650 nan 8.230 nan 0.000 0.463 10 I N 0.914 121.455 120.570 -0.048 0.000 2.993 10 I HA 0.164 4.334 4.170 -0.001 0.000 0.286 10 I C -0.049 176.038 176.117 -0.051 0.000 1.215 10 I CA -0.085 61.190 61.300 -0.042 0.000 1.393 10 I CB 0.151 38.133 38.000 -0.029 0.000 1.371 10 I HN 0.556 nan 8.210 nan 0.000 0.602 11 T N 5.448 119.966 114.554 -0.061 0.000 2.947 11 T HA 0.379 4.729 4.350 -0.001 0.000 0.337 11 T C -2.397 172.254 174.700 -0.080 0.000 1.139 11 T CA -1.041 61.009 62.100 -0.084 0.000 0.992 11 T CB 0.642 69.453 68.868 -0.095 0.000 1.043 11 T HN 0.498 nan 8.240 nan 0.000 0.498 12 P HA 0.264 nan 4.420 nan 0.000 0.268 12 P C -0.505 176.775 177.300 -0.034 0.000 1.204 12 P CA 0.009 63.068 63.100 -0.067 0.000 0.768 12 P CB 0.472 32.108 31.700 -0.107 0.000 0.842 13 M N 2.282 121.903 119.600 0.035 0.000 2.644 13 M HA 0.336 4.816 4.480 -0.001 0.000 0.304 13 M C 0.344 176.747 176.300 0.172 0.000 1.215 13 M CA -0.815 54.526 55.300 0.070 0.000 0.871 13 M CB 1.821 34.455 32.600 0.056 0.000 1.740 13 M HN 0.192 nan 8.290 nan 0.000 0.464 14 N N 0.596 119.345 118.700 0.082 0.000 2.364 14 N HA 0.095 4.834 4.740 -0.001 0.000 0.264 14 N C 0.291 175.688 175.510 -0.188 0.000 1.263 14 N CA -0.234 52.836 53.050 0.033 0.000 0.959 14 N CB 0.572 39.018 38.487 -0.069 0.000 1.204 14 N HN 0.706 nan 8.380 nan 0.000 0.550 15 Q N 0.205 119.759 119.800 -0.410 0.000 2.181 15 Q HA -0.194 4.145 4.340 -0.001 0.000 0.205 15 Q C 0.266 176.040 176.000 -0.376 0.000 0.980 15 Q CA 1.683 57.031 55.803 -0.758 0.000 0.862 15 Q CB -0.012 28.466 28.738 -0.432 0.000 0.905 15 Q HN 0.578 nan 8.270 nan 0.000 0.429 16 D N -2.216 118.063 120.400 -0.203 0.000 2.349 16 D HA 0.041 4.681 4.640 -0.001 0.000 0.224 16 D C 1.055 177.304 176.300 -0.085 0.000 1.029 16 D CA 0.898 54.827 54.000 -0.118 0.000 0.879 16 D CB 0.056 40.807 40.800 -0.081 0.000 0.906 16 D HN 0.391 nan 8.370 nan 0.000 0.528 17 G N 0.140 108.886 108.800 -0.090 0.000 2.175 17 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.244 17 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.244 17 G C 0.405 175.288 174.900 -0.028 0.000 0.982 17 G CA 0.358 45.435 45.100 -0.038 0.000 0.641 17 G HN 0.840 nan 8.290 nan 0.000 0.527 18 S N 0.154 115.832 115.700 -0.037 0.000 2.576 18 S HA 0.621 5.091 4.470 -0.001 0.000 0.276 18 S C 0.614 175.185 174.600 -0.049 0.000 1.339 18 S CA -0.501 57.681 58.200 -0.030 0.000 1.039 18 S CB 1.336 64.522 63.200 -0.024 0.000 0.902 18 S HN 0.598 nan 8.310 nan 0.000 0.516 19 I N 2.196 122.713 120.570 -0.088 0.000 2.648 19 I HA 0.061 4.230 4.170 -0.001 0.000 0.284 19 I C 0.907 176.900 176.117 -0.206 0.000 1.153 19 I CA 0.239 61.401 61.300 -0.231 0.000 1.426 19 I CB 0.183 37.884 38.000 -0.497 0.000 1.381 19 I HN 0.768 nan 8.210 nan 0.000 0.571 20 H N 5.967 124.883 119.070 -0.258 0.000 2.724 20 H HA 0.200 4.755 4.556 -0.001 0.000 0.278 20 H C -0.015 175.222 175.328 -0.152 0.000 1.159 20 H CA -0.452 55.517 56.048 -0.133 0.000 1.254 20 H CB 0.442 30.162 29.762 -0.069 0.000 1.412 20 H HN 0.618 nan 8.280 nan 0.000 0.488 21 Y N 2.295 122.717 120.300 0.204 0.000 2.314 21 Y HA -0.176 4.373 4.550 -0.001 0.000 0.293 21 Y C 2.431 178.350 175.900 0.032 0.000 1.129 21 Y CA 1.219 59.366 58.100 0.078 0.000 1.201 21 Y CB 0.279 38.762 38.460 0.039 0.000 0.999 21 Y HN 0.674 nan 8.280 nan 0.000 0.541 22 E N 0.336 120.685 120.200 0.248 0.000 2.110 22 E HA -0.274 4.076 4.350 -0.001 0.000 0.193 22 E C 1.899 178.445 176.600 -0.090 0.000 0.988 22 E CA 1.400 57.843 56.400 0.071 0.000 0.804 22 E CB -0.027 29.746 29.700 0.121 0.000 0.745 22 E HN 0.564 nan 8.360 nan 0.000 0.458 23 Q N 0.026 119.679 119.800 -0.245 0.000 2.084 23 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 23 Q C 2.347 178.252 176.000 -0.158 0.000 0.978 23 Q CA 1.140 56.757 55.803 -0.310 0.000 0.844 23 Q CB -0.126 28.307 28.738 -0.508 0.000 0.898 23 Q HN 0.277 nan 8.270 nan 0.000 0.426 24 L N 1.136 122.293 121.223 -0.110 0.000 2.012 24 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 24 L C 2.162 178.998 176.870 -0.056 0.000 1.073 24 L CA 1.826 56.631 54.840 -0.058 0.000 0.748 24 L CB -0.306 41.727 42.059 -0.044 0.000 0.891 24 L HN 0.040 nan 8.230 nan 0.000 0.431 25 R N -0.536 119.877 120.500 -0.145 0.000 2.081 25 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 25 R C 1.931 178.102 176.300 -0.215 0.000 1.131 25 R CA 1.510 57.352 56.100 -0.429 0.000 0.960 25 R CB -0.604 29.229 30.300 -0.779 0.000 0.856 25 R HN 0.442 nan 8.270 nan 0.000 0.436 26 D N 0.797 121.133 120.400 -0.107 0.000 2.144 26 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 26 D C 1.986 178.340 176.300 0.089 0.000 0.984 26 D CA 0.923 54.919 54.000 -0.007 0.000 0.834 26 D CB -0.131 40.627 40.800 -0.069 0.000 0.955 26 D HN 0.167 nan 8.370 nan 0.000 0.465 27 L N 0.333 121.608 121.223 0.087 0.000 2.017 27 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 27 L C 2.474 179.578 176.870 0.390 0.000 1.073 27 L CA 0.705 55.705 54.840 0.266 0.000 0.745 27 L CB -0.294 41.890 42.059 0.208 0.000 0.894 27 L HN 0.026 nan 8.230 nan 0.000 0.432 28 I N -0.150 120.570 120.570 0.250 0.000 2.151 28 I HA -0.355 3.815 4.170 -0.001 0.000 0.243 28 I C 2.177 178.462 176.117 0.281 0.000 1.080 28 I CA 1.431 62.886 61.300 0.258 0.000 1.339 28 I CB -0.413 37.736 38.000 0.250 0.000 1.039 28 I HN 0.289 nan 8.210 nan 0.000 0.409 29 D N -0.241 120.331 120.400 0.288 0.000 2.097 29 D HA -0.240 4.400 4.640 -0.001 0.000 0.195 29 D C 1.680 178.118 176.300 0.231 0.000 0.989 29 D CA 1.148 55.292 54.000 0.241 0.000 0.827 29 D CB -0.393 40.553 40.800 0.243 0.000 0.966 29 D HN 0.456 nan 8.370 nan 0.000 0.456 30 W N 1.948 123.268 121.300 0.033 0.000 2.335 30 W HA -0.198 4.462 4.660 -0.001 0.000 0.311 30 W C 2.388 178.850 176.519 -0.096 0.000 1.213 30 W CA 1.594 58.911 57.345 -0.048 0.000 1.274 30 W CB -0.617 28.784 29.460 -0.098 0.000 1.148 30 W HN 0.103 nan 8.180 nan 0.000 0.498 31 H N -0.087 118.958 119.070 -0.040 0.000 2.267 31 H HA -0.202 4.353 4.556 -0.001 0.000 0.297 31 H C 2.312 177.555 175.328 -0.143 0.000 1.080 31 H CA 2.640 58.556 56.048 -0.222 0.000 1.278 31 H CB -0.874 28.831 29.762 -0.094 0.000 1.365 31 H HN 0.202 nan 8.280 nan 0.000 0.489 32 I N 1.145 121.763 120.570 0.079 0.000 2.286 32 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 32 I C 2.706 178.822 176.117 -0.002 0.000 1.115 32 I CA 1.557 62.882 61.300 0.042 0.000 1.392 32 I CB -0.333 37.702 38.000 0.059 0.000 1.065 32 I HN 0.412 nan 8.210 nan 0.000 0.418 33 E N 0.663 120.860 120.200 -0.006 0.000 2.204 33 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 33 E C 1.230 177.790 176.600 -0.067 0.000 0.989 33 E CA 1.099 57.490 56.400 -0.015 0.000 0.824 33 E CB -0.301 29.414 29.700 0.025 0.000 0.756 33 E HN 0.511 nan 8.360 nan 0.000 0.477 34 N N 0.256 118.862 118.700 -0.157 0.000 2.270 34 N HA 0.066 4.806 4.740 -0.001 0.000 0.198 34 N C 0.591 176.019 175.510 -0.137 0.000 1.117 34 N CA 0.801 53.729 53.050 -0.203 0.000 0.845 34 N CB 1.349 39.580 38.487 -0.427 0.000 0.980 34 N HN 0.457 nan 8.380 nan 0.000 0.486 35 G N 0.532 109.284 108.800 -0.080 0.000 2.144 35 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.218 35 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.218 35 G C 0.157 175.050 174.900 -0.013 0.000 0.988 35 G CA -0.074 45.004 45.100 -0.037 0.000 0.659 35 G HN 0.253 nan 8.290 nan 0.000 0.522 36 T N 1.540 116.090 114.554 -0.007 0.000 2.867 36 T HA 0.279 4.629 4.350 -0.001 0.000 0.297 36 T C 1.062 175.778 174.700 0.026 0.000 0.989 36 T CA 0.620 62.745 62.100 0.043 0.000 1.159 36 T CB 0.813 69.758 68.868 0.128 0.000 0.928 36 T HN 0.233 nan 8.240 nan 0.000 0.538 37 D N 1.813 122.227 120.400 0.023 0.000 2.348 37 D HA 0.171 4.811 4.640 -0.001 0.000 0.211 37 D C 1.064 177.365 176.300 0.002 0.000 0.998 37 D CA 0.391 54.400 54.000 0.014 0.000 0.873 37 D CB 0.529 41.339 40.800 0.017 0.000 0.925 37 D HN 0.721 nan 8.370 nan 0.000 0.524 38 G N 0.193 108.983 108.800 -0.016 0.000 2.547 38 G HA2 0.499 4.459 3.960 -0.001 0.000 0.291 38 G HA3 0.499 4.459 3.960 -0.001 0.000 0.291 38 G C -1.791 173.070 174.900 -0.065 0.000 1.471 38 G CA -0.750 44.333 45.100 -0.029 0.000 0.798 38 G HN -0.001 nan 8.290 nan 0.000 0.504 39 I N 0.681 121.216 120.570 -0.058 0.000 2.447 39 I HA 0.382 4.552 4.170 -0.001 0.000 0.287 39 I C -0.295 175.779 176.117 -0.072 0.000 1.023 39 I CA -1.040 60.205 61.300 -0.092 0.000 1.083 39 I CB 2.323 40.283 38.000 -0.066 0.000 1.245 39 I HN 0.208 nan 8.210 nan 0.000 0.434 40 V N 5.960 125.813 119.914 -0.102 0.000 2.364 40 V HA 0.584 4.704 4.120 -0.001 0.000 0.272 40 V C 0.474 176.529 176.094 -0.066 0.000 1.036 40 V CA -0.422 61.830 62.300 -0.080 0.000 0.880 40 V CB 1.120 32.878 31.823 -0.109 0.000 0.991 40 V HN 0.793 nan 8.190 nan 0.000 0.460 41 A N 3.963 126.762 122.820 -0.035 0.000 2.305 41 A HA 0.684 5.003 4.320 -0.001 0.000 0.322 41 A C 0.463 178.022 177.584 -0.042 0.000 1.187 41 A CA -0.491 51.527 52.037 -0.032 0.000 0.825 41 A CB 1.154 20.153 19.000 -0.002 0.000 1.164 41 A HN 1.530 nan 8.150 nan 0.000 0.498 42 V N 1.557 121.423 119.914 -0.079 0.000 5.325 42 V HA -0.249 3.871 4.120 -0.001 0.000 0.291 42 V C 1.203 177.251 176.094 -0.077 0.000 0.541 42 V CA 1.032 63.245 62.300 -0.144 0.000 0.687 42 V CB -2.351 29.305 31.823 -0.278 0.000 0.491 42 V HN 1.526 nan 8.190 nan 0.000 1.145 43 G N 0.059 108.840 108.800 -0.033 0.000 2.508 43 G HA2 0.393 4.353 3.960 -0.001 0.000 0.278 43 G HA3 0.393 4.353 3.960 -0.001 0.000 0.278 43 G C 1.021 175.942 174.900 0.034 0.000 1.389 43 G CA 0.438 45.553 45.100 0.024 0.000 1.050 43 G HN 0.420 nan 8.290 nan 0.000 0.522 44 T N 0.126 114.737 114.554 0.095 0.000 2.665 44 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 44 T C 2.544 177.272 174.700 0.046 0.000 1.035 44 T CA 2.167 64.318 62.100 0.085 0.000 1.151 44 T CB -0.569 68.389 68.868 0.151 0.000 0.862 44 T HN 0.444 nan 8.240 nan 0.000 0.438 45 T N 0.932 115.510 114.554 0.040 0.000 2.962 45 T HA 0.050 4.400 4.350 -0.001 0.000 0.270 45 T C 1.968 176.653 174.700 -0.024 0.000 1.088 45 T CA 1.045 63.148 62.100 0.006 0.000 1.127 45 T CB -0.427 68.432 68.868 -0.014 0.000 0.883 45 T HN 0.527 nan 8.240 nan 0.000 0.493 46 G N 0.580 109.360 108.800 -0.034 0.000 3.181 46 G HA2 0.185 4.144 3.960 -0.001 0.000 0.219 46 G HA3 0.185 4.144 3.960 -0.001 0.000 0.219 46 G C 0.077 174.937 174.900 -0.066 0.000 1.182 46 G CA -0.306 44.759 45.100 -0.058 0.000 0.791 46 G HN 0.546 nan 8.290 nan 0.000 0.537 47 E N -0.207 119.970 120.200 -0.039 0.000 2.416 47 E HA -0.263 4.087 4.350 -0.001 0.000 0.249 47 E C 1.828 178.401 176.600 -0.045 0.000 1.124 47 E CA 0.212 56.593 56.400 -0.031 0.000 0.732 47 E CB -1.462 28.223 29.700 -0.026 0.000 1.286 47 E HN 0.627 nan 8.360 nan 0.000 0.394 48 S N -0.935 114.735 115.700 -0.050 0.000 2.387 48 S HA -0.257 4.213 4.470 -0.001 0.000 0.230 48 S C 2.111 176.790 174.600 0.132 0.000 1.035 48 S CA 1.067 59.245 58.200 -0.037 0.000 1.014 48 S CB -0.116 63.117 63.200 0.055 0.000 0.836 48 S HN 0.540 nan 8.310 nan 0.000 0.466 49 A N 1.874 124.724 122.820 0.050 0.000 1.969 49 A HA 0.000 4.320 4.320 -0.001 0.000 0.218 49 A C 2.404 180.017 177.584 0.048 0.000 1.169 49 A CA 1.839 53.893 52.037 0.029 0.000 0.635 49 A CB -1.121 17.850 19.000 -0.048 0.000 0.810 49 A HN 0.786 nan 8.150 nan 0.000 0.445 50 T N -3.597 110.981 114.554 0.040 0.000 3.054 50 T HA 0.483 4.833 4.350 -0.001 0.000 0.255 50 T C 0.090 174.821 174.700 0.052 0.000 1.035 50 T CA -0.356 61.764 62.100 0.034 0.000 0.941 50 T CB -0.181 68.696 68.868 0.014 0.000 1.026 50 T HN -0.014 nan 8.240 nan 0.000 0.533 51 L N 3.521 124.797 121.223 0.089 0.000 2.334 51 L HA 0.533 4.873 4.340 -0.001 0.000 0.277 51 L C 0.856 177.852 176.870 0.210 0.000 1.075 51 L CA -0.330 54.585 54.840 0.125 0.000 0.804 51 L CB 1.415 43.514 42.059 0.067 0.000 1.174 51 L HN 0.404 nan 8.230 nan 0.000 0.438 52 S N 1.798 117.589 115.700 0.151 0.000 2.608 52 S HA 0.199 4.669 4.470 -0.001 0.000 0.261 52 S C 1.274 175.956 174.600 0.137 0.000 1.314 52 S CA -0.620 57.646 58.200 0.109 0.000 0.992 52 S CB 0.746 63.987 63.200 0.068 0.000 0.935 52 S HN 0.325 nan 8.310 nan 0.000 0.564 53 V N 1.806 121.726 119.914 0.011 0.000 2.407 53 V HA -0.152 3.968 4.120 -0.001 0.000 0.248 53 V C 2.544 178.672 176.094 0.057 0.000 1.055 53 V CA 2.388 64.656 62.300 -0.054 0.000 1.049 53 V CB -1.373 30.406 31.823 -0.074 0.000 0.662 53 V HN 0.900 nan 8.190 nan 0.000 0.455 54 E N 0.065 120.303 120.200 0.064 0.000 2.110 54 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 54 E C 2.125 178.794 176.600 0.116 0.000 0.988 54 E CA 1.475 57.920 56.400 0.075 0.000 0.804 54 E CB -0.220 29.513 29.700 0.056 0.000 0.745 54 E HN 0.673 nan 8.360 nan 0.000 0.458 55 E N -0.330 119.957 120.200 0.145 0.000 2.112 55 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 55 E C 1.981 178.688 176.600 0.178 0.000 0.979 55 E CA 0.478 56.973 56.400 0.158 0.000 0.814 55 E CB -0.098 29.678 29.700 0.127 0.000 0.762 55 E HN 0.430 nan 8.360 nan 0.000 0.460 56 H N 0.180 119.286 119.070 0.060 0.000 2.289 56 H HA -0.126 4.430 4.556 -0.001 0.000 0.296 56 H C 2.175 177.543 175.328 0.065 0.000 1.091 56 H CA 1.824 57.907 56.048 0.059 0.000 1.274 56 H CB 0.050 29.843 29.762 0.052 0.000 1.364 56 H HN 0.141 nan 8.280 nan 0.000 0.490 57 T N 0.534 115.209 114.554 0.202 0.000 2.746 57 T HA -0.114 4.236 4.350 -0.001 0.000 0.267 57 T C 2.265 177.029 174.700 0.107 0.000 1.039 57 T CA 1.059 63.234 62.100 0.125 0.000 1.142 57 T CB -0.398 68.522 68.868 0.088 0.000 0.866 57 T HN 0.444 nan 8.240 nan 0.000 0.444 58 A N 0.863 123.756 122.820 0.122 0.000 1.902 58 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 58 A C 2.574 180.270 177.584 0.187 0.000 1.181 58 A CA 1.356 53.465 52.037 0.120 0.000 0.623 58 A CB -0.957 18.134 19.000 0.152 0.000 0.818 58 A HN 0.359 nan 8.150 nan 0.000 0.443 59 V N 0.075 120.124 119.914 0.224 0.000 2.307 59 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 59 V C 2.416 178.591 176.094 0.135 0.000 1.045 59 V CA 1.991 64.421 62.300 0.215 0.000 1.024 59 V CB -0.695 31.177 31.823 0.081 0.000 0.651 59 V HN 0.564 nan 8.190 nan 0.000 0.449 60 I N -0.100 120.528 120.570 0.097 0.000 2.208 60 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 60 I C 2.555 178.718 176.117 0.075 0.000 1.097 60 I CA 1.719 63.065 61.300 0.077 0.000 1.363 60 I CB -0.391 37.654 38.000 0.075 0.000 1.051 60 I HN 0.375 nan 8.210 nan 0.000 0.413 61 E N 0.730 120.974 120.200 0.073 0.000 2.058 61 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 61 E C 2.351 178.986 176.600 0.059 0.000 0.997 61 E CA 1.402 57.833 56.400 0.051 0.000 0.801 61 E CB -0.231 29.487 29.700 0.030 0.000 0.746 61 E HN 0.543 nan 8.360 nan 0.000 0.450 62 A N 0.752 123.621 122.820 0.081 0.000 1.933 62 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 62 A C 2.469 180.132 177.584 0.132 0.000 1.175 62 A CA 1.134 53.230 52.037 0.098 0.000 0.628 62 A CB -0.515 18.591 19.000 0.177 0.000 0.814 62 A HN 0.115 nan 8.150 nan 0.000 0.444 63 V N -0.475 119.513 119.914 0.124 0.000 2.307 63 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 63 V C 2.572 178.729 176.094 0.104 0.000 1.045 63 V CA 1.818 64.187 62.300 0.114 0.000 1.024 63 V CB -0.777 31.093 31.823 0.078 0.000 0.651 63 V HN 0.357 nan 8.190 nan 0.000 0.449 64 V N 0.022 119.983 119.914 0.078 0.000 2.282 64 V HA -0.347 3.773 4.120 -0.001 0.000 0.249 64 V C 2.448 178.579 176.094 0.061 0.000 1.057 64 V CA 2.343 64.679 62.300 0.060 0.000 1.032 64 V CB -0.771 31.079 31.823 0.044 0.000 0.645 64 V HN 0.544 nan 8.190 nan 0.000 0.447 65 K N -0.946 119.497 120.400 0.072 0.000 2.026 65 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 65 K C 2.267 178.922 176.600 0.092 0.000 1.048 65 K CA 1.886 58.214 56.287 0.069 0.000 0.929 65 K CB -0.289 32.250 32.500 0.065 0.000 0.713 65 K HN 0.527 nan 8.250 nan 0.000 0.439 66 H N -0.044 119.049 119.070 0.038 0.000 2.436 66 H HA 0.033 4.589 4.556 -0.001 0.000 0.294 66 H C 1.672 177.025 175.328 0.042 0.000 1.048 66 H CA 0.810 56.884 56.048 0.043 0.000 1.353 66 H CB 0.242 30.039 29.762 0.058 0.000 1.414 66 H HN -0.108 nan 8.280 nan 0.000 0.536 67 V N 0.373 120.337 119.914 0.083 0.000 2.427 67 V HA -0.110 4.010 4.120 -0.001 0.000 0.248 67 V C 1.526 177.612 176.094 -0.014 0.000 1.051 67 V CA 0.965 63.287 62.300 0.036 0.000 1.048 67 V CB -1.108 30.750 31.823 0.058 0.000 0.666 67 V HN 0.713 nan 8.190 nan 0.000 0.456 68 A N 0.337 123.151 122.820 -0.010 0.000 2.640 68 A HA -0.301 4.019 4.320 -0.001 0.000 0.300 68 A C 1.070 178.649 177.584 -0.009 0.000 1.499 68 A CA 1.044 53.069 52.037 -0.020 0.000 0.759 68 A CB -1.497 17.471 19.000 -0.054 0.000 1.048 68 A HN 0.537 nan 8.150 nan 0.000 0.450 69 K N -2.763 117.642 120.400 0.007 0.000 3.472 69 K HA -0.268 4.052 4.320 -0.001 0.000 0.315 69 K C 1.073 177.682 176.600 0.015 0.000 1.320 69 K CA 1.787 58.082 56.287 0.013 0.000 0.962 69 K CB -1.425 31.080 32.500 0.008 0.000 1.251 69 K HN 0.880 nan 8.250 nan 0.000 0.443 70 R N 0.586 121.092 120.500 0.010 0.000 2.096 70 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 70 R C 1.392 177.706 176.300 0.023 0.000 1.127 70 R CA 1.750 57.857 56.100 0.011 0.000 0.968 70 R CB -0.005 30.297 30.300 0.004 0.000 0.861 70 R HN 0.276 nan 8.270 nan 0.000 0.440 71 V N -3.255 116.677 119.914 0.031 0.000 3.159 71 V HA 0.504 4.623 4.120 -0.001 0.000 0.308 71 V C -2.769 173.359 176.094 0.056 0.000 1.190 71 V CA -2.954 59.369 62.300 0.039 0.000 1.037 71 V CB 2.229 34.071 31.823 0.031 0.000 1.060 71 V HN -0.141 nan 8.190 nan 0.000 0.437 72 P HA 0.259 nan 4.420 nan 0.000 0.268 72 P C -0.676 176.683 177.300 0.098 0.000 1.205 72 P CA 0.112 63.290 63.100 0.130 0.000 0.771 72 P CB 1.078 32.898 31.700 0.200 0.000 0.858 73 V N 5.035 125.018 119.914 0.115 0.000 2.384 73 V HA 0.328 4.447 4.120 -0.001 0.000 0.287 73 V C 0.495 176.661 176.094 0.119 0.000 1.020 73 V CA -0.460 61.890 62.300 0.083 0.000 0.850 73 V CB 1.024 32.883 31.823 0.061 0.000 0.987 73 V HN 0.364 nan 8.190 nan 0.000 0.436 74 I N 4.333 124.948 120.570 0.074 0.000 2.339 74 I HA 0.680 4.850 4.170 -0.001 0.000 0.290 74 I C 0.444 176.585 176.117 0.040 0.000 0.994 74 I CA -0.327 61.016 61.300 0.072 0.000 1.191 74 I CB 1.726 39.714 38.000 -0.021 0.000 1.343 74 I HN 0.648 nan 8.210 nan 0.000 0.458 75 A N 4.800 127.657 122.820 0.061 0.000 2.276 75 A HA 0.707 5.027 4.320 -0.001 0.000 0.316 75 A C 0.410 178.038 177.584 0.073 0.000 1.229 75 A CA -0.553 51.520 52.037 0.059 0.000 0.851 75 A CB 0.648 19.691 19.000 0.072 0.000 1.165 75 A HN 0.829 nan 8.150 nan 0.000 0.513 76 G N 1.246 110.087 108.800 0.069 0.000 2.334 76 G HA2 0.414 4.373 3.960 -0.001 0.000 0.261 76 G HA3 0.414 4.373 3.960 -0.001 0.000 0.261 76 G C 0.596 175.604 174.900 0.179 0.000 1.257 76 G CA 0.620 45.789 45.100 0.115 0.000 0.935 76 G HN 1.298 nan 8.290 nan 0.000 0.480 77 T N -0.195 114.478 114.554 0.198 0.000 3.399 77 T HA 0.385 4.735 4.350 -0.001 0.000 0.305 77 T C 0.900 175.730 174.700 0.218 0.000 0.983 77 T CA 0.167 62.386 62.100 0.200 0.000 0.967 77 T CB 0.326 69.282 68.868 0.147 0.000 1.186 77 T HN 0.728 nan 8.240 nan 0.000 0.504 78 G N 0.787 109.748 108.800 0.268 0.000 2.491 78 G HA2 0.600 4.560 3.960 -0.001 0.000 0.242 78 G HA3 0.600 4.560 3.960 -0.001 0.000 0.242 78 G C -0.264 174.817 174.900 0.301 0.000 1.266 78 G CA -0.065 45.221 45.100 0.311 0.000 0.844 78 G HN 0.955 nan 8.290 nan 0.000 0.571 79 A N 1.632 124.618 122.820 0.276 0.000 2.604 79 A HA 0.581 4.901 4.320 -0.001 0.000 0.295 79 A C 0.212 177.741 177.584 -0.093 0.000 1.067 79 A CA -0.662 51.494 52.037 0.197 0.000 0.683 79 A CB 1.335 20.415 19.000 0.132 0.000 1.281 79 A HN 0.822 nan 8.150 nan 0.000 0.407 80 N N 1.038 119.483 118.700 -0.425 0.000 2.322 80 N HA 0.053 4.793 4.740 -0.001 0.000 0.216 80 N C -0.473 174.869 175.510 -0.280 0.000 1.144 80 N CA -0.022 52.656 53.050 -0.619 0.000 0.830 80 N CB 0.273 38.165 38.487 -0.993 0.000 1.034 80 N HN 0.470 nan 8.380 nan 0.000 0.484 81 N N -0.140 118.503 118.700 -0.094 0.000 2.558 81 N HA 0.168 4.907 4.740 -0.001 0.000 0.285 81 N C -0.135 175.412 175.510 0.062 0.000 1.112 81 N CA -0.196 52.843 53.050 -0.019 0.000 0.857 81 N CB 1.464 39.944 38.487 -0.013 0.000 1.376 81 N HN -0.113 nan 8.380 nan 0.000 0.526 82 T N 1.499 116.106 114.554 0.089 0.000 2.788 82 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 82 T C 1.838 176.530 174.700 -0.013 0.000 1.044 82 T CA 1.290 63.431 62.100 0.068 0.000 1.139 82 T CB 0.161 69.067 68.868 0.063 0.000 0.867 82 T HN 0.325 nan 8.240 nan 0.000 0.454 83 V N 1.473 121.385 119.914 -0.003 0.000 2.332 83 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 83 V C 2.504 178.594 176.094 -0.007 0.000 1.055 83 V CA 1.746 64.040 62.300 -0.010 0.000 1.038 83 V CB -0.560 31.259 31.823 -0.006 0.000 0.651 83 V HN 0.541 nan 8.190 nan 0.000 0.450 84 E N -0.058 120.144 120.200 0.003 0.000 2.072 84 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 84 E C 2.347 178.954 176.600 0.011 0.000 0.985 84 E CA 1.197 57.599 56.400 0.004 0.000 0.801 84 E CB -0.337 29.370 29.700 0.011 0.000 0.750 84 E HN 0.597 nan 8.360 nan 0.000 0.452 85 A N 1.146 123.982 122.820 0.026 0.000 1.908 85 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 85 A C 2.159 179.741 177.584 -0.003 0.000 1.181 85 A CA 1.228 53.282 52.037 0.028 0.000 0.627 85 A CB -0.654 18.351 19.000 0.010 0.000 0.818 85 A HN 0.161 nan 8.150 nan 0.000 0.445 86 I N -0.205 120.346 120.570 -0.032 0.000 2.208 86 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 86 I C 2.947 179.060 176.117 -0.007 0.000 1.097 86 I CA 1.133 62.417 61.300 -0.026 0.000 1.363 86 I CB -0.290 37.690 38.000 -0.034 0.000 1.051 86 I HN 0.362 nan 8.210 nan 0.000 0.413 87 A N 0.702 123.519 122.820 -0.006 0.000 1.933 87 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 87 A C 2.297 179.883 177.584 0.004 0.000 1.175 87 A CA 1.390 53.425 52.037 -0.003 0.000 0.628 87 A CB -0.766 18.228 19.000 -0.009 0.000 0.814 87 A HN 0.384 nan 8.150 nan 0.000 0.444 88 L N -0.695 120.533 121.223 0.009 0.000 2.027 88 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 88 L C 2.873 179.773 176.870 0.051 0.000 1.074 88 L CA 1.474 56.332 54.840 0.029 0.000 0.745 88 L CB -0.572 41.513 42.059 0.044 0.000 0.898 88 L HN 0.316 nan 8.230 nan 0.000 0.433 89 S N -0.510 115.216 115.700 0.045 0.000 2.370 89 S HA -0.238 4.232 4.470 -0.001 0.000 0.226 89 S C 1.935 176.551 174.600 0.026 0.000 1.033 89 S CA 1.313 59.537 58.200 0.041 0.000 1.011 89 S CB -0.242 62.977 63.200 0.031 0.000 0.852 89 S HN 0.447 nan 8.310 nan 0.000 0.457 90 Q N 0.629 120.438 119.800 0.016 0.000 2.124 90 Q HA -0.019 4.320 4.340 -0.001 0.000 0.202 90 Q C 2.504 178.513 176.000 0.016 0.000 0.977 90 Q CA 1.312 57.122 55.803 0.010 0.000 0.850 90 Q CB -0.345 28.396 28.738 0.004 0.000 0.901 90 Q HN 0.605 nan 8.270 nan 0.000 0.429 91 A N 1.106 123.940 122.820 0.024 0.000 1.930 91 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 91 A C 2.283 179.891 177.584 0.040 0.000 1.175 91 A CA 1.464 53.520 52.037 0.032 0.000 0.627 91 A CB -0.622 18.401 19.000 0.039 0.000 0.815 91 A HN 0.383 nan 8.150 nan 0.000 0.443 92 A N -0.424 122.424 122.820 0.047 0.000 1.898 92 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 92 A C 2.031 179.632 177.584 0.028 0.000 1.181 92 A CA 1.697 53.764 52.037 0.049 0.000 0.620 92 A CB -0.482 18.555 19.000 0.061 0.000 0.819 92 A HN 0.649 nan 8.150 nan 0.000 0.442 93 E N -0.147 120.063 120.200 0.016 0.000 2.031 93 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 93 E C 2.076 178.677 176.600 0.002 0.000 0.994 93 E CA 1.512 57.912 56.400 -0.000 0.000 0.800 93 E CB -0.150 29.547 29.700 -0.005 0.000 0.752 93 E HN 0.588 nan 8.360 nan 0.000 0.447 94 K N 0.032 120.437 120.400 0.007 0.000 2.113 94 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 94 K C 1.769 178.376 176.600 0.012 0.000 1.047 94 K CA 1.351 57.642 56.287 0.008 0.000 0.928 94 K CB -0.158 32.348 32.500 0.010 0.000 0.716 94 K HN 0.152 nan 8.250 nan 0.000 0.446 95 A N -0.297 122.534 122.820 0.019 0.000 2.167 95 A HA 0.177 4.496 4.320 -0.001 0.000 0.214 95 A C 1.354 178.950 177.584 0.020 0.000 1.151 95 A CA 0.928 52.980 52.037 0.024 0.000 0.735 95 A CB -0.303 18.720 19.000 0.038 0.000 0.802 95 A HN 0.582 nan 8.150 nan 0.000 0.467 96 G N -2.189 106.618 108.800 0.012 0.000 2.134 96 G HA2 0.163 4.123 3.960 -0.001 0.000 0.209 96 G HA3 0.163 4.123 3.960 -0.001 0.000 0.209 96 G C 0.358 175.260 174.900 0.003 0.000 0.993 96 G CA 0.149 45.251 45.100 0.004 0.000 0.669 96 G HN 1.497 nan 8.290 nan 0.000 0.519 97 A N 0.061 122.886 122.820 0.009 0.000 2.445 97 A HA 0.528 4.848 4.320 -0.001 0.000 0.242 97 A C 1.242 178.810 177.584 -0.027 0.000 1.075 97 A CA 0.834 52.880 52.037 0.015 0.000 0.777 97 A CB 0.334 19.355 19.000 0.035 0.000 1.013 97 A HN 0.228 nan 8.150 nan 0.000 0.493 98 D N -0.346 120.038 120.400 -0.027 0.000 2.213 98 D HA 0.075 4.715 4.640 -0.001 0.000 0.205 98 D C -0.369 175.675 176.300 -0.428 0.000 0.961 98 D CA 1.694 55.579 54.000 -0.191 0.000 0.853 98 D CB 0.074 40.817 40.800 -0.094 0.000 0.967 98 D HN 0.626 nan 8.370 nan 0.000 0.496 99 Y N -0.723 119.551 120.300 -0.044 0.000 2.644 99 Y HA 0.283 4.832 4.550 -0.001 0.000 0.338 99 Y C 0.366 176.239 175.900 -0.046 0.000 1.119 99 Y CA -1.161 56.897 58.100 -0.072 0.000 1.060 99 Y CB 1.683 40.082 38.460 -0.102 0.000 1.294 99 Y HN -0.328 nan 8.280 nan 0.000 0.472 100 T N -0.465 114.169 114.554 0.132 0.000 2.932 100 T HA 0.711 5.061 4.350 -0.001 0.000 0.289 100 T C -1.662 173.077 174.700 0.065 0.000 1.039 100 T CA -0.781 61.372 62.100 0.089 0.000 1.024 100 T CB 1.811 70.725 68.868 0.077 0.000 1.090 100 T HN 0.498 nan 8.240 nan 0.000 0.496 101 L N 1.661 122.927 121.223 0.071 0.000 2.377 101 L HA 0.698 5.037 4.340 -0.001 0.000 0.270 101 L C -0.507 176.475 176.870 0.186 0.000 0.991 101 L CA -0.168 54.711 54.840 0.065 0.000 0.851 101 L CB 1.768 43.820 42.059 -0.010 0.000 1.218 101 L HN 0.846 nan 8.230 nan 0.000 0.420 102 S N 4.076 119.919 115.700 0.238 0.000 2.640 102 S HA 0.527 4.997 4.470 -0.001 0.000 0.320 102 S C -0.730 174.183 174.600 0.522 0.000 1.097 102 S CA -0.464 57.960 58.200 0.374 0.000 1.092 102 S CB 1.142 64.586 63.200 0.407 0.000 0.988 102 S HN 0.558 nan 8.310 nan 0.000 0.470 103 V N 6.224 126.415 119.914 0.463 0.000 2.775 103 V HA 0.342 4.462 4.120 -0.001 0.000 0.299 103 V C 0.284 176.609 176.094 0.386 0.000 1.062 103 V CA -0.193 62.294 62.300 0.311 0.000 1.063 103 V CB 1.368 33.223 31.823 0.053 0.000 0.994 103 V HN 0.723 nan 8.190 nan 0.000 0.483 104 V N 9.080 129.196 119.914 0.336 0.000 2.681 104 V HA 0.021 4.141 4.120 -0.001 0.000 0.306 104 V C -1.927 174.124 176.094 -0.071 0.000 1.077 104 V CA -0.535 61.853 62.300 0.147 0.000 1.224 104 V CB 0.159 32.060 31.823 0.131 0.000 0.879 104 V HN 0.878 nan 8.190 nan 0.000 0.494 105 P HA 0.071 nan 4.420 nan 0.000 0.264 105 P C -0.973 176.129 177.300 -0.330 0.000 1.183 105 P CA 0.413 63.198 63.100 -0.525 0.000 0.763 105 P CB 0.120 31.427 31.700 -0.656 0.000 0.807 106 Y N 1.772 122.039 120.300 -0.054 0.000 2.488 106 Y HA 0.457 5.007 4.550 -0.001 0.000 0.325 106 Y C 1.371 177.324 175.900 0.089 0.000 1.204 106 Y CA -1.229 56.873 58.100 0.004 0.000 1.229 106 Y CB 0.106 38.580 38.460 0.023 0.000 1.274 106 Y HN 0.507 nan 8.280 nan 0.000 0.493 107 Y N 0.874 121.234 120.300 0.100 0.000 2.760 107 Y HA -0.453 4.096 4.550 -0.000 0.000 0.484 107 Y C 1.315 177.199 175.900 -0.026 0.000 1.172 107 Y CA 2.523 60.657 58.100 0.057 0.000 2.808 107 Y CB -1.491 37.047 38.460 0.128 0.000 0.948 107 Y HN 0.831 nan 8.280 nan 0.000 0.551 108 N N 1.297 119.939 118.700 -0.096 0.000 2.336 108 N HA 0.065 4.804 4.740 -0.001 0.000 0.189 108 N C -0.181 175.232 175.510 -0.162 0.000 1.113 108 N CA 0.977 53.933 53.050 -0.157 0.000 0.858 108 N CB -0.191 38.248 38.487 -0.080 0.000 0.970 108 N HN 0.574 nan 8.380 nan 0.000 0.471 109 K N 0.607 120.916 120.400 -0.151 0.000 3.419 109 K HA -0.112 4.208 4.320 -0.001 0.000 0.272 109 K C -2.182 174.355 176.600 -0.105 0.000 0.973 109 K CA 0.331 56.546 56.287 -0.119 0.000 0.749 109 K CB -1.363 31.066 32.500 -0.119 0.000 1.403 109 K HN 0.460 nan 8.250 nan 0.000 0.456 110 P HA -0.018 nan 4.420 nan 0.000 0.269 110 P C 0.272 177.538 177.300 -0.057 0.000 1.215 110 P CA -0.170 62.871 63.100 -0.098 0.000 0.780 110 P CB 0.830 32.444 31.700 -0.142 0.000 0.898 111 S N 1.250 116.929 115.700 -0.035 0.000 2.606 111 S HA 0.008 4.478 4.470 -0.001 0.000 0.257 111 S C 1.432 176.041 174.600 0.015 0.000 1.327 111 S CA -0.463 57.731 58.200 -0.010 0.000 0.984 111 S CB 0.234 63.431 63.200 -0.006 0.000 0.941 111 S HN 0.396 nan 8.310 nan 0.000 0.576 112 Q N 0.583 120.400 119.800 0.029 0.000 2.112 112 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 112 Q C 2.066 178.124 176.000 0.098 0.000 0.987 112 Q CA 2.244 58.084 55.803 0.062 0.000 0.858 112 Q CB -0.753 28.011 28.738 0.044 0.000 0.905 112 Q HN 0.963 nan 8.270 nan 0.000 0.420 113 E N -0.031 120.210 120.200 0.068 0.000 2.106 113 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 113 E C 1.971 178.655 176.600 0.139 0.000 0.984 113 E CA 1.362 57.823 56.400 0.102 0.000 0.806 113 E CB -0.662 29.066 29.700 0.046 0.000 0.750 113 E HN 0.350 nan 8.360 nan 0.000 0.458 114 G N 0.986 109.826 108.800 0.067 0.000 2.446 114 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 114 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 114 G C 1.688 176.604 174.900 0.026 0.000 1.168 114 G CA 1.149 46.267 45.100 0.030 0.000 0.771 114 G HN 0.338 nan 8.290 nan 0.000 0.551 115 I N -0.695 119.895 120.570 0.032 0.000 2.163 115 I HA -0.207 3.963 4.170 -0.001 0.000 0.243 115 I C 2.458 178.680 176.117 0.175 0.000 1.085 115 I CA 1.448 62.770 61.300 0.036 0.000 1.347 115 I CB -0.370 37.699 38.000 0.116 0.000 1.044 115 I HN 0.246 nan 8.210 nan 0.000 0.408 116 Y N 1.815 122.189 120.300 0.124 0.000 2.097 116 Y HA -0.326 4.224 4.550 -0.001 0.000 0.282 116 Y C 2.716 178.692 175.900 0.127 0.000 1.152 116 Y CA 1.754 59.945 58.100 0.151 0.000 1.136 116 Y CB -0.225 38.292 38.460 0.093 0.000 0.975 116 Y HN 0.160 nan 8.280 nan 0.000 0.498 117 Q N -0.940 118.923 119.800 0.106 0.000 2.167 117 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 117 Q C 2.127 178.100 176.000 -0.045 0.000 0.970 117 Q CA 1.832 57.636 55.803 0.000 0.000 0.855 117 Q CB -0.745 28.043 28.738 0.084 0.000 0.911 117 Q HN 0.710 nan 8.270 nan 0.000 0.438 118 H N 0.176 119.155 119.070 -0.152 0.000 2.267 118 H HA -0.148 4.407 4.556 -0.000 0.000 0.297 118 H C 1.548 176.745 175.328 -0.218 0.000 1.080 118 H CA 1.988 57.883 56.048 -0.255 0.000 1.278 118 H CB -0.248 29.245 29.762 -0.449 0.000 1.365 118 H HN 0.106 nan 8.280 nan 0.000 0.489 119 F N 0.825 120.721 119.950 -0.090 0.000 2.206 119 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 119 F C 2.659 178.336 175.800 -0.204 0.000 1.090 119 F CA 1.335 59.240 58.000 -0.158 0.000 1.323 119 F CB -0.540 38.439 39.000 -0.035 0.000 1.028 119 F HN 0.186 nan 8.300 nan 0.000 0.492 120 K N 0.081 120.407 120.400 -0.123 0.000 2.032 120 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 120 K C 1.927 178.457 176.600 -0.116 0.000 1.048 120 K CA 2.054 58.215 56.287 -0.210 0.000 0.927 120 K CB -0.339 31.902 32.500 -0.432 0.000 0.712 120 K HN 0.175 nan 8.250 nan 0.000 0.441 121 T N 1.437 115.922 114.554 -0.116 0.000 2.746 121 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 121 T C 1.857 176.504 174.700 -0.088 0.000 1.039 121 T CA 1.517 63.564 62.100 -0.089 0.000 1.142 121 T CB -0.163 68.654 68.868 -0.086 0.000 0.866 121 T HN 0.191 nan 8.240 nan 0.000 0.444 122 I N 1.460 121.957 120.570 -0.122 0.000 2.179 122 I HA -0.181 3.989 4.170 -0.001 0.000 0.242 122 I C 2.957 179.053 176.117 -0.035 0.000 1.088 122 I CA 1.182 62.428 61.300 -0.091 0.000 1.357 122 I CB -0.529 37.403 38.000 -0.112 0.000 1.051 122 I HN 0.183 nan 8.210 nan 0.000 0.409 123 A N 0.399 123.208 122.820 -0.018 0.000 1.908 123 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 123 A C 2.161 179.736 177.584 -0.016 0.000 1.181 123 A CA 1.849 53.880 52.037 -0.010 0.000 0.627 123 A CB -0.639 18.357 19.000 -0.007 0.000 0.818 123 A HN 0.491 nan 8.150 nan 0.000 0.445 124 E N -0.748 119.437 120.200 -0.025 0.000 2.418 124 E HA 0.100 4.450 4.350 -0.001 0.000 0.197 124 E C 1.666 178.257 176.600 -0.015 0.000 1.026 124 E CA 0.498 56.887 56.400 -0.017 0.000 0.862 124 E CB -0.093 29.595 29.700 -0.019 0.000 0.799 124 E HN 0.624 nan 8.360 nan 0.000 0.518 125 A N 0.976 123.784 122.820 -0.020 0.000 2.308 125 A HA 0.080 4.399 4.320 -0.001 0.000 0.217 125 A C 0.929 178.505 177.584 -0.013 0.000 1.216 125 A CA 0.380 52.407 52.037 -0.018 0.000 0.864 125 A CB 0.148 19.134 19.000 -0.025 0.000 0.902 125 A HN 0.216 nan 8.150 nan 0.000 0.499 126 T N -5.459 109.088 114.554 -0.012 0.000 2.841 126 T HA 0.559 4.909 4.350 -0.001 0.000 0.296 126 T C 0.329 175.022 174.700 -0.011 0.000 1.166 126 T CA 0.223 62.317 62.100 -0.010 0.000 1.007 126 T CB 1.614 70.477 68.868 -0.009 0.000 1.253 126 T HN -0.154 nan 8.240 nan 0.000 0.511 127 S N -0.399 115.292 115.700 -0.015 0.000 2.524 127 S HA 0.306 4.775 4.470 -0.001 0.000 0.222 127 S C 0.817 175.395 174.600 -0.037 0.000 1.040 127 S CA -0.512 57.676 58.200 -0.019 0.000 0.915 127 S CB -0.224 62.967 63.200 -0.016 0.000 0.831 127 S HN 0.743 nan 8.310 nan 0.000 0.492 128 I N 4.992 125.536 120.570 -0.043 0.000 2.775 128 I HA 0.086 4.256 4.170 -0.001 0.000 0.290 128 I C -2.374 173.691 176.117 -0.087 0.000 1.203 128 I CA -1.923 59.332 61.300 -0.074 0.000 1.433 128 I CB 0.863 38.832 38.000 -0.052 0.000 1.354 128 I HN 0.003 nan 8.210 nan 0.000 0.579 129 P HA 0.097 nan 4.420 nan 0.000 0.271 129 P C -1.047 176.228 177.300 -0.043 0.000 1.216 129 P CA -0.246 62.762 63.100 -0.153 0.000 0.776 129 P CB 0.970 32.474 31.700 -0.326 0.000 0.881 130 M N 3.754 123.327 119.600 -0.045 0.000 2.294 130 M HA 0.427 4.907 4.480 -0.001 0.000 0.335 130 M C -1.030 175.223 176.300 -0.079 0.000 1.079 130 M CA -0.813 54.473 55.300 -0.024 0.000 0.982 130 M CB 0.861 33.451 32.600 -0.017 0.000 1.651 130 M HN 0.143 nan 8.290 nan 0.000 0.437 131 I N 6.998 127.517 120.570 -0.085 0.000 2.304 131 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 131 I C 0.179 176.222 176.117 -0.124 0.000 1.018 131 I CA -0.717 60.487 61.300 -0.159 0.000 1.260 131 I CB 0.604 38.485 38.000 -0.200 0.000 1.390 131 I HN 0.687 nan 8.210 nan 0.000 0.475 132 I N 4.079 124.533 120.570 -0.193 0.000 2.764 132 I HA 0.372 4.542 4.170 -0.001 0.000 0.294 132 I C -1.125 174.988 176.117 -0.007 0.000 1.045 132 I CA -0.443 60.672 61.300 -0.309 0.000 1.340 132 I CB 1.240 38.786 38.000 -0.756 0.000 1.436 132 I HN 0.500 nan 8.210 nan 0.000 0.567 133 Y N 4.316 124.582 120.300 -0.057 0.000 2.317 133 Y HA 0.451 5.000 4.550 -0.000 0.000 0.325 133 Y C -1.473 174.497 175.900 0.117 0.000 1.066 133 Y CA -1.813 56.314 58.100 0.046 0.000 1.203 133 Y CB 0.934 39.435 38.460 0.068 0.000 1.127 133 Y HN 0.768 nan 8.280 nan 0.000 0.451 134 N N 4.068 122.949 118.700 0.301 0.000 2.425 134 N HA 0.503 5.242 4.740 -0.001 0.000 0.268 134 N C -1.685 173.866 175.510 0.069 0.000 0.991 134 N CA -0.156 52.969 53.050 0.125 0.000 0.931 134 N CB 1.492 40.068 38.487 0.148 0.000 1.130 134 N HN 0.429 nan 8.380 nan 0.000 0.493 135 V N 6.875 126.732 119.914 -0.094 0.000 2.670 135 V HA 0.408 4.527 4.120 -0.001 0.000 0.258 135 V C -2.115 173.949 176.094 -0.050 0.000 0.906 135 V CA -1.541 60.716 62.300 -0.072 0.000 0.887 135 V CB 1.492 33.208 31.823 -0.177 0.000 1.059 135 V HN 0.632 nan 8.190 nan 0.000 0.484 136 P HA -0.024 nan 4.420 nan 0.000 0.219 136 P C 1.629 178.925 177.300 -0.008 0.000 1.146 136 P CA 1.628 64.727 63.100 -0.002 0.000 0.808 136 P CB 0.173 31.879 31.700 0.011 0.000 0.779 137 G N -0.463 108.326 108.800 -0.017 0.000 2.498 137 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 137 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 137 G C 1.558 176.448 174.900 -0.016 0.000 1.119 137 G CA 0.425 45.511 45.100 -0.023 0.000 0.766 137 G HN 0.301 nan 8.290 nan 0.000 0.552 138 R N -0.906 119.584 120.500 -0.017 0.000 2.287 138 R HA 0.090 4.430 4.340 -0.001 0.000 0.197 138 R C 2.413 178.733 176.300 0.034 0.000 0.900 138 R CA 1.066 57.164 56.100 -0.002 0.000 1.052 138 R CB 0.143 30.427 30.300 -0.028 0.000 1.117 138 R HN 0.375 nan 8.270 nan 0.000 0.568 139 T N -2.446 112.123 114.554 0.026 0.000 3.044 139 T HA 0.172 4.521 4.350 -0.001 0.000 0.250 139 T C 1.387 176.103 174.700 0.027 0.000 1.081 139 T CA 0.474 62.608 62.100 0.056 0.000 1.040 139 T CB 0.350 69.236 68.868 0.030 0.000 0.962 139 T HN -0.042 nan 8.240 nan 0.000 0.506 140 V N 0.018 119.940 119.914 0.013 0.000 0.550 140 V HA -0.300 3.820 4.120 -0.001 0.000 0.092 140 V C 1.373 177.464 176.094 -0.005 0.000 2.065 140 V CA 1.505 63.805 62.300 -0.001 0.000 3.496 140 V CB -2.429 29.387 31.823 -0.012 0.000 0.788 140 V HN 0.895 nan 8.190 nan 0.000 0.820 141 V N -0.359 119.549 119.914 -0.011 0.000 2.843 141 V HA 0.640 4.760 4.120 -0.001 0.000 0.305 141 V C 0.312 176.412 176.094 0.010 0.000 1.065 141 V CA 0.768 63.064 62.300 -0.007 0.000 1.116 141 V CB 1.526 33.337 31.823 -0.020 0.000 0.968 141 V HN 0.903 nan 8.190 nan 0.000 0.487 142 S N 4.769 120.482 115.700 0.021 0.000 2.519 142 S HA 0.527 4.997 4.470 -0.001 0.000 0.309 142 S C -0.444 174.191 174.600 0.059 0.000 1.100 142 S CA -0.842 57.382 58.200 0.040 0.000 1.059 142 S CB 1.121 64.344 63.200 0.038 0.000 1.008 142 S HN 1.033 nan 8.310 nan 0.000 0.478 143 M N 5.922 125.575 119.600 0.088 0.000 2.251 143 M HA 0.188 4.667 4.480 -0.001 0.000 0.346 143 M C 0.568 176.929 176.300 0.102 0.000 1.499 143 M CA -0.146 55.225 55.300 0.118 0.000 1.128 143 M CB 0.130 32.838 32.600 0.180 0.000 1.809 143 M HN 0.828 nan 8.290 nan 0.000 0.464 144 T N 1.823 116.427 114.554 0.084 0.000 2.802 144 T HA 0.159 4.509 4.350 -0.001 0.000 0.305 144 T C 1.044 175.788 174.700 0.073 0.000 1.053 144 T CA -0.659 61.481 62.100 0.066 0.000 1.058 144 T CB 0.546 69.442 68.868 0.046 0.000 0.988 144 T HN 0.725 nan 8.240 nan 0.000 0.539 145 N N 1.347 120.084 118.700 0.062 0.000 2.094 145 N HA -0.130 4.609 4.740 -0.001 0.000 0.191 145 N C 1.409 176.941 175.510 0.037 0.000 1.023 145 N CA 1.530 54.613 53.050 0.056 0.000 0.857 145 N CB -0.719 37.795 38.487 0.044 0.000 1.013 145 N HN 0.667 nan 8.380 nan 0.000 0.426 146 D N -0.116 120.299 120.400 0.026 0.000 2.133 146 D HA -0.111 4.529 4.640 -0.001 0.000 0.195 146 D C 1.755 178.068 176.300 0.022 0.000 0.997 146 D CA 1.303 55.309 54.000 0.011 0.000 0.840 146 D CB -0.604 40.197 40.800 0.002 0.000 0.947 146 D HN 0.272 nan 8.370 nan 0.000 0.452 147 T N 0.607 115.194 114.554 0.055 0.000 2.777 147 T HA -0.035 4.314 4.350 -0.001 0.000 0.266 147 T C 2.231 177.008 174.700 0.127 0.000 1.040 147 T CA 0.448 62.612 62.100 0.106 0.000 1.141 147 T CB -0.203 68.751 68.868 0.144 0.000 0.868 147 T HN 0.133 nan 8.240 nan 0.000 0.444 148 I N 0.928 121.557 120.570 0.099 0.000 2.151 148 I HA -0.181 3.988 4.170 -0.001 0.000 0.243 148 I C 2.185 178.276 176.117 -0.044 0.000 1.080 148 I CA 1.343 62.689 61.300 0.076 0.000 1.339 148 I CB -0.412 37.658 38.000 0.116 0.000 1.039 148 I HN 0.194 nan 8.210 nan 0.000 0.409 149 L N -0.163 121.023 121.223 -0.063 0.000 2.141 149 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 149 L C 2.713 179.524 176.870 -0.100 0.000 1.094 149 L CA 1.134 55.886 54.840 -0.147 0.000 0.763 149 L CB -0.549 41.455 42.059 -0.091 0.000 0.908 149 L HN 0.147 nan 8.230 nan 0.000 0.437 150 R N 0.110 120.608 120.500 -0.004 0.000 2.073 150 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 150 R C 2.279 178.674 176.300 0.158 0.000 1.134 150 R CA 1.276 57.418 56.100 0.069 0.000 0.952 150 R CB -0.449 29.893 30.300 0.070 0.000 0.850 150 R HN 0.312 nan 8.270 nan 0.000 0.433 151 L N 0.157 121.476 121.223 0.159 0.000 2.201 151 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 151 L C 2.490 179.354 176.870 -0.009 0.000 1.105 151 L CA 0.775 55.680 54.840 0.108 0.000 0.775 151 L CB -0.426 41.692 42.059 0.099 0.000 0.913 151 L HN 0.249 nan 8.230 nan 0.000 0.440 152 A N -0.122 122.574 122.820 -0.207 0.000 2.125 152 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 152 A C 2.033 179.521 177.584 -0.160 0.000 1.156 152 A CA 1.192 52.950 52.037 -0.465 0.000 0.671 152 A CB -0.342 17.976 19.000 -1.136 0.000 0.794 152 A HN 0.496 nan 8.150 nan 0.000 0.459 153 E N -0.380 119.783 120.200 -0.062 0.000 2.347 153 E HA 0.043 4.392 4.350 -0.001 0.000 0.196 153 E C -0.140 176.485 176.600 0.043 0.000 1.008 153 E CA 0.019 56.422 56.400 0.005 0.000 0.852 153 E CB -0.085 29.631 29.700 0.027 0.000 0.783 153 E HN 0.648 nan 8.360 nan 0.000 0.505 154 I N 3.194 123.793 120.570 0.049 0.000 2.416 154 I HA 0.002 4.172 4.170 -0.001 0.000 0.288 154 I C -1.288 174.869 176.117 0.067 0.000 1.051 154 I CA -1.757 59.573 61.300 0.050 0.000 1.375 154 I CB 0.834 38.849 38.000 0.026 0.000 1.407 154 I HN -0.145 nan 8.210 nan 0.000 0.516 155 P HA -0.178 nan 4.420 nan 0.000 0.215 155 P C 0.573 177.918 177.300 0.076 0.000 1.153 155 P CA 1.539 64.689 63.100 0.083 0.000 0.853 155 P CB -0.108 31.632 31.700 0.067 0.000 0.788 156 N N -0.370 118.352 118.700 0.038 0.000 2.268 156 N HA 0.044 4.783 4.740 -0.001 0.000 0.204 156 N C 0.185 175.686 175.510 -0.016 0.000 1.124 156 N CA -0.161 52.887 53.050 -0.004 0.000 0.838 156 N CB -0.616 37.862 38.487 -0.016 0.000 0.994 156 N HN 0.222 nan 8.380 nan 0.000 0.489 157 I N 1.711 122.303 120.570 0.036 0.000 2.291 157 I HA 0.077 4.247 4.170 -0.001 0.000 0.290 157 I C 1.067 177.286 176.117 0.170 0.000 1.050 157 I CA -0.651 60.691 61.300 0.070 0.000 1.245 157 I CB 1.539 39.596 38.000 0.094 0.000 1.405 157 I HN -0.086 nan 8.210 nan 0.000 0.478 158 V N 2.383 122.267 119.914 -0.050 0.000 3.605 158 V HA 0.674 4.794 4.120 -0.001 0.000 0.284 158 V C 0.591 176.309 176.094 -0.626 0.000 1.386 158 V CA 0.353 62.527 62.300 -0.209 0.000 1.053 158 V CB 0.082 31.550 31.823 -0.592 0.000 0.857 158 V HN 0.757 nan 8.190 nan 0.000 0.436 159 G N -1.007 107.287 108.800 -0.844 0.000 2.488 159 G HA2 0.527 4.487 3.960 -0.001 0.000 0.301 159 G HA3 0.527 4.487 3.960 -0.001 0.000 0.301 159 G C -1.983 172.492 174.900 -0.708 0.000 1.339 159 G CA 0.094 44.401 45.100 -1.321 0.000 0.803 159 G HN 0.786 nan 8.290 nan 0.000 0.482 160 V N -0.170 119.476 119.914 -0.446 0.000 2.808 160 V HA 0.766 4.885 4.120 -0.001 0.000 0.308 160 V C -0.795 175.263 176.094 -0.059 0.000 1.099 160 V CA -0.949 61.298 62.300 -0.088 0.000 0.920 160 V CB 1.804 33.723 31.823 0.159 0.000 1.014 160 V HN 0.867 nan 8.190 nan 0.000 0.425 161 K N 4.869 125.244 120.400 -0.042 0.000 2.253 161 K HA 0.415 4.735 4.320 -0.001 0.000 0.277 161 K C -0.648 176.011 176.600 0.099 0.000 1.053 161 K CA -0.407 55.837 56.287 -0.072 0.000 0.892 161 K CB 0.877 33.182 32.500 -0.325 0.000 1.102 161 K HN 0.658 nan 8.250 nan 0.000 0.469 162 E N 3.767 124.012 120.200 0.074 0.000 2.102 162 E HA 0.249 4.599 4.350 -0.001 0.000 0.263 162 E C -0.618 176.031 176.600 0.082 0.000 0.894 162 E CA -0.183 56.305 56.400 0.147 0.000 0.746 162 E CB 1.635 31.472 29.700 0.229 0.000 1.129 162 E HN 0.755 nan 8.360 nan 0.000 0.416 163 A N 2.872 125.773 122.820 0.134 0.000 2.348 163 A HA -0.002 4.318 4.320 -0.001 0.000 0.224 163 A C 1.800 179.413 177.584 0.049 0.000 1.227 163 A CA 0.632 52.720 52.037 0.085 0.000 0.885 163 A CB -0.018 19.101 19.000 0.198 0.000 0.933 163 A HN 0.523 nan 8.150 nan 0.000 0.506 164 S N -0.551 115.189 115.700 0.067 0.000 2.383 164 S HA 0.112 4.581 4.470 -0.001 0.000 0.229 164 S C 1.755 176.377 174.600 0.037 0.000 1.030 164 S CA 1.510 59.738 58.200 0.048 0.000 1.002 164 S CB -0.795 62.443 63.200 0.063 0.000 0.829 164 S HN 1.910 nan 8.310 nan 0.000 0.467 165 G N 1.597 110.431 108.800 0.055 0.000 2.155 165 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.257 165 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.257 165 G C 0.040 174.981 174.900 0.068 0.000 0.983 165 G CA 0.244 45.380 45.100 0.059 0.000 0.676 165 G HN 0.699 nan 8.290 nan 0.000 0.528 166 N N 1.005 119.750 118.700 0.076 0.000 2.807 166 N HA 0.235 4.975 4.740 -0.001 0.000 0.259 166 N C 1.707 177.266 175.510 0.082 0.000 1.149 166 N CA -0.578 52.510 53.050 0.065 0.000 1.042 166 N CB -0.167 38.352 38.487 0.054 0.000 1.367 166 N HN 0.178 nan 8.380 nan 0.000 0.516 167 I N 1.215 121.833 120.570 0.080 0.000 2.361 167 I HA -0.136 4.034 4.170 -0.001 0.000 0.251 167 I C 2.141 178.280 176.117 0.037 0.000 1.133 167 I CA 0.839 62.189 61.300 0.083 0.000 1.413 167 I CB -1.205 36.844 38.000 0.081 0.000 1.073 167 I HN 0.472 nan 8.210 nan 0.000 0.424 168 G N -0.021 108.796 108.800 0.029 0.000 2.446 168 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.217 168 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.217 168 G C 1.854 176.762 174.900 0.013 0.000 1.168 168 G CA 1.169 46.278 45.100 0.014 0.000 0.771 168 G HN 0.430 nan 8.290 nan 0.000 0.551 169 S N 0.837 116.553 115.700 0.028 0.000 2.383 169 S HA -0.133 4.336 4.470 -0.001 0.000 0.227 169 S C 2.332 176.954 174.600 0.036 0.000 1.026 169 S CA 1.602 59.822 58.200 0.034 0.000 0.981 169 S CB -0.409 62.819 63.200 0.046 0.000 0.818 169 S HN 0.380 nan 8.310 nan 0.000 0.472 170 N N 1.616 120.347 118.700 0.051 0.000 2.149 170 N HA -0.018 4.722 4.740 -0.001 0.000 0.188 170 N C 1.712 177.166 175.510 -0.094 0.000 1.019 170 N CA 1.435 54.502 53.050 0.028 0.000 0.857 170 N CB -0.567 37.983 38.487 0.106 0.000 0.997 170 N HN 0.487 nan 8.380 nan 0.000 0.426 171 I N 1.552 122.071 120.570 -0.086 0.000 2.226 171 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 171 I C 2.066 178.142 176.117 -0.068 0.000 1.100 171 I CA 1.090 62.325 61.300 -0.108 0.000 1.374 171 I CB -0.169 37.787 38.000 -0.074 0.000 1.057 171 I HN 0.159 nan 8.210 nan 0.000 0.413 172 E N 0.399 120.580 120.200 -0.032 0.000 2.077 172 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 172 E C 2.128 178.725 176.600 -0.005 0.000 0.989 172 E CA 1.223 57.615 56.400 -0.014 0.000 0.800 172 E CB -0.211 29.488 29.700 -0.001 0.000 0.746 172 E HN 0.305 nan 8.360 nan 0.000 0.452 173 L N 1.243 122.470 121.223 0.007 0.000 2.017 173 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 173 L C 2.124 179.016 176.870 0.036 0.000 1.073 173 L CA 1.484 56.347 54.840 0.039 0.000 0.745 173 L CB -0.321 41.787 42.059 0.081 0.000 0.894 173 L HN 0.082 nan 8.230 nan 0.000 0.432 174 I N 0.018 120.569 120.570 -0.032 0.000 2.208 174 I HA -0.344 3.826 4.170 -0.001 0.000 0.245 174 I C 1.959 178.068 176.117 -0.013 0.000 1.097 174 I CA 1.476 62.745 61.300 -0.053 0.000 1.363 174 I CB -0.500 37.373 38.000 -0.211 0.000 1.051 174 I HN 0.388 nan 8.210 nan 0.000 0.413 175 N N 0.550 119.234 118.700 -0.027 0.000 2.270 175 N HA -0.078 4.661 4.740 -0.001 0.000 0.181 175 N C 1.825 177.339 175.510 0.007 0.000 1.016 175 N CA 1.021 54.062 53.050 -0.014 0.000 0.870 175 N CB -0.172 38.301 38.487 -0.023 0.000 0.979 175 N HN 0.323 nan 8.380 nan 0.000 0.431 176 R N 0.317 120.824 120.500 0.012 0.000 2.210 176 R HA 0.282 4.622 4.340 -0.001 0.000 0.203 176 R C 0.521 176.832 176.300 0.018 0.000 1.010 176 R CA 0.070 56.176 56.100 0.010 0.000 1.008 176 R CB 0.099 30.401 30.300 0.002 0.000 0.923 176 R HN 0.050 nan 8.270 nan 0.000 0.469 177 A N 3.348 126.201 122.820 0.055 0.000 2.511 177 A HA 0.171 4.491 4.320 -0.001 0.000 0.242 177 A C -1.947 175.687 177.584 0.082 0.000 1.069 177 A CA -1.076 51.010 52.037 0.083 0.000 0.763 177 A CB -0.228 18.929 19.000 0.261 0.000 1.001 177 A HN 0.023 nan 8.150 nan 0.000 0.498 178 P HA 0.057 nan 4.420 nan 0.000 0.269 178 P C -0.152 177.234 177.300 0.144 0.000 1.215 178 P CA -0.296 62.840 63.100 0.060 0.000 0.780 178 P CB 0.381 32.087 31.700 0.010 0.000 0.898 179 E N 0.608 120.875 120.200 0.112 0.000 2.480 179 E HA 0.156 4.506 4.350 -0.001 0.000 0.258 179 E C 1.085 177.771 176.600 0.145 0.000 0.984 179 E CA 0.913 57.386 56.400 0.121 0.000 0.930 179 E CB -0.609 29.138 29.700 0.077 0.000 0.936 179 E HN 0.781 nan 8.360 nan 0.000 0.466 180 G N 4.167 113.062 108.800 0.157 0.000 2.217 180 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.246 180 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.246 180 G C -0.021 175.006 174.900 0.213 0.000 0.990 180 G CA 0.038 45.221 45.100 0.140 0.000 0.627 180 G HN 0.578 nan 8.290 nan 0.000 0.522 181 F N 2.282 122.276 119.950 0.072 0.000 2.471 181 F HA 0.588 5.115 4.527 -0.001 0.000 0.365 181 F C 0.756 176.514 175.800 -0.069 0.000 1.095 181 F CA -0.452 57.572 58.000 0.040 0.000 1.174 181 F CB 1.212 40.244 39.000 0.053 0.000 1.105 181 F HN 0.094 nan 8.300 nan 0.000 0.535 182 V N 7.801 127.370 119.914 -0.575 0.000 2.530 182 V HA 0.360 4.479 4.120 -0.001 0.000 0.282 182 V C -0.805 175.062 176.094 -0.378 0.000 1.048 182 V CA -0.309 61.599 62.300 -0.654 0.000 0.997 182 V CB 1.334 32.830 31.823 -0.545 0.000 0.987 182 V HN 0.525 nan 8.190 nan 0.000 0.477 183 V N 8.307 128.282 119.914 0.103 0.000 2.350 183 V HA 0.474 4.594 4.120 -0.001 0.000 0.285 183 V C -0.184 176.165 176.094 0.426 0.000 1.014 183 V CA -0.467 62.002 62.300 0.281 0.000 0.831 183 V CB 1.254 33.291 31.823 0.358 0.000 1.000 183 V HN 0.669 nan 8.190 nan 0.000 0.433 184 L N 3.186 124.533 121.223 0.207 0.000 2.334 184 L HA 0.581 4.920 4.340 -0.001 0.000 0.276 184 L C 0.500 177.147 176.870 -0.372 0.000 1.014 184 L CA -0.349 54.490 54.840 -0.001 0.000 0.815 184 L CB 2.106 44.091 42.059 -0.122 0.000 1.268 184 L HN 0.624 nan 8.230 nan 0.000 0.428 185 S N 0.845 115.968 115.700 -0.962 0.000 2.565 185 S HA 0.398 4.868 4.470 -0.001 0.000 0.276 185 S C 0.726 175.043 174.600 -0.471 0.000 1.326 185 S CA -0.073 57.435 58.200 -1.153 0.000 1.045 185 S CB 0.968 63.435 63.200 -1.222 0.000 0.918 185 S HN 0.806 nan 8.310 nan 0.000 0.505 186 G N 2.456 111.069 108.800 -0.312 0.000 3.774 186 G HA2 0.246 4.205 3.960 -0.001 0.000 0.287 186 G HA3 0.246 4.205 3.960 -0.001 0.000 0.287 186 G C -0.634 174.191 174.900 -0.125 0.000 1.030 186 G CA -0.339 44.652 45.100 -0.182 0.000 0.824 186 G HN 0.680 nan 8.290 nan 0.000 0.518 187 D N -0.172 120.130 120.400 -0.163 0.000 2.473 187 D HA 0.235 4.875 4.640 -0.001 0.000 0.253 187 D C 0.576 176.773 176.300 -0.170 0.000 1.233 187 D CA -0.562 53.365 54.000 -0.121 0.000 0.908 187 D CB 1.285 42.052 40.800 -0.054 0.000 1.170 187 D HN -0.139 nan 8.370 nan 0.000 0.558 188 D N 1.576 121.828 120.400 -0.247 0.000 2.149 188 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 188 D C 1.399 177.212 176.300 -0.812 0.000 0.990 188 D CA 0.986 54.697 54.000 -0.482 0.000 0.839 188 D CB 0.104 40.595 40.800 -0.516 0.000 0.948 188 D HN 0.624 nan 8.370 nan 0.000 0.460 189 H N -0.028 118.780 119.070 -0.436 0.000 2.422 189 H HA -0.071 4.485 4.556 -0.001 0.000 0.298 189 H C 1.649 176.894 175.328 -0.138 0.000 1.098 189 H CA 1.748 57.646 56.048 -0.250 0.000 1.315 189 H CB 0.010 29.738 29.762 -0.057 0.000 1.382 189 H HN 0.279 nan 8.280 nan 0.000 0.523 190 T N -3.165 111.389 114.554 0.001 0.000 3.200 190 T HA 0.563 4.913 4.350 -0.001 0.000 0.284 190 T C 1.806 176.534 174.700 0.045 0.000 1.009 190 T CA 0.304 62.434 62.100 0.051 0.000 0.907 190 T CB 0.301 69.224 68.868 0.093 0.000 1.120 190 T HN 0.240 nan 8.240 nan 0.000 0.534 191 A N 1.915 124.709 122.820 -0.043 0.000 1.883 191 A HA 0.036 4.355 4.320 -0.001 0.000 0.217 191 A C 2.114 179.734 177.584 0.060 0.000 1.186 191 A CA 1.690 53.720 52.037 -0.012 0.000 0.624 191 A CB -0.882 18.132 19.000 0.024 0.000 0.822 191 A HN 0.502 nan 8.150 nan 0.000 0.444 192 L N 0.818 122.067 121.223 0.044 0.000 1.956 192 L HA -0.107 4.233 4.340 -0.001 0.000 0.216 192 L C -0.543 176.374 176.870 0.078 0.000 1.073 192 L CA 2.976 57.845 54.840 0.049 0.000 0.762 192 L CB -1.263 40.832 42.059 0.059 0.000 0.889 192 L HN 0.244 nan 8.230 nan 0.000 0.433 193 P HA -0.218 nan 4.420 nan 0.000 0.218 193 P C 1.882 179.247 177.300 0.107 0.000 1.149 193 P CA 1.462 64.610 63.100 0.080 0.000 0.817 193 P CB -0.378 31.368 31.700 0.076 0.000 0.785 194 F N 0.659 120.607 119.950 -0.003 0.000 2.095 194 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 194 F C 2.433 178.221 175.800 -0.019 0.000 1.104 194 F CA 1.823 59.821 58.000 -0.004 0.000 1.232 194 F CB -0.704 38.299 39.000 0.005 0.000 0.987 194 F HN -0.272 nan 8.300 nan 0.000 0.475 195 M N -0.479 119.287 119.600 0.277 0.000 2.200 195 M HA -0.159 4.321 4.480 -0.001 0.000 0.265 195 M C 2.184 178.492 176.300 0.013 0.000 1.066 195 M CA 1.300 56.678 55.300 0.131 0.000 1.127 195 M CB -0.495 32.163 32.600 0.097 0.000 1.379 195 M HN 0.184 nan 8.290 nan 0.000 0.420 196 L N -0.788 120.443 121.223 0.013 0.000 2.191 196 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 196 L C 1.905 178.748 176.870 -0.045 0.000 1.103 196 L CA 0.667 55.498 54.840 -0.015 0.000 0.769 196 L CB -0.567 41.490 42.059 -0.003 0.000 0.908 196 L HN 0.415 nan 8.230 nan 0.000 0.438 197 C N 0.104 119.362 119.300 -0.070 0.000 2.673 197 C HA 0.375 4.835 4.460 -0.001 0.000 0.274 197 C C 1.685 176.578 174.990 -0.162 0.000 1.276 197 C CA 0.391 59.343 59.018 -0.109 0.000 1.701 197 C CB -1.004 26.663 27.740 -0.121 0.000 1.836 197 C HN 0.825 nan 8.230 nan 0.000 0.596 198 G N -0.077 108.622 108.800 -0.169 0.000 2.205 198 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.180 198 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.180 198 G C 0.380 175.100 174.900 -0.300 0.000 1.004 198 G CA -0.184 44.791 45.100 -0.207 0.000 0.670 198 G HN 0.720 nan 8.290 nan 0.000 0.496 199 G N -0.884 107.750 108.800 -0.277 0.000 2.594 199 G HA2 0.446 4.405 3.960 -0.001 0.000 0.243 199 G HA3 0.446 4.405 3.960 -0.001 0.000 0.243 199 G C 0.426 175.319 174.900 -0.012 0.000 1.229 199 G CA 0.320 45.352 45.100 -0.114 0.000 0.843 199 G HN 0.393 nan 8.290 nan 0.000 0.578 200 H N -0.439 118.752 119.070 0.201 0.000 2.562 200 H HA 0.365 4.920 4.556 -0.001 0.000 0.267 200 H C 1.427 176.802 175.328 0.077 0.000 0.959 200 H CA 1.069 57.177 56.048 0.099 0.000 1.204 200 H CB 0.779 30.574 29.762 0.055 0.000 1.430 200 H HN 0.855 nan 8.280 nan 0.000 0.545 201 G N -0.920 108.004 108.800 0.207 0.000 2.336 201 G HA2 0.346 4.306 3.960 -0.001 0.000 0.286 201 G HA3 0.346 4.306 3.960 -0.001 0.000 0.286 201 G C -1.867 173.041 174.900 0.015 0.000 1.269 201 G CA -0.362 44.796 45.100 0.096 0.000 0.873 201 G HN 0.030 nan 8.290 nan 0.000 0.494 202 V N 0.315 120.229 119.914 -0.000 0.000 2.733 202 V HA 0.517 4.637 4.120 -0.001 0.000 0.306 202 V C -0.380 175.669 176.094 -0.074 0.000 1.084 202 V CA -0.493 61.775 62.300 -0.053 0.000 0.905 202 V CB 1.794 33.702 31.823 0.142 0.000 1.010 202 V HN 0.711 nan 8.190 nan 0.000 0.424 203 I N 3.585 124.055 120.570 -0.167 0.000 2.291 203 I HA 0.434 4.604 4.170 -0.001 0.000 0.292 203 I C 0.324 176.324 176.117 -0.194 0.000 1.064 203 I CA 0.306 61.491 61.300 -0.190 0.000 1.269 203 I CB 1.397 39.243 38.000 -0.258 0.000 1.418 203 I HN 0.734 nan 8.210 nan 0.000 0.485 204 T N 4.790 119.214 114.554 -0.216 0.000 2.841 204 T HA 0.402 4.751 4.350 -0.001 0.000 0.283 204 T C 0.681 175.209 174.700 -0.286 0.000 1.000 204 T CA -0.583 61.325 62.100 -0.320 0.000 0.977 204 T CB 1.769 70.224 68.868 -0.688 0.000 0.979 204 T HN 0.224 nan 8.240 nan 0.000 0.446 205 V N 4.292 124.081 119.914 -0.208 0.000 2.599 205 V HA 0.152 4.272 4.120 -0.001 0.000 0.245 205 V C 2.894 178.864 176.094 -0.207 0.000 1.046 205 V CA 1.559 63.763 62.300 -0.160 0.000 1.065 205 V CB -0.916 30.853 31.823 -0.090 0.000 0.703 205 V HN 1.009 nan 8.190 nan 0.000 0.464 206 A N 0.586 123.258 122.820 -0.245 0.000 1.986 206 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 206 A C 2.357 179.807 177.584 -0.222 0.000 1.171 206 A CA 2.053 53.992 52.037 -0.164 0.000 0.640 206 A CB -0.687 18.338 19.000 0.041 0.000 0.811 206 A HN 0.584 nan 8.150 nan 0.000 0.451 207 A N 0.092 122.636 122.820 -0.460 0.000 2.070 207 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 207 A C 1.859 179.453 177.584 0.017 0.000 1.159 207 A CA 1.426 53.326 52.037 -0.229 0.000 0.656 207 A CB -0.669 18.179 19.000 -0.254 0.000 0.800 207 A HN 0.622 nan 8.150 nan 0.000 0.453 208 N N 0.240 118.954 118.700 0.024 0.000 2.205 208 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 208 N C 1.673 177.315 175.510 0.221 0.000 1.015 208 N CA 1.570 54.724 53.050 0.174 0.000 0.862 208 N CB -0.186 38.343 38.487 0.071 0.000 0.986 208 N HN 0.538 nan 8.380 nan 0.000 0.429 209 A N -0.543 122.347 122.820 0.117 0.000 2.169 209 A HA 0.516 4.835 4.320 -0.001 0.000 0.210 209 A C 0.903 178.572 177.584 0.142 0.000 1.168 209 A CA 0.612 52.735 52.037 0.143 0.000 0.813 209 A CB 0.509 19.551 19.000 0.070 0.000 0.861 209 A HN 0.181 nan 8.150 nan 0.000 0.481 210 A N -0.134 122.718 122.820 0.054 0.000 3.422 210 A HA 0.550 4.870 4.320 -0.001 0.000 0.271 210 A C -1.924 175.629 177.584 -0.051 0.000 1.104 210 A CA -0.540 51.508 52.037 0.019 0.000 0.899 210 A CB 0.368 19.403 19.000 0.060 0.000 1.309 210 A HN 0.086 nan 8.150 nan 0.000 0.580 211 P HA -0.205 nan 4.420 nan 0.000 0.216 211 P C 1.416 178.628 177.300 -0.147 0.000 1.153 211 P CA 1.279 64.207 63.100 -0.288 0.000 0.848 211 P CB 0.319 31.521 31.700 -0.830 0.000 0.787 212 K N -0.564 119.721 120.400 -0.191 0.000 2.062 212 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 212 K C 2.171 178.751 176.600 -0.033 0.000 1.051 212 K CA 0.784 57.008 56.287 -0.106 0.000 0.941 212 K CB -0.573 31.865 32.500 -0.104 0.000 0.719 212 K HN -0.073 nan 8.250 nan 0.000 0.440 213 L N 0.749 121.968 121.223 -0.007 0.000 2.017 213 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 213 L C 2.011 178.907 176.870 0.044 0.000 1.073 213 L CA 1.637 56.486 54.840 0.016 0.000 0.745 213 L CB -0.724 41.350 42.059 0.025 0.000 0.894 213 L HN 0.197 nan 8.230 nan 0.000 0.432 214 F N 0.060 119.996 119.950 -0.023 0.000 2.146 214 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 214 F C 2.323 178.123 175.800 -0.001 0.000 1.096 214 F CA 1.441 59.448 58.000 0.012 0.000 1.275 214 F CB -0.414 38.605 39.000 0.031 0.000 1.008 214 F HN 0.163 nan 8.300 nan 0.000 0.480 215 A N -0.275 122.624 122.820 0.132 0.000 1.933 215 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 215 A C 1.910 179.469 177.584 -0.040 0.000 1.175 215 A CA 1.985 54.049 52.037 0.044 0.000 0.628 215 A CB -0.856 18.166 19.000 0.036 0.000 0.814 215 A HN 0.390 nan 8.150 nan 0.000 0.444 216 D N -0.916 119.456 120.400 -0.047 0.000 2.144 216 D HA -0.121 4.519 4.640 -0.001 0.000 0.200 216 D C 1.880 178.127 176.300 -0.089 0.000 0.978 216 D CA 1.024 54.990 54.000 -0.056 0.000 0.833 216 D CB -0.320 40.455 40.800 -0.042 0.000 0.961 216 D HN 0.338 nan 8.370 nan 0.000 0.470 217 M N 0.423 119.936 119.600 -0.145 0.000 2.086 217 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 217 M C 1.978 178.153 176.300 -0.209 0.000 1.067 217 M CA 1.224 56.409 55.300 -0.192 0.000 1.116 217 M CB -0.660 31.769 32.600 -0.284 0.000 1.348 217 M HN 0.079 nan 8.290 nan 0.000 0.407 218 C N -0.137 119.000 119.300 -0.272 0.000 2.429 218 C HA -0.124 4.336 4.460 -0.001 0.000 0.277 218 C C 2.881 177.819 174.990 -0.087 0.000 1.262 218 C CA 1.130 60.036 59.018 -0.187 0.000 1.733 218 C CB -1.220 26.434 27.740 -0.144 0.000 2.010 218 C HN 0.595 nan 8.230 nan 0.000 0.483 219 R N 1.084 121.543 120.500 -0.069 0.000 2.075 219 R HA -0.102 4.238 4.340 -0.001 0.000 0.232 219 R C 2.233 178.511 176.300 -0.037 0.000 1.126 219 R CA 1.666 57.742 56.100 -0.039 0.000 0.963 219 R CB -0.374 29.908 30.300 -0.030 0.000 0.858 219 R HN 0.475 nan 8.270 nan 0.000 0.435 220 A N 0.748 123.539 122.820 -0.048 0.000 1.902 220 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 220 A C 2.354 179.916 177.584 -0.035 0.000 1.181 220 A CA 1.642 53.656 52.037 -0.039 0.000 0.623 220 A CB -0.774 18.200 19.000 -0.042 0.000 0.818 220 A HN 0.534 nan 8.150 nan 0.000 0.443 221 A N -0.363 122.429 122.820 -0.046 0.000 1.902 221 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 221 A C 2.140 179.709 177.584 -0.025 0.000 1.181 221 A CA 1.517 53.534 52.037 -0.034 0.000 0.623 221 A CB -0.578 18.398 19.000 -0.041 0.000 0.818 221 A HN 0.464 nan 8.150 nan 0.000 0.443 222 L N -1.107 120.101 121.223 -0.024 0.000 2.217 222 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 222 L C 2.559 179.419 176.870 -0.017 0.000 1.107 222 L CA 0.954 55.784 54.840 -0.016 0.000 0.783 222 L CB -0.323 41.733 42.059 -0.005 0.000 0.919 222 L HN 0.462 nan 8.230 nan 0.000 0.442 223 Q N -0.255 119.535 119.800 -0.017 0.000 2.432 223 Q HA 0.065 4.404 4.340 -0.001 0.000 0.205 223 Q C 1.287 177.278 176.000 -0.016 0.000 0.945 223 Q CA 0.565 56.359 55.803 -0.014 0.000 0.924 223 Q CB 0.398 29.128 28.738 -0.013 0.000 1.016 223 Q HN 0.563 nan 8.270 nan 0.000 0.503 224 G N 1.880 110.669 108.800 -0.018 0.000 2.137 224 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.237 224 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.237 224 G C -0.331 174.560 174.900 -0.015 0.000 1.002 224 G CA 0.201 45.291 45.100 -0.017 0.000 0.702 224 G HN 0.340 nan 8.290 nan 0.000 0.515 225 D N 0.474 120.865 120.400 -0.016 0.000 2.470 225 D HA 0.357 4.996 4.640 -0.001 0.000 0.226 225 D C 1.811 178.103 176.300 -0.013 0.000 1.196 225 D CA -0.479 53.513 54.000 -0.014 0.000 0.979 225 D CB -0.294 40.497 40.800 -0.015 0.000 1.059 225 D HN 0.352 nan 8.370 nan 0.000 0.515 226 I N 2.040 122.604 120.570 -0.010 0.000 2.179 226 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 226 I C 2.392 178.506 176.117 -0.006 0.000 1.088 226 I CA 0.962 62.258 61.300 -0.007 0.000 1.357 226 I CB -0.099 37.899 38.000 -0.005 0.000 1.051 226 I HN 0.357 nan 8.210 nan 0.000 0.409 227 A N 0.699 123.516 122.820 -0.005 0.000 1.908 227 A HA -0.235 4.084 4.320 -0.001 0.000 0.218 227 A C 2.251 179.831 177.584 -0.006 0.000 1.181 227 A CA 1.703 53.738 52.037 -0.004 0.000 0.627 227 A CB -0.822 18.176 19.000 -0.004 0.000 0.818 227 A HN 0.390 nan 8.150 nan 0.000 0.445 228 L N -0.381 120.836 121.223 -0.010 0.000 2.056 228 L HA 0.018 4.358 4.340 -0.001 0.000 0.207 228 L C 2.680 179.538 176.870 -0.020 0.000 1.078 228 L CA 2.127 56.958 54.840 -0.015 0.000 0.749 228 L CB -0.912 41.137 42.059 -0.017 0.000 0.901 228 L HN 0.339 nan 8.230 nan 0.000 0.433 229 A N -0.292 122.515 122.820 -0.021 0.000 1.908 229 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 229 A C 2.426 180.001 177.584 -0.014 0.000 1.181 229 A CA 1.934 53.954 52.037 -0.028 0.000 0.627 229 A CB -0.571 18.413 19.000 -0.026 0.000 0.818 229 A HN 0.506 nan 8.150 nan 0.000 0.445 230 R N -0.741 119.758 120.500 -0.002 0.000 2.096 230 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 230 R C 2.342 178.647 176.300 0.008 0.000 1.127 230 R CA 1.441 57.548 56.100 0.011 0.000 0.968 230 R CB -0.270 30.038 30.300 0.013 0.000 0.861 230 R HN 0.804 nan 8.270 nan 0.000 0.440 231 E N 1.064 121.263 120.200 -0.002 0.000 2.047 231 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 231 E C 1.950 178.543 176.600 -0.012 0.000 0.987 231 E CA 0.902 57.299 56.400 -0.005 0.000 0.799 231 E CB 0.068 29.763 29.700 -0.007 0.000 0.752 231 E HN 0.285 nan 8.360 nan 0.000 0.449 232 L N 1.237 122.449 121.223 -0.020 0.000 2.093 232 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 232 L C 2.745 179.597 176.870 -0.030 0.000 1.085 232 L CA 0.992 55.814 54.840 -0.030 0.000 0.755 232 L CB -0.765 41.267 42.059 -0.045 0.000 0.904 232 L HN 0.303 nan 8.230 nan 0.000 0.435 233 N N 0.544 119.238 118.700 -0.010 0.000 2.120 233 N HA -0.263 4.477 4.740 -0.001 0.000 0.188 233 N C 1.547 177.061 175.510 0.007 0.000 1.024 233 N CA 1.965 55.039 53.050 0.040 0.000 0.852 233 N CB 0.028 38.569 38.487 0.088 0.000 1.003 233 N HN 0.287 nan 8.380 nan 0.000 0.424 234 D N 0.401 120.805 120.400 0.006 0.000 2.149 234 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 234 D C 2.065 178.334 176.300 -0.051 0.000 0.990 234 D CA 1.098 55.094 54.000 -0.007 0.000 0.839 234 D CB 0.020 40.823 40.800 0.006 0.000 0.948 234 D HN 0.214 nan 8.370 nan 0.000 0.460 235 R N -0.658 119.809 120.500 -0.054 0.000 2.152 235 R HA -0.013 4.326 4.340 -0.001 0.000 0.232 235 R C 2.115 178.344 176.300 -0.119 0.000 1.117 235 R CA 0.621 56.684 56.100 -0.062 0.000 0.981 235 R CB -0.113 30.164 30.300 -0.039 0.000 0.870 235 R HN 0.316 nan 8.270 nan 0.000 0.451 236 L N -0.013 121.086 121.223 -0.207 0.000 2.446 236 L HA 0.013 4.352 4.340 -0.001 0.000 0.219 236 L C 2.011 178.406 176.870 -0.792 0.000 1.116 236 L CA 0.291 54.878 54.840 -0.422 0.000 0.844 236 L CB -0.040 41.783 42.059 -0.394 0.000 0.970 236 L HN 0.121 nan 8.230 nan 0.000 0.457 237 I N 0.561 120.802 120.570 -0.547 0.000 2.208 237 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 237 I C -0.384 175.638 176.117 -0.158 0.000 1.097 237 I CA 1.539 62.623 61.300 -0.361 0.000 1.363 237 I CB -1.149 36.836 38.000 -0.025 0.000 1.051 237 I HN 0.219 nan 8.210 nan 0.000 0.413 238 P HA -0.167 nan 4.420 nan 0.000 0.216 238 P C 1.797 179.090 177.300 -0.011 0.000 1.150 238 P CA 1.583 64.670 63.100 -0.023 0.000 0.837 238 P CB -0.012 31.675 31.700 -0.021 0.000 0.786 239 I N -2.483 118.037 120.570 -0.083 0.000 2.252 239 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 239 I C 2.186 178.353 176.117 0.083 0.000 1.102 239 I CA 1.264 62.552 61.300 -0.020 0.000 1.385 239 I CB -0.770 37.208 38.000 -0.038 0.000 1.064 239 I HN -0.073 nan 8.210 nan 0.000 0.414 240 Y N 1.020 121.329 120.300 0.016 0.000 2.151 240 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 240 Y C 2.211 178.124 175.900 0.023 0.000 1.166 240 Y CA 0.891 58.938 58.100 -0.089 0.000 1.163 240 Y CB -1.315 37.053 38.460 -0.153 0.000 0.974 240 Y HN 0.245 nan 8.280 nan 0.000 0.511 241 D N -1.226 119.350 120.400 0.294 0.000 2.363 241 D HA -0.027 4.612 4.640 -0.001 0.000 0.226 241 D C 1.638 178.062 176.300 0.207 0.000 1.020 241 D CA 1.353 55.540 54.000 0.312 0.000 0.892 241 D CB -0.169 40.769 40.800 0.230 0.000 0.900 241 D HN 0.544 nan 8.370 nan 0.000 0.531 242 T N -3.911 110.732 114.554 0.148 0.000 2.986 242 T HA 0.111 4.461 4.350 -0.001 0.000 0.264 242 T C 1.653 176.374 174.700 0.034 0.000 0.964 242 T CA -0.302 61.851 62.100 0.088 0.000 0.895 242 T CB 0.150 69.052 68.868 0.056 0.000 1.163 242 T HN -0.163 nan 8.240 nan 0.000 0.517 243 M N 0.979 120.576 119.600 -0.005 0.000 2.358 243 M HA 0.270 4.750 4.480 -0.001 0.000 0.264 243 M C 0.312 176.284 176.300 -0.546 0.000 1.064 243 M CA 0.908 56.048 55.300 -0.265 0.000 1.093 243 M CB -1.117 31.271 32.600 -0.353 0.000 1.401 243 M HN 0.320 nan 8.290 nan 0.000 0.440 244 F N -1.132 118.854 119.950 0.060 0.000 2.735 244 F HA 0.120 4.646 4.527 -0.000 0.000 0.304 244 F C 1.933 177.766 175.800 0.055 0.000 1.119 244 F CA -0.594 57.441 58.000 0.058 0.000 1.280 244 F CB -0.869 38.175 39.000 0.074 0.000 0.994 244 F HN 0.231 nan 8.300 nan 0.000 0.520 245 C N -1.280 118.100 119.300 0.134 0.000 2.432 245 C HA 0.077 4.537 4.460 -0.001 0.000 0.282 245 C C 0.829 175.857 174.990 0.062 0.000 1.388 245 C CA 0.349 59.423 59.018 0.093 0.000 1.777 245 C CB -1.116 26.653 27.740 0.047 0.000 1.882 245 C HN 0.430 nan 8.230 nan 0.000 0.520 246 E N -0.067 120.162 120.200 0.049 0.000 2.433 246 E HA 0.452 4.802 4.350 -0.001 0.000 0.273 246 E C -2.917 173.720 176.600 0.061 0.000 0.950 246 E CA -2.143 54.281 56.400 0.040 0.000 0.796 246 E CB 1.311 31.011 29.700 -0.001 0.000 1.330 246 E HN -0.037 nan 8.360 nan 0.000 0.455 247 P HA -0.019 nan 4.420 nan 0.000 0.267 247 P C -0.653 176.683 177.300 0.059 0.000 1.205 247 P CA 0.118 63.273 63.100 0.092 0.000 0.765 247 P CB 0.678 32.417 31.700 0.065 0.000 0.828 248 S N 4.161 119.915 115.700 0.090 0.000 2.562 248 S HA 0.200 4.670 4.470 -0.001 0.000 0.281 248 S C -1.639 172.969 174.600 0.013 0.000 1.333 248 S CA -0.966 57.227 58.200 -0.012 0.000 1.052 248 S CB -0.254 62.939 63.200 -0.012 0.000 0.884 248 S HN 0.337 nan 8.310 nan 0.000 0.506 249 P HA 0.331 nan 4.420 nan 0.000 0.257 249 P C 0.567 177.844 177.300 -0.037 0.000 1.737 249 P CA -0.222 62.844 63.100 -0.057 0.000 1.130 249 P CB 0.121 31.796 31.700 -0.042 0.000 1.572 250 A N 1.398 124.206 122.820 -0.021 0.000 1.883 250 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 250 A C 2.289 179.894 177.584 0.034 0.000 1.186 250 A CA 2.245 54.288 52.037 0.010 0.000 0.624 250 A CB -1.276 17.726 19.000 0.005 0.000 0.822 250 A HN 0.312 nan 8.150 nan 0.000 0.444 251 A N -0.138 122.673 122.820 -0.015 0.000 1.854 251 A HA 0.022 4.342 4.320 -0.001 0.000 0.214 251 A C 0.388 177.995 177.584 0.038 0.000 1.192 251 A CA 1.535 53.583 52.037 0.018 0.000 0.611 251 A CB -1.511 17.455 19.000 -0.055 0.000 0.832 251 A HN 0.483 nan 8.150 nan 0.000 0.442 252 P HA -0.176 nan 4.420 nan 0.000 0.216 252 P C 1.071 178.366 177.300 -0.008 0.000 1.150 252 P CA 1.490 64.564 63.100 -0.042 0.000 0.837 252 P CB -0.128 31.511 31.700 -0.101 0.000 0.786 253 K N -1.483 118.915 120.400 -0.003 0.000 2.057 253 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 253 K C 2.160 178.743 176.600 -0.028 0.000 1.050 253 K CA 1.373 57.647 56.287 -0.021 0.000 0.935 253 K CB -0.590 31.900 32.500 -0.017 0.000 0.715 253 K HN 0.122 nan 8.250 nan 0.000 0.439 254 W N 1.477 122.722 121.300 -0.091 0.000 2.358 254 W HA -0.202 4.458 4.660 -0.001 0.000 0.303 254 W C 2.165 178.637 176.519 -0.079 0.000 1.208 254 W CA 2.070 59.361 57.345 -0.090 0.000 1.274 254 W CB -0.268 29.147 29.460 -0.076 0.000 1.138 254 W HN 0.095 nan 8.180 nan 0.000 0.515 255 A N -0.267 122.610 122.820 0.095 0.000 1.892 255 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 255 A C 1.969 179.434 177.584 -0.199 0.000 1.188 255 A CA 2.615 54.633 52.037 -0.033 0.000 0.631 255 A CB -1.303 17.736 19.000 0.065 0.000 0.822 255 A HN 0.174 nan 8.150 nan 0.000 0.447 256 V N -0.562 119.258 119.914 -0.156 0.000 2.626 256 V HA -0.157 3.963 4.120 -0.001 0.000 0.252 256 V C 2.711 178.614 176.094 -0.319 0.000 1.067 256 V CA 2.041 64.224 62.300 -0.195 0.000 1.081 256 V CB -0.495 31.264 31.823 -0.107 0.000 0.686 256 V HN 0.646 nan 8.190 nan 0.000 0.468 257 S N 0.113 115.583 115.700 -0.384 0.000 2.368 257 S HA -0.149 4.321 4.470 -0.001 0.000 0.224 257 S C 2.182 176.454 174.600 -0.547 0.000 1.029 257 S CA 1.457 59.376 58.200 -0.468 0.000 0.988 257 S CB -0.268 62.608 63.200 -0.540 0.000 0.838 257 S HN 0.621 nan 8.310 nan 0.000 0.462 258 A N 0.961 123.339 122.820 -0.738 0.000 2.019 258 A HA 0.073 4.393 4.320 -0.001 0.000 0.219 258 A C 1.947 179.316 177.584 -0.359 0.000 1.164 258 A CA 1.105 52.767 52.037 -0.626 0.000 0.644 258 A CB -0.570 17.973 19.000 -0.762 0.000 0.805 258 A HN 0.582 nan 8.150 nan 0.000 0.449 259 L N -1.448 119.578 121.223 -0.327 0.000 2.554 259 L HA 0.184 4.524 4.340 -0.001 0.000 0.226 259 L C 1.584 178.260 176.870 -0.323 0.000 1.137 259 L CA 0.541 55.212 54.840 -0.281 0.000 0.863 259 L CB -0.185 41.705 42.059 -0.281 0.000 0.985 259 L HN 0.572 nan 8.230 nan 0.000 0.451 260 G N 0.674 109.278 108.800 -0.327 0.000 2.130 260 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.216 260 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.216 260 G C 0.767 175.477 174.900 -0.316 0.000 0.999 260 G CA 0.033 44.960 45.100 -0.288 0.000 0.686 260 G HN 0.427 nan 8.290 nan 0.000 0.515 261 R N -0.875 119.403 120.500 -0.371 0.000 2.476 261 R HA 0.474 4.813 4.340 -0.001 0.000 0.276 261 R C 1.028 177.146 176.300 -0.304 0.000 0.941 261 R CA 0.676 56.543 56.100 -0.388 0.000 1.088 261 R CB 0.444 30.392 30.300 -0.587 0.000 1.216 261 R HN 0.974 nan 8.270 nan 0.000 0.533 262 C N -2.017 117.120 119.300 -0.273 0.000 3.253 262 C HA 0.525 4.984 4.460 -0.001 0.000 0.362 262 C C -1.385 173.473 174.990 -0.219 0.000 1.487 262 C CA -1.172 57.710 59.018 -0.226 0.000 1.179 262 C CB 1.575 29.204 27.740 -0.185 0.000 1.660 262 C HN -0.002 nan 8.230 nan 0.000 0.438 263 E N 0.683 120.772 120.200 -0.185 0.000 2.243 263 E HA 0.461 4.810 4.350 -0.001 0.000 0.260 263 E C -2.214 174.187 176.600 -0.331 0.000 0.985 263 E CA -1.840 54.391 56.400 -0.282 0.000 0.858 263 E CB 1.201 30.729 29.700 -0.287 0.000 1.210 263 E HN 0.511 nan 8.360 nan 0.000 0.411 264 P HA 0.010 nan 4.420 nan 0.000 0.245 264 P C -0.251 176.960 177.300 -0.148 0.000 1.212 264 P CA 0.434 63.420 63.100 -0.190 0.000 0.774 264 P CB 0.100 31.805 31.700 0.008 0.000 0.999 265 H N 0.425 119.511 119.070 0.026 0.000 3.001 265 H HA 0.167 4.723 4.556 -0.001 0.000 0.334 265 H C 0.784 176.117 175.328 0.009 0.000 1.034 265 H CA 0.088 56.147 56.048 0.019 0.000 1.420 265 H CB 0.312 30.081 29.762 0.010 0.000 1.405 265 H HN -0.038 nan 8.280 nan 0.000 0.593 266 V N 0.969 120.961 119.914 0.129 0.000 3.141 266 V HA 0.618 4.738 4.120 -0.001 0.000 0.312 266 V C 0.064 176.190 176.094 0.053 0.000 1.157 266 V CA -1.410 60.930 62.300 0.066 0.000 1.041 266 V CB 2.451 34.300 31.823 0.042 0.000 1.071 266 V HN 0.613 nan 8.190 nan 0.000 0.441 267 R N 1.199 121.717 120.500 0.029 0.000 2.428 267 R HA 0.647 4.986 4.340 -0.001 0.000 0.294 267 R C -0.631 175.678 176.300 0.014 0.000 1.000 267 R CA -0.752 55.359 56.100 0.018 0.000 0.960 267 R CB 1.529 31.835 30.300 0.011 0.000 1.076 267 R HN 0.678 nan 8.270 nan 0.000 0.475 268 L N 4.269 125.499 121.223 0.011 0.000 2.514 268 L HA 0.017 4.357 4.340 -0.001 0.000 0.280 268 L C -0.905 175.967 176.870 0.003 0.000 1.223 268 L CA -0.825 54.020 54.840 0.007 0.000 0.864 268 L CB 0.409 42.471 42.059 0.004 0.000 1.118 268 L HN 0.513 nan 8.230 nan 0.000 0.494 269 P HA 0.057 nan 4.420 nan 0.000 0.249 269 P C 0.111 177.415 177.300 0.007 0.000 1.229 269 P CA 0.391 63.491 63.100 0.001 0.000 0.788 269 P CB 0.301 31.999 31.700 -0.004 0.000 1.072 270 L N 0.915 122.144 121.223 0.010 0.000 2.417 270 L HA 0.275 4.615 4.340 -0.001 0.000 0.268 270 L C 0.757 177.638 176.870 0.019 0.000 1.158 270 L CA -0.747 54.102 54.840 0.015 0.000 0.819 270 L CB 1.140 43.209 42.059 0.016 0.000 1.112 270 L HN -0.186 nan 8.230 nan 0.000 0.458 271 V N -0.159 119.767 119.914 0.019 0.000 2.864 271 V HA 0.669 4.788 4.120 -0.001 0.000 0.314 271 V C -2.386 173.722 176.094 0.025 0.000 1.073 271 V CA -1.932 60.382 62.300 0.023 0.000 0.956 271 V CB 1.353 33.186 31.823 0.016 0.000 1.023 271 V HN 0.592 nan 8.190 nan 0.000 0.435 272 P HA 0.260 nan 4.420 nan 0.000 0.275 272 P C -0.468 176.834 177.300 0.004 0.000 1.266 272 P CA -0.502 62.622 63.100 0.040 0.000 0.793 272 P CB 0.674 32.417 31.700 0.070 0.000 1.074 273 L N 1.284 122.502 121.223 -0.008 0.000 2.499 273 L HA 0.110 4.450 4.340 -0.001 0.000 0.273 273 L C 0.965 177.735 176.870 -0.166 0.000 1.195 273 L CA 0.615 55.394 54.840 -0.102 0.000 0.882 273 L CB -0.367 41.592 42.059 -0.167 0.000 1.133 273 L HN 0.571 nan 8.230 nan 0.000 0.483 274 T N 0.521 114.988 114.554 -0.146 0.000 2.726 274 T HA 0.139 4.488 4.350 -0.001 0.000 0.294 274 T C 1.006 175.578 174.700 -0.213 0.000 1.013 274 T CA -0.047 61.971 62.100 -0.137 0.000 0.996 274 T CB 0.397 69.211 68.868 -0.090 0.000 1.016 274 T HN 0.735 nan 8.240 nan 0.000 0.529 275 E N 0.233 120.336 120.200 -0.162 0.000 2.085 275 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 275 E C 2.243 178.727 176.600 -0.193 0.000 0.994 275 E CA 1.103 57.396 56.400 -0.178 0.000 0.801 275 E CB -0.150 29.489 29.700 -0.102 0.000 0.743 275 E HN 0.711 nan 8.360 nan 0.000 0.453 276 N N 0.481 119.095 118.700 -0.143 0.000 2.142 276 N HA -0.135 4.605 4.740 -0.001 0.000 0.186 276 N C 2.087 177.502 175.510 -0.158 0.000 1.023 276 N CA 1.331 54.307 53.050 -0.122 0.000 0.852 276 N CB -0.126 38.315 38.487 -0.078 0.000 0.998 276 N HN 0.145 nan 8.380 nan 0.000 0.424 277 G N 0.812 109.502 108.800 -0.183 0.000 2.440 277 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 277 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 277 G C 1.520 176.203 174.900 -0.362 0.000 1.154 277 G CA 0.687 45.660 45.100 -0.213 0.000 0.767 277 G HN 0.487 nan 8.290 nan 0.000 0.552 278 Q N 0.273 119.711 119.800 -0.604 0.000 2.096 278 Q HA -0.018 4.321 4.340 -0.001 0.000 0.204 278 Q C 2.998 178.653 176.000 -0.576 0.000 0.982 278 Q CA 1.292 56.438 55.803 -1.095 0.000 0.850 278 Q CB -0.309 27.673 28.738 -1.261 0.000 0.901 278 Q HN 0.488 nan 8.270 nan 0.000 0.422 279 A N 1.477 124.111 122.820 -0.310 0.000 1.933 279 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 279 A C 1.927 179.459 177.584 -0.087 0.000 1.175 279 A CA 1.496 53.447 52.037 -0.143 0.000 0.628 279 A CB -0.264 18.677 19.000 -0.098 0.000 0.814 279 A HN 0.179 nan 8.150 nan 0.000 0.444 280 K N -0.593 119.748 120.400 -0.099 0.000 2.025 280 K HA -0.036 4.284 4.320 -0.001 0.000 0.207 280 K C 1.886 178.483 176.600 -0.006 0.000 1.049 280 K CA 1.370 57.633 56.287 -0.040 0.000 0.933 280 K CB -0.317 32.161 32.500 -0.036 0.000 0.714 280 K HN 0.292 nan 8.250 nan 0.000 0.438 281 V N 1.519 121.421 119.914 -0.019 0.000 2.358 281 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 281 V C 2.420 178.621 176.094 0.178 0.000 1.047 281 V CA 1.567 63.922 62.300 0.092 0.000 1.035 281 V CB -0.495 31.429 31.823 0.169 0.000 0.658 281 V HN 0.323 nan 8.190 nan 0.000 0.452 282 R N 0.563 121.184 120.500 0.202 0.000 2.080 282 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 282 R C 2.296 178.663 176.300 0.113 0.000 1.137 282 R CA 1.931 58.170 56.100 0.232 0.000 0.943 282 R CB -0.510 29.922 30.300 0.221 0.000 0.846 282 R HN 0.460 nan 8.270 nan 0.000 0.431 283 A N 0.626 123.485 122.820 0.065 0.000 1.933 283 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 283 A C 2.345 179.953 177.584 0.040 0.000 1.175 283 A CA 1.730 53.792 52.037 0.042 0.000 0.628 283 A CB -0.688 18.326 19.000 0.024 0.000 0.814 283 A HN 0.588 nan 8.150 nan 0.000 0.444 284 A N -0.362 122.487 122.820 0.047 0.000 1.898 284 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 284 A C 2.139 179.744 177.584 0.034 0.000 1.181 284 A CA 1.351 53.410 52.037 0.036 0.000 0.620 284 A CB -0.525 18.498 19.000 0.040 0.000 0.819 284 A HN 0.464 nan 8.150 nan 0.000 0.442 285 L N -0.850 120.407 121.223 0.057 0.000 2.093 285 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 285 L C 2.551 179.441 176.870 0.033 0.000 1.085 285 L CA 1.590 56.458 54.840 0.048 0.000 0.755 285 L CB -0.368 41.728 42.059 0.062 0.000 0.904 285 L HN 0.354 nan 8.230 nan 0.000 0.435 286 K N -0.025 120.396 120.400 0.036 0.000 2.057 286 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 286 K C 2.240 178.850 176.600 0.016 0.000 1.050 286 K CA 1.241 57.543 56.287 0.025 0.000 0.935 286 K CB -0.229 32.288 32.500 0.029 0.000 0.715 286 K HN 0.244 nan 8.250 nan 0.000 0.439 287 A N 1.358 124.186 122.820 0.014 0.000 1.969 287 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 287 A C 2.037 179.619 177.584 -0.004 0.000 1.169 287 A CA 1.928 53.968 52.037 0.005 0.000 0.635 287 A CB -0.487 18.516 19.000 0.005 0.000 0.810 287 A HN 0.366 nan 8.150 nan 0.000 0.445 288 S N -1.732 113.965 115.700 -0.006 0.000 2.603 288 S HA 0.365 4.835 4.470 -0.001 0.000 0.220 288 S C 1.345 175.943 174.600 -0.003 0.000 0.967 288 S CA 0.942 59.133 58.200 -0.016 0.000 0.920 288 S CB -0.438 62.747 63.200 -0.024 0.000 0.773 288 S HN 1.903 nan 8.310 nan 0.000 0.529 289 G N 1.184 109.987 108.800 0.004 0.000 2.160 289 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.251 289 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.251 289 G C 0.737 175.646 174.900 0.015 0.000 1.008 289 G CA 0.433 45.538 45.100 0.008 0.000 0.724 289 G HN 0.492 nan 8.290 nan 0.000 0.514 290 Q N -1.010 118.802 119.800 0.021 0.000 2.339 290 Q HA 0.383 4.722 4.340 -0.001 0.000 0.205 290 Q C 1.724 177.737 176.000 0.020 0.000 0.925 290 Q CA 0.701 56.523 55.803 0.032 0.000 0.898 290 Q CB 0.456 29.222 28.738 0.046 0.000 1.013 290 Q HN 0.670 nan 8.270 nan 0.000 0.504 291 L N 0.000 121.231 121.223 0.014 0.000 2.949 291 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 291 L CA 0.000 54.842 54.840 0.003 0.000 0.813 291 L CB 0.000 42.062 42.059 0.005 0.000 0.961 291 L HN 0.000 nan 8.230 nan 0.000 0.502