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 1uf2_1_T DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE AGYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.735 176.300 0.725 0.000 1.140 1 M CA 0.000 55.603 55.300 0.505 0.000 0.988 1 M CB 0.000 32.705 32.600 0.175 0.000 1.302 2 S N 1.396 117.329 115.700 0.387 0.000 2.593 2 S HA -0.079 4.391 4.470 -0.000 0.000 0.303 2 S C 1.125 175.914 174.600 0.314 0.000 1.267 2 S CA 0.890 59.247 58.200 0.261 0.000 1.047 2 S CB 0.427 63.697 63.200 0.117 0.000 0.777 2 S HN 0.583 nan 8.310 nan 0.000 0.498 3 R N 2.796 123.253 120.500 -0.072 0.000 2.096 3 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 3 R C 2.086 178.393 176.300 0.012 0.000 1.127 3 R CA 1.652 57.559 56.100 -0.321 0.000 0.968 3 R CB -0.583 29.118 30.300 -0.999 0.000 0.861 3 R HN 0.643 nan 8.270 nan 0.000 0.440 4 Q N 1.158 120.948 119.800 -0.016 0.000 2.135 4 Q HA -0.066 4.274 4.340 -0.000 0.000 0.204 4 Q C 2.124 178.197 176.000 0.122 0.000 0.981 4 Q CA 2.014 57.839 55.803 0.037 0.000 0.856 4 Q CB -0.144 28.597 28.738 0.005 0.000 0.902 4 Q HN 0.466 nan 8.270 nan 0.000 0.425 5 M N -1.949 117.738 119.600 0.145 0.000 2.132 5 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 5 M C 1.538 177.928 176.300 0.151 0.000 1.065 5 M CA 1.455 56.820 55.300 0.109 0.000 1.122 5 M CB -0.371 32.270 32.600 0.069 0.000 1.365 5 M HN 0.287 nan 8.290 nan 0.000 0.411 6 W N 0.718 122.166 121.300 0.245 0.000 2.355 6 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 6 W C 2.114 178.807 176.519 0.290 0.000 1.206 6 W CA 1.058 58.589 57.345 0.311 0.000 1.284 6 W CB -0.503 29.223 29.460 0.444 0.000 1.145 6 W HN 0.094 nan 8.180 nan 0.000 0.502 7 L N -0.308 121.192 121.223 0.461 0.000 1.989 7 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 7 L C 2.064 179.107 176.870 0.287 0.000 1.071 7 L CA 1.678 56.748 54.840 0.383 0.000 0.749 7 L CB -1.055 41.187 42.059 0.305 0.000 0.890 7 L HN -0.086 nan 8.230 nan 0.000 0.431 8 D N -0.346 120.168 120.400 0.189 0.000 2.127 8 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 8 D C 2.217 178.520 176.300 0.004 0.000 1.000 8 D CA 2.287 56.321 54.000 0.057 0.000 0.839 8 D CB -0.208 40.611 40.800 0.032 0.000 0.955 8 D HN 0.378 nan 8.370 nan 0.000 0.446 9 T N -2.102 112.481 114.554 0.048 0.000 2.915 9 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 9 T C 1.984 176.680 174.700 -0.006 0.000 1.071 9 T CA 1.641 63.744 62.100 0.006 0.000 1.132 9 T CB -0.312 68.565 68.868 0.014 0.000 0.878 9 T HN 0.048 nan 8.240 nan 0.000 0.479 10 S N 1.439 117.235 115.700 0.159 0.000 2.368 10 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 10 S C 2.507 177.077 174.600 -0.049 0.000 1.030 10 S CA 1.322 59.582 58.200 0.100 0.000 0.999 10 S CB -1.028 62.396 63.200 0.373 0.000 0.844 10 S HN 0.779 nan 8.310 nan 0.000 0.459 11 A N 1.046 123.815 122.820 -0.085 0.000 2.019 11 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 11 A C 2.157 179.613 177.584 -0.213 0.000 1.164 11 A CA 1.592 53.455 52.037 -0.290 0.000 0.644 11 A CB -0.732 17.801 19.000 -0.778 0.000 0.805 11 A HN 0.616 nan 8.150 nan 0.000 0.449 12 L N -0.653 120.468 121.223 -0.171 0.000 2.068 12 L HA 0.050 4.390 4.340 -0.000 0.000 0.204 12 L C 2.192 178.989 176.870 -0.122 0.000 1.076 12 L CA 1.481 56.236 54.840 -0.143 0.000 0.753 12 L CB -0.468 41.513 42.059 -0.130 0.000 0.910 12 L HN 0.348 nan 8.230 nan 0.000 0.439 13 L N -0.463 120.655 121.223 -0.175 0.000 2.127 13 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 13 L C 2.535 179.358 176.870 -0.079 0.000 1.089 13 L CA 1.486 56.223 54.840 -0.172 0.000 0.757 13 L CB -0.404 41.406 42.059 -0.416 0.000 0.899 13 L HN 0.453 nan 8.230 nan 0.000 0.434 14 E N -0.372 119.780 120.200 -0.080 0.000 2.152 14 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 14 E C 2.184 178.809 176.600 0.042 0.000 0.983 14 E CA 0.890 57.288 56.400 -0.003 0.000 0.818 14 E CB 0.099 29.805 29.700 0.010 0.000 0.758 14 E HN 0.489 nan 8.360 nan 0.000 0.467 15 A N 0.863 123.690 122.820 0.012 0.000 1.898 15 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 15 A C 2.067 179.724 177.584 0.121 0.000 1.183 15 A CA 0.574 52.653 52.037 0.070 0.000 0.622 15 A CB -0.431 18.557 19.000 -0.019 0.000 0.824 15 A HN 0.197 nan 8.150 nan 0.000 0.444 16 I N 0.034 120.633 120.570 0.049 0.000 2.194 16 I HA -0.296 3.874 4.170 -0.000 0.000 0.246 16 I C 2.912 179.111 176.117 0.136 0.000 1.093 16 I CA 1.735 63.080 61.300 0.076 0.000 1.355 16 I CB -0.301 37.740 38.000 0.068 0.000 1.046 16 I HN 0.505 nan 8.210 nan 0.000 0.413 17 S N 0.622 116.403 115.700 0.135 0.000 2.343 17 S HA -0.314 4.156 4.470 -0.000 0.000 0.219 17 S C 2.055 176.737 174.600 0.136 0.000 1.033 17 S CA 2.013 60.298 58.200 0.143 0.000 1.014 17 S CB -0.464 62.807 63.200 0.119 0.000 0.915 17 S HN 0.524 nan 8.310 nan 0.000 0.435 18 E N -0.907 119.381 120.200 0.147 0.000 2.136 18 E HA -0.272 4.078 4.350 -0.000 0.000 0.208 18 E C 1.799 178.426 176.600 0.046 0.000 1.035 18 E CA 2.087 58.555 56.400 0.113 0.000 0.838 18 E CB -0.371 29.427 29.700 0.163 0.000 0.748 18 E HN 0.788 nan 8.360 nan 0.000 0.459 19 Y N -0.573 119.737 120.300 0.018 0.000 2.337 19 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 19 Y C 2.253 178.160 175.900 0.011 0.000 1.123 19 Y CA 0.581 58.687 58.100 0.010 0.000 1.201 19 Y CB -0.113 38.340 38.460 -0.012 0.000 1.011 19 Y HN -0.038 nan 8.280 nan 0.000 0.545 20 V N -0.945 119.049 119.914 0.134 0.000 2.407 20 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 20 V C 2.115 178.239 176.094 0.049 0.000 1.055 20 V CA 1.556 63.902 62.300 0.076 0.000 1.049 20 V CB -0.663 31.204 31.823 0.074 0.000 0.662 20 V HN 0.221 nan 8.190 nan 0.000 0.455 21 V N -0.273 119.663 119.914 0.036 0.000 2.270 21 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 21 V C 2.504 178.587 176.094 -0.019 0.000 1.043 21 V CA 2.017 64.321 62.300 0.008 0.000 1.014 21 V CB -0.836 30.987 31.823 -0.000 0.000 0.645 21 V HN 0.435 nan 8.190 nan 0.000 0.447 22 R N -0.623 119.837 120.500 -0.067 0.000 2.117 22 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 22 R C 2.234 178.520 176.300 -0.024 0.000 1.143 22 R CA 1.915 57.958 56.100 -0.095 0.000 0.968 22 R CB -0.738 29.410 30.300 -0.252 0.000 0.863 22 R HN 0.489 nan 8.270 nan 0.000 0.444 23 C N 0.018 119.330 119.300 0.019 0.000 2.495 23 C HA 0.024 4.484 4.460 -0.000 0.000 0.275 23 C C 1.228 176.224 174.990 0.010 0.000 1.392 23 C CA -0.694 58.361 59.018 0.061 0.000 1.766 23 C CB -1.420 26.407 27.740 0.145 0.000 1.933 23 C HN 0.486 nan 8.230 nan 0.000 0.519 24 N N 0.676 119.374 118.700 -0.003 0.000 2.365 24 N HA 0.196 4.936 4.740 -0.000 0.000 0.265 24 N C 1.114 176.586 175.510 -0.064 0.000 1.288 24 N CA 0.896 53.929 53.050 -0.029 0.000 0.869 24 N CB 0.139 38.618 38.487 -0.014 0.000 1.071 24 N HN 0.568 nan 8.380 nan 0.000 0.480 25 G N 3.209 111.934 108.800 -0.125 0.000 2.179 25 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 25 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 25 G C -0.023 174.701 174.900 -0.294 0.000 1.010 25 G CA 0.327 45.319 45.100 -0.180 0.000 0.736 25 G HN 0.770 nan 8.290 nan 0.000 0.513 26 D N -0.368 119.830 120.400 -0.337 0.000 2.582 26 D HA 0.194 4.834 4.640 -0.000 0.000 0.246 26 D C 1.045 177.087 176.300 -0.431 0.000 1.334 26 D CA 0.713 54.533 54.000 -0.300 0.000 0.805 26 D CB 0.251 41.080 40.800 0.049 0.000 1.087 26 D HN 0.430 nan 8.370 nan 0.000 0.499 27 T N -0.470 113.735 114.554 -0.580 0.000 3.598 27 T HA 0.401 4.751 4.350 -0.000 0.000 0.343 27 T C 0.277 174.693 174.700 -0.473 0.000 1.697 27 T CA -0.552 61.312 62.100 -0.392 0.000 1.247 27 T CB -0.933 67.780 68.868 -0.258 0.000 1.210 27 T HN -0.192 nan 8.240 nan 0.000 0.820 28 F N 0.764 120.667 119.950 -0.080 0.000 2.380 28 F HA 0.495 5.022 4.527 -0.000 0.000 0.321 28 F C 1.300 177.042 175.800 -0.097 0.000 1.103 28 F CA -1.216 56.741 58.000 -0.071 0.000 1.067 28 F CB 0.483 39.455 39.000 -0.045 0.000 1.265 28 F HN 0.212 nan 8.300 nan 0.000 0.517 29 S N 0.954 116.726 115.700 0.120 0.000 2.806 29 S HA 0.199 4.669 4.470 -0.000 0.000 0.334 29 S C 1.161 175.762 174.600 0.000 0.000 1.226 29 S CA 1.061 59.278 58.200 0.028 0.000 1.017 29 S CB -0.372 62.850 63.200 0.036 0.000 0.712 29 S HN 1.199 nan 8.310 nan 0.000 0.491 30 G N 1.754 110.528 108.800 -0.044 0.000 2.363 30 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.238 30 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.238 30 G C 0.266 175.103 174.900 -0.105 0.000 1.062 30 G CA -0.094 44.978 45.100 -0.047 0.000 0.629 30 G HN 1.234 nan 8.290 nan 0.000 0.514 31 L N 0.387 121.505 121.223 -0.175 0.000 3.795 31 L HA -0.163 4.177 4.340 -0.000 0.000 0.489 31 L C 1.722 178.516 176.870 -0.126 0.000 1.259 31 L CA 2.208 56.818 54.840 -0.384 0.000 0.765 31 L CB -2.283 39.254 42.059 -0.870 0.000 1.519 31 L HN 1.083 nan 8.230 nan 0.000 0.842 32 T N -5.679 108.874 114.554 -0.001 0.000 3.134 32 T HA 0.192 4.542 4.350 -0.000 0.000 0.260 32 T C 0.855 175.621 174.700 0.111 0.000 1.027 32 T CA 0.232 62.372 62.100 0.067 0.000 0.913 32 T CB -0.088 68.807 68.868 0.044 0.000 1.046 32 T HN 0.366 nan 8.240 nan 0.000 0.553 33 T N 1.992 116.633 114.554 0.146 0.000 2.930 33 T HA 0.383 4.733 4.350 -0.000 0.000 0.306 33 T C 1.740 176.554 174.700 0.190 0.000 1.045 33 T CA 0.128 62.330 62.100 0.169 0.000 1.134 33 T CB 1.162 70.152 68.868 0.203 0.000 0.961 33 T HN 0.368 nan 8.240 nan 0.000 0.545 34 G N 2.029 110.917 108.800 0.147 0.000 2.432 34 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 34 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 34 G C 1.168 176.181 174.900 0.188 0.000 1.135 34 G CA 0.403 45.589 45.100 0.142 0.000 0.767 34 G HN 0.638 nan 8.290 nan 0.000 0.550 35 D N 0.190 120.716 120.400 0.210 0.000 2.084 35 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 35 D C 1.945 178.423 176.300 0.297 0.000 0.990 35 D CA 0.543 54.713 54.000 0.282 0.000 0.826 35 D CB -0.555 40.337 40.800 0.154 0.000 0.971 35 D HN 0.285 nan 8.370 nan 0.000 0.453 36 F N 1.742 121.772 119.950 0.133 0.000 2.161 36 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 36 F C 1.893 177.745 175.800 0.086 0.000 1.089 36 F CA 1.143 59.202 58.000 0.098 0.000 1.282 36 F CB -0.149 38.887 39.000 0.060 0.000 1.010 36 F HN -0.158 nan 8.300 nan 0.000 0.485 37 N N 0.646 119.439 118.700 0.155 0.000 2.104 37 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 37 N C 1.985 177.448 175.510 -0.078 0.000 1.024 37 N CA 1.564 54.643 53.050 0.048 0.000 0.853 37 N CB -0.757 37.791 38.487 0.103 0.000 1.008 37 N HN 0.428 nan 8.380 nan 0.000 0.424 38 A N 0.553 123.342 122.820 -0.052 0.000 1.929 38 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 38 A C 2.152 179.560 177.584 -0.293 0.000 1.176 38 A CA 0.769 52.688 52.037 -0.196 0.000 0.628 38 A CB -0.650 18.183 19.000 -0.278 0.000 0.816 38 A HN 0.258 nan 8.150 nan 0.000 0.444 39 L N 0.082 121.182 121.223 -0.205 0.000 2.127 39 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 39 L C 2.368 179.106 176.870 -0.220 0.000 1.089 39 L CA 2.450 57.177 54.840 -0.189 0.000 0.757 39 L CB -0.792 41.175 42.059 -0.154 0.000 0.899 39 L HN 0.288 nan 8.230 nan 0.000 0.434 40 S N -0.162 115.336 115.700 -0.336 0.000 2.335 40 S HA -0.169 4.301 4.470 -0.000 0.000 0.216 40 S C 1.835 176.391 174.600 -0.074 0.000 1.032 40 S CA 1.255 59.333 58.200 -0.203 0.000 1.000 40 S CB -0.542 62.510 63.200 -0.247 0.000 0.928 40 S HN 0.583 nan 8.310 nan 0.000 0.434 41 N N 0.937 119.569 118.700 -0.113 0.000 2.037 41 N HA -0.140 4.600 4.740 -0.000 0.000 0.196 41 N C 1.780 177.217 175.510 -0.121 0.000 1.034 41 N CA 1.538 54.525 53.050 -0.106 0.000 0.861 41 N CB -0.327 38.093 38.487 -0.111 0.000 1.039 41 N HN 0.282 nan 8.380 nan 0.000 0.427 42 M N -0.293 119.220 119.600 -0.146 0.000 2.115 42 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 42 M C 2.032 178.284 176.300 -0.079 0.000 1.071 42 M CA 1.696 56.914 55.300 -0.137 0.000 1.100 42 M CB -0.580 31.910 32.600 -0.183 0.000 1.292 42 M HN 0.193 nan 8.290 nan 0.000 0.415 43 F N 0.302 120.163 119.950 -0.148 0.000 2.161 43 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 43 F C 2.053 177.805 175.800 -0.080 0.000 1.089 43 F CA 1.973 59.907 58.000 -0.111 0.000 1.282 43 F CB -0.896 38.034 39.000 -0.117 0.000 1.010 43 F HN 0.098 nan 8.300 nan 0.000 0.485 44 T N 0.052 114.355 114.554 -0.417 0.000 2.962 44 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 44 T C 1.645 176.134 174.700 -0.351 0.000 1.088 44 T CA 1.421 63.253 62.100 -0.446 0.000 1.127 44 T CB -0.221 68.542 68.868 -0.175 0.000 0.883 44 T HN 0.479 nan 8.240 nan 0.000 0.493 45 Q N -0.079 119.557 119.800 -0.273 0.000 2.392 45 Q HA 0.220 4.560 4.340 -0.000 0.000 0.203 45 Q C 1.941 177.813 176.000 -0.213 0.000 0.917 45 Q CA -0.133 55.545 55.803 -0.209 0.000 0.939 45 Q CB -0.135 28.509 28.738 -0.156 0.000 1.063 45 Q HN 0.285 nan 8.270 nan 0.000 0.516 46 L N 0.788 121.858 121.223 -0.255 0.000 2.051 46 L HA -0.204 4.136 4.340 -0.000 0.000 0.214 46 L C 0.563 177.346 176.870 -0.146 0.000 1.076 46 L CA 1.881 56.626 54.840 -0.158 0.000 0.758 46 L CB -0.166 41.806 42.059 -0.144 0.000 0.890 46 L HN 0.237 nan 8.230 nan 0.000 0.433 47 S N -5.744 109.809 115.700 -0.244 0.000 2.645 47 S HA 0.256 4.726 4.470 -0.000 0.000 0.268 47 S C 0.442 174.880 174.600 -0.270 0.000 1.110 47 S CA -0.377 57.638 58.200 -0.309 0.000 0.823 47 S CB 0.426 63.321 63.200 -0.509 0.000 1.091 47 S HN -0.179 nan 8.310 nan 0.000 0.466 48 V N 1.366 121.129 119.914 -0.252 0.000 2.358 48 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 48 V C 2.914 178.912 176.094 -0.161 0.000 1.047 48 V CA 2.333 64.526 62.300 -0.179 0.000 1.035 48 V CB -1.282 30.449 31.823 -0.154 0.000 0.658 48 V HN 1.031 nan 8.190 nan 0.000 0.452 49 S N 1.300 116.879 115.700 -0.202 0.000 2.400 49 S HA -0.240 4.230 4.470 -0.000 0.000 0.234 49 S C 1.865 176.358 174.600 -0.179 0.000 1.049 49 S CA 2.158 60.255 58.200 -0.170 0.000 1.039 49 S CB -0.458 62.628 63.200 -0.190 0.000 0.856 49 S HN 0.840 nan 8.310 nan 0.000 0.465 50 S N 0.325 115.902 115.700 -0.206 0.000 2.679 50 S HA 0.641 5.111 4.470 -0.000 0.000 0.233 50 S C 0.287 174.836 174.600 -0.086 0.000 0.951 50 S CA -0.006 58.059 58.200 -0.224 0.000 0.973 50 S CB -0.012 62.933 63.200 -0.425 0.000 0.778 50 S HN 0.631 nan 8.310 nan 0.000 0.477 51 A N 0.699 123.523 122.820 0.008 0.000 2.450 51 A HA 0.589 4.909 4.320 -0.000 0.000 0.255 51 A C 1.521 179.226 177.584 0.201 0.000 1.096 51 A CA 0.087 52.155 52.037 0.052 0.000 0.778 51 A CB -0.841 18.163 19.000 0.007 0.000 1.031 51 A HN 1.564 nan 8.150 nan 0.000 0.494 52 G N 0.798 109.673 108.800 0.124 0.000 2.184 52 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.264 52 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.264 52 G C 0.395 175.311 174.900 0.026 0.000 0.975 52 G CA 0.987 46.126 45.100 0.065 0.000 0.642 52 G HN 0.814 nan 8.290 nan 0.000 0.536 53 Y N 0.003 120.401 120.300 0.162 0.000 2.462 53 Y HA 0.333 4.883 4.550 -0.000 0.000 0.293 53 Y C 2.399 178.463 175.900 0.273 0.000 1.195 53 Y CA 0.607 58.843 58.100 0.226 0.000 1.276 53 Y CB 0.220 38.854 38.460 0.290 0.000 1.082 53 Y HN 0.273 nan 8.280 nan 0.000 0.514 54 V N -0.427 119.698 119.914 0.352 0.000 2.660 54 V HA -0.294 3.826 4.120 -0.000 0.000 0.257 54 V C 1.739 177.921 176.094 0.146 0.000 1.088 54 V CA 2.573 65.021 62.300 0.247 0.000 1.106 54 V CB -0.394 31.547 31.823 0.197 0.000 0.686 54 V HN 0.516 nan 8.190 nan 0.000 0.481 55 S N -0.573 115.190 115.700 0.105 0.000 2.436 55 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 55 S C 1.011 175.634 174.600 0.038 0.000 1.014 55 S CA 0.926 59.166 58.200 0.067 0.000 0.950 55 S CB -0.097 63.109 63.200 0.009 0.000 0.784 55 S HN 0.811 nan 8.310 nan 0.000 0.504 56 D N 0.813 121.237 120.400 0.040 0.000 2.978 56 D HA 0.227 4.867 4.640 -0.000 0.000 0.268 56 D C -2.297 173.999 176.300 -0.007 0.000 1.252 56 D CA -1.423 52.587 54.000 0.017 0.000 0.771 56 D CB 0.889 41.718 40.800 0.050 0.000 1.361 56 D HN -0.082 nan 8.370 nan 0.000 0.558 57 P HA -0.192 nan 4.420 nan 0.000 0.231 57 P C 1.364 178.443 177.300 -0.368 0.000 1.154 57 P CA 0.396 63.080 63.100 -0.694 0.000 0.762 57 P CB 0.355 31.219 31.700 -1.394 0.000 0.790 58 R N 0.258 120.647 120.500 -0.185 0.000 2.082 58 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 58 R C 2.352 178.615 176.300 -0.062 0.000 1.136 58 R CA 1.841 57.865 56.100 -0.126 0.000 0.935 58 R CB -1.091 29.177 30.300 -0.054 0.000 0.842 58 R HN 0.054 nan 8.270 nan 0.000 0.430 59 V N 1.645 121.569 119.914 0.017 0.000 2.307 59 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 59 V C -1.087 175.011 176.094 0.007 0.000 1.045 59 V CA 1.699 64.016 62.300 0.029 0.000 1.024 59 V CB -0.707 31.157 31.823 0.069 0.000 0.651 59 V HN 0.376 nan 8.190 nan 0.000 0.449 60 P HA -0.153 nan 4.420 nan 0.000 0.217 60 P C 2.070 179.431 177.300 0.102 0.000 1.150 60 P CA 1.612 64.718 63.100 0.008 0.000 0.832 60 P CB -0.071 31.638 31.700 0.014 0.000 0.787 61 L N -0.411 120.851 121.223 0.064 0.000 2.046 61 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 61 L C 3.183 180.076 176.870 0.039 0.000 1.077 61 L CA 1.580 56.396 54.840 -0.040 0.000 0.747 61 L CB -0.962 40.812 42.059 -0.475 0.000 0.896 61 L HN 0.026 nan 8.230 nan 0.000 0.432 62 Q N -0.526 119.297 119.800 0.039 0.000 2.061 62 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 62 Q C 2.044 178.150 176.000 0.177 0.000 0.984 62 Q CA 2.395 58.285 55.803 0.144 0.000 0.846 62 Q CB -0.004 28.789 28.738 0.091 0.000 0.902 62 Q HN 0.432 nan 8.270 nan 0.000 0.421 63 T N 1.303 115.940 114.554 0.140 0.000 2.708 63 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 63 T C 1.657 176.482 174.700 0.208 0.000 1.037 63 T CA 1.445 63.648 62.100 0.170 0.000 1.146 63 T CB -0.268 68.688 68.868 0.147 0.000 0.865 63 T HN 0.377 nan 8.240 nan 0.000 0.435 64 M N 1.099 120.785 119.600 0.143 0.000 2.106 64 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 64 M C 2.278 178.663 176.300 0.143 0.000 1.068 64 M CA 1.690 56.924 55.300 -0.110 0.000 1.100 64 M CB -0.541 31.852 32.600 -0.344 0.000 1.351 64 M HN 0.156 nan 8.290 nan 0.000 0.404 65 S N 1.113 116.971 115.700 0.263 0.000 2.348 65 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 65 S C 1.450 176.303 174.600 0.422 0.000 1.033 65 S CA 1.611 60.041 58.200 0.384 0.000 1.010 65 S CB -0.472 62.987 63.200 0.432 0.000 0.891 65 S HN 0.532 nan 8.310 nan 0.000 0.442 66 N N 1.634 120.581 118.700 0.412 0.000 2.036 66 N HA -0.126 4.614 4.740 -0.000 0.000 0.199 66 N C 1.677 177.371 175.510 0.307 0.000 1.036 66 N CA 1.652 54.955 53.050 0.422 0.000 0.870 66 N CB -0.484 38.177 38.487 0.290 0.000 1.055 66 N HN 0.370 nan 8.380 nan 0.000 0.436 67 M N -0.959 118.811 119.600 0.283 0.000 2.149 67 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 67 M C 1.847 178.169 176.300 0.037 0.000 1.064 67 M CA 1.130 56.582 55.300 0.253 0.000 1.102 67 M CB -0.364 32.503 32.600 0.446 0.000 1.369 67 M HN 0.143 nan 8.290 nan 0.000 0.408 68 F N 0.807 120.666 119.950 -0.152 0.000 2.171 68 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 68 F C 1.934 177.608 175.800 -0.209 0.000 1.090 68 F CA 1.328 59.018 58.000 -0.517 0.000 1.293 68 F CB -0.370 38.510 39.000 -0.201 0.000 1.013 68 F HN -0.195 nan 8.300 nan 0.000 0.486 69 V N -0.633 119.123 119.914 -0.263 0.000 2.307 69 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 69 V C 2.648 178.595 176.094 -0.244 0.000 1.045 69 V CA 1.910 64.006 62.300 -0.340 0.000 1.024 69 V CB -1.154 30.428 31.823 -0.401 0.000 0.651 69 V HN 0.493 nan 8.190 nan 0.000 0.449 70 S N -0.751 114.900 115.700 -0.082 0.000 2.420 70 S HA -0.233 4.237 4.470 -0.000 0.000 0.237 70 S C 1.784 176.332 174.600 -0.087 0.000 1.023 70 S CA 2.156 60.341 58.200 -0.024 0.000 0.991 70 S CB -0.373 62.872 63.200 0.076 0.000 0.792 70 S HN 0.616 nan 8.310 nan 0.000 0.488 71 F N 0.950 120.680 119.950 -0.367 0.000 2.148 71 F HA 0.222 4.749 4.527 -0.000 0.000 0.285 71 F C 1.721 177.240 175.800 -0.469 0.000 1.092 71 F CA 0.742 58.510 58.000 -0.386 0.000 1.218 71 F CB -0.611 38.076 39.000 -0.522 0.000 1.059 71 F HN 0.195 nan 8.300 nan 0.000 0.490 72 I N 0.565 120.763 120.570 -0.621 0.000 2.800 72 I HA -0.205 3.965 4.170 -0.000 0.000 0.266 72 I C 1.932 177.666 176.117 -0.638 0.000 1.249 72 I CA 1.508 62.365 61.300 -0.739 0.000 1.458 72 I CB -0.928 36.547 38.000 -0.875 0.000 1.093 72 I HN 0.255 nan 8.210 nan 0.000 0.466 73 T N -1.393 112.848 114.554 -0.522 0.000 2.978 73 T HA 0.048 4.398 4.350 -0.000 0.000 0.262 73 T C 0.949 175.426 174.700 -0.372 0.000 1.063 73 T CA 0.733 62.572 62.100 -0.435 0.000 1.140 73 T CB -0.045 68.651 68.868 -0.286 0.000 0.886 73 T HN 0.311 nan 8.240 nan 0.000 0.470 74 S N 0.857 116.337 115.700 -0.368 0.000 2.422 74 S HA 0.228 4.698 4.470 -0.000 0.000 0.308 74 S C 1.284 175.681 174.600 -0.340 0.000 1.097 74 S CA -0.574 57.450 58.200 -0.294 0.000 1.099 74 S CB 0.919 63.995 63.200 -0.208 0.000 0.976 74 S HN 0.230 nan 8.310 nan 0.000 0.471 75 T N 4.097 118.486 114.554 -0.275 0.000 2.737 75 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 75 T C 1.155 175.731 174.700 -0.207 0.000 1.040 75 T CA 1.671 63.619 62.100 -0.253 0.000 1.142 75 T CB -0.323 68.432 68.868 -0.187 0.000 0.861 75 T HN 0.681 nan 8.240 nan 0.000 0.456 76 D N 0.655 120.960 120.400 -0.157 0.000 2.182 76 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 76 D C 2.350 178.596 176.300 -0.091 0.000 0.986 76 D CA 0.880 54.820 54.000 -0.099 0.000 0.847 76 D CB -0.009 40.749 40.800 -0.069 0.000 0.942 76 D HN 0.364 nan 8.370 nan 0.000 0.467 77 R N 0.486 120.883 120.500 -0.172 0.000 2.046 77 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 77 R C 2.604 178.769 176.300 -0.225 0.000 1.179 77 R CA 1.036 57.046 56.100 -0.150 0.000 0.952 77 R CB -1.143 29.013 30.300 -0.240 0.000 0.843 77 R HN 0.316 nan 8.270 nan 0.000 0.439 78 C N 0.302 119.150 119.300 -0.752 0.000 2.546 78 C HA 0.286 4.746 4.460 -0.000 0.000 0.275 78 C C 2.292 177.014 174.990 -0.446 0.000 1.393 78 C CA -0.545 57.999 59.018 -0.791 0.000 1.703 78 C CB -1.471 25.461 27.740 -1.347 0.000 1.710 78 C HN 0.505 nan 8.230 nan 0.000 0.581 79 G N 1.404 110.048 108.800 -0.261 0.000 2.469 79 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 79 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 79 G C 1.267 176.081 174.900 -0.143 0.000 1.150 79 G CA 1.380 46.365 45.100 -0.190 0.000 0.763 79 G HN 0.838 nan 8.290 nan 0.000 0.561 80 Y N 1.519 121.764 120.300 -0.092 0.000 2.173 80 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 80 Y C 2.399 178.259 175.900 -0.067 0.000 1.192 80 Y CA 1.999 60.088 58.100 -0.018 0.000 1.176 80 Y CB -0.476 38.021 38.460 0.063 0.000 0.969 80 Y HN 0.345 nan 8.280 nan 0.000 0.519 81 M N -0.881 117.987 119.600 -1.220 0.000 2.568 81 M HA 0.274 4.754 4.480 -0.000 0.000 0.226 81 M C 0.387 176.257 176.300 -0.716 0.000 1.148 81 M CA 0.789 55.153 55.300 -1.560 0.000 1.007 81 M CB -0.054 31.004 32.600 -2.571 0.000 1.651 81 M HN 0.341 nan 8.290 nan 0.000 0.488 82 L N 0.009 121.021 121.223 -0.352 0.000 2.556 82 L HA 0.329 4.669 4.340 -0.000 0.000 0.226 82 L C 0.901 177.779 176.870 0.014 0.000 1.089 82 L CA -0.158 54.564 54.840 -0.197 0.000 0.864 82 L CB 0.030 41.938 42.059 -0.251 0.000 1.067 82 L HN 0.337 nan 8.230 nan 0.000 0.477 83 R N 0.808 121.356 120.500 0.079 0.000 2.641 83 R HA 0.005 4.345 4.340 -0.000 0.000 0.269 83 R C 1.133 177.555 176.300 0.203 0.000 1.074 83 R CA -0.116 56.041 56.100 0.095 0.000 1.133 83 R CB 0.877 31.231 30.300 0.091 0.000 1.029 83 R HN -0.045 nan 8.270 nan 0.000 0.488 84 K N 0.823 121.193 120.400 -0.050 0.000 2.113 84 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 84 K C 1.535 178.224 176.600 0.150 0.000 1.047 84 K CA 2.256 58.467 56.287 -0.127 0.000 0.928 84 K CB -0.044 32.181 32.500 -0.458 0.000 0.716 84 K HN 0.761 nan 8.250 nan 0.000 0.446 85 T N -2.358 112.286 114.554 0.149 0.000 2.995 85 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 85 T C 1.458 176.287 174.700 0.215 0.000 1.091 85 T CA 0.736 62.933 62.100 0.162 0.000 1.128 85 T CB -0.438 68.507 68.868 0.129 0.000 0.891 85 T HN 0.536 nan 8.240 nan 0.000 0.492 86 W N 0.997 122.379 121.300 0.137 0.000 2.374 86 W HA 0.089 4.749 4.660 -0.000 0.000 0.288 86 W C 1.634 178.189 176.519 0.061 0.000 1.218 86 W CA 0.179 57.600 57.345 0.127 0.000 1.245 86 W CB -0.468 29.057 29.460 0.109 0.000 1.126 86 W HN 0.245 nan 8.180 nan 0.000 0.545 87 F N 1.862 121.774 119.950 -0.064 0.000 2.335 87 F HA -0.056 4.471 4.527 -0.000 0.000 0.296 87 F C 2.360 178.009 175.800 -0.252 0.000 1.091 87 F CA 1.968 59.755 58.000 -0.355 0.000 1.399 87 F CB -0.647 38.108 39.000 -0.409 0.000 1.067 87 F HN 0.051 nan 8.300 nan 0.000 0.520 88 N N -0.451 118.246 118.700 -0.006 0.000 2.299 88 N HA 0.016 4.756 4.740 -0.000 0.000 0.187 88 N C 0.107 175.554 175.510 -0.105 0.000 1.099 88 N CA 0.658 53.682 53.050 -0.044 0.000 0.867 88 N CB 0.143 38.703 38.487 0.121 0.000 0.974 88 N HN 0.287 nan 8.380 nan 0.000 0.477 89 S N -0.731 114.897 115.700 -0.120 0.000 2.709 89 S HA 0.384 4.854 4.470 -0.000 0.000 0.302 89 S C -0.740 173.782 174.600 -0.129 0.000 1.127 89 S CA -0.786 57.359 58.200 -0.092 0.000 0.905 89 S CB 2.055 65.242 63.200 -0.021 0.000 1.151 89 S HN -0.011 nan 8.310 nan 0.000 0.510 90 D N 1.088 121.441 120.400 -0.079 0.000 2.670 90 D HA 0.238 4.878 4.640 -0.000 0.000 0.255 90 D C -0.632 175.661 176.300 -0.012 0.000 1.286 90 D CA 0.018 53.979 54.000 -0.065 0.000 0.830 90 D CB 0.644 41.407 40.800 -0.062 0.000 1.065 90 D HN 0.514 nan 8.370 nan 0.000 0.486 91 T N 1.223 115.785 114.554 0.013 0.000 2.737 91 T HA 0.117 4.467 4.350 -0.000 0.000 0.296 91 T C 0.677 175.421 174.700 0.073 0.000 0.922 91 T CA -0.349 61.775 62.100 0.041 0.000 1.079 91 T CB 1.198 70.097 68.868 0.052 0.000 0.892 91 T HN -0.118 nan 8.240 nan 0.000 0.514 92 K N 5.526 125.961 120.400 0.058 0.000 2.402 92 K HA 0.071 4.391 4.320 -0.000 0.000 0.279 92 K C -1.704 174.941 176.600 0.075 0.000 1.082 92 K CA -0.898 55.430 56.287 0.068 0.000 1.080 92 K CB 0.058 32.581 32.500 0.038 0.000 0.899 92 K HN 0.461 nan 8.250 nan 0.000 0.469 93 P HA -0.046 nan 4.420 nan 0.000 0.274 93 P C 0.613 177.911 177.300 -0.005 0.000 1.237 93 P CA -0.246 62.898 63.100 0.073 0.000 0.793 93 P CB 1.256 33.012 31.700 0.094 0.000 0.977 94 T N 0.951 115.499 114.554 -0.010 0.000 2.701 94 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 94 T C 1.065 175.730 174.700 -0.058 0.000 1.040 94 T CA 0.716 62.804 62.100 -0.021 0.000 1.147 94 T CB -0.492 68.377 68.868 0.002 0.000 0.865 94 T HN 0.272 nan 8.240 nan 0.000 0.426 95 V N 3.035 122.883 119.914 -0.110 0.000 2.988 95 V HA -0.004 4.116 4.120 -0.000 0.000 0.272 95 V C -0.013 176.037 176.094 -0.074 0.000 1.539 95 V CA 1.075 63.302 62.300 -0.122 0.000 1.508 95 V CB 0.207 31.851 31.823 -0.298 0.000 0.887 95 V HN 0.817 nan 8.190 nan 0.000 0.522 96 S N 3.966 119.656 115.700 -0.018 0.000 2.718 96 S HA 0.631 5.101 4.470 -0.000 0.000 0.294 96 S C -0.971 173.659 174.600 0.050 0.000 1.157 96 S CA -0.733 57.470 58.200 0.005 0.000 1.121 96 S CB 1.451 64.654 63.200 0.006 0.000 1.015 96 S HN 0.896 nan 8.310 nan 0.000 0.479 97 D N 1.300 121.748 120.400 0.081 0.000 2.780 97 D HA 0.372 5.012 4.640 -0.000 0.000 0.242 97 D C 0.401 176.784 176.300 0.138 0.000 1.135 97 D CA -0.529 53.566 54.000 0.158 0.000 0.859 97 D CB 1.713 42.695 40.800 0.303 0.000 1.530 97 D HN 0.277 nan 8.370 nan 0.000 0.493 98 D N 2.115 122.605 120.400 0.150 0.000 2.149 98 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 98 D C 1.468 177.858 176.300 0.150 0.000 1.001 98 D CA 1.075 55.150 54.000 0.126 0.000 0.849 98 D CB -0.065 40.822 40.800 0.146 0.000 0.939 98 D HN 0.416 nan 8.370 nan 0.000 0.449 99 F N 1.434 121.429 119.950 0.074 0.000 2.022 99 F HA -0.178 4.349 4.527 -0.000 0.000 0.293 99 F C 2.323 178.102 175.800 -0.034 0.000 1.142 99 F CA 0.935 58.969 58.000 0.056 0.000 1.177 99 F CB -0.395 38.541 39.000 -0.106 0.000 0.982 99 F HN -0.188 nan 8.300 nan 0.000 0.473 100 I N 0.648 121.214 120.570 -0.005 0.000 2.121 100 I HA -0.422 3.748 4.170 -0.000 0.000 0.243 100 I C 2.351 178.347 176.117 -0.202 0.000 1.047 100 I CA 2.272 63.494 61.300 -0.129 0.000 1.308 100 I CB -2.012 36.030 38.000 0.069 0.000 1.015 100 I HN 0.270 nan 8.210 nan 0.000 0.410 101 T N 0.413 114.896 114.554 -0.118 0.000 2.635 101 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 101 T C 1.799 176.367 174.700 -0.219 0.000 1.040 101 T CA 2.769 64.788 62.100 -0.133 0.000 1.156 101 T CB -0.505 68.313 68.868 -0.083 0.000 0.863 101 T HN 0.648 nan 8.240 nan 0.000 0.430 102 T N -1.452 112.925 114.554 -0.295 0.000 3.067 102 T HA 0.078 4.428 4.350 -0.000 0.000 0.257 102 T C 1.412 175.704 174.700 -0.680 0.000 1.105 102 T CA 0.473 62.292 62.100 -0.469 0.000 1.104 102 T CB -0.277 68.267 68.868 -0.541 0.000 0.925 102 T HN 0.543 nan 8.240 nan 0.000 0.498 103 Y N 0.061 120.058 120.300 -0.506 0.000 2.452 103 Y HA 0.503 5.053 4.550 -0.000 0.000 0.262 103 Y C 0.375 175.978 175.900 -0.495 0.000 1.089 103 Y CA -0.982 56.794 58.100 -0.541 0.000 1.262 103 Y CB 0.985 38.953 38.460 -0.821 0.000 1.236 103 Y HN 0.158 nan 8.280 nan 0.000 0.512 104 I N 3.319 123.641 120.570 -0.413 0.000 2.328 104 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 104 I C -0.286 175.688 176.117 -0.238 0.000 1.012 104 I CA -0.441 60.618 61.300 -0.402 0.000 1.195 104 I CB 0.419 38.020 38.000 -0.665 0.000 1.350 104 I HN 0.274 nan 8.210 nan 0.000 0.464 105 R N 4.984 125.383 120.500 -0.167 0.000 2.690 105 R HA 0.641 4.981 4.340 -0.000 0.000 0.269 105 R C -3.285 172.969 176.300 -0.077 0.000 1.037 105 R CA -1.760 54.275 56.100 -0.109 0.000 0.877 105 R CB 0.763 30.993 30.300 -0.116 0.000 1.255 105 R HN 0.057 nan 8.270 nan 0.000 0.467 106 P HA 0.041 nan 4.420 nan 0.000 0.264 106 P C -0.334 176.935 177.300 -0.052 0.000 1.183 106 P CA -0.257 62.822 63.100 -0.036 0.000 0.763 106 P CB 0.544 32.227 31.700 -0.028 0.000 0.807 107 R N 1.951 122.421 120.500 -0.050 0.000 2.444 107 R HA 0.249 4.589 4.340 -0.000 0.000 0.201 107 R C 0.511 176.769 176.300 -0.069 0.000 0.861 107 R CA 0.149 56.208 56.100 -0.069 0.000 1.034 107 R CB -0.242 30.007 30.300 -0.084 0.000 1.347 107 R HN 0.370 nan 8.270 nan 0.000 0.659 108 L N 3.365 124.552 121.223 -0.060 0.000 2.380 108 L HA 0.157 4.497 4.340 -0.000 0.000 0.273 108 L C 0.534 177.383 176.870 -0.035 0.000 1.138 108 L CA -0.479 54.328 54.840 -0.055 0.000 0.832 108 L CB 0.630 42.663 42.059 -0.044 0.000 1.124 108 L HN -0.003 nan 8.230 nan 0.000 0.454 109 Q N 3.140 122.919 119.800 -0.035 0.000 2.297 109 Q HA 0.313 4.653 4.340 -0.000 0.000 0.267 109 Q C -0.990 175.001 176.000 -0.015 0.000 1.006 109 Q CA -0.005 55.783 55.803 -0.026 0.000 0.896 109 Q CB 1.475 30.196 28.738 -0.028 0.000 1.186 109 Q HN 0.412 nan 8.270 nan 0.000 0.392 110 V N 6.306 126.212 119.914 -0.013 0.000 2.513 110 V HA 0.584 4.704 4.120 -0.000 0.000 0.299 110 V C -1.952 174.137 176.094 -0.009 0.000 1.035 110 V CA -1.845 60.451 62.300 -0.007 0.000 0.889 110 V CB 1.867 33.686 31.823 -0.006 0.000 0.988 110 V HN 1.096 nan 8.190 nan 0.000 0.440 111 P HA 0.028 nan 4.420 nan 0.000 0.252 111 P C 1.384 178.683 177.300 -0.001 0.000 1.218 111 P CA 0.160 63.258 63.100 -0.003 0.000 0.807 111 P CB 0.315 32.013 31.700 -0.004 0.000 1.072 112 M N 1.267 120.865 119.600 -0.004 0.000 2.128 112 M HA -0.200 4.280 4.480 -0.000 0.000 0.253 112 M C 1.919 178.220 176.300 0.002 0.000 1.079 112 M CA 1.854 57.152 55.300 -0.003 0.000 1.082 112 M CB -1.395 31.201 32.600 -0.006 0.000 1.335 112 M HN -0.184 nan 8.290 nan 0.000 0.401 113 S N 0.463 116.165 115.700 0.004 0.000 2.351 113 S HA -0.171 4.299 4.470 -0.000 0.000 0.220 113 S C 1.571 176.187 174.600 0.027 0.000 1.035 113 S CA 1.614 59.824 58.200 0.017 0.000 1.031 113 S CB -0.687 62.525 63.200 0.021 0.000 0.928 113 S HN 0.591 nan 8.310 nan 0.000 0.433 114 D N 1.096 121.509 120.400 0.022 0.000 2.123 114 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 114 D C 2.047 178.350 176.300 0.006 0.000 0.992 114 D CA 1.416 55.426 54.000 0.016 0.000 0.833 114 D CB -0.912 39.891 40.800 0.006 0.000 0.954 114 D HN 0.351 nan 8.370 nan 0.000 0.455 115 T N 1.233 115.788 114.554 0.003 0.000 2.665 115 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 115 T C 2.322 177.021 174.700 -0.003 0.000 1.035 115 T CA 1.041 63.140 62.100 -0.002 0.000 1.151 115 T CB -0.478 68.389 68.868 -0.001 0.000 0.862 115 T HN -0.002 nan 8.240 nan 0.000 0.438 116 V N 1.365 121.281 119.914 0.004 0.000 2.307 116 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 116 V C 2.664 178.760 176.094 0.003 0.000 1.045 116 V CA 1.737 64.040 62.300 0.005 0.000 1.024 116 V CB -0.634 31.197 31.823 0.013 0.000 0.651 116 V HN 0.379 nan 8.190 nan 0.000 0.449 117 R N -0.186 120.323 120.500 0.014 0.000 2.103 117 R HA -0.265 4.075 4.340 -0.000 0.000 0.242 117 R C 2.317 178.601 176.300 -0.027 0.000 1.142 117 R CA 2.234 58.340 56.100 0.011 0.000 0.960 117 R CB -0.177 30.140 30.300 0.028 0.000 0.858 117 R HN 0.636 nan 8.270 nan 0.000 0.439 118 Q N 0.192 119.972 119.800 -0.033 0.000 2.020 118 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 118 Q C 2.315 178.266 176.000 -0.082 0.000 0.974 118 Q CA 1.426 57.192 55.803 -0.062 0.000 0.829 118 Q CB -0.134 28.580 28.738 -0.040 0.000 0.894 118 Q HN 0.356 nan 8.270 nan 0.000 0.433 119 L N 1.236 122.429 121.223 -0.050 0.000 2.270 119 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 119 L C 2.085 178.918 176.870 -0.061 0.000 1.107 119 L CA 0.936 55.747 54.840 -0.048 0.000 0.772 119 L CB -0.470 41.576 42.059 -0.023 0.000 0.902 119 L HN 0.347 nan 8.230 nan 0.000 0.439 120 N N 0.278 118.942 118.700 -0.059 0.000 2.216 120 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 120 N C 1.507 176.953 175.510 -0.106 0.000 1.017 120 N CA 0.953 53.971 53.050 -0.054 0.000 0.861 120 N CB -0.019 38.456 38.487 -0.021 0.000 0.986 120 N HN 0.150 nan 8.380 nan 0.000 0.428 121 N N -0.111 118.477 118.700 -0.188 0.000 2.334 121 N HA -0.110 4.630 4.740 -0.000 0.000 0.187 121 N C 0.599 175.850 175.510 -0.431 0.000 1.016 121 N CA 0.802 53.634 53.050 -0.364 0.000 0.879 121 N CB -0.124 38.016 38.487 -0.578 0.000 0.965 121 N HN 0.323 nan 8.380 nan 0.000 0.438 122 L N -0.233 120.828 121.223 -0.269 0.000 2.640 122 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 122 L C 0.289 177.132 176.870 -0.045 0.000 1.123 122 L CA 0.062 54.818 54.840 -0.140 0.000 0.900 122 L CB -0.149 41.860 42.059 -0.082 0.000 1.146 122 L HN -0.153 nan 8.230 nan 0.000 0.484 123 S N 0.063 115.737 115.700 -0.044 0.000 2.562 123 S HA 0.153 4.623 4.470 -0.000 0.000 0.281 123 S C 1.335 175.941 174.600 0.010 0.000 1.333 123 S CA -0.604 57.590 58.200 -0.009 0.000 1.052 123 S CB 1.119 64.317 63.200 -0.004 0.000 0.884 123 S HN -0.001 nan 8.310 nan 0.000 0.506 124 L N 1.580 122.814 121.223 0.017 0.000 1.989 124 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 124 L C 1.373 178.261 176.870 0.029 0.000 1.071 124 L CA 1.873 56.728 54.840 0.025 0.000 0.749 124 L CB -0.688 41.384 42.059 0.021 0.000 0.890 124 L HN 0.703 nan 8.230 nan 0.000 0.431 125 Q N 0.363 120.179 119.800 0.028 0.000 2.700 125 Q HA 0.285 4.625 4.340 -0.000 0.000 0.249 125 Q C -2.069 173.953 176.000 0.037 0.000 1.033 125 Q CA -1.505 54.318 55.803 0.033 0.000 0.804 125 Q CB 1.200 29.956 28.738 0.030 0.000 1.164 125 Q HN 0.213 nan 8.270 nan 0.000 0.500 126 P HA 0.050 nan 4.420 nan 0.000 0.286 126 P C -0.183 177.153 177.300 0.060 0.000 1.293 126 P CA -0.446 62.682 63.100 0.048 0.000 0.770 126 P CB 0.864 32.595 31.700 0.051 0.000 1.206 127 S N -1.239 114.503 115.700 0.070 0.000 2.531 127 S HA 0.328 4.798 4.470 -0.000 0.000 0.279 127 S C 1.389 176.045 174.600 0.093 0.000 1.305 127 S CA -0.021 58.227 58.200 0.080 0.000 1.058 127 S CB -0.083 63.172 63.200 0.092 0.000 0.899 127 S HN 0.504 nan 8.310 nan 0.000 0.493 128 A N 5.475 128.346 122.820 0.085 0.000 1.969 128 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 128 A C 0.936 178.588 177.584 0.113 0.000 1.169 128 A CA 1.093 53.186 52.037 0.093 0.000 0.635 128 A CB -0.012 19.033 19.000 0.076 0.000 0.810 128 A HN 0.653 nan 8.150 nan 0.000 0.445 129 K N 0.983 121.452 120.400 0.114 0.000 2.606 129 K HA 0.288 4.608 4.320 -0.000 0.000 0.196 129 K C -2.846 173.860 176.600 0.175 0.000 1.048 129 K CA -1.935 54.436 56.287 0.140 0.000 1.017 129 K CB 1.017 33.576 32.500 0.099 0.000 1.413 129 K HN 0.357 nan 8.250 nan 0.000 0.568 130 P HA 0.013 nan 4.420 nan 0.000 0.270 130 P C -0.148 177.317 177.300 0.275 0.000 1.227 130 P CA -0.075 63.149 63.100 0.206 0.000 0.788 130 P CB 1.176 32.989 31.700 0.189 0.000 0.926 131 K N 0.335 120.878 120.400 0.238 0.000 2.120 131 K HA 0.207 4.527 4.320 -0.000 0.000 0.245 131 K C 1.596 178.299 176.600 0.173 0.000 1.024 131 K CA -0.672 55.768 56.287 0.255 0.000 0.906 131 K CB 0.299 32.931 32.500 0.219 0.000 1.051 131 K HN 0.360 nan 8.250 nan 0.000 0.491 132 L N 0.714 121.951 121.223 0.023 0.000 2.141 132 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 132 L C 2.259 179.182 176.870 0.087 0.000 1.094 132 L CA 0.980 55.752 54.840 -0.114 0.000 0.763 132 L CB -0.343 41.507 42.059 -0.349 0.000 0.908 132 L HN 0.632 nan 8.230 nan 0.000 0.437 133 Y N 1.402 121.706 120.300 0.006 0.000 2.040 133 Y HA -0.410 4.140 4.550 -0.000 0.000 0.275 133 Y C 2.628 178.519 175.900 -0.015 0.000 1.171 133 Y CA 2.275 60.385 58.100 0.017 0.000 1.123 133 Y CB -0.472 38.002 38.460 0.023 0.000 0.963 133 Y HN 0.249 nan 8.280 nan 0.000 0.493 134 E N -0.249 119.897 120.200 -0.091 0.000 2.086 134 E HA -0.322 4.028 4.350 -0.000 0.000 0.200 134 E C 2.426 178.820 176.600 -0.344 0.000 1.012 134 E CA 1.842 58.104 56.400 -0.230 0.000 0.812 134 E CB -0.234 29.435 29.700 -0.051 0.000 0.743 134 E HN 0.499 nan 8.360 nan 0.000 0.453 135 R N -0.144 120.205 120.500 -0.252 0.000 2.073 135 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 135 R C 2.676 178.696 176.300 -0.467 0.000 1.134 135 R CA 1.928 57.760 56.100 -0.448 0.000 0.952 135 R CB -0.165 30.064 30.300 -0.117 0.000 0.850 135 R HN 0.329 nan 8.270 nan 0.000 0.433 136 Q N 0.062 119.775 119.800 -0.145 0.000 2.077 136 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 136 Q C 1.851 177.700 176.000 -0.251 0.000 0.989 136 Q CA 1.429 57.211 55.803 -0.035 0.000 0.853 136 Q CB -0.198 28.593 28.738 0.088 0.000 0.907 136 Q HN 0.351 nan 8.270 nan 0.000 0.418 137 N N 0.263 118.725 118.700 -0.397 0.000 2.120 137 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 137 N C 1.689 176.975 175.510 -0.372 0.000 1.024 137 N CA 1.321 54.130 53.050 -0.402 0.000 0.852 137 N CB -0.251 37.940 38.487 -0.493 0.000 1.003 137 N HN 0.244 nan 8.380 nan 0.000 0.424 138 A N 1.836 124.366 122.820 -0.484 0.000 1.835 138 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 138 A C 2.326 179.658 177.584 -0.419 0.000 1.199 138 A CA 1.021 52.761 52.037 -0.497 0.000 0.615 138 A CB -0.909 17.543 19.000 -0.914 0.000 0.838 138 A HN 0.201 nan 8.150 nan 0.000 0.444 139 I N -1.038 119.185 120.570 -0.580 0.000 2.315 139 I HA -0.318 3.852 4.170 -0.000 0.000 0.251 139 I C 2.700 178.732 176.117 -0.142 0.000 1.125 139 I CA 2.121 63.162 61.300 -0.433 0.000 1.392 139 I CB -0.210 37.372 38.000 -0.696 0.000 1.065 139 I HN 0.530 nan 8.210 nan 0.000 0.424 140 M N 0.088 119.576 119.600 -0.186 0.000 2.557 140 M HA -0.045 4.435 4.480 -0.000 0.000 0.262 140 M C 1.767 177.875 176.300 -0.319 0.000 1.168 140 M CA 1.507 56.647 55.300 -0.266 0.000 1.194 140 M CB 0.256 32.613 32.600 -0.404 0.000 1.311 140 M HN -0.104 nan 8.290 nan 0.000 0.489 141 K N -0.179 120.062 120.400 -0.265 0.000 2.353 141 K HA 0.256 4.576 4.320 -0.000 0.000 0.195 141 K C 0.612 177.128 176.600 -0.141 0.000 1.031 141 K CA 0.554 56.714 56.287 -0.211 0.000 1.079 141 K CB 0.583 32.961 32.500 -0.204 0.000 0.857 141 K HN 0.594 nan 8.250 nan 0.000 0.535 142 G N 2.161 110.879 108.800 -0.137 0.000 2.198 142 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 142 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 142 G C -0.047 174.807 174.900 -0.077 0.000 1.042 142 G CA -0.108 44.943 45.100 -0.083 0.000 0.791 142 G HN 0.122 nan 8.290 nan 0.000 0.502 143 L N -0.186 120.962 121.223 -0.125 0.000 2.466 143 L HA 0.376 4.716 4.340 -0.000 0.000 0.257 143 L C 0.877 177.706 176.870 -0.070 0.000 1.189 143 L CA -0.761 54.018 54.840 -0.102 0.000 0.813 143 L CB 0.332 42.302 42.059 -0.148 0.000 1.118 143 L HN 0.090 nan 8.230 nan 0.000 0.471 144 D N 0.775 121.160 120.400 -0.024 0.000 2.358 144 D HA 0.357 4.997 4.640 -0.000 0.000 0.244 144 D C -0.536 175.773 176.300 0.015 0.000 1.163 144 D CA 0.066 54.088 54.000 0.037 0.000 0.945 144 D CB 1.739 42.590 40.800 0.087 0.000 1.152 144 D HN 0.224 nan 8.370 nan 0.000 0.451 145 I N 1.471 122.096 120.570 0.092 0.000 2.569 145 I HA 0.229 4.399 4.170 -0.000 0.000 0.296 145 I C -2.275 173.916 176.117 0.123 0.000 1.028 145 I CA -2.585 58.770 61.300 0.092 0.000 1.082 145 I CB 2.463 40.569 38.000 0.177 0.000 1.264 145 I HN 0.078 nan 8.210 nan 0.000 0.429 146 P HA -0.140 nan 4.420 nan 0.000 0.259 146 P C -0.094 177.304 177.300 0.163 0.000 1.163 146 P CA 0.337 63.445 63.100 0.014 0.000 0.760 146 P CB 0.152 31.861 31.700 0.016 0.000 0.762 147 Y N 1.491 121.818 120.300 0.045 0.000 2.298 147 Y HA -0.145 4.405 4.550 -0.000 0.000 0.287 147 Y C 2.549 178.472 175.900 0.039 0.000 1.164 147 Y CA 1.214 59.338 58.100 0.040 0.000 1.229 147 Y CB -1.315 37.161 38.460 0.027 0.000 0.977 147 Y HN 0.328 nan 8.280 nan 0.000 0.538 148 S N -0.569 115.242 115.700 0.186 0.000 2.575 148 S HA 0.068 4.538 4.470 -0.000 0.000 0.237 148 S C 0.325 174.986 174.600 0.103 0.000 0.975 148 S CA -0.501 57.771 58.200 0.120 0.000 0.960 148 S CB -0.349 62.905 63.200 0.090 0.000 0.822 148 S HN 0.451 nan 8.310 nan 0.000 0.472 149 E N 2.163 122.435 120.200 0.121 0.000 2.338 149 E HA 0.247 4.597 4.350 -0.000 0.000 0.272 149 E C -2.607 174.069 176.600 0.126 0.000 1.029 149 E CA -2.001 54.472 56.400 0.121 0.000 0.872 149 E CB 0.674 30.458 29.700 0.141 0.000 1.015 149 E HN 0.184 nan 8.360 nan 0.000 0.417 150 P HA 0.220 nan 4.420 nan 0.000 0.277 150 P C -1.120 176.263 177.300 0.138 0.000 1.240 150 P CA -0.290 62.887 63.100 0.127 0.000 0.798 150 P CB 0.675 32.443 31.700 0.114 0.000 0.979 151 I N 0.214 120.869 120.570 0.141 0.000 2.802 151 I HA 0.231 4.401 4.170 -0.000 0.000 0.298 151 I C -1.030 175.131 176.117 0.073 0.000 1.176 151 I CA -0.755 60.608 61.300 0.106 0.000 1.025 151 I CB 2.195 40.239 38.000 0.074 0.000 1.243 151 I HN 0.229 nan 8.210 nan 0.000 0.424 152 E N 8.569 128.788 120.200 0.031 0.000 2.001 152 E HA 0.264 4.614 4.350 -0.000 0.000 0.279 152 E C -1.748 174.813 176.600 -0.066 0.000 1.045 152 E CA -1.613 54.772 56.400 -0.026 0.000 0.833 152 E CB 0.794 30.503 29.700 0.015 0.000 1.077 152 E HN 0.414 nan 8.360 nan 0.000 0.397 153 P HA -0.318 nan 4.420 nan 0.000 0.220 153 P C 1.519 178.842 177.300 0.037 0.000 1.155 153 P CA 1.482 64.547 63.100 -0.058 0.000 0.880 153 P CB -0.172 31.366 31.700 -0.270 0.000 0.790 154 C N -1.033 118.261 119.300 -0.010 0.000 2.409 154 C HA 0.029 4.489 4.460 -0.000 0.000 0.288 154 C C 2.458 177.459 174.990 0.018 0.000 1.395 154 C CA 0.307 59.330 59.018 0.008 0.000 1.792 154 C CB -1.930 25.857 27.740 0.079 0.000 1.847 154 C HN 0.156 nan 8.230 nan 0.000 0.534 155 K N 0.915 121.325 120.400 0.017 0.000 2.167 155 K HA 0.139 4.459 4.320 -0.000 0.000 0.203 155 K C 2.017 178.628 176.600 0.019 0.000 1.052 155 K CA 0.974 57.285 56.287 0.040 0.000 0.956 155 K CB -0.204 32.333 32.500 0.062 0.000 0.735 155 K HN 0.532 nan 8.250 nan 0.000 0.451 156 L N 0.612 121.785 121.223 -0.083 0.000 2.275 156 L HA -0.055 4.285 4.340 -0.000 0.000 0.215 156 L C 1.117 178.041 176.870 0.089 0.000 1.119 156 L CA 0.001 54.794 54.840 -0.079 0.000 0.790 156 L CB -0.394 41.676 42.059 0.019 0.000 0.919 156 L HN 0.105 nan 8.230 nan 0.000 0.443 157 F N 1.523 121.307 119.950 -0.277 0.000 2.646 157 F HA 0.073 4.600 4.527 -0.000 0.000 0.363 157 F C 0.686 176.280 175.800 -0.343 0.000 1.143 157 F CA 0.355 57.904 58.000 -0.751 0.000 1.356 157 F CB 0.279 38.754 39.000 -0.875 0.000 1.055 157 F HN -0.100 nan 8.300 nan 0.000 0.606 158 R N 2.600 122.138 120.500 -1.604 0.000 2.561 158 R HA 0.300 4.640 4.340 -0.000 0.000 0.266 158 R C -1.071 174.529 176.300 -1.168 0.000 1.091 158 R CA -0.625 54.925 56.100 -0.916 0.000 0.927 158 R CB 1.770 31.900 30.300 -0.283 0.000 1.240 158 R HN 0.718 nan 8.270 nan 0.000 0.449 159 S N 1.248 116.589 115.700 -0.599 0.000 2.558 159 S HA 0.152 4.622 4.470 -0.000 0.000 0.293 159 S C -0.413 174.110 174.600 -0.129 0.000 1.292 159 S CA -0.235 57.818 58.200 -0.245 0.000 1.063 159 S CB 0.864 64.042 63.200 -0.037 0.000 0.831 159 S HN 0.358 nan 8.310 nan 0.000 0.499 160 V N 2.081 121.999 119.914 0.007 0.000 3.102 160 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 160 V C 0.919 177.060 176.094 0.079 0.000 1.135 160 V CA -0.120 62.216 62.300 0.061 0.000 1.022 160 V CB 1.565 33.468 31.823 0.134 0.000 1.056 160 V HN 0.947 nan 8.190 nan 0.000 0.436 161 A N 3.275 126.129 122.820 0.057 0.000 1.894 161 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 161 A C 2.014 179.640 177.584 0.070 0.000 1.237 161 A CA 3.052 55.120 52.037 0.051 0.000 0.660 161 A CB -1.601 17.420 19.000 0.035 0.000 0.835 161 A HN 1.636 nan 8.150 nan 0.000 0.461 162 G N -0.106 108.746 108.800 0.087 0.000 2.736 162 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 162 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 162 G C 0.836 175.810 174.900 0.125 0.000 1.327 162 G CA 0.984 46.146 45.100 0.103 0.000 0.818 162 G HN 0.931 nan 8.290 nan 0.000 0.611 163 Q N -0.482 119.426 119.800 0.180 0.000 2.257 163 Q HA 0.495 4.835 4.340 -0.000 0.000 0.255 163 Q C 0.608 176.739 176.000 0.219 0.000 0.920 163 Q CA 0.053 55.973 55.803 0.196 0.000 0.927 163 Q CB 1.771 30.657 28.738 0.247 0.000 1.229 163 Q HN 0.147 nan 8.270 nan 0.000 0.433 164 T N 1.721 116.375 114.554 0.166 0.000 2.857 164 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 164 T C 0.568 175.416 174.700 0.246 0.000 1.048 164 T CA 1.227 63.422 62.100 0.158 0.000 1.139 164 T CB -0.203 68.722 68.868 0.096 0.000 0.874 164 T HN 0.772 nan 8.240 nan 0.000 0.455 165 G N -0.589 108.352 108.800 0.234 0.000 2.798 165 G HA2 0.476 4.436 3.960 -0.000 0.000 0.286 165 G HA3 0.476 4.436 3.960 -0.000 0.000 0.286 165 G C 0.031 174.855 174.900 -0.126 0.000 1.389 165 G CA -0.257 44.964 45.100 0.202 0.000 0.894 165 G HN 0.195 nan 8.290 nan 0.000 0.488 166 N N -1.282 117.064 118.700 -0.590 0.000 2.638 166 N HA 0.050 4.790 4.740 -0.000 0.000 0.220 166 N C 2.022 177.452 175.510 -0.133 0.000 1.031 166 N CA 0.150 52.758 53.050 -0.737 0.000 1.062 166 N CB 0.071 37.697 38.487 -1.435 0.000 1.406 166 N HN 0.264 nan 8.380 nan 0.000 0.495 167 I N 1.764 122.253 120.570 -0.134 0.000 2.208 167 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 167 I C -0.752 175.371 176.117 0.010 0.000 1.097 167 I CA 1.264 62.526 61.300 -0.063 0.000 1.363 167 I CB -2.171 35.692 38.000 -0.229 0.000 1.051 167 I HN 0.212 nan 8.210 nan 0.000 0.413 168 P HA -0.150 nan 4.420 nan 0.000 0.216 168 P C 1.936 179.246 177.300 0.016 0.000 1.150 168 P CA 1.201 64.296 63.100 -0.007 0.000 0.843 168 P CB -0.099 31.597 31.700 -0.006 0.000 0.787 169 M N -2.009 117.602 119.600 0.018 0.000 2.539 169 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 169 M C 1.997 178.297 176.300 -0.000 0.000 1.069 169 M CA 1.258 56.547 55.300 -0.018 0.000 1.081 169 M CB -1.213 31.345 32.600 -0.070 0.000 1.412 169 M HN 0.129 nan 8.290 nan 0.000 0.482 170 M N -0.202 119.490 119.600 0.153 0.000 2.086 170 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 170 M C 1.978 178.330 176.300 0.086 0.000 1.067 170 M CA 2.100 57.554 55.300 0.256 0.000 1.116 170 M CB -0.494 32.265 32.600 0.265 0.000 1.348 170 M HN 0.289 nan 8.290 nan 0.000 0.407 171 G N 0.489 109.310 108.800 0.035 0.000 2.418 171 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 171 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 171 G C 1.420 176.307 174.900 -0.021 0.000 1.158 171 G CA 0.910 46.012 45.100 0.003 0.000 0.771 171 G HN 0.516 nan 8.290 nan 0.000 0.545 172 I N -0.016 120.533 120.570 -0.036 0.000 2.286 172 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 172 I C 2.388 178.439 176.117 -0.110 0.000 1.115 172 I CA 0.481 61.743 61.300 -0.063 0.000 1.392 172 I CB -0.087 37.876 38.000 -0.063 0.000 1.065 172 I HN 0.084 nan 8.210 nan 0.000 0.418 173 L N 0.452 121.588 121.223 -0.146 0.000 2.376 173 L HA -0.057 4.283 4.340 -0.000 0.000 0.219 173 L C 2.369 179.156 176.870 -0.137 0.000 1.133 173 L CA 1.398 56.099 54.840 -0.232 0.000 0.816 173 L CB -0.776 41.085 42.059 -0.330 0.000 0.933 173 L HN 0.155 nan 8.230 nan 0.000 0.449 174 A N -2.228 120.551 122.820 -0.067 0.000 2.178 174 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 174 A C 1.046 178.605 177.584 -0.041 0.000 1.157 174 A CA 0.236 52.251 52.037 -0.037 0.000 0.780 174 A CB -0.467 18.529 19.000 -0.006 0.000 0.828 174 A HN 0.293 nan 8.150 nan 0.000 0.476 175 T N 2.988 117.511 114.554 -0.051 0.000 2.749 175 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 175 T C -2.579 172.091 174.700 -0.049 0.000 0.936 175 T CA -0.921 61.153 62.100 -0.042 0.000 1.060 175 T CB 1.022 69.866 68.868 -0.039 0.000 0.904 175 T HN 0.074 nan 8.240 nan 0.000 0.500 176 P HA 0.112 nan 4.420 nan 0.000 0.267 176 P C -2.188 175.089 177.300 -0.039 0.000 1.201 176 P CA -0.894 62.183 63.100 -0.038 0.000 0.775 176 P CB -0.153 31.532 31.700 -0.026 0.000 0.854 177 P HA 0.157 nan 4.420 nan 0.000 0.281 177 P C -0.321 176.965 177.300 -0.023 0.000 1.249 177 P CA -0.257 62.821 63.100 -0.037 0.000 0.810 177 P CB 1.333 33.008 31.700 -0.042 0.000 1.008 178 A N 2.160 124.970 122.820 -0.018 0.000 1.911 178 A HA 0.480 4.800 4.320 -0.000 0.000 0.212 178 A C 1.064 178.645 177.584 -0.005 0.000 1.189 178 A CA 1.504 53.535 52.037 -0.010 0.000 0.639 178 A CB -0.620 18.375 19.000 -0.008 0.000 0.839 178 A HN 0.797 nan 8.150 nan 0.000 0.449 179 A N -1.677 121.140 122.820 -0.004 0.000 2.581 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.290 179 A C -0.619 176.968 177.584 0.004 0.000 1.119 179 A CA -0.324 51.715 52.037 0.003 0.000 0.670 179 A CB 0.079 19.083 19.000 0.007 0.000 1.280 179 A HN 0.262 nan 8.150 nan 0.000 0.425 180 Q N 0.679 120.488 119.800 0.014 0.000 2.239 180 Q HA 0.124 4.464 4.340 -0.000 0.000 0.286 180 Q C -0.028 175.982 176.000 0.017 0.000 1.102 180 Q CA 0.731 56.545 55.803 0.019 0.000 0.936 180 Q CB 0.205 28.967 28.738 0.040 0.000 1.127 180 Q HN 0.627 nan 8.270 nan 0.000 0.380 181 Q N 2.055 121.860 119.800 0.009 0.000 2.162 181 Q HA 0.203 4.543 4.340 -0.000 0.000 0.197 181 Q C -0.796 175.224 176.000 0.034 0.000 1.013 181 Q CA -0.695 55.117 55.803 0.014 0.000 1.040 181 Q CB 0.885 29.621 28.738 -0.002 0.000 1.114 181 Q HN 0.581 nan 8.270 nan 0.000 0.547 182 Q N 0.530 120.358 119.800 0.047 0.000 2.312 182 Q HA 0.251 4.591 4.340 -0.000 0.000 0.236 182 Q C -2.317 173.753 176.000 0.118 0.000 0.965 182 Q CA -1.377 54.464 55.803 0.063 0.000 0.894 182 Q CB 0.612 29.388 28.738 0.063 0.000 1.225 182 Q HN 0.231 nan 8.270 nan 0.000 0.478 183 P HA 0.088 nan 4.420 nan 0.000 0.269 183 P C -1.360 176.133 177.300 0.321 0.000 1.217 183 P CA 0.213 63.414 63.100 0.167 0.000 0.783 183 P CB 0.301 32.006 31.700 0.008 0.000 0.898 184 F N -0.495 119.575 119.950 0.199 0.000 2.588 184 F HA 0.741 5.268 4.527 -0.000 0.000 0.310 184 F C -1.677 174.310 175.800 0.311 0.000 1.082 184 F CA -1.204 56.912 58.000 0.194 0.000 0.929 184 F CB 1.355 40.377 39.000 0.036 0.000 1.254 184 F HN 0.080 nan 8.300 nan 0.000 0.455 185 F N 3.812 123.874 119.950 0.187 0.000 2.539 185 F HA 0.681 5.208 4.527 -0.000 0.000 0.328 185 F C -0.836 175.167 175.800 0.337 0.000 1.148 185 F CA -0.775 57.346 58.000 0.201 0.000 0.940 185 F CB 1.884 41.058 39.000 0.290 0.000 1.194 185 F HN 0.663 nan 8.300 nan 0.000 0.438 186 V N 1.548 121.596 119.914 0.223 0.000 3.126 186 V HA 1.035 5.155 4.120 -0.000 0.000 0.314 186 V C -0.949 175.319 176.094 0.289 0.000 1.138 186 V CA -1.031 61.370 62.300 0.168 0.000 1.034 186 V CB 1.366 32.986 31.823 -0.338 0.000 1.075 186 V HN 0.913 nan 8.190 nan 0.000 0.442 187 A N 0.727 123.729 122.820 0.304 0.000 2.475 187 A HA 0.885 5.205 4.320 -0.000 0.000 0.301 187 A C -0.607 177.090 177.584 0.189 0.000 1.059 187 A CA -0.652 51.527 52.037 0.237 0.000 0.710 187 A CB 1.842 20.967 19.000 0.208 0.000 1.288 187 A HN 0.967 nan 8.150 nan 0.000 0.408 188 E N -0.146 120.001 120.200 -0.087 0.000 2.586 188 E HA 0.425 4.775 4.350 -0.000 0.000 0.232 188 E C 0.680 177.108 176.600 -0.286 0.000 0.854 188 E CA -0.956 55.138 56.400 -0.511 0.000 0.938 188 E CB 0.989 30.248 29.700 -0.734 0.000 1.518 188 E HN 0.602 nan 8.360 nan 0.000 0.400 189 R N 0.419 120.730 120.500 -0.316 0.000 2.057 189 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 189 R C 2.017 178.223 176.300 -0.158 0.000 1.136 189 R CA 1.105 57.127 56.100 -0.130 0.000 0.952 189 R CB 0.029 30.294 30.300 -0.057 0.000 0.848 189 R HN 0.231 nan 8.270 nan 0.000 0.430 190 R N 0.568 120.973 120.500 -0.159 0.000 2.397 190 R HA 0.080 4.420 4.340 -0.000 0.000 0.241 190 R C -0.364 175.894 176.300 -0.070 0.000 0.914 190 R CA -0.005 56.047 56.100 -0.080 0.000 1.071 190 R CB 0.443 30.749 30.300 0.009 0.000 1.116 190 R HN 0.104 nan 8.270 nan 0.000 0.524 191 R N -1.238 119.149 120.500 -0.189 0.000 2.752 191 R HA 0.397 4.737 4.340 -0.000 0.000 0.271 191 R C -1.378 174.844 176.300 -0.130 0.000 1.026 191 R CA -0.852 55.203 56.100 -0.075 0.000 0.901 191 R CB 0.927 31.270 30.300 0.072 0.000 1.243 191 R HN -0.089 nan 8.270 nan 0.000 0.463 192 I N 1.724 122.332 120.570 0.063 0.000 2.530 192 I HA 0.448 4.618 4.170 -0.000 0.000 0.297 192 I C -1.035 175.058 176.117 -0.041 0.000 1.011 192 I CA -1.250 60.096 61.300 0.077 0.000 1.107 192 I CB 1.808 39.975 38.000 0.279 0.000 1.285 192 I HN 0.399 nan 8.210 nan 0.000 0.436 193 L N 7.226 128.361 121.223 -0.147 0.000 2.386 193 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 193 L C -1.219 175.303 176.870 -0.581 0.000 0.993 193 L CA -0.771 53.887 54.840 -0.304 0.000 0.819 193 L CB 1.818 43.798 42.059 -0.132 0.000 1.294 193 L HN 0.487 nan 8.230 nan 0.000 0.414 194 F N 0.302 119.737 119.950 -0.858 0.000 2.654 194 F HA 0.979 5.506 4.527 -0.000 0.000 0.308 194 F C -0.227 174.986 175.800 -0.978 0.000 1.108 194 F CA -0.528 56.794 58.000 -1.130 0.000 0.957 194 F CB 1.872 40.206 39.000 -1.110 0.000 1.309 194 F HN 0.610 nan 8.300 nan 0.000 0.446 195 G N 1.397 109.634 108.800 -0.939 0.000 2.325 195 G HA2 0.500 4.460 3.960 -0.000 0.000 0.295 195 G HA3 0.500 4.460 3.960 -0.000 0.000 0.295 195 G C -2.384 172.413 174.900 -0.171 0.000 1.274 195 G CA -0.760 44.017 45.100 -0.539 0.000 0.857 195 G HN 0.891 nan 8.290 nan 0.000 0.499 196 I N 0.792 121.056 120.570 -0.511 0.000 2.534 196 I HA 0.471 4.641 4.170 -0.000 0.000 0.288 196 I C -0.127 175.859 176.117 -0.217 0.000 1.077 196 I CA -0.942 60.229 61.300 -0.215 0.000 1.051 196 I CB 2.380 40.216 38.000 -0.272 0.000 1.234 196 I HN 0.600 nan 8.210 nan 0.000 0.425 197 R N 3.608 124.072 120.500 -0.060 0.000 2.604 197 R HA 0.865 5.205 4.340 -0.000 0.000 0.287 197 R C -0.710 175.558 176.300 -0.053 0.000 0.970 197 R CA -0.791 55.256 56.100 -0.089 0.000 0.946 197 R CB 2.220 32.433 30.300 -0.145 0.000 1.127 197 R HN 0.597 nan 8.270 nan 0.000 0.473 198 S N 0.124 115.802 115.700 -0.037 0.000 2.565 198 S HA 0.138 4.608 4.470 -0.000 0.000 0.269 198 S C -0.213 174.380 174.600 -0.011 0.000 1.153 198 S CA -0.828 57.364 58.200 -0.013 0.000 0.835 198 S CB 1.451 64.657 63.200 0.010 0.000 1.122 198 S HN 0.854 nan 8.310 nan 0.000 0.462 199 N N 2.011 120.708 118.700 -0.006 0.000 2.424 199 N HA 0.219 4.959 4.740 -0.000 0.000 0.178 199 N C 0.530 176.042 175.510 0.003 0.000 1.060 199 N CA 0.510 53.557 53.050 -0.005 0.000 0.901 199 N CB -0.269 38.214 38.487 -0.006 0.000 0.979 199 N HN 0.624 nan 8.380 nan 0.000 0.451 200 A N 0.360 123.186 122.820 0.010 0.000 2.352 200 A HA 0.835 5.155 4.320 -0.000 0.000 0.299 200 A C -0.276 177.322 177.584 0.025 0.000 1.160 200 A CA -0.353 51.695 52.037 0.017 0.000 0.933 200 A CB 0.536 19.549 19.000 0.023 0.000 1.387 200 A HN 0.336 nan 8.150 nan 0.000 0.487 201 A N -0.456 122.381 122.820 0.030 0.000 2.302 201 A HA 0.637 4.957 4.320 -0.000 0.000 0.285 201 A C -0.407 177.214 177.584 0.061 0.000 1.105 201 A CA -0.278 51.782 52.037 0.037 0.000 0.816 201 A CB -0.045 18.973 19.000 0.030 0.000 1.067 201 A HN 0.617 nan 8.150 nan 0.000 0.489 202 I N 3.448 124.064 120.570 0.075 0.000 2.355 202 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 202 I C -1.958 174.235 176.117 0.127 0.000 0.999 202 I CA -2.149 59.221 61.300 0.118 0.000 1.163 202 I CB 1.969 40.040 38.000 0.118 0.000 1.316 202 I HN 0.538 nan 8.210 nan 0.000 0.454 203 P HA 0.002 nan 4.420 nan 0.000 0.269 203 P C -0.523 176.903 177.300 0.210 0.000 1.211 203 P CA -0.285 62.910 63.100 0.159 0.000 0.781 203 P CB 0.770 32.557 31.700 0.146 0.000 0.877 204 A N 1.598 124.497 122.820 0.132 0.000 2.409 204 A HA 0.610 4.930 4.320 -0.000 0.000 0.267 204 A C 0.741 178.418 177.584 0.154 0.000 1.127 204 A CA 0.701 52.816 52.037 0.131 0.000 0.795 204 A CB -0.567 18.473 19.000 0.066 0.000 1.061 204 A HN 0.819 nan 8.150 nan 0.000 0.502 205 G N -0.122 108.816 108.800 0.229 0.000 2.435 205 G HA2 0.645 4.605 3.960 -0.000 0.000 0.296 205 G HA3 0.645 4.605 3.960 -0.000 0.000 0.296 205 G C -0.947 174.021 174.900 0.114 0.000 1.240 205 G CA 0.127 45.282 45.100 0.093 0.000 0.872 205 G HN 1.719 nan 8.290 nan 0.000 0.480 206 A N -0.289 122.479 122.820 -0.086 0.000 2.267 206 A HA 0.768 5.088 4.320 -0.000 0.000 0.315 206 A C -1.439 176.063 177.584 -0.137 0.000 1.297 206 A CA -0.435 51.606 52.037 0.007 0.000 0.865 206 A CB 0.197 19.202 19.000 0.008 0.000 1.165 206 A HN 0.597 nan 8.150 nan 0.000 0.513 207 Y N 0.645 121.046 120.300 0.169 0.000 2.361 207 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 207 Y C 0.569 176.597 175.900 0.214 0.000 1.101 207 Y CA -0.529 57.676 58.100 0.175 0.000 1.137 207 Y CB 1.527 40.151 38.460 0.273 0.000 1.207 207 Y HN 0.694 nan 8.280 nan 0.000 0.463 208 Q N 1.931 121.830 119.800 0.166 0.000 2.271 208 Q HA 0.517 4.857 4.340 -0.000 0.000 0.258 208 Q C -1.944 174.064 176.000 0.015 0.000 0.936 208 Q CA -0.277 55.608 55.803 0.138 0.000 0.909 208 Q CB 0.580 29.342 28.738 0.040 0.000 1.253 208 Q HN 0.508 nan 8.270 nan 0.000 0.440 209 F N 2.475 122.463 119.950 0.063 0.000 2.507 209 F HA 0.441 4.968 4.527 -0.000 0.000 0.325 209 F C -0.526 175.239 175.800 -0.057 0.000 1.116 209 F CA -1.094 56.921 58.000 0.025 0.000 0.930 209 F CB 1.560 40.543 39.000 -0.029 0.000 1.146 209 F HN 0.259 nan 8.300 nan 0.000 0.447 210 V N 1.841 121.798 119.914 0.072 0.000 2.383 210 V HA 0.505 4.625 4.120 -0.000 0.000 0.275 210 V C -0.140 175.825 176.094 -0.216 0.000 1.036 210 V CA -1.059 61.207 62.300 -0.057 0.000 0.889 210 V CB 0.670 32.454 31.823 -0.064 0.000 0.985 210 V HN 0.479 nan 8.190 nan 0.000 0.459 211 V N 6.557 126.281 119.914 -0.316 0.000 2.529 211 V HA 0.191 4.311 4.120 -0.000 0.000 0.292 211 V C -1.733 173.974 176.094 -0.644 0.000 1.028 211 V CA -0.872 61.039 62.300 -0.648 0.000 1.074 211 V CB 0.304 31.853 31.823 -0.456 0.000 0.958 211 V HN 0.820 nan 8.190 nan 0.000 0.481 212 P HA 0.208 nan 4.420 nan 0.000 0.272 212 P C 0.733 177.659 177.300 -0.624 0.000 1.223 212 P CA -0.053 62.650 63.100 -0.661 0.000 0.784 212 P CB 0.785 32.056 31.700 -0.715 0.000 0.923 213 A N 3.585 126.217 122.820 -0.314 0.000 1.927 213 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 213 A C 1.924 179.406 177.584 -0.170 0.000 1.185 213 A CA 1.910 53.832 52.037 -0.191 0.000 0.639 213 A CB -1.735 17.226 19.000 -0.066 0.000 0.820 213 A HN 0.862 nan 8.150 nan 0.000 0.451 214 W N -1.140 120.099 121.300 -0.102 0.000 2.363 214 W HA 0.053 4.713 4.660 -0.000 0.000 0.296 214 W C 1.699 178.202 176.519 -0.025 0.000 1.212 214 W CA 1.221 58.523 57.345 -0.073 0.000 1.260 214 W CB -0.952 28.426 29.460 -0.137 0.000 1.131 214 W HN 0.408 nan 8.180 nan 0.000 0.530 215 A N 1.192 123.477 122.820 -0.892 0.000 2.275 215 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 215 A C 1.917 179.287 177.584 -0.358 0.000 1.201 215 A CA 0.851 52.459 52.037 -0.714 0.000 0.843 215 A CB -0.884 17.300 19.000 -1.359 0.000 0.873 215 A HN 0.299 nan 8.150 nan 0.000 0.492 216 S N -0.057 115.449 115.700 -0.323 0.000 2.727 216 S HA 0.046 4.516 4.470 -0.000 0.000 0.226 216 S C 1.104 175.651 174.600 -0.087 0.000 0.963 216 S CA 0.842 58.926 58.200 -0.193 0.000 0.950 216 S CB -0.730 62.360 63.200 -0.182 0.000 0.779 216 S HN 0.958 nan 8.310 nan 0.000 0.532 217 V N -2.730 117.154 119.914 -0.050 0.000 3.605 217 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 217 V C 0.527 176.633 176.094 0.020 0.000 1.386 217 V CA -0.493 61.805 62.300 -0.004 0.000 1.053 217 V CB -0.602 31.236 31.823 0.025 0.000 0.857 217 V HN 0.390 nan 8.190 nan 0.000 0.436 218 L N 1.930 123.176 121.223 0.038 0.000 2.467 218 L HA 0.506 4.846 4.340 -0.000 0.000 0.270 218 L C 0.394 177.273 176.870 0.016 0.000 1.205 218 L CA 0.815 55.712 54.840 0.096 0.000 0.828 218 L CB 1.251 43.446 42.059 0.226 0.000 1.101 218 L HN 0.408 nan 8.230 nan 0.000 0.479 219 S N 1.746 117.420 115.700 -0.045 0.000 2.566 219 S HA 0.640 5.110 4.470 -0.000 0.000 0.273 219 S C -0.886 173.495 174.600 -0.366 0.000 1.157 219 S CA -0.714 57.380 58.200 -0.176 0.000 0.938 219 S CB 1.462 64.598 63.200 -0.107 0.000 1.087 219 S HN 0.420 nan 8.310 nan 0.000 0.474 220 V N 1.718 121.261 119.914 -0.620 0.000 3.019 220 V HA 1.035 5.155 4.120 -0.000 0.000 0.317 220 V C -0.260 175.515 176.094 -0.533 0.000 1.094 220 V CA -0.447 61.392 62.300 -0.769 0.000 1.000 220 V CB 1.302 32.428 31.823 -1.161 0.000 1.060 220 V HN 1.116 nan 8.190 nan 0.000 0.443 221 T N -2.752 111.561 114.554 -0.401 0.000 2.821 221 T HA 0.660 5.010 4.350 -0.000 0.000 0.306 221 T C 0.559 175.128 174.700 -0.219 0.000 1.313 221 T CA -0.024 61.923 62.100 -0.254 0.000 1.012 221 T CB 0.947 69.719 68.868 -0.159 0.000 1.298 221 T HN 2.508 nan 8.240 nan 0.000 0.502 222 G N 0.208 108.897 108.800 -0.184 0.000 2.395 222 G HA2 0.217 4.177 3.960 -0.000 0.000 0.300 222 G HA3 0.217 4.177 3.960 -0.000 0.000 0.300 222 G C 0.250 174.986 174.900 -0.273 0.000 0.998 222 G CA 0.186 45.161 45.100 -0.208 0.000 1.046 222 G HN 1.516 nan 8.290 nan 0.000 0.513 223 A N -0.281 122.380 122.820 -0.264 0.000 2.337 223 A HA 0.830 5.150 4.320 -0.000 0.000 0.329 223 A C -0.483 177.016 177.584 -0.141 0.000 1.146 223 A CA -0.770 51.156 52.037 -0.185 0.000 0.800 223 A CB 1.139 20.033 19.000 -0.176 0.000 1.220 223 A HN 0.507 nan 8.150 nan 0.000 0.472 224 Y N 0.817 121.210 120.300 0.155 0.000 2.360 224 Y HA 0.513 5.063 4.550 -0.000 0.000 0.337 224 Y C 0.002 176.086 175.900 0.306 0.000 1.039 224 Y CA -0.630 57.596 58.100 0.211 0.000 1.109 224 Y CB 2.176 40.748 38.460 0.186 0.000 1.201 224 Y HN 0.385 nan 8.280 nan 0.000 0.458 225 V N 4.763 124.947 119.914 0.449 0.000 2.487 225 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 225 V C -1.099 175.114 176.094 0.198 0.000 1.028 225 V CA -0.917 61.531 62.300 0.246 0.000 0.860 225 V CB 0.918 32.888 31.823 0.244 0.000 0.991 225 V HN 0.712 nan 8.190 nan 0.000 0.427 226 Y N 2.048 122.279 120.300 -0.114 0.000 2.705 226 Y HA 0.753 5.303 4.550 -0.000 0.000 0.332 226 Y C -1.332 174.401 175.900 -0.279 0.000 1.221 226 Y CA -2.284 55.691 58.100 -0.208 0.000 1.059 226 Y CB 0.982 39.407 38.460 -0.059 0.000 1.298 226 Y HN 0.366 nan 8.280 nan 0.000 0.459 227 F N 1.260 121.275 119.950 0.108 0.000 2.420 227 F HA 0.572 5.099 4.527 -0.000 0.000 0.352 227 F C 0.771 176.633 175.800 0.103 0.000 1.108 227 F CA 0.167 58.178 58.000 0.019 0.000 1.162 227 F CB 1.585 40.616 39.000 0.052 0.000 1.118 227 F HN 0.732 nan 8.300 nan 0.000 0.510 228 T N 1.712 116.377 114.554 0.185 0.000 2.742 228 T HA 0.333 4.683 4.350 -0.000 0.000 0.282 228 T C -0.181 174.594 174.700 0.124 0.000 1.025 228 T CA -0.723 61.487 62.100 0.182 0.000 1.020 228 T CB 1.196 70.153 68.868 0.150 0.000 1.317 228 T HN 0.744 nan 8.240 nan 0.000 0.538 229 N N 0.488 119.254 118.700 0.110 0.000 2.301 229 N HA 0.153 4.893 4.740 -0.000 0.000 0.247 229 N C -0.579 174.980 175.510 0.081 0.000 1.347 229 N CA -0.482 52.615 53.050 0.079 0.000 0.844 229 N CB 0.597 39.121 38.487 0.062 0.000 1.332 229 N HN 0.491 nan 8.380 nan 0.000 0.494 230 S N -0.141 115.623 115.700 0.106 0.000 2.599 230 S HA 0.751 5.221 4.470 -0.000 0.000 0.287 230 S C -1.335 173.392 174.600 0.211 0.000 1.105 230 S CA -0.681 57.595 58.200 0.126 0.000 0.899 230 S CB 2.107 65.363 63.200 0.093 0.000 1.100 230 S HN 0.184 nan 8.310 nan 0.000 0.482 231 F N 2.290 122.259 119.950 0.033 0.000 2.745 231 F HA 0.585 5.112 4.527 -0.000 0.000 0.343 231 F C -0.602 175.292 175.800 0.157 0.000 1.196 231 F CA -1.764 56.267 58.000 0.052 0.000 1.021 231 F CB 0.285 39.330 39.000 0.075 0.000 1.297 231 F HN 0.819 nan 8.300 nan 0.000 0.486 232 F N 4.310 124.043 119.950 -0.361 0.000 3.074 232 F HA -0.140 4.387 4.527 -0.000 0.000 0.289 232 F C 1.391 177.081 175.800 -0.183 0.000 0.863 232 F CA 1.237 59.007 58.000 -0.383 0.000 1.121 232 F CB -0.921 37.694 39.000 -0.641 0.000 1.169 232 F HN 1.104 nan 8.300 nan 0.000 0.570 233 G N 0.040 108.851 108.800 0.018 0.000 2.143 233 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 233 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 233 G C 0.090 175.019 174.900 0.049 0.000 0.991 233 G CA 0.368 45.490 45.100 0.036 0.000 0.689 233 G HN 0.574 nan 8.290 nan 0.000 0.522 234 T N 1.706 116.304 114.554 0.073 0.000 2.779 234 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 234 T C 0.751 175.505 174.700 0.090 0.000 0.987 234 T CA -0.613 61.532 62.100 0.074 0.000 0.966 234 T CB 1.134 70.051 68.868 0.083 0.000 0.933 234 T HN 0.194 nan 8.240 nan 0.000 0.442 235 I N 4.259 124.863 120.570 0.056 0.000 2.741 235 I HA 0.067 4.237 4.170 -0.000 0.000 0.288 235 I C 0.582 176.721 176.117 0.036 0.000 1.192 235 I CA 0.123 61.451 61.300 0.046 0.000 1.426 235 I CB -0.304 37.711 38.000 0.026 0.000 1.367 235 I HN 0.568 nan 8.210 nan 0.000 0.563 236 I N 5.860 126.448 120.570 0.029 0.000 2.365 236 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 236 I C 0.595 176.690 176.117 -0.037 0.000 1.004 236 I CA -0.278 61.008 61.300 -0.022 0.000 1.311 236 I CB 1.390 39.365 38.000 -0.041 0.000 1.401 236 I HN 0.662 nan 8.210 nan 0.000 0.491 237 A N 4.087 126.869 122.820 -0.062 0.000 2.299 237 A HA 0.742 5.062 4.320 -0.000 0.000 0.332 237 A C 0.729 178.269 177.584 -0.073 0.000 1.131 237 A CA 0.019 52.025 52.037 -0.052 0.000 0.844 237 A CB 1.035 20.010 19.000 -0.042 0.000 1.251 237 A HN 1.108 nan 8.150 nan 0.000 0.486 238 G N -1.078 107.691 108.800 -0.052 0.000 2.182 238 G HA2 0.079 4.039 3.960 -0.000 0.000 0.248 238 G HA3 0.079 4.039 3.960 -0.000 0.000 0.248 238 G C -0.234 174.634 174.900 -0.054 0.000 1.042 238 G CA 0.230 45.297 45.100 -0.054 0.000 0.775 238 G HN 1.665 nan 8.290 nan 0.000 0.501 239 V N -0.174 119.719 119.914 -0.036 0.000 2.891 239 V HA 0.772 4.892 4.120 -0.000 0.000 0.304 239 V C 0.130 176.221 176.094 -0.006 0.000 1.171 239 V CA -0.258 62.030 62.300 -0.019 0.000 0.943 239 V CB 2.278 34.093 31.823 -0.014 0.000 1.037 239 V HN 0.990 nan 8.190 nan 0.000 0.427 240 T N 0.625 115.173 114.554 -0.009 0.000 2.823 240 T HA 0.763 5.113 4.350 -0.000 0.000 0.279 240 T C 0.568 175.247 174.700 -0.035 0.000 0.998 240 T CA 0.094 62.180 62.100 -0.022 0.000 0.994 240 T CB 2.114 70.958 68.868 -0.040 0.000 0.960 240 T HN 0.960 nan 8.240 nan 0.000 0.448 241 A N 2.142 124.961 122.820 -0.001 0.000 2.115 241 A HA 0.341 4.661 4.320 -0.000 0.000 0.211 241 A C 1.481 179.069 177.584 0.008 0.000 1.169 241 A CA 0.420 52.479 52.037 0.036 0.000 0.787 241 A CB -0.639 18.414 19.000 0.088 0.000 0.858 241 A HN 0.996 nan 8.150 nan 0.000 0.474 242 T N 0.504 115.051 114.554 -0.011 0.000 2.898 242 T HA 0.359 4.709 4.350 -0.000 0.000 0.331 242 T C -0.098 174.582 174.700 -0.034 0.000 1.085 242 T CA 0.808 62.900 62.100 -0.013 0.000 1.129 242 T CB 0.048 68.904 68.868 -0.018 0.000 1.054 242 T HN 1.552 nan 8.240 nan 0.000 0.540 243 A N 3.165 125.980 122.820 -0.008 0.000 2.590 243 A HA 0.590 4.910 4.320 -0.000 0.000 0.294 243 A C -0.253 177.337 177.584 0.011 0.000 1.046 243 A CA -0.836 51.198 52.037 -0.005 0.000 0.684 243 A CB 1.357 20.373 19.000 0.028 0.000 1.279 243 A HN 0.858 nan 8.150 nan 0.000 0.415 244 T N 1.276 115.835 114.554 0.010 0.000 2.895 244 T HA 0.555 4.905 4.350 -0.000 0.000 0.283 244 T C 1.601 176.313 174.700 0.020 0.000 1.014 244 T CA 0.317 62.425 62.100 0.012 0.000 1.037 244 T CB 1.641 70.513 68.868 0.007 0.000 1.006 244 T HN 1.565 nan 8.240 nan 0.000 0.468 245 A N 1.933 124.764 122.820 0.019 0.000 2.032 245 A HA -0.021 4.299 4.320 -0.000 0.000 0.221 245 A C 2.268 179.864 177.584 0.021 0.000 1.165 245 A CA 1.971 54.021 52.037 0.021 0.000 0.645 245 A CB -0.809 18.200 19.000 0.015 0.000 0.807 245 A HN 0.900 nan 8.150 nan 0.000 0.453 246 A N -0.493 122.337 122.820 0.017 0.000 2.169 246 A HA 0.187 4.507 4.320 -0.000 0.000 0.212 246 A C 0.338 177.933 177.584 0.018 0.000 1.153 246 A CA 0.267 52.314 52.037 0.016 0.000 0.756 246 A CB -0.364 18.643 19.000 0.011 0.000 0.813 246 A HN 0.439 nan 8.150 nan 0.000 0.471 247 D N 0.726 121.139 120.400 0.021 0.000 2.515 247 D HA 0.323 4.963 4.640 -0.000 0.000 0.232 247 D C 0.442 176.761 176.300 0.031 0.000 1.157 247 D CA 1.150 55.164 54.000 0.023 0.000 0.871 247 D CB 0.532 41.349 40.800 0.027 0.000 1.200 247 D HN 0.382 nan 8.370 nan 0.000 0.466 248 A N 1.609 124.446 122.820 0.029 0.000 2.409 248 A HA 0.548 4.868 4.320 -0.000 0.000 0.262 248 A C 0.375 177.987 177.584 0.048 0.000 1.113 248 A CA -0.380 51.677 52.037 0.032 0.000 0.790 248 A CB 0.249 19.265 19.000 0.027 0.000 1.046 248 A HN 0.652 nan 8.150 nan 0.000 0.496 249 A N 2.958 125.806 122.820 0.047 0.000 2.587 249 A HA 0.410 4.730 4.320 -0.000 0.000 0.235 249 A C 0.695 178.321 177.584 0.071 0.000 1.044 249 A CA 0.778 52.850 52.037 0.058 0.000 0.754 249 A CB -0.413 18.610 19.000 0.038 0.000 0.968 249 A HN 0.848 nan 8.150 nan 0.000 0.509 250 T N 2.365 116.980 114.554 0.103 0.000 2.771 250 T HA 0.637 4.987 4.350 -0.000 0.000 0.281 250 T C 0.416 175.170 174.700 0.089 0.000 0.982 250 T CA 0.287 62.458 62.100 0.119 0.000 0.978 250 T CB 1.129 70.135 68.868 0.230 0.000 0.930 250 T HN 1.078 nan 8.240 nan 0.000 0.447 251 T N 0.386 114.993 114.554 0.088 0.000 2.838 251 T HA 0.875 5.225 4.350 -0.000 0.000 0.292 251 T C -1.097 173.703 174.700 0.166 0.000 1.113 251 T CA -1.002 61.139 62.100 0.069 0.000 1.008 251 T CB 1.549 70.395 68.868 -0.037 0.000 1.259 251 T HN 0.548 nan 8.240 nan 0.000 0.520 252 F N -1.152 118.758 119.950 -0.067 0.000 2.662 252 F HA 0.846 5.373 4.527 -0.000 0.000 0.312 252 F C -0.599 175.130 175.800 -0.120 0.000 1.113 252 F CA -0.827 57.129 58.000 -0.074 0.000 0.951 252 F CB 1.471 40.416 39.000 -0.092 0.000 1.344 252 F HN 0.967 nan 8.300 nan 0.000 0.462 253 T N -0.458 114.118 114.554 0.037 0.000 2.916 253 T HA 0.861 5.211 4.350 -0.000 0.000 0.292 253 T C -1.505 173.205 174.700 0.017 0.000 1.064 253 T CA -0.808 61.236 62.100 -0.094 0.000 1.011 253 T CB 1.710 70.546 68.868 -0.054 0.000 1.152 253 T HN 0.792 nan 8.240 nan 0.000 0.510 254 V N 2.150 122.040 119.914 -0.040 0.000 2.962 254 V HA 0.411 4.531 4.120 -0.000 0.000 0.313 254 V C -1.773 174.320 176.094 -0.003 0.000 1.099 254 V CA -2.081 60.223 62.300 0.007 0.000 0.971 254 V CB 2.245 34.084 31.823 0.028 0.000 1.028 254 V HN 0.725 nan 8.190 nan 0.000 0.430 255 P HA -0.137 nan 4.420 nan 0.000 0.215 255 P C 1.625 178.923 177.300 -0.003 0.000 1.153 255 P CA 1.832 64.930 63.100 -0.002 0.000 0.853 255 P CB 0.063 31.760 31.700 -0.004 0.000 0.788 256 T N -4.770 109.789 114.554 0.007 0.000 3.051 256 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 256 T C 0.493 175.194 174.700 0.002 0.000 1.127 256 T CA 0.641 62.745 62.100 0.007 0.000 1.107 256 T CB -0.536 68.344 68.868 0.020 0.000 0.898 256 T HN -0.067 nan 8.240 nan 0.000 0.517 257 D N -0.247 120.149 120.400 -0.007 0.000 2.696 257 D HA 0.615 5.255 4.640 -0.000 0.000 0.251 257 D C 0.819 177.093 176.300 -0.044 0.000 1.188 257 D CA -0.214 53.772 54.000 -0.023 0.000 0.876 257 D CB 1.916 42.700 40.800 -0.026 0.000 1.334 257 D HN 0.089 nan 8.370 nan 0.000 0.540 258 A N 4.258 127.055 122.820 -0.038 0.000 1.933 258 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 258 A C 0.944 178.494 177.584 -0.057 0.000 1.175 258 A CA 0.835 52.847 52.037 -0.040 0.000 0.628 258 A CB -0.212 18.770 19.000 -0.030 0.000 0.814 258 A HN 0.632 nan 8.150 nan 0.000 0.444 259 N N 1.593 120.252 118.700 -0.069 0.000 2.518 259 N HA 0.100 4.840 4.740 -0.000 0.000 0.283 259 N C -1.003 174.422 175.510 -0.142 0.000 1.119 259 N CA -0.406 52.592 53.050 -0.086 0.000 0.983 259 N CB 0.440 38.883 38.487 -0.072 0.000 1.139 259 N HN 0.351 nan 8.380 nan 0.000 0.465 260 N N 1.500 120.112 118.700 -0.146 0.000 2.395 260 N HA 0.045 4.785 4.740 -0.000 0.000 0.246 260 N C -0.305 175.015 175.510 -0.316 0.000 1.246 260 N CA 0.390 53.309 53.050 -0.218 0.000 0.879 260 N CB 1.100 39.500 38.487 -0.146 0.000 1.098 260 N HN 0.329 nan 8.380 nan 0.000 0.444 261 L N 3.732 124.605 121.223 -0.583 0.000 2.276 261 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 261 L C -1.966 174.582 176.870 -0.538 0.000 1.024 261 L CA -1.856 52.541 54.840 -0.738 0.000 0.826 261 L CB 1.711 42.853 42.059 -1.529 0.000 1.211 261 L HN 0.246 nan 8.230 nan 0.000 0.422 262 P HA 0.103 nan 4.420 nan 0.000 0.271 262 P C -0.743 176.578 177.300 0.034 0.000 1.216 262 P CA -0.131 62.931 63.100 -0.063 0.000 0.776 262 P CB 1.834 33.518 31.700 -0.027 0.000 0.881 263 V N 3.998 123.941 119.914 0.048 0.000 2.628 263 V HA 0.244 4.364 4.120 -0.000 0.000 0.306 263 V C 0.714 176.808 176.094 -0.001 0.000 1.045 263 V CA -0.251 62.055 62.300 0.011 0.000 0.905 263 V CB 0.975 32.711 31.823 -0.145 0.000 0.997 263 V HN 0.675 nan 8.190 nan 0.000 0.436 264 Q N 1.387 121.199 119.800 0.020 0.000 2.506 264 Q HA -0.157 4.183 4.340 -0.000 0.000 0.268 264 Q C 0.112 176.159 176.000 0.079 0.000 1.002 264 Q CA 1.100 56.949 55.803 0.077 0.000 1.052 264 Q CB -1.431 27.375 28.738 0.114 0.000 1.383 264 Q HN 1.171 nan 8.270 nan 0.000 0.537 265 T N -4.144 110.468 114.554 0.097 0.000 2.912 265 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 265 T C 0.380 175.159 174.700 0.131 0.000 1.030 265 T CA -0.590 61.564 62.100 0.090 0.000 1.020 265 T CB 1.504 70.422 68.868 0.083 0.000 1.056 265 T HN 0.003 nan 8.240 nan 0.000 0.480 266 D N 1.318 121.779 120.400 0.103 0.000 2.338 266 D HA 0.093 4.733 4.640 -0.000 0.000 0.239 266 D C 0.128 176.592 176.300 0.273 0.000 1.095 266 D CA 0.291 54.383 54.000 0.154 0.000 0.888 266 D CB 0.097 40.937 40.800 0.068 0.000 0.899 266 D HN 0.465 nan 8.370 nan 0.000 0.525 267 S N 0.382 116.202 115.700 0.200 0.000 2.562 267 S HA 0.298 4.768 4.470 -0.000 0.000 0.275 267 S C 0.518 175.169 174.600 0.086 0.000 1.281 267 S CA -0.605 57.670 58.200 0.125 0.000 1.045 267 S CB 1.579 64.822 63.200 0.071 0.000 0.962 267 S HN 0.076 nan 8.310 nan 0.000 0.503 268 R N 2.437 122.913 120.500 -0.040 0.000 2.216 268 R HA 0.397 4.737 4.340 -0.000 0.000 0.332 268 R C -0.551 175.700 176.300 -0.081 0.000 1.056 268 R CA -0.203 55.780 56.100 -0.195 0.000 0.901 268 R CB 0.170 30.321 30.300 -0.247 0.000 1.039 268 R HN 0.494 nan 8.270 nan 0.000 0.456 269 L N 1.152 122.353 121.223 -0.037 0.000 2.365 269 L HA 0.588 4.928 4.340 -0.000 0.000 0.267 269 L C 0.068 176.928 176.870 -0.017 0.000 1.033 269 L CA -0.896 53.981 54.840 0.062 0.000 0.802 269 L CB 1.793 44.009 42.059 0.262 0.000 1.267 269 L HN 0.608 nan 8.230 nan 0.000 0.457 270 S N 0.778 116.498 115.700 0.033 0.000 2.649 270 S HA 0.759 5.229 4.470 -0.000 0.000 0.274 270 S C -0.888 173.731 174.600 0.031 0.000 1.176 270 S CA -0.790 57.334 58.200 -0.128 0.000 0.988 270 S CB 1.158 64.295 63.200 -0.106 0.000 1.071 270 S HN 0.561 nan 8.310 nan 0.000 0.478 271 F N -1.194 118.722 119.950 -0.057 0.000 2.789 271 F HA 0.914 5.441 4.527 -0.000 0.000 0.319 271 F C -0.678 175.098 175.800 -0.040 0.000 1.168 271 F CA -1.050 56.931 58.000 -0.033 0.000 0.934 271 F CB 1.126 40.134 39.000 0.013 0.000 1.375 271 F HN 0.553 nan 8.300 nan 0.000 0.480 272 S N 0.585 116.445 115.700 0.267 0.000 2.594 272 S HA 0.526 4.996 4.470 -0.000 0.000 0.296 272 S C -0.444 174.265 174.600 0.181 0.000 1.124 272 S CA -0.770 57.501 58.200 0.119 0.000 1.011 272 S CB 0.995 64.215 63.200 0.033 0.000 1.016 272 S HN 0.802 nan 8.310 nan 0.000 0.485 273 L N 4.795 126.099 121.223 0.136 0.000 2.801 273 L HA 0.228 4.568 4.340 -0.000 0.000 0.250 273 L C 1.994 178.865 176.870 0.002 0.000 1.222 273 L CA 0.193 55.085 54.840 0.087 0.000 1.054 273 L CB -1.004 41.093 42.059 0.063 0.000 1.330 273 L HN 0.908 nan 8.230 nan 0.000 0.426 274 G N 0.178 108.984 108.800 0.011 0.000 2.396 274 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 274 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 274 G C 1.529 176.413 174.900 -0.027 0.000 1.166 274 G CA 0.570 45.660 45.100 -0.018 0.000 0.793 274 G HN 0.490 nan 8.290 nan 0.000 0.533 275 G N 0.060 108.852 108.800 -0.014 0.000 2.586 275 G HA2 0.271 4.231 3.960 -0.000 0.000 0.215 275 G HA3 0.271 4.231 3.960 -0.000 0.000 0.215 275 G C 1.430 176.309 174.900 -0.034 0.000 1.128 275 G CA 0.784 45.872 45.100 -0.019 0.000 0.774 275 G HN 1.475 nan 8.290 nan 0.000 0.543 276 G N -0.905 107.862 108.800 -0.054 0.000 2.184 276 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 276 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 276 G C 0.077 174.931 174.900 -0.077 0.000 0.975 276 G CA 0.433 45.483 45.100 -0.083 0.000 0.642 276 G HN 0.731 nan 8.290 nan 0.000 0.536 277 N N -0.223 118.449 118.700 -0.047 0.000 2.571 277 N HA 0.457 5.197 4.740 -0.000 0.000 0.286 277 N C -0.301 175.207 175.510 -0.003 0.000 1.138 277 N CA -0.534 52.500 53.050 -0.027 0.000 0.859 277 N CB 0.856 39.337 38.487 -0.011 0.000 1.414 277 N HN 0.215 nan 8.380 nan 0.000 0.529 278 I N 1.775 122.333 120.570 -0.020 0.000 2.471 278 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 278 I C 0.266 176.439 176.117 0.093 0.000 1.079 278 I CA -0.240 61.037 61.300 -0.038 0.000 1.398 278 I CB 0.531 38.339 38.000 -0.319 0.000 1.403 278 I HN 0.467 nan 8.210 nan 0.000 0.530 279 N N 6.819 125.599 118.700 0.132 0.000 2.621 279 N HA 0.337 5.077 4.740 -0.000 0.000 0.237 279 N C -1.062 174.594 175.510 0.243 0.000 0.997 279 N CA -0.553 52.608 53.050 0.186 0.000 0.918 279 N CB 0.758 39.314 38.487 0.115 0.000 1.122 279 N HN 0.425 nan 8.380 nan 0.000 0.510 280 L N 1.988 123.411 121.223 0.333 0.000 2.375 280 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 280 L C -0.320 176.730 176.870 0.300 0.000 1.107 280 L CA 0.138 55.173 54.840 0.326 0.000 0.806 280 L CB 0.898 43.167 42.059 0.351 0.000 1.146 280 L HN 0.498 nan 8.230 nan 0.000 0.447 281 E N 5.257 125.587 120.200 0.216 0.000 2.402 281 E HA 0.240 4.590 4.350 -0.000 0.000 0.244 281 E C -1.131 175.546 176.600 0.127 0.000 0.945 281 E CA -0.403 56.103 56.400 0.176 0.000 0.774 281 E CB 1.254 31.024 29.700 0.117 0.000 1.296 281 E HN 0.566 nan 8.360 nan 0.000 0.414 282 L N 2.250 123.541 121.223 0.113 0.000 2.530 282 L HA 0.050 4.390 4.340 -0.000 0.000 0.273 282 L C 1.580 178.477 176.870 0.046 0.000 1.141 282 L CA 0.220 55.063 54.840 0.004 0.000 0.905 282 L CB 0.526 42.503 42.059 -0.137 0.000 1.202 282 L HN 0.727 nan 8.230 nan 0.000 0.473 283 G N 3.850 112.678 108.800 0.046 0.000 2.421 283 G HA2 0.005 3.965 3.960 -0.000 0.000 0.217 283 G HA3 0.005 3.965 3.960 -0.000 0.000 0.217 283 G C 0.421 175.335 174.900 0.023 0.000 1.143 283 G CA 0.227 45.353 45.100 0.043 0.000 0.784 283 G HN 0.377 nan 8.290 nan 0.000 0.541 284 V N 0.474 120.386 119.914 -0.004 0.000 2.623 284 V HA 0.660 4.780 4.120 -0.000 0.000 0.304 284 V C 0.278 176.343 176.094 -0.048 0.000 1.054 284 V CA -1.294 60.995 62.300 -0.018 0.000 0.882 284 V CB 1.354 33.162 31.823 -0.025 0.000 1.002 284 V HN 0.427 nan 8.190 nan 0.000 0.424 285 A N 5.164 127.975 122.820 -0.015 0.000 2.584 285 A HA 0.287 4.607 4.320 -0.000 0.000 0.239 285 A C 0.181 177.738 177.584 -0.044 0.000 1.043 285 A CA 0.758 52.789 52.037 -0.009 0.000 0.756 285 A CB -0.061 18.951 19.000 0.021 0.000 0.963 285 A HN 0.780 nan 8.150 nan 0.000 0.511 286 K N 1.306 121.676 120.400 -0.049 0.000 2.422 286 K HA 0.370 4.690 4.320 -0.000 0.000 0.251 286 K C -0.547 176.060 176.600 0.012 0.000 0.933 286 K CA -0.523 55.729 56.287 -0.059 0.000 0.798 286 K CB 1.995 34.402 32.500 -0.156 0.000 1.238 286 K HN 0.599 nan 8.250 nan 0.000 0.428 287 T N 1.664 116.217 114.554 -0.001 0.000 4.508 287 T HA 0.236 4.586 4.350 -0.000 0.000 0.232 287 T C 0.293 175.005 174.700 0.020 0.000 1.027 287 T CA -0.120 61.988 62.100 0.013 0.000 0.999 287 T CB -0.561 68.306 68.868 -0.001 0.000 1.402 287 T HN 0.884 nan 8.240 nan 0.000 1.003 288 G N 2.433 111.268 108.800 0.059 0.000 3.409 288 G HA2 0.034 3.994 3.960 -0.000 0.000 0.686 288 G HA3 0.034 3.994 3.960 -0.000 0.000 0.686 288 G C -0.662 174.274 174.900 0.060 0.000 1.017 288 G CA -0.917 44.198 45.100 0.024 0.000 0.854 288 G HN 0.658 nan 8.290 nan 0.000 0.508 289 F N 0.132 120.064 119.950 -0.031 0.000 2.593 289 F HA 0.869 5.396 4.527 -0.000 0.000 0.320 289 F C -0.018 175.819 175.800 0.063 0.000 1.060 289 F CA -1.648 56.328 58.000 -0.040 0.000 0.940 289 F CB 1.829 40.757 39.000 -0.120 0.000 1.268 289 F HN 0.854 nan 8.300 nan 0.000 0.475 290 C N 3.743 123.162 119.300 0.198 0.000 2.522 290 C HA 0.767 5.227 4.460 -0.000 0.000 0.344 290 C C -0.908 174.049 174.990 -0.055 0.000 1.104 290 C CA -0.435 58.591 59.018 0.013 0.000 1.317 290 C CB 0.201 27.997 27.740 0.093 0.000 1.896 290 C HN 0.836 nan 8.230 nan 0.000 0.443 291 V N 5.453 125.065 119.914 -0.503 0.000 2.607 291 V HA 0.729 4.849 4.120 -0.000 0.000 0.289 291 V C 0.742 176.339 176.094 -0.828 0.000 1.053 291 V CA 0.114 61.920 62.300 -0.822 0.000 0.996 291 V CB 1.459 32.432 31.823 -1.417 0.000 0.995 291 V HN 1.087 nan 8.190 nan 0.000 0.476 292 A N 5.951 128.353 122.820 -0.695 0.000 2.343 292 A HA 0.830 5.150 4.320 -0.000 0.000 0.316 292 A C -0.782 176.568 177.584 -0.391 0.000 1.104 292 A CA -0.536 51.150 52.037 -0.585 0.000 0.768 292 A CB 0.824 19.322 19.000 -0.836 0.000 1.213 292 A HN 0.750 nan 8.150 nan 0.000 0.456 293 I N 2.097 122.617 120.570 -0.083 0.000 2.354 293 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 293 I C -0.026 176.240 176.117 0.247 0.000 1.007 293 I CA -0.019 61.367 61.300 0.143 0.000 1.167 293 I CB 1.450 39.621 38.000 0.284 0.000 1.320 293 I HN 0.787 nan 8.210 nan 0.000 0.458 294 E N 5.753 126.113 120.200 0.267 0.000 2.182 294 E HA 0.662 5.012 4.350 -0.000 0.000 0.258 294 E C -0.550 176.208 176.600 0.263 0.000 0.879 294 E CA -0.370 56.233 56.400 0.338 0.000 0.754 294 E CB 1.586 31.520 29.700 0.389 0.000 1.162 294 E HN 0.827 nan 8.360 nan 0.000 0.419 295 G N 3.249 112.203 108.800 0.257 0.000 2.694 295 G HA2 0.154 4.114 3.960 -0.000 0.000 0.246 295 G HA3 0.154 4.114 3.960 -0.000 0.000 0.246 295 G C -1.298 173.676 174.900 0.123 0.000 1.205 295 G CA -0.655 44.476 45.100 0.051 0.000 0.891 295 G HN 0.401 nan 8.290 nan 0.000 0.515 296 E N -0.181 119.999 120.200 -0.033 0.000 2.109 296 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 296 E C -1.278 175.310 176.600 -0.020 0.000 0.954 296 E CA -0.451 55.988 56.400 0.065 0.000 0.779 296 E CB 0.653 30.361 29.700 0.013 0.000 1.093 296 E HN 0.163 nan 8.360 nan 0.000 0.401 297 F N 2.023 121.966 119.950 -0.012 0.000 2.379 297 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 297 F C 0.831 176.634 175.800 0.005 0.000 1.096 297 F CA -0.383 57.609 58.000 -0.012 0.000 1.105 297 F CB 1.931 40.940 39.000 0.015 0.000 1.189 297 F HN 0.291 nan 8.300 nan 0.000 0.515 298 T N 2.595 117.231 114.554 0.137 0.000 2.894 298 T HA 0.645 4.995 4.350 -0.000 0.000 0.309 298 T C -1.002 173.751 174.700 0.088 0.000 1.208 298 T CA -0.736 61.426 62.100 0.103 0.000 1.016 298 T CB 0.888 69.791 68.868 0.057 0.000 1.192 298 T HN 0.400 nan 8.240 nan 0.000 0.491 299 I N 4.060 124.686 120.570 0.095 0.000 2.325 299 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 299 I C 0.713 176.864 176.117 0.056 0.000 1.019 299 I CA -0.884 60.462 61.300 0.077 0.000 1.302 299 I CB 1.031 39.087 38.000 0.093 0.000 1.401 299 I HN 0.604 nan 8.210 nan 0.000 0.485 300 L N 5.111 126.341 121.223 0.013 0.000 2.535 300 L HA -0.062 4.278 4.340 -0.000 0.000 0.301 300 L C 1.080 177.899 176.870 -0.084 0.000 1.275 300 L CA -0.043 54.770 54.840 -0.045 0.000 0.843 300 L CB 0.125 42.155 42.059 -0.048 0.000 1.094 300 L HN 0.718 nan 8.230 nan 0.000 0.532 301 A N 2.797 125.464 122.820 -0.254 0.000 2.540 301 A HA 0.035 4.355 4.320 -0.000 0.000 0.239 301 A C 0.738 178.221 177.584 -0.168 0.000 1.061 301 A CA -0.165 51.592 52.037 -0.467 0.000 0.758 301 A CB -0.240 18.235 19.000 -0.875 0.000 0.991 301 A HN 0.943 nan 8.150 nan 0.000 0.502 302 N N 1.079 119.768 118.700 -0.019 0.000 2.714 302 N HA -0.166 4.574 4.740 -0.000 0.000 0.252 302 N C 0.207 175.737 175.510 0.034 0.000 1.014 302 N CA 1.194 54.271 53.050 0.044 0.000 0.735 302 N CB -0.472 38.029 38.487 0.023 0.000 0.924 302 N HN 0.770 nan 8.380 nan 0.000 0.540 303 R N -1.482 119.051 120.500 0.055 0.000 2.526 303 R HA 0.095 4.435 4.340 -0.000 0.000 0.346 303 R C 1.615 177.977 176.300 0.103 0.000 0.926 303 R CA 0.660 56.794 56.100 0.057 0.000 1.147 303 R CB -0.088 30.227 30.300 0.025 0.000 1.629 303 R HN 0.352 nan 8.270 nan 0.000 0.516 304 S N 0.662 116.451 115.700 0.148 0.000 2.419 304 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 304 S C 1.639 176.394 174.600 0.258 0.000 1.016 304 S CA 0.887 59.227 58.200 0.233 0.000 0.974 304 S CB 0.054 63.447 63.200 0.321 0.000 0.786 304 S HN 0.070 nan 8.310 nan 0.000 0.492 305 Q N 2.233 122.141 119.800 0.181 0.000 2.133 305 Q HA -0.034 4.306 4.340 -0.000 0.000 0.208 305 Q C 2.514 178.598 176.000 0.139 0.000 0.991 305 Q CA 1.924 57.812 55.803 0.143 0.000 0.867 305 Q CB -1.251 27.538 28.738 0.085 0.000 0.911 305 Q HN 0.748 nan 8.270 nan 0.000 0.417 306 A N -0.187 122.712 122.820 0.132 0.000 1.884 306 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 306 A C 2.017 179.708 177.584 0.178 0.000 1.197 306 A CA 1.961 54.075 52.037 0.128 0.000 0.637 306 A CB -1.129 17.938 19.000 0.111 0.000 0.827 306 A HN 0.535 nan 8.150 nan 0.000 0.450 307 Y N -1.029 119.295 120.300 0.040 0.000 2.092 307 Y HA -0.215 4.335 4.550 -0.000 0.000 0.282 307 Y C 2.170 178.106 175.900 0.059 0.000 1.126 307 Y CA 1.715 59.821 58.100 0.010 0.000 1.111 307 Y CB -0.938 37.448 38.460 -0.124 0.000 0.987 307 Y HN 0.376 nan 8.280 nan 0.000 0.489 308 Y N -0.658 119.558 120.300 -0.139 0.000 2.574 308 Y HA -0.132 4.418 4.550 -0.000 0.000 0.294 308 Y C 2.301 177.999 175.900 -0.338 0.000 1.142 308 Y CA 1.274 59.047 58.100 -0.545 0.000 1.314 308 Y CB -0.160 38.002 38.460 -0.496 0.000 0.991 308 Y HN 0.137 nan 8.280 nan 0.000 0.555 309 T N -0.502 114.065 114.554 0.022 0.000 3.037 309 T HA 0.141 4.491 4.350 -0.000 0.000 0.251 309 T C 0.650 175.387 174.700 0.063 0.000 1.079 309 T CA 0.190 62.313 62.100 0.037 0.000 1.067 309 T CB 0.039 68.941 68.868 0.056 0.000 0.948 309 T HN 0.249 nan 8.240 nan 0.000 0.496 310 L N 1.324 122.600 121.223 0.089 0.000 3.783 310 L HA -0.173 4.167 4.340 -0.000 0.000 0.409 310 L C 0.698 177.612 176.870 0.072 0.000 1.223 310 L CA -0.136 54.762 54.840 0.096 0.000 0.888 310 L CB -1.756 40.359 42.059 0.093 0.000 2.018 310 L HN 0.212 nan 8.230 nan 0.000 0.780 311 N N -1.035 117.712 118.700 0.078 0.000 2.299 311 N HA 0.083 4.823 4.740 -0.000 0.000 0.187 311 N C 1.486 177.035 175.510 0.064 0.000 1.099 311 N CA 0.894 53.982 53.050 0.063 0.000 0.867 311 N CB 0.405 38.929 38.487 0.061 0.000 0.974 311 N HN 0.260 nan 8.380 nan 0.000 0.477 312 S N -0.069 115.684 115.700 0.088 0.000 2.423 312 S HA 0.126 4.596 4.470 -0.000 0.000 0.231 312 S C 0.595 175.224 174.600 0.049 0.000 1.014 312 S CA 0.345 58.601 58.200 0.093 0.000 0.965 312 S CB -0.096 63.195 63.200 0.151 0.000 0.785 312 S HN 0.268 nan 8.310 nan 0.000 0.495 313 I N 2.107 122.699 120.570 0.036 0.000 2.471 313 I HA 0.077 4.247 4.170 -0.000 0.000 0.286 313 I C 1.217 177.339 176.117 0.009 0.000 1.079 313 I CA 0.088 61.393 61.300 0.009 0.000 1.398 313 I CB 1.272 39.278 38.000 0.009 0.000 1.403 313 I HN 0.242 nan 8.210 nan 0.000 0.530 314 T N 1.006 115.560 114.554 -0.001 0.000 3.105 314 T HA 0.134 4.484 4.350 -0.000 0.000 0.257 314 T C 0.587 175.287 174.700 0.000 0.000 0.949 314 T CA -0.275 61.827 62.100 0.003 0.000 0.959 314 T CB 0.231 69.101 68.868 0.004 0.000 1.205 314 T HN 0.401 nan 8.240 nan 0.000 0.496 315 Q N 1.230 121.027 119.800 -0.006 0.000 2.185 315 Q HA 0.698 5.038 4.340 -0.000 0.000 0.225 315 Q C -1.164 174.833 176.000 -0.005 0.000 0.983 315 Q CA 0.002 55.804 55.803 -0.002 0.000 0.950 315 Q CB 1.429 30.169 28.738 0.002 0.000 1.176 315 Q HN 0.308 nan 8.270 nan 0.000 0.510 316 T N 2.035 116.588 114.554 -0.002 0.000 3.109 316 T HA 0.420 4.770 4.350 -0.000 0.000 0.311 316 T C -2.383 172.315 174.700 -0.003 0.000 1.011 316 T CA -1.044 61.053 62.100 -0.006 0.000 1.026 316 T CB 1.164 70.028 68.868 -0.008 0.000 1.047 316 T HN 0.593 nan 8.240 nan 0.000 0.448 317 P HA 0.588 nan 4.420 nan 0.000 0.277 317 P C -0.603 176.695 177.300 -0.004 0.000 1.276 317 P CA -0.250 62.845 63.100 -0.008 0.000 0.788 317 P CB 0.930 32.625 31.700 -0.009 0.000 1.114 318 T N -1.643 112.906 114.554 -0.008 0.000 2.864 318 T HA 0.391 4.741 4.350 -0.000 0.000 0.299 318 T C -0.760 173.939 174.700 -0.002 0.000 1.166 318 T CA -0.480 61.613 62.100 -0.012 0.000 1.007 318 T CB 0.870 69.718 68.868 -0.034 0.000 1.219 318 T HN 0.337 nan 8.240 nan 0.000 0.506 319 S N 2.030 117.738 115.700 0.015 0.000 2.537 319 S HA 0.710 5.180 4.470 -0.000 0.000 0.275 319 S C -0.536 174.070 174.600 0.009 0.000 1.272 319 S CA -0.606 57.628 58.200 0.058 0.000 1.050 319 S CB 0.313 63.644 63.200 0.219 0.000 0.961 319 S HN 0.626 nan 8.310 nan 0.000 0.496 320 I N 2.571 123.142 120.570 0.003 0.000 2.752 320 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 320 I C -0.658 175.441 176.117 -0.031 0.000 1.219 320 I CA -0.745 60.535 61.300 -0.034 0.000 1.030 320 I CB 1.754 39.718 38.000 -0.059 0.000 1.259 320 I HN 0.735 nan 8.210 nan 0.000 0.423 321 D N 4.612 124.970 120.400 -0.071 0.000 2.360 321 D HA 0.107 4.747 4.640 -0.000 0.000 0.289 321 D C -0.323 175.947 176.300 -0.051 0.000 1.183 321 D CA 0.238 54.215 54.000 -0.039 0.000 1.082 321 D CB 0.423 41.223 40.800 0.000 0.000 1.146 321 D HN 0.633 nan 8.370 nan 0.000 0.545 322 D N -2.484 117.920 120.400 0.007 0.000 2.651 322 D HA 0.046 4.686 4.640 -0.000 0.000 0.280 322 D C -0.041 176.498 176.300 0.399 0.000 1.496 322 D CA -0.663 53.488 54.000 0.252 0.000 0.792 322 D CB -1.361 39.687 40.800 0.414 0.000 1.144 322 D HN 0.461 nan 8.370 nan 0.000 0.470 323 F N 1.758 121.912 119.950 0.340 0.000 3.097 323 F HA -0.312 4.215 4.527 -0.000 0.000 0.278 323 F C 0.182 176.296 175.800 0.523 0.000 0.917 323 F CA 0.877 59.074 58.000 0.328 0.000 0.962 323 F CB -1.700 37.272 39.000 -0.047 0.000 0.964 323 F HN 0.057 nan 8.300 nan 0.000 0.668 324 D N -2.656 118.076 120.400 0.552 0.000 2.978 324 D HA -0.238 4.402 4.640 -0.000 0.000 0.205 324 D C 1.402 178.024 176.300 0.535 0.000 1.093 324 D CA 1.165 55.470 54.000 0.508 0.000 1.006 324 D CB -1.541 39.595 40.800 0.561 0.000 1.116 324 D HN 0.452 nan 8.370 nan 0.000 0.419 325 V N -0.204 119.976 119.914 0.442 0.000 2.278 325 V HA -0.359 3.761 4.120 -0.000 0.000 0.251 325 V C 2.685 178.933 176.094 0.257 0.000 1.062 325 V CA 2.839 65.250 62.300 0.185 0.000 1.038 325 V CB -1.463 30.210 31.823 -0.250 0.000 0.646 325 V HN 0.402 nan 8.190 nan 0.000 0.447 326 S N 0.574 116.406 115.700 0.221 0.000 2.413 326 S HA -0.349 4.121 4.470 -0.000 0.000 0.237 326 S C 1.578 176.264 174.600 0.143 0.000 1.044 326 S CA 2.064 60.367 58.200 0.171 0.000 1.024 326 S CB -0.978 62.321 63.200 0.166 0.000 0.829 326 S HN 0.702 nan 8.310 nan 0.000 0.475 327 D N 0.149 120.658 120.400 0.182 0.000 2.317 327 D HA 0.132 4.772 4.640 -0.000 0.000 0.211 327 D C 1.010 177.243 176.300 -0.111 0.000 0.966 327 D CA 0.679 54.689 54.000 0.018 0.000 0.876 327 D CB -0.163 40.607 40.800 -0.049 0.000 0.927 327 D HN 0.539 nan 8.370 nan 0.000 0.519 328 F N -0.100 119.878 119.950 0.047 0.000 2.559 328 F HA 0.076 4.603 4.527 -0.000 0.000 0.286 328 F C 2.043 177.862 175.800 0.030 0.000 1.108 328 F CA -0.190 57.831 58.000 0.034 0.000 1.436 328 F CB -0.085 38.933 39.000 0.030 0.000 1.130 328 F HN -0.150 nan 8.300 nan 0.000 0.584 329 L N 0.320 121.675 121.223 0.219 0.000 2.187 329 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 329 L C 2.165 179.092 176.870 0.095 0.000 1.100 329 L CA 1.630 56.571 54.840 0.168 0.000 0.765 329 L CB -2.059 40.053 42.059 0.088 0.000 0.904 329 L HN 0.209 nan 8.230 nan 0.000 0.437 330 T N -0.058 114.509 114.554 0.022 0.000 2.567 330 T HA -0.334 4.016 4.350 -0.000 0.000 0.261 330 T C 1.872 176.555 174.700 -0.028 0.000 1.123 330 T CA 2.928 65.004 62.100 -0.040 0.000 1.166 330 T CB -0.763 68.075 68.868 -0.051 0.000 0.860 330 T HN 0.610 nan 8.240 nan 0.000 0.436 331 T N 0.660 115.221 114.554 0.012 0.000 2.684 331 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 331 T C 1.725 176.456 174.700 0.051 0.000 1.036 331 T CA 1.466 63.574 62.100 0.012 0.000 1.148 331 T CB -0.910 67.961 68.868 0.006 0.000 0.863 331 T HN 0.281 nan 8.240 nan 0.000 0.436 332 F N 2.173 122.102 119.950 -0.035 0.000 2.069 332 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 332 F C 1.977 177.765 175.800 -0.021 0.000 1.113 332 F CA 0.692 58.680 58.000 -0.020 0.000 1.214 332 F CB -0.919 38.093 39.000 0.021 0.000 0.978 332 F HN 0.065 nan 8.300 nan 0.000 0.474 333 L N 0.008 121.142 121.223 -0.148 0.000 1.990 333 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 333 L C 2.755 179.455 176.870 -0.283 0.000 1.072 333 L CA 2.158 56.823 54.840 -0.292 0.000 0.755 333 L CB -1.424 40.442 42.059 -0.322 0.000 0.889 333 L HN 0.131 nan 8.230 nan 0.000 0.432 334 S N -1.250 114.333 115.700 -0.196 0.000 2.372 334 S HA -0.264 4.206 4.470 -0.000 0.000 0.227 334 S C 1.915 176.432 174.600 -0.138 0.000 1.044 334 S CA 1.320 59.427 58.200 -0.155 0.000 1.050 334 S CB -0.236 62.905 63.200 -0.100 0.000 0.901 334 S HN 0.463 nan 8.310 nan 0.000 0.447 335 Q N 0.443 120.167 119.800 -0.127 0.000 2.170 335 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 335 Q C 2.263 178.199 176.000 -0.106 0.000 0.976 335 Q CA 0.895 56.650 55.803 -0.079 0.000 0.858 335 Q CB -0.509 28.234 28.738 0.009 0.000 0.907 335 Q HN 0.526 nan 8.270 nan 0.000 0.433 336 L N 0.161 121.229 121.223 -0.259 0.000 2.017 336 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 336 L C 2.576 179.426 176.870 -0.034 0.000 1.073 336 L CA 1.120 55.853 54.840 -0.177 0.000 0.745 336 L CB -0.377 41.486 42.059 -0.326 0.000 0.894 336 L HN 0.153 nan 8.230 nan 0.000 0.432 337 R N 0.049 120.497 120.500 -0.086 0.000 2.120 337 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 337 R C 2.234 178.508 176.300 -0.043 0.000 1.123 337 R CA 1.335 57.393 56.100 -0.070 0.000 0.975 337 R CB -0.585 29.606 30.300 -0.181 0.000 0.866 337 R HN 0.359 nan 8.270 nan 0.000 0.446 338 A N 0.870 123.656 122.820 -0.057 0.000 2.070 338 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 338 A C 2.027 179.591 177.584 -0.034 0.000 1.159 338 A CA 1.429 53.439 52.037 -0.044 0.000 0.656 338 A CB -0.343 18.630 19.000 -0.046 0.000 0.800 338 A HN 0.622 nan 8.150 nan 0.000 0.453 339 C N -3.407 115.875 119.300 -0.030 0.000 3.098 339 C HA 0.601 5.061 4.460 -0.000 0.000 0.265 339 C C 1.156 176.150 174.990 0.006 0.000 1.572 339 C CA -0.589 58.408 59.018 -0.036 0.000 1.788 339 C CB -0.966 26.709 27.740 -0.108 0.000 2.982 339 C HN 1.656 nan 8.230 nan 0.000 0.532 340 G N 2.034 110.856 108.800 0.037 0.000 2.342 340 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.267 340 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.267 340 G C 0.218 175.181 174.900 0.105 0.000 0.922 340 G CA 0.742 45.887 45.100 0.074 0.000 1.342 340 G HN 0.675 nan 8.290 nan 0.000 0.430 341 Q N -0.315 119.577 119.800 0.153 0.000 1.921 341 Q HA 0.026 4.366 4.340 -0.000 0.000 0.192 341 Q C 1.459 177.587 176.000 0.214 0.000 0.755 341 Q CA 0.090 56.004 55.803 0.186 0.000 0.904 341 Q CB -0.214 28.684 28.738 0.267 0.000 1.222 341 Q HN 0.734 nan 8.270 nan 0.000 0.417 342 Y N 2.693 123.047 120.300 0.090 0.000 2.193 342 Y HA -0.260 4.290 4.550 -0.000 0.000 0.285 342 Y C 1.520 177.548 175.900 0.213 0.000 1.166 342 Y CA 2.357 60.536 58.100 0.132 0.000 1.181 342 Y CB 0.402 38.911 38.460 0.082 0.000 0.976 342 Y HN 0.037 nan 8.280 nan 0.000 0.520 343 E N 0.403 120.618 120.200 0.026 0.000 2.005 343 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 343 E C 2.348 178.931 176.600 -0.027 0.000 0.987 343 E CA 1.728 58.091 56.400 -0.062 0.000 0.814 343 E CB -0.660 29.058 29.700 0.030 0.000 0.772 343 E HN 0.491 nan 8.360 nan 0.000 0.453 344 I N 0.356 120.947 120.570 0.035 0.000 2.236 344 I HA -0.313 3.857 4.170 -0.000 0.000 0.249 344 I C 2.160 178.279 176.117 0.003 0.000 1.102 344 I CA 1.199 62.514 61.300 0.025 0.000 1.365 344 I CB -0.237 37.801 38.000 0.062 0.000 1.051 344 I HN 0.066 nan 8.210 nan 0.000 0.420 345 F N 0.946 120.833 119.950 -0.103 0.000 2.084 345 F HA -0.237 4.290 4.527 -0.000 0.000 0.296 345 F C 2.899 178.534 175.800 -0.276 0.000 1.111 345 F CA 1.876 59.763 58.000 -0.188 0.000 1.224 345 F CB -0.453 38.460 39.000 -0.145 0.000 0.991 345 F HN -0.079 nan 8.300 nan 0.000 0.471 346 S N -0.362 115.326 115.700 -0.021 0.000 2.440 346 S HA -0.215 4.255 4.470 -0.000 0.000 0.240 346 S C 1.742 176.264 174.600 -0.130 0.000 1.014 346 S CA 1.817 60.005 58.200 -0.021 0.000 0.980 346 S CB -0.589 62.624 63.200 0.021 0.000 0.775 346 S HN 0.456 nan 8.310 nan 0.000 0.499 347 D N 0.479 120.782 120.400 -0.161 0.000 2.216 347 D HA 0.196 4.836 4.640 -0.000 0.000 0.208 347 D C 2.167 178.334 176.300 -0.223 0.000 0.960 347 D CA 1.053 54.965 54.000 -0.146 0.000 0.861 347 D CB -0.369 40.369 40.800 -0.102 0.000 0.985 347 D HN 0.471 nan 8.370 nan 0.000 0.493 348 A N 0.522 123.144 122.820 -0.331 0.000 1.968 348 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 348 A C 2.067 179.345 177.584 -0.510 0.000 1.169 348 A CA 0.998 52.790 52.037 -0.408 0.000 0.638 348 A CB -0.297 18.413 19.000 -0.484 0.000 0.812 348 A HN 0.091 nan 8.150 nan 0.000 0.446 349 M N 0.116 119.316 119.600 -0.667 0.000 2.175 349 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 349 M C 1.208 177.310 176.300 -0.331 0.000 1.063 349 M CA 1.721 56.636 55.300 -0.643 0.000 1.119 349 M CB -0.584 31.491 32.600 -0.875 0.000 1.377 349 M HN 0.372 nan 8.290 nan 0.000 0.415 350 D N -0.833 119.425 120.400 -0.237 0.000 2.117 350 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 350 D C 1.951 178.180 176.300 -0.119 0.000 0.987 350 D CA 1.185 55.104 54.000 -0.136 0.000 0.829 350 D CB -0.171 40.584 40.800 -0.075 0.000 0.961 350 D HN 0.381 nan 8.370 nan 0.000 0.460 351 Q N -0.009 119.694 119.800 -0.161 0.000 2.020 351 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 351 Q C 1.961 177.861 176.000 -0.167 0.000 0.982 351 Q CA 0.888 56.602 55.803 -0.148 0.000 0.838 351 Q CB -0.461 28.170 28.738 -0.178 0.000 0.899 351 Q HN 0.219 nan 8.270 nan 0.000 0.423 352 L N 0.216 121.296 121.223 -0.239 0.000 1.971 352 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 352 L C 1.921 178.681 176.870 -0.183 0.000 1.072 352 L CA 2.710 57.397 54.840 -0.256 0.000 0.758 352 L CB -1.600 40.254 42.059 -0.340 0.000 0.889 352 L HN 0.349 nan 8.230 nan 0.000 0.433 353 T N 0.508 114.969 114.554 -0.155 0.000 2.665 353 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 353 T C 1.751 176.440 174.700 -0.017 0.000 1.035 353 T CA 2.069 64.116 62.100 -0.088 0.000 1.151 353 T CB -0.433 68.365 68.868 -0.117 0.000 0.862 353 T HN 0.497 nan 8.240 nan 0.000 0.438 354 N N 0.351 119.054 118.700 0.005 0.000 2.104 354 N HA -0.095 4.645 4.740 -0.000 0.000 0.190 354 N C 2.164 177.666 175.510 -0.013 0.000 1.024 354 N CA 1.260 54.328 53.050 0.030 0.000 0.853 354 N CB -0.092 38.408 38.487 0.022 0.000 1.008 354 N HN 0.233 nan 8.380 nan 0.000 0.424 355 S N 1.260 116.926 115.700 -0.056 0.000 2.356 355 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 355 S C 1.826 176.396 174.600 -0.051 0.000 1.032 355 S CA 0.528 58.689 58.200 -0.066 0.000 1.005 355 S CB -0.353 62.782 63.200 -0.108 0.000 0.867 355 S HN 0.273 nan 8.310 nan 0.000 0.449 356 L N 2.596 123.771 121.223 -0.079 0.000 1.956 356 L HA -0.149 4.191 4.340 -0.000 0.000 0.216 356 L C 2.089 178.991 176.870 0.053 0.000 1.073 356 L CA 1.986 56.782 54.840 -0.073 0.000 0.762 356 L CB -1.280 40.680 42.059 -0.165 0.000 0.889 356 L HN 0.241 nan 8.230 nan 0.000 0.433 357 I N 0.068 120.654 120.570 0.027 0.000 2.121 357 I HA -0.399 3.771 4.170 -0.000 0.000 0.243 357 I C 2.562 178.738 176.117 0.099 0.000 1.047 357 I CA 2.093 63.426 61.300 0.055 0.000 1.308 357 I CB -1.812 36.212 38.000 0.039 0.000 1.015 357 I HN 0.341 nan 8.210 nan 0.000 0.410 358 T N 2.061 116.647 114.554 0.053 0.000 2.570 358 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 358 T C 1.493 176.223 174.700 0.050 0.000 1.071 358 T CA 1.917 64.040 62.100 0.037 0.000 1.172 358 T CB -0.476 68.394 68.868 0.003 0.000 0.864 358 T HN 0.346 nan 8.240 nan 0.000 0.421 359 N N 0.396 119.116 118.700 0.034 0.000 2.651 359 N HA -0.080 4.660 4.740 -0.000 0.000 0.193 359 N C 0.878 176.325 175.510 -0.105 0.000 1.149 359 N CA 0.750 53.782 53.050 -0.030 0.000 0.933 359 N CB -0.318 38.133 38.487 -0.060 0.000 0.974 359 N HN 0.551 nan 8.380 nan 0.000 0.448 360 Y N -0.187 120.114 120.300 0.001 0.000 2.497 360 Y HA 0.294 4.844 4.550 -0.000 0.000 0.265 360 Y C 0.675 176.582 175.900 0.012 0.000 1.111 360 Y CA 0.100 58.209 58.100 0.015 0.000 1.288 360 Y CB 0.459 38.923 38.460 0.007 0.000 1.082 360 Y HN -0.076 nan 8.280 nan 0.000 0.536 361 M N 0.004 119.667 119.600 0.106 0.000 2.321 361 M HA 0.263 4.743 4.480 -0.000 0.000 0.315 361 M C -1.500 174.816 176.300 0.027 0.000 1.052 361 M CA -0.604 54.734 55.300 0.062 0.000 0.936 361 M CB 1.842 34.474 32.600 0.053 0.000 1.639 361 M HN -0.187 nan 8.290 nan 0.000 0.433 362 D N 4.961 125.372 120.400 0.020 0.000 2.256 362 D HA 0.470 5.110 4.640 -0.000 0.000 0.240 362 D C -2.187 174.118 176.300 0.008 0.000 1.062 362 D CA -1.008 52.997 54.000 0.009 0.000 0.832 362 D CB 1.667 42.471 40.800 0.006 0.000 1.135 362 D HN 0.465 nan 8.370 nan 0.000 0.484 363 P HA 0.345 nan 4.420 nan 0.000 0.279 363 P C -2.629 174.671 177.300 0.000 0.000 1.239 363 P CA -1.406 61.694 63.100 0.001 0.000 0.789 363 P CB 0.171 31.870 31.700 -0.002 0.000 0.933 364 P HA 0.137 nan 4.420 nan 0.000 0.197 364 P C -0.803 176.493 177.300 -0.006 0.000 1.121 364 P CA 1.068 64.165 63.100 -0.004 0.000 1.318 364 P CB -0.755 30.940 31.700 -0.008 0.000 1.634 365 A N 2.922 125.740 122.820 -0.004 0.000 2.540 365 A HA 0.424 4.744 4.320 -0.000 0.000 0.297 365 A C -0.328 177.250 177.584 -0.011 0.000 1.056 365 A CA -0.760 51.271 52.037 -0.010 0.000 0.700 365 A CB 0.831 19.823 19.000 -0.012 0.000 1.280 365 A HN 0.196 nan 8.150 nan 0.000 0.398 366 I N 3.883 124.442 120.570 -0.017 0.000 2.906 366 I HA 0.056 4.226 4.170 -0.000 0.000 0.301 366 I C -1.302 174.795 176.117 -0.033 0.000 1.221 366 I CA -0.366 60.919 61.300 -0.024 0.000 1.435 366 I CB 0.154 38.134 38.000 -0.032 0.000 1.345 366 I HN 0.506 nan 8.210 nan 0.000 0.558 367 P HA 0.106 nan 4.420 nan 0.000 0.271 367 P C -0.681 176.584 177.300 -0.058 0.000 1.233 367 P CA -0.462 62.612 63.100 -0.042 0.000 0.789 367 P CB 0.677 32.350 31.700 -0.045 0.000 0.951 368 A N 0.462 123.251 122.820 -0.052 0.000 2.354 368 A HA 0.545 4.865 4.320 -0.000 0.000 0.269 368 A C 1.278 178.819 177.584 -0.072 0.000 1.109 368 A CA 0.331 52.334 52.037 -0.057 0.000 0.800 368 A CB -0.545 18.429 19.000 -0.043 0.000 1.045 368 A HN 0.878 nan 8.150 nan 0.000 0.489 369 G N 0.488 109.239 108.800 -0.083 0.000 2.195 369 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.246 369 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.246 369 G C 0.258 175.070 174.900 -0.146 0.000 0.984 369 G CA 0.238 45.280 45.100 -0.096 0.000 0.633 369 G HN 1.524 nan 8.290 nan 0.000 0.525 370 L N 1.054 122.169 121.223 -0.180 0.000 2.456 370 L HA 0.634 4.974 4.340 -0.000 0.000 0.277 370 L C 0.320 176.977 176.870 -0.355 0.000 1.124 370 L CA 0.501 55.157 54.840 -0.307 0.000 0.880 370 L CB 0.415 42.287 42.059 -0.312 0.000 1.192 370 L HN 0.829 nan 8.230 nan 0.000 0.463 371 A N 5.563 128.138 122.820 -0.408 0.000 2.429 371 A HA 0.544 4.864 4.320 -0.000 0.000 0.289 371 A C -1.074 176.316 177.584 -0.323 0.000 1.043 371 A CA -0.489 51.367 52.037 -0.303 0.000 0.722 371 A CB 0.473 19.383 19.000 -0.149 0.000 1.243 371 A HN 0.605 nan 8.150 nan 0.000 0.415 372 F N 1.184 121.102 119.950 -0.052 0.000 2.399 372 F HA 0.339 4.866 4.527 -0.000 0.000 0.342 372 F C 1.609 177.374 175.800 -0.060 0.000 1.106 372 F CA 0.358 58.321 58.000 -0.062 0.000 1.196 372 F CB 1.689 40.650 39.000 -0.065 0.000 1.163 372 F HN 0.580 nan 8.300 nan 0.000 0.547 373 T N -0.316 114.324 114.554 0.144 0.000 3.044 373 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 373 T C 0.212 174.923 174.700 0.018 0.000 1.081 373 T CA 0.257 62.387 62.100 0.050 0.000 1.040 373 T CB -0.045 68.833 68.868 0.017 0.000 0.962 373 T HN 0.545 nan 8.240 nan 0.000 0.506 374 S N 1.326 117.030 115.700 0.007 0.000 2.627 374 S HA 0.695 5.165 4.470 -0.000 0.000 0.283 374 S C -3.227 171.256 174.600 -0.195 0.000 1.127 374 S CA -1.721 56.413 58.200 -0.110 0.000 0.863 374 S CB 2.214 65.323 63.200 -0.152 0.000 1.121 374 S HN -0.088 nan 8.310 nan 0.000 0.479 375 P HA 0.111 nan 4.420 nan 0.000 0.274 375 P C 1.332 178.346 177.300 -0.477 0.000 1.246 375 P CA -0.619 62.255 63.100 -0.378 0.000 0.795 375 P CB 0.319 31.726 31.700 -0.489 0.000 1.006 376 W N 2.532 123.652 121.300 -0.300 0.000 2.303 376 W HA -0.227 4.433 4.660 -0.000 0.000 0.287 376 W C 0.861 177.386 176.519 0.009 0.000 1.213 376 W CA 1.124 58.374 57.345 -0.159 0.000 1.203 376 W CB -1.858 27.592 29.460 -0.017 0.000 1.136 376 W HN 0.293 nan 8.180 nan 0.000 0.547 377 F N 0.397 119.815 119.950 -0.887 0.000 2.693 377 F HA 0.477 5.004 4.527 -0.000 0.000 0.303 377 F C 1.379 176.999 175.800 -0.300 0.000 1.097 377 F CA -0.808 56.678 58.000 -0.857 0.000 1.330 377 F CB -0.915 37.253 39.000 -1.387 0.000 1.067 377 F HN -0.318 nan 8.300 nan 0.000 0.565 378 R N 0.357 120.576 120.500 -0.469 0.000 3.534 378 R HA 0.157 4.497 4.340 -0.000 0.000 0.312 378 R C 0.925 177.200 176.300 -0.043 0.000 1.419 378 R CA -0.490 55.495 56.100 -0.192 0.000 1.262 378 R CB -0.784 29.330 30.300 -0.311 0.000 1.437 378 R HN 0.282 nan 8.270 nan 0.000 0.627 379 F N 0.930 120.833 119.950 -0.077 0.000 2.064 379 F HA -0.485 4.042 4.527 -0.000 0.000 0.293 379 F C 2.480 178.297 175.800 0.028 0.000 1.086 379 F CA 2.419 60.421 58.000 0.004 0.000 1.242 379 F CB -0.480 38.572 39.000 0.086 0.000 0.970 379 F HN 0.242 nan 8.300 nan 0.000 0.494 380 S N -0.297 115.519 115.700 0.193 0.000 2.380 380 S HA -0.352 4.118 4.470 -0.000 0.000 0.229 380 S C 1.981 176.542 174.600 -0.066 0.000 1.050 380 S CA 2.181 60.425 58.200 0.074 0.000 1.100 380 S CB -0.678 62.570 63.200 0.079 0.000 0.984 380 S HN 0.677 nan 8.310 nan 0.000 0.434 381 E N 0.293 120.454 120.200 -0.066 0.000 2.077 381 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 381 E C 2.587 179.132 176.600 -0.092 0.000 0.989 381 E CA 1.076 57.434 56.400 -0.072 0.000 0.800 381 E CB -0.216 29.446 29.700 -0.064 0.000 0.746 381 E HN 0.508 nan 8.360 nan 0.000 0.452 382 R N 0.408 120.803 120.500 -0.175 0.000 2.115 382 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 382 R C 2.377 178.573 176.300 -0.174 0.000 1.111 382 R CA 0.936 56.949 56.100 -0.144 0.000 0.976 382 R CB -0.252 29.834 30.300 -0.357 0.000 0.870 382 R HN 0.120 nan 8.270 nan 0.000 0.445 383 A N 1.343 123.927 122.820 -0.394 0.000 1.877 383 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 383 A C 2.145 179.654 177.584 -0.125 0.000 1.186 383 A CA 1.334 53.182 52.037 -0.314 0.000 0.620 383 A CB -0.516 18.282 19.000 -0.337 0.000 0.822 383 A HN 0.232 nan 8.150 nan 0.000 0.443 384 R N -0.735 119.707 120.500 -0.096 0.000 2.103 384 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 384 R C 2.108 178.384 176.300 -0.039 0.000 1.142 384 R CA 2.190 58.260 56.100 -0.051 0.000 0.960 384 R CB -0.642 29.636 30.300 -0.037 0.000 0.858 384 R HN 0.515 nan 8.270 nan 0.000 0.439 385 T N 1.814 116.355 114.554 -0.022 0.000 2.674 385 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 385 T C 1.884 176.556 174.700 -0.048 0.000 1.039 385 T CA 1.392 63.476 62.100 -0.026 0.000 1.150 385 T CB -0.108 68.778 68.868 0.029 0.000 0.864 385 T HN 0.133 nan 8.240 nan 0.000 0.427 386 I N 1.420 121.986 120.570 -0.007 0.000 2.163 386 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 386 I C 2.276 178.366 176.117 -0.045 0.000 1.085 386 I CA 1.448 62.732 61.300 -0.026 0.000 1.347 386 I CB -1.439 36.556 38.000 -0.009 0.000 1.044 386 I HN 0.263 nan 8.210 nan 0.000 0.408 387 L N 0.604 121.802 121.223 -0.041 0.000 2.642 387 L HA -0.094 4.246 4.340 -0.000 0.000 0.236 387 L C 2.121 178.971 176.870 -0.034 0.000 1.169 387 L CA 0.496 55.316 54.840 -0.034 0.000 0.851 387 L CB -0.495 41.547 42.059 -0.030 0.000 0.968 387 L HN 0.217 nan 8.230 nan 0.000 0.453 388 A N -0.780 122.014 122.820 -0.043 0.000 2.390 388 A HA 0.270 4.590 4.320 -0.000 0.000 0.232 388 A C 0.883 178.438 177.584 -0.048 0.000 1.233 388 A CA -0.369 51.643 52.037 -0.042 0.000 0.907 388 A CB 0.140 19.113 19.000 -0.045 0.000 0.967 388 A HN 0.210 nan 8.150 nan 0.000 0.512 389 L N 1.343 122.533 121.223 -0.056 0.000 2.530 389 L HA 0.015 4.355 4.340 -0.000 0.000 0.273 389 L C 1.215 178.062 176.870 -0.038 0.000 1.141 389 L CA -0.508 54.298 54.840 -0.057 0.000 0.905 389 L CB 0.509 42.530 42.059 -0.063 0.000 1.202 389 L HN 0.390 nan 8.230 nan 0.000 0.473 390 Q N 2.098 121.877 119.800 -0.035 0.000 2.291 390 Q HA -0.125 4.215 4.340 -0.000 0.000 0.205 390 Q C 1.410 177.399 176.000 -0.020 0.000 0.970 390 Q CA 1.077 56.865 55.803 -0.024 0.000 0.876 390 Q CB -0.025 28.700 28.738 -0.023 0.000 0.935 390 Q HN 0.698 nan 8.270 nan 0.000 0.455 391 N N 0.513 119.199 118.700 -0.024 0.000 2.006 391 N HA -0.117 4.623 4.740 -0.000 0.000 0.196 391 N C 0.675 176.180 175.510 -0.009 0.000 1.057 391 N CA 1.136 54.176 53.050 -0.018 0.000 0.853 391 N CB -0.512 37.961 38.487 -0.024 0.000 1.051 391 N HN 0.071 nan 8.380 nan 0.000 0.423 392 V N 1.690 121.599 119.914 -0.009 0.000 2.583 392 V HA 0.149 4.269 4.120 -0.000 0.000 0.287 392 V C 0.282 176.378 176.094 0.004 0.000 1.051 392 V CA -1.103 61.199 62.300 0.004 0.000 1.010 392 V CB 0.647 32.475 31.823 0.009 0.000 0.988 392 V HN 0.295 nan 8.190 nan 0.000 0.478 393 D N 3.363 123.771 120.400 0.013 0.000 2.362 393 D HA 0.018 4.658 4.640 -0.000 0.000 0.242 393 D C 1.143 177.451 176.300 0.013 0.000 1.132 393 D CA -0.630 53.378 54.000 0.012 0.000 0.907 393 D CB 1.655 42.466 40.800 0.018 0.000 1.195 393 D HN 0.363 nan 8.370 nan 0.000 0.429 394 L N 2.241 123.469 121.223 0.009 0.000 2.040 394 L HA -0.382 3.958 4.340 -0.000 0.000 0.228 394 L C 1.932 178.809 176.870 0.012 0.000 1.092 394 L CA 2.166 57.011 54.840 0.007 0.000 0.805 394 L CB -1.001 41.064 42.059 0.010 0.000 0.905 394 L HN 0.488 nan 8.230 nan 0.000 0.443 395 N N -0.424 118.290 118.700 0.024 0.000 2.011 395 N HA -0.251 4.489 4.740 -0.000 0.000 0.199 395 N C 1.818 177.348 175.510 0.033 0.000 1.047 395 N CA 2.196 55.266 53.050 0.034 0.000 0.863 395 N CB -0.628 37.889 38.487 0.049 0.000 1.056 395 N HN 0.302 nan 8.380 nan 0.000 0.427 396 I N 1.646 122.246 120.570 0.050 0.000 2.248 396 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 396 I C 2.458 178.551 176.117 -0.040 0.000 1.107 396 I CA 1.050 62.389 61.300 0.065 0.000 1.373 396 I CB -0.455 37.607 38.000 0.104 0.000 1.055 396 I HN 0.126 nan 8.210 nan 0.000 0.418 397 R N 0.397 120.878 120.500 -0.031 0.000 2.088 397 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 397 R C 2.275 178.527 176.300 -0.080 0.000 1.136 397 R CA 1.752 57.816 56.100 -0.059 0.000 0.926 397 R CB -0.415 29.866 30.300 -0.032 0.000 0.837 397 R HN 0.323 nan 8.270 nan 0.000 0.429 398 K N 0.422 120.797 120.400 -0.041 0.000 2.089 398 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 398 K C 2.114 178.671 176.600 -0.072 0.000 1.048 398 K CA 1.243 57.516 56.287 -0.023 0.000 0.926 398 K CB -0.191 32.315 32.500 0.010 0.000 0.714 398 K HN 0.128 nan 8.250 nan 0.000 0.448 399 L N 0.948 122.097 121.223 -0.124 0.000 2.017 399 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 399 L C 2.376 178.965 176.870 -0.470 0.000 1.073 399 L CA 1.677 56.369 54.840 -0.246 0.000 0.745 399 L CB -0.792 41.193 42.059 -0.122 0.000 0.894 399 L HN 0.271 nan 8.230 nan 0.000 0.432 400 I N -0.753 119.482 120.570 -0.558 0.000 2.163 400 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 400 I C 2.574 178.582 176.117 -0.182 0.000 1.085 400 I CA 1.093 62.072 61.300 -0.535 0.000 1.347 400 I CB -0.421 37.345 38.000 -0.390 0.000 1.044 400 I HN 0.053 nan 8.210 nan 0.000 0.408 401 V N 0.952 120.827 119.914 -0.065 0.000 2.255 401 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 401 V C 2.622 178.883 176.094 0.279 0.000 1.051 401 V CA 1.876 64.255 62.300 0.132 0.000 1.018 401 V CB -0.808 31.089 31.823 0.124 0.000 0.641 401 V HN 0.377 nan 8.190 nan 0.000 0.445 402 R N -0.846 119.719 120.500 0.108 0.000 2.096 402 R HA -0.228 4.112 4.340 -0.000 0.000 0.240 402 R C 2.308 178.684 176.300 0.127 0.000 1.139 402 R CA 2.225 58.388 56.100 0.106 0.000 0.952 402 R CB -0.717 29.569 30.300 -0.023 0.000 0.854 402 R HN 0.700 nan 8.270 nan 0.000 0.436 403 H N 0.207 119.067 119.070 -0.349 0.000 2.293 403 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 403 H C 2.224 177.635 175.328 0.139 0.000 1.082 403 H CA 1.352 57.253 56.048 -0.247 0.000 1.308 403 H CB 0.071 29.601 29.762 -0.386 0.000 1.375 403 H HN 0.035 nan 8.280 nan 0.000 0.495 404 L N 0.057 121.444 121.223 0.273 0.000 2.043 404 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 404 L C 2.226 179.344 176.870 0.413 0.000 1.075 404 L CA 1.897 56.915 54.840 0.297 0.000 0.752 404 L CB -0.682 41.560 42.059 0.305 0.000 0.891 404 L HN 0.467 nan 8.230 nan 0.000 0.432 405 W N -0.820 120.651 121.300 0.286 0.000 2.333 405 W HA -0.250 4.410 4.660 -0.000 0.000 0.316 405 W C 2.399 178.930 176.519 0.019 0.000 1.215 405 W CA 2.524 59.830 57.345 -0.065 0.000 1.278 405 W CB -0.371 29.083 29.460 -0.010 0.000 1.154 405 W HN -0.049 nan 8.180 nan 0.000 0.486 406 V N 1.077 121.350 119.914 0.599 0.000 2.252 406 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 406 V C 2.244 178.458 176.094 0.200 0.000 1.056 406 V CA 1.981 64.564 62.300 0.472 0.000 1.022 406 V CB -1.118 31.055 31.823 0.583 0.000 0.641 406 V HN 0.190 nan 8.190 nan 0.000 0.445 407 I N 0.213 120.913 120.570 0.217 0.000 2.208 407 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 407 I C 2.527 178.634 176.117 -0.017 0.000 1.097 407 I CA 2.164 63.489 61.300 0.042 0.000 1.363 407 I CB -1.682 36.313 38.000 -0.009 0.000 1.051 407 I HN 0.378 nan 8.210 nan 0.000 0.413 408 T N 0.884 115.410 114.554 -0.047 0.000 2.674 408 T HA -0.165 4.185 4.350 -0.000 0.000 0.265 408 T C 2.106 176.688 174.700 -0.198 0.000 1.039 408 T CA 2.119 64.180 62.100 -0.066 0.000 1.150 408 T CB -0.406 68.345 68.868 -0.195 0.000 0.864 408 T HN 0.558 nan 8.240 nan 0.000 0.427 409 S N 2.097 117.496 115.700 -0.502 0.000 2.365 409 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 409 S C 2.126 176.627 174.600 -0.165 0.000 1.039 409 S CA 1.206 59.093 58.200 -0.521 0.000 1.033 409 S CB -1.024 61.718 63.200 -0.763 0.000 0.887 409 S HN 0.458 nan 8.310 nan 0.000 0.447 410 L N 0.799 122.000 121.223 -0.037 0.000 2.013 410 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 410 L C 2.745 179.643 176.870 0.048 0.000 1.073 410 L CA 1.814 56.714 54.840 0.100 0.000 0.753 410 L CB -0.673 41.416 42.059 0.049 0.000 0.890 410 L HN 0.356 nan 8.230 nan 0.000 0.432 411 I N -0.150 120.446 120.570 0.043 0.000 2.194 411 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 411 I C 2.746 178.736 176.117 -0.211 0.000 1.093 411 I CA 1.314 62.619 61.300 0.008 0.000 1.355 411 I CB -0.491 37.540 38.000 0.053 0.000 1.046 411 I HN 0.243 nan 8.210 nan 0.000 0.413 412 A N 0.027 122.802 122.820 -0.076 0.000 2.019 412 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 412 A C 2.361 179.917 177.584 -0.046 0.000 1.164 412 A CA 1.597 53.622 52.037 -0.021 0.000 0.644 412 A CB -0.611 18.412 19.000 0.037 0.000 0.805 412 A HN 0.288 nan 8.150 nan 0.000 0.449 413 V N -2.036 117.840 119.914 -0.064 0.000 2.374 413 V HA -0.065 4.055 4.120 -0.000 0.000 0.241 413 V C 2.116 178.077 176.094 -0.223 0.000 1.034 413 V CA 1.466 63.707 62.300 -0.098 0.000 1.037 413 V CB -0.850 30.942 31.823 -0.052 0.000 0.682 413 V HN 0.528 nan 8.190 nan 0.000 0.463 414 F N 1.460 121.148 119.950 -0.435 0.000 2.325 414 F HA 0.097 4.624 4.527 -0.000 0.000 0.299 414 F C 2.293 177.839 175.800 -0.424 0.000 1.090 414 F CA 1.310 58.944 58.000 -0.610 0.000 1.392 414 F CB -0.854 37.253 39.000 -1.488 0.000 1.053 414 F HN 0.205 nan 8.300 nan 0.000 0.521 415 G N -0.479 108.172 108.800 -0.248 0.000 2.494 415 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 415 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 415 G C 1.659 176.691 174.900 0.220 0.000 1.140 415 G CA 0.079 45.140 45.100 -0.066 0.000 0.801 415 G HN 0.172 nan 8.290 nan 0.000 0.536 416 R N -0.452 120.060 120.500 0.019 0.000 2.234 416 R HA -0.255 4.085 4.340 -0.000 0.000 0.262 416 R C 1.554 177.765 176.300 -0.148 0.000 1.150 416 R CA 2.046 58.072 56.100 -0.124 0.000 0.981 416 R CB -0.656 29.344 30.300 -0.499 0.000 0.899 416 R HN 0.578 nan 8.270 nan 0.000 0.458 417 Y N -1.412 119.010 120.300 0.204 0.000 2.470 417 Y HA 0.051 4.601 4.550 -0.000 0.000 0.284 417 Y C 0.208 176.251 175.900 0.239 0.000 1.188 417 Y CA -0.938 57.268 58.100 0.175 0.000 1.269 417 Y CB -0.141 38.389 38.460 0.117 0.000 1.094 417 Y HN 0.039 nan 8.280 nan 0.000 0.518 418 Y N 2.833 123.279 120.300 0.242 0.000 2.729 418 Y HA 0.136 4.686 4.550 -0.000 0.000 0.331 418 Y C 0.314 176.294 175.900 0.133 0.000 1.208 418 Y CA -0.499 57.726 58.100 0.209 0.000 1.521 418 Y CB 0.131 38.744 38.460 0.255 0.000 1.233 418 Y HN 0.210 nan 8.280 nan 0.000 0.539 419 R N 7.611 127.998 120.500 -0.188 0.000 3.130 419 R HA 0.276 4.616 4.340 -0.000 0.000 0.261 419 R C -2.710 173.449 176.300 -0.235 0.000 1.683 419 R CA -1.026 54.919 56.100 -0.259 0.000 1.095 419 R CB 0.754 31.017 30.300 -0.062 0.000 1.421 419 R HN 0.404 nan 8.270 nan 0.000 0.454 420 P HA -0.092 nan 4.420 nan 0.000 0.210 420 P C -0.417 176.833 177.300 -0.083 0.000 1.191 420 P CA 0.522 63.512 63.100 -0.185 0.000 0.917 420 P CB 0.051 31.624 31.700 -0.212 0.000 0.778 421 N N 0.000 118.646 118.700 -0.089 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.024 53.050 -0.043 0.000 0.885 421 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667