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 1v8b_1_C DATA FIRST_RESID 4 DATA SEQUENCE NKSKVKDISL APFGKMQMEI SENEMPGLMR IREEYGKDQP LKNAKITGCL DATA SEQUENCE HMTVECALLI ETLQKLGAQI RWCSCNIYST ADYAAAAVST LENVTVFAWK DATA SEQUENCE NETLEEYWWC VESALTWGDG DDNGPDMIVD DGGDATLLVH KGVEYEKLYE DATA SEQUENCE EKNILPDPEK AKNEEERCFL TLLKNSILKN PKKWTNIAKK IIGVSEETTT DATA SEQUENCE GVLRLKKMDK QNELLFTAIN VNDAVTKQKY DNVYGCRHSL PDGLMRATDF DATA SEQUENCE LISGKIVVIC GYGDVGKGCA SSMKGLGARV YITEIDPICA IQAVMEGFNV DATA SEQUENCE VTLDEIVDKG DFFITCTGNV DVIKLEHLLK MKNNAVVGNI GHFDDEIQVN DATA SEQUENCE ELFNYKGIHI ENVKPQVDRI TLPNGNKIIV LARGRLLNLG CATGHPAFVM DATA SEQUENCE SFSFCNQTFA QLDLWQNKDT NKYENKVYLL PKHLDEKVAL YHLKKLNASL DATA SEQUENCE TELDDNQCQF LGVNKSGPFK SNEYRY 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.540 175.510 0.050 0.000 1.280 4 N CA 0.000 53.087 53.050 0.062 0.000 0.885 4 N CB 0.000 38.506 38.487 0.031 0.000 1.341 5 K N 1.152 121.609 120.400 0.095 0.000 2.227 5 K HA 0.465 4.785 4.320 0.000 0.000 0.280 5 K C -0.447 176.165 176.600 0.020 0.000 1.041 5 K CA -0.276 56.044 56.287 0.055 0.000 0.905 5 K CB 0.730 33.279 32.500 0.080 0.000 1.068 5 K HN 0.022 nan 8.250 nan 0.000 0.470 6 S N 3.130 118.756 115.700 -0.124 0.000 2.579 6 S HA 0.049 4.519 4.470 0.000 0.000 0.275 6 S C -0.303 174.253 174.600 -0.074 0.000 1.345 6 S CA -0.203 57.821 58.200 -0.293 0.000 1.031 6 S CB 0.607 63.661 63.200 -0.242 0.000 0.892 6 S HN 0.553 nan 8.310 nan 0.000 0.529 7 K N 2.106 122.498 120.400 -0.014 0.000 2.559 7 K HA 0.513 4.834 4.320 0.000 0.000 0.249 7 K C -1.045 175.697 176.600 0.237 0.000 0.958 7 K CA -0.475 55.934 56.287 0.203 0.000 0.901 7 K CB 0.573 33.393 32.500 0.534 0.000 1.124 7 K HN 0.505 nan 8.250 nan 0.000 0.437 8 V N 0.221 120.195 119.914 0.100 0.000 3.102 8 V HA 0.456 4.576 4.120 0.000 0.000 0.312 8 V C 1.098 177.193 176.094 0.002 0.000 1.135 8 V CA -1.032 61.348 62.300 0.133 0.000 1.022 8 V CB 1.858 33.733 31.823 0.087 0.000 1.056 8 V HN 0.579 nan 8.190 nan 0.000 0.436 9 K N 0.835 121.261 120.400 0.043 0.000 1.969 9 K HA -0.118 4.202 4.320 0.000 0.000 0.216 9 K C 0.251 176.825 176.600 -0.042 0.000 1.048 9 K CA 2.596 58.855 56.287 -0.046 0.000 0.948 9 K CB -0.136 32.395 32.500 0.051 0.000 0.726 9 K HN 1.046 nan 8.250 nan 0.000 0.442 10 D N -0.486 119.918 120.400 0.006 0.000 2.479 10 D HA 0.104 4.744 4.640 0.000 0.000 0.246 10 D C 0.203 176.518 176.300 0.025 0.000 1.336 10 D CA -0.292 53.710 54.000 0.004 0.000 0.967 10 D CB 0.770 41.574 40.800 0.007 0.000 1.275 10 D HN -0.001 nan 8.370 nan 0.000 0.577 11 I N 2.997 123.576 120.570 0.015 0.000 2.800 11 I HA -0.147 4.023 4.170 0.000 0.000 0.266 11 I C 1.789 177.927 176.117 0.034 0.000 1.249 11 I CA 1.430 62.744 61.300 0.023 0.000 1.458 11 I CB -0.161 37.844 38.000 0.008 0.000 1.093 11 I HN 0.477 nan 8.210 nan 0.000 0.466 12 S N -0.956 114.763 115.700 0.031 0.000 2.561 12 S HA 0.013 4.483 4.470 0.000 0.000 0.225 12 S C 1.683 176.320 174.600 0.062 0.000 0.977 12 S CA 0.329 58.551 58.200 0.037 0.000 0.926 12 S CB -0.639 62.575 63.200 0.022 0.000 0.769 12 S HN 0.498 nan 8.310 nan 0.000 0.533 13 L N 0.743 122.017 121.223 0.084 0.000 2.554 13 L HA 0.245 4.585 4.340 0.000 0.000 0.226 13 L C 2.840 179.827 176.870 0.195 0.000 1.137 13 L CA 0.450 55.376 54.840 0.143 0.000 0.863 13 L CB -0.679 41.480 42.059 0.167 0.000 0.985 13 L HN 0.415 nan 8.230 nan 0.000 0.451 14 A N 1.741 124.639 122.820 0.129 0.000 1.903 14 A HA -0.185 4.136 4.320 0.000 0.000 0.219 14 A C 0.097 177.749 177.584 0.113 0.000 1.191 14 A CA 2.098 54.201 52.037 0.111 0.000 0.638 14 A CB -1.801 17.235 19.000 0.061 0.000 0.823 14 A HN 0.304 nan 8.150 nan 0.000 0.451 15 P HA -0.186 nan 4.420 nan 0.000 0.215 15 P C 1.611 178.964 177.300 0.088 0.000 1.153 15 P CA 1.317 64.463 63.100 0.078 0.000 0.853 15 P CB -0.276 31.465 31.700 0.069 0.000 0.788 16 F N 1.653 121.605 119.950 0.003 0.000 2.134 16 F HA -0.057 4.470 4.527 0.000 0.000 0.299 16 F C 2.387 178.167 175.800 -0.035 0.000 1.097 16 F CA 2.214 60.188 58.000 -0.044 0.000 1.264 16 F CB -1.059 37.897 39.000 -0.074 0.000 1.001 16 F HN -0.107 nan 8.300 nan 0.000 0.479 17 G N -0.301 108.631 108.800 0.220 0.000 2.408 17 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 17 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 17 G C 1.651 176.570 174.900 0.032 0.000 1.150 17 G CA 0.817 46.048 45.100 0.218 0.000 0.776 17 G HN 0.248 nan 8.290 nan 0.000 0.542 18 K N -0.464 119.941 120.400 0.009 0.000 2.057 18 K HA 0.011 4.331 4.320 0.000 0.000 0.207 18 K C 2.337 178.890 176.600 -0.077 0.000 1.049 18 K CA 1.291 57.563 56.287 -0.025 0.000 0.931 18 K CB -0.304 32.188 32.500 -0.013 0.000 0.714 18 K HN 0.332 nan 8.250 nan 0.000 0.440 19 M N 0.584 120.100 119.600 -0.140 0.000 2.117 19 M HA -0.154 4.326 4.480 0.000 0.000 0.262 19 M C 1.655 177.828 176.300 -0.212 0.000 1.065 19 M CA 1.674 56.862 55.300 -0.186 0.000 1.114 19 M CB -0.166 32.278 32.600 -0.260 0.000 1.361 19 M HN 0.029 nan 8.290 nan 0.000 0.408 20 Q N -0.257 119.369 119.800 -0.290 0.000 2.084 20 Q HA -0.152 4.189 4.340 0.000 0.000 0.202 20 Q C 2.201 178.154 176.000 -0.078 0.000 0.978 20 Q CA 2.060 57.737 55.803 -0.211 0.000 0.844 20 Q CB -0.569 28.051 28.738 -0.196 0.000 0.898 20 Q HN 0.635 nan 8.270 nan 0.000 0.426 21 M N 0.139 119.711 119.600 -0.048 0.000 2.117 21 M HA -0.177 4.303 4.480 0.000 0.000 0.262 21 M C 2.140 178.421 176.300 -0.033 0.000 1.065 21 M CA 1.410 56.697 55.300 -0.022 0.000 1.114 21 M CB -0.280 32.308 32.600 -0.020 0.000 1.361 21 M HN 0.197 nan 8.290 nan 0.000 0.408 22 E N 1.094 121.265 120.200 -0.049 0.000 2.110 22 E HA -0.191 4.160 4.350 0.000 0.000 0.193 22 E C 1.805 178.381 176.600 -0.039 0.000 0.988 22 E CA 1.225 57.598 56.400 -0.044 0.000 0.804 22 E CB -0.022 29.647 29.700 -0.051 0.000 0.745 22 E HN 0.511 nan 8.360 nan 0.000 0.458 23 I N 0.419 120.960 120.570 -0.049 0.000 2.193 23 I HA -0.203 3.967 4.170 0.000 0.000 0.240 23 I C 2.369 178.477 176.117 -0.013 0.000 1.084 23 I CA 0.872 62.150 61.300 -0.037 0.000 1.365 23 I CB -0.204 37.763 38.000 -0.054 0.000 1.064 23 I HN 0.032 nan 8.210 nan 0.000 0.410 24 S N 0.159 115.855 115.700 -0.006 0.000 2.465 24 S HA -0.196 4.274 4.470 0.000 0.000 0.241 24 S C 1.763 176.373 174.600 0.017 0.000 1.000 24 S CA 0.980 59.192 58.200 0.019 0.000 0.964 24 S CB -0.362 62.858 63.200 0.034 0.000 0.763 24 S HN 0.407 nan 8.310 nan 0.000 0.512 25 E N 1.347 121.546 120.200 -0.002 0.000 2.118 25 E HA -0.153 4.197 4.350 0.000 0.000 0.195 25 E C 1.438 178.034 176.600 -0.008 0.000 0.992 25 E CA 1.114 57.507 56.400 -0.011 0.000 0.804 25 E CB -0.150 29.536 29.700 -0.023 0.000 0.741 25 E HN 0.614 nan 8.360 nan 0.000 0.458 26 N N 0.207 118.909 118.700 0.004 0.000 2.459 26 N HA -0.085 4.656 4.740 0.000 0.000 0.181 26 N C 1.058 176.604 175.510 0.060 0.000 1.046 26 N CA 0.446 53.506 53.050 0.016 0.000 0.904 26 N CB 0.258 38.753 38.487 0.012 0.000 0.964 26 N HN 0.033 nan 8.380 nan 0.000 0.444 27 E N 0.023 120.269 120.200 0.076 0.000 2.479 27 E HA 0.129 4.479 4.350 0.000 0.000 0.193 27 E C 0.018 176.682 176.600 0.105 0.000 1.049 27 E CA 0.371 56.874 56.400 0.171 0.000 0.870 27 E CB 0.295 30.085 29.700 0.150 0.000 0.944 27 E HN 0.469 nan 8.360 nan 0.000 0.492 28 M N 1.591 121.188 119.600 -0.006 0.000 2.944 28 M HA 0.167 4.648 4.480 0.000 0.000 0.235 28 M C -1.868 174.336 176.300 -0.161 0.000 1.188 28 M CA -1.403 53.833 55.300 -0.107 0.000 0.688 28 M CB 1.523 34.095 32.600 -0.047 0.000 1.406 28 M HN -0.223 nan 8.290 nan 0.000 0.479 29 P HA -0.119 nan 4.420 nan 0.000 0.221 29 P C 1.294 178.364 177.300 -0.383 0.000 1.145 29 P CA 1.479 64.419 63.100 -0.267 0.000 0.795 29 P CB 0.206 31.767 31.700 -0.232 0.000 0.775 30 G N 0.816 109.290 108.800 -0.544 0.000 2.434 30 G HA2 -0.179 3.781 3.960 0.000 0.000 0.214 30 G HA3 -0.179 3.781 3.960 0.000 0.000 0.214 30 G C 1.713 176.555 174.900 -0.098 0.000 1.202 30 G CA 0.330 45.249 45.100 -0.302 0.000 0.788 30 G HN 0.207 nan 8.290 nan 0.000 0.539 31 L N 0.138 121.305 121.223 -0.092 0.000 2.083 31 L HA -0.088 4.252 4.340 0.000 0.000 0.209 31 L C 3.064 179.883 176.870 -0.085 0.000 1.083 31 L CA 0.755 55.555 54.840 -0.068 0.000 0.752 31 L CB -0.263 41.778 42.059 -0.030 0.000 0.899 31 L HN 0.182 nan 8.230 nan 0.000 0.433 32 M N -1.092 118.444 119.600 -0.107 0.000 2.213 32 M HA -0.150 4.330 4.480 0.000 0.000 0.263 32 M C 2.270 178.493 176.300 -0.127 0.000 1.062 32 M CA 1.430 56.668 55.300 -0.103 0.000 1.105 32 M CB -1.179 31.360 32.600 -0.102 0.000 1.385 32 M HN 0.163 nan 8.290 nan 0.000 0.417 33 R N 0.383 120.761 120.500 -0.203 0.000 2.092 33 R HA -0.015 4.325 4.340 0.000 0.000 0.231 33 R C 2.069 178.287 176.300 -0.137 0.000 1.119 33 R CA 0.986 56.904 56.100 -0.304 0.000 0.970 33 R CB -0.620 29.223 30.300 -0.761 0.000 0.864 33 R HN 0.340 nan 8.270 nan 0.000 0.440 34 I N 0.679 121.230 120.570 -0.031 0.000 2.226 34 I HA -0.247 3.923 4.170 0.000 0.000 0.245 34 I C 2.220 178.417 176.117 0.133 0.000 1.100 34 I CA 1.298 62.670 61.300 0.119 0.000 1.374 34 I CB -0.898 37.081 38.000 -0.035 0.000 1.057 34 I HN 0.127 nan 8.210 nan 0.000 0.413 35 R N 0.689 121.205 120.500 0.026 0.000 2.120 35 R HA -0.155 4.185 4.340 0.000 0.000 0.234 35 R C 2.086 178.398 176.300 0.020 0.000 1.123 35 R CA 1.157 57.269 56.100 0.020 0.000 0.975 35 R CB -0.201 30.086 30.300 -0.021 0.000 0.866 35 R HN 0.515 nan 8.270 nan 0.000 0.446 36 E N 0.211 120.405 120.200 -0.011 0.000 2.152 36 E HA -0.136 4.214 4.350 0.000 0.000 0.192 36 E C 1.657 178.240 176.600 -0.030 0.000 0.983 36 E CA 0.859 57.240 56.400 -0.032 0.000 0.818 36 E CB 0.188 29.846 29.700 -0.070 0.000 0.758 36 E HN 0.438 nan 8.360 nan 0.000 0.467 37 E N -0.014 120.182 120.200 -0.007 0.000 2.038 37 E HA -0.055 4.295 4.350 0.000 0.000 0.190 37 E C 0.815 177.312 176.600 -0.172 0.000 0.967 37 E CA 0.605 56.937 56.400 -0.114 0.000 0.816 37 E CB 0.055 29.659 29.700 -0.160 0.000 0.784 37 E HN 0.274 nan 8.360 nan 0.000 0.456 38 Y N 0.716 121.050 120.300 0.057 0.000 2.537 38 Y HA 0.240 4.790 4.550 0.000 0.000 0.303 38 Y C 1.607 177.524 175.900 0.029 0.000 1.176 38 Y CA -0.021 58.115 58.100 0.061 0.000 1.273 38 Y CB -0.087 38.428 38.460 0.092 0.000 1.110 38 Y HN 0.079 nan 8.280 nan 0.000 0.518 39 G N 1.382 110.251 108.800 0.114 0.000 2.547 39 G HA2 -0.206 3.754 3.960 0.000 0.000 0.214 39 G HA3 -0.206 3.754 3.960 0.000 0.000 0.214 39 G C 1.742 176.670 174.900 0.046 0.000 1.254 39 G CA 0.409 45.548 45.100 0.064 0.000 0.817 39 G HN 0.304 nan 8.290 nan 0.000 0.551 40 K N 0.997 121.412 120.400 0.026 0.000 2.515 40 K HA -0.065 4.255 4.320 0.000 0.000 0.196 40 K C 1.320 177.938 176.600 0.031 0.000 1.038 40 K CA 1.442 57.741 56.287 0.020 0.000 0.967 40 K CB -0.159 32.345 32.500 0.007 0.000 0.780 40 K HN 0.345 nan 8.250 nan 0.000 0.483 41 D N 1.160 121.589 120.400 0.049 0.000 2.213 41 D HA -0.109 4.532 4.640 0.000 0.000 0.205 41 D C -0.165 176.184 176.300 0.082 0.000 0.961 41 D CA 0.409 54.449 54.000 0.067 0.000 0.853 41 D CB 0.281 41.134 40.800 0.087 0.000 0.967 41 D HN 0.127 nan 8.370 nan 0.000 0.496 42 Q N -0.286 119.562 119.800 0.080 0.000 2.460 42 Q HA -0.160 4.181 4.340 0.000 0.000 0.311 42 Q C -1.715 174.337 176.000 0.086 0.000 1.396 42 Q CA 0.685 56.525 55.803 0.062 0.000 0.838 42 Q CB -1.600 27.164 28.738 0.044 0.000 1.140 42 Q HN 0.452 nan 8.270 nan 0.000 0.415 43 P HA -0.121 nan 4.420 nan 0.000 0.223 43 P C 1.026 178.395 177.300 0.115 0.000 1.151 43 P CA 0.911 64.117 63.100 0.176 0.000 0.787 43 P CB 0.174 32.012 31.700 0.231 0.000 0.788 44 L N -1.184 119.988 121.223 -0.085 0.000 2.741 44 L HA 0.235 4.576 4.340 0.000 0.000 0.237 44 L C 0.927 177.564 176.870 -0.388 0.000 1.178 44 L CA -0.634 53.941 54.840 -0.443 0.000 0.973 44 L CB -0.398 41.418 42.059 -0.405 0.000 1.255 44 L HN -0.183 nan 8.230 nan 0.000 0.498 45 K N 1.584 121.920 120.400 -0.107 0.000 2.472 45 K HA -0.056 4.265 4.320 0.000 0.000 0.280 45 K C 0.804 177.391 176.600 -0.022 0.000 1.028 45 K CA 0.627 56.891 56.287 -0.039 0.000 1.045 45 K CB 0.041 32.571 32.500 0.051 0.000 0.902 45 K HN 0.148 nan 8.250 nan 0.000 0.478 46 N N 0.283 118.948 118.700 -0.058 0.000 2.965 46 N HA -0.206 4.534 4.740 0.000 0.000 0.232 46 N C -0.991 174.432 175.510 -0.145 0.000 0.913 46 N CA 1.295 54.333 53.050 -0.019 0.000 0.981 46 N CB -1.622 36.935 38.487 0.117 0.000 1.077 46 N HN 0.610 nan 8.380 nan 0.000 0.589 47 A N 0.980 123.493 122.820 -0.512 0.000 2.363 47 A HA 0.427 4.747 4.320 0.000 0.000 0.270 47 A C 0.441 177.740 177.584 -0.474 0.000 1.121 47 A CA 0.037 51.535 52.037 -0.898 0.000 0.800 47 A CB 0.554 18.579 19.000 -1.625 0.000 1.052 47 A HN 0.156 nan 8.150 nan 0.000 0.493 48 K N 2.665 122.790 120.400 -0.457 0.000 2.281 48 K HA 0.507 4.828 4.320 0.000 0.000 0.272 48 K C -1.223 175.139 176.600 -0.397 0.000 1.048 48 K CA 0.137 56.023 56.287 -0.667 0.000 0.898 48 K CB 1.181 32.886 32.500 -1.324 0.000 1.128 48 K HN 0.632 nan 8.250 nan 0.000 0.460 49 I N 2.105 122.659 120.570 -0.027 0.000 2.406 49 I HA 0.203 4.373 4.170 0.000 0.000 0.290 49 I C -0.109 176.232 176.117 0.373 0.000 0.999 49 I CA -0.641 60.728 61.300 0.115 0.000 1.124 49 I CB 2.144 40.193 38.000 0.082 0.000 1.289 49 I HN 0.410 nan 8.210 nan 0.000 0.441 50 T N 4.397 119.093 114.554 0.237 0.000 2.794 50 T HA 0.593 4.943 4.350 0.000 0.000 0.280 50 T C 0.106 174.665 174.700 -0.235 0.000 0.987 50 T CA -0.572 61.620 62.100 0.154 0.000 0.993 50 T CB 1.590 70.585 68.868 0.211 0.000 0.939 50 T HN 0.802 nan 8.240 nan 0.000 0.449 51 G N 0.117 108.505 108.800 -0.688 0.000 2.482 51 G HA2 0.526 4.486 3.960 0.000 0.000 0.317 51 G HA3 0.526 4.486 3.960 0.000 0.000 0.317 51 G C -0.985 173.061 174.900 -1.423 0.000 1.241 51 G CA -0.499 43.601 45.100 -1.667 0.000 0.967 51 G HN 0.812 nan 8.290 nan 0.000 0.482 52 C N 3.533 122.264 119.300 -0.947 0.000 3.328 52 C HA 0.762 5.223 4.460 0.000 0.000 0.230 52 C C -0.670 174.110 174.990 -0.351 0.000 1.232 52 C CA -0.633 58.061 59.018 -0.539 0.000 1.431 52 C CB -1.906 25.649 27.740 -0.309 0.000 1.818 52 C HN 0.728 nan 8.230 nan 0.000 0.484 53 L N 4.419 125.505 121.223 -0.228 0.000 2.466 53 L HA 0.574 4.914 4.340 0.000 0.000 0.258 53 L C -0.460 176.505 176.870 0.159 0.000 0.973 53 L CA -0.337 54.507 54.840 0.007 0.000 0.826 53 L CB 1.408 43.612 42.059 0.243 0.000 1.372 53 L HN 0.522 nan 8.230 nan 0.000 0.409 54 H N 4.157 123.348 119.070 0.202 0.000 3.232 54 H HA -0.112 4.445 4.556 0.000 0.000 0.276 54 H C 0.109 175.551 175.328 0.191 0.000 0.882 54 H CA 0.490 56.635 56.048 0.161 0.000 1.415 54 H CB 0.289 30.119 29.762 0.113 0.000 1.405 54 H HN 0.447 nan 8.280 nan 0.000 0.543 55 M N 4.672 124.418 119.600 0.242 0.000 3.237 55 M HA 0.038 4.518 4.480 0.000 0.000 0.266 55 M C 0.017 176.361 176.300 0.073 0.000 1.456 55 M CA -0.221 55.166 55.300 0.144 0.000 1.593 55 M CB -0.733 31.942 32.600 0.125 0.000 1.129 55 M HN 0.620 nan 8.290 nan 0.000 0.547 56 T N -1.564 113.046 114.554 0.094 0.000 2.919 56 T HA 0.498 4.848 4.350 0.000 0.000 0.282 56 T C 1.080 175.815 174.700 0.059 0.000 1.020 56 T CA -0.932 61.208 62.100 0.066 0.000 0.994 56 T CB 0.827 69.768 68.868 0.121 0.000 1.180 56 T HN 0.090 nan 8.240 nan 0.000 0.566 57 V N 1.118 121.090 119.914 0.097 0.000 2.332 57 V HA -0.135 3.986 4.120 0.000 0.000 0.248 57 V C 2.740 178.897 176.094 0.105 0.000 1.055 57 V CA 2.185 64.555 62.300 0.117 0.000 1.038 57 V CB -1.152 30.781 31.823 0.183 0.000 0.651 57 V HN 0.871 nan 8.190 nan 0.000 0.450 58 E N -0.823 119.476 120.200 0.166 0.000 2.110 58 E HA -0.213 4.138 4.350 0.000 0.000 0.193 58 E C 2.170 178.977 176.600 0.346 0.000 0.988 58 E CA 1.522 58.084 56.400 0.271 0.000 0.804 58 E CB -0.846 29.033 29.700 0.298 0.000 0.745 58 E HN 0.651 nan 8.360 nan 0.000 0.458 59 C N 0.214 119.640 119.300 0.211 0.000 2.435 59 C HA 0.084 4.544 4.460 0.000 0.000 0.279 59 C C 2.694 177.486 174.990 -0.330 0.000 1.321 59 C CA 0.905 59.854 59.018 -0.115 0.000 1.752 59 C CB -1.049 26.679 27.740 -0.021 0.000 1.959 59 C HN 0.482 nan 8.230 nan 0.000 0.500 60 A N 0.326 123.034 122.820 -0.187 0.000 1.933 60 A HA -0.042 4.278 4.320 0.000 0.000 0.218 60 A C 2.159 179.621 177.584 -0.203 0.000 1.175 60 A CA 1.625 53.532 52.037 -0.216 0.000 0.628 60 A CB -0.643 18.298 19.000 -0.098 0.000 0.814 60 A HN 0.661 nan 8.150 nan 0.000 0.444 61 L N -0.975 120.177 121.223 -0.119 0.000 2.217 61 L HA -0.103 4.237 4.340 0.000 0.000 0.211 61 L C 2.472 179.246 176.870 -0.160 0.000 1.107 61 L CA 0.738 55.522 54.840 -0.093 0.000 0.783 61 L CB -0.386 41.669 42.059 -0.006 0.000 0.919 61 L HN 0.496 nan 8.230 nan 0.000 0.442 62 L N -0.109 120.941 121.223 -0.290 0.000 2.072 62 L HA -0.142 4.198 4.340 0.000 0.000 0.205 62 L C 2.378 179.005 176.870 -0.406 0.000 1.079 62 L CA 1.651 56.237 54.840 -0.424 0.000 0.752 62 L CB -0.368 41.142 42.059 -0.916 0.000 0.906 62 L HN 0.010 nan 8.230 nan 0.000 0.436 63 I N 0.215 120.464 120.570 -0.535 0.000 2.127 63 I HA -0.304 3.866 4.170 0.000 0.000 0.241 63 I C 2.584 178.533 176.117 -0.279 0.000 1.075 63 I CA 1.807 62.798 61.300 -0.515 0.000 1.334 63 I CB -1.517 36.118 38.000 -0.608 0.000 1.040 63 I HN 0.526 nan 8.210 nan 0.000 0.405 64 E N 0.557 120.620 120.200 -0.228 0.000 2.118 64 E HA -0.202 4.148 4.350 0.000 0.000 0.195 64 E C 2.048 178.577 176.600 -0.119 0.000 0.992 64 E CA 1.890 58.203 56.400 -0.146 0.000 0.804 64 E CB 0.128 29.757 29.700 -0.118 0.000 0.741 64 E HN 0.444 nan 8.360 nan 0.000 0.458 65 T N 1.125 115.599 114.554 -0.133 0.000 2.737 65 T HA -0.094 4.256 4.350 0.000 0.000 0.265 65 T C 1.863 176.502 174.700 -0.101 0.000 1.038 65 T CA 1.024 63.061 62.100 -0.105 0.000 1.144 65 T CB -0.142 68.659 68.868 -0.111 0.000 0.866 65 T HN 0.148 nan 8.240 nan 0.000 0.434 66 L N 1.155 122.304 121.223 -0.123 0.000 2.017 66 L HA -0.190 4.150 4.340 0.000 0.000 0.208 66 L C 2.923 179.742 176.870 -0.086 0.000 1.073 66 L CA 1.615 56.394 54.840 -0.101 0.000 0.745 66 L CB -0.655 41.355 42.059 -0.083 0.000 0.894 66 L HN 0.378 nan 8.230 nan 0.000 0.432 67 Q N 0.448 120.198 119.800 -0.083 0.000 2.167 67 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 67 Q C 1.845 177.813 176.000 -0.052 0.000 0.970 67 Q CA 1.512 57.279 55.803 -0.061 0.000 0.855 67 Q CB -0.301 28.402 28.738 -0.058 0.000 0.911 67 Q HN 0.276 nan 8.270 nan 0.000 0.438 68 K N 0.018 120.385 120.400 -0.054 0.000 2.439 68 K HA 0.083 4.403 4.320 0.000 0.000 0.197 68 K C 1.269 177.855 176.600 -0.024 0.000 1.041 68 K CA 0.582 56.847 56.287 -0.036 0.000 0.970 68 K CB 0.082 32.560 32.500 -0.036 0.000 0.773 68 K HN 0.305 nan 8.250 nan 0.000 0.479 69 L N -0.594 120.607 121.223 -0.037 0.000 2.592 69 L HA 0.106 4.446 4.340 0.000 0.000 0.227 69 L C 0.968 177.813 176.870 -0.042 0.000 1.127 69 L CA 0.296 55.121 54.840 -0.025 0.000 0.884 69 L CB 0.298 42.329 42.059 -0.046 0.000 1.065 69 L HN 0.395 nan 8.230 nan 0.000 0.457 70 G N -0.005 108.765 108.800 -0.050 0.000 2.144 70 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 70 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 70 G C 0.224 175.067 174.900 -0.097 0.000 0.988 70 G CA -0.045 45.022 45.100 -0.055 0.000 0.659 70 G HN 0.439 nan 8.290 nan 0.000 0.522 71 A N -0.415 122.334 122.820 -0.118 0.000 2.282 71 A HA 0.838 5.158 4.320 0.000 0.000 0.319 71 A C 0.248 177.809 177.584 -0.038 0.000 1.121 71 A CA -0.256 51.694 52.037 -0.144 0.000 0.836 71 A CB 0.728 19.614 19.000 -0.190 0.000 1.146 71 A HN 0.440 nan 8.150 nan 0.000 0.494 72 Q N -0.320 119.487 119.800 0.011 0.000 2.245 72 Q HA 0.632 4.973 4.340 0.000 0.000 0.256 72 Q C -1.529 174.669 176.000 0.331 0.000 0.942 72 Q CA -0.271 55.635 55.803 0.173 0.000 0.896 72 Q CB 1.914 30.814 28.738 0.270 0.000 1.272 72 Q HN 0.580 nan 8.270 nan 0.000 0.442 73 I N 1.107 121.866 120.570 0.314 0.000 2.647 73 I HA 0.421 4.592 4.170 0.000 0.000 0.295 73 I C -0.698 175.517 176.117 0.164 0.000 1.078 73 I CA -0.417 61.086 61.300 0.339 0.000 1.048 73 I CB 2.156 40.298 38.000 0.237 0.000 1.239 73 I HN 0.380 nan 8.210 nan 0.000 0.421 74 R N 4.179 124.775 120.500 0.161 0.000 2.561 74 R HA 0.524 4.864 4.340 0.000 0.000 0.297 74 R C -1.767 174.664 176.300 0.220 0.000 0.969 74 R CA -0.739 55.341 56.100 -0.033 0.000 0.879 74 R CB 2.512 32.537 30.300 -0.459 0.000 1.178 74 R HN 0.587 nan 8.270 nan 0.000 0.445 75 W N 3.402 124.688 121.300 -0.024 0.000 3.107 75 W HA 0.521 5.181 4.660 0.000 0.000 0.331 75 W C -1.081 175.461 176.519 0.037 0.000 1.204 75 W CA -0.604 56.738 57.345 -0.005 0.000 1.184 75 W CB 2.044 31.475 29.460 -0.048 0.000 1.421 75 W HN 0.767 nan 8.180 nan 0.000 0.544 76 C N 1.152 120.465 119.300 0.021 0.000 3.241 76 C HA 0.779 5.239 4.460 0.000 0.000 0.312 76 C C -0.049 174.943 174.990 0.003 0.000 1.350 76 C CA -0.672 58.372 59.018 0.044 0.000 1.415 76 C CB 1.261 28.940 27.740 -0.102 0.000 1.770 76 C HN 0.600 nan 8.230 nan 0.000 0.466 77 S N -0.765 114.940 115.700 0.008 0.000 2.632 77 S HA 0.505 4.976 4.470 0.000 0.000 0.271 77 S C 0.905 175.491 174.600 -0.024 0.000 1.260 77 S CA -0.037 58.178 58.200 0.026 0.000 1.010 77 S CB 0.616 63.848 63.200 0.053 0.000 0.965 77 S HN 1.650 nan 8.310 nan 0.000 0.534 78 C N 2.574 121.820 119.300 -0.090 0.000 2.780 78 C HA 0.549 5.009 4.460 0.000 0.000 0.287 78 C C 0.285 175.257 174.990 -0.030 0.000 1.288 78 C CA -0.908 58.089 59.018 -0.034 0.000 1.713 78 C CB -1.898 25.708 27.740 -0.223 0.000 1.955 78 C HN 0.705 nan 8.230 nan 0.000 0.613 79 N N 1.119 119.805 118.700 -0.023 0.000 2.371 79 N HA 0.281 5.021 4.740 0.000 0.000 0.280 79 N C 0.382 175.791 175.510 -0.169 0.000 1.084 79 N CA -0.412 52.556 53.050 -0.136 0.000 0.892 79 N CB 1.593 40.136 38.487 0.094 0.000 1.653 79 N HN 0.411 nan 8.380 nan 0.000 0.480 80 I N 0.271 120.586 120.570 -0.424 0.000 3.083 80 I HA -0.003 4.168 4.170 0.000 0.000 0.273 80 I C 0.091 176.026 176.117 -0.303 0.000 1.297 80 I CA 0.861 61.901 61.300 -0.434 0.000 1.452 80 I CB -0.233 37.386 38.000 -0.634 0.000 1.078 80 I HN 0.436 nan 8.210 nan 0.000 0.484 81 Y N 0.533 120.819 120.300 -0.024 0.000 2.423 81 Y HA 0.127 4.677 4.550 0.000 0.000 0.257 81 Y C 2.649 178.563 175.900 0.023 0.000 1.087 81 Y CA 0.107 58.209 58.100 0.003 0.000 1.258 81 Y CB 0.344 38.801 38.460 -0.004 0.000 1.237 81 Y HN 0.221 nan 8.280 nan 0.000 0.517 82 S N -0.641 115.169 115.700 0.183 0.000 2.481 82 S HA -0.034 4.436 4.470 0.000 0.000 0.231 82 S C 0.839 175.515 174.600 0.126 0.000 0.996 82 S CA 0.208 58.502 58.200 0.156 0.000 0.942 82 S CB -0.689 62.684 63.200 0.288 0.000 0.768 82 S HN 0.063 nan 8.310 nan 0.000 0.520 83 T N 3.197 117.816 114.554 0.109 0.000 2.888 83 T HA 0.492 4.842 4.350 0.000 0.000 0.301 83 T C 0.056 174.756 174.700 0.000 0.000 1.001 83 T CA 0.314 62.453 62.100 0.066 0.000 1.147 83 T CB 0.841 69.748 68.868 0.065 0.000 0.931 83 T HN 0.473 nan 8.240 nan 0.000 0.541 84 A N 3.423 126.180 122.820 -0.106 0.000 2.280 84 A HA 0.387 4.707 4.320 0.000 0.000 0.320 84 A C 1.152 178.516 177.584 -0.366 0.000 1.366 84 A CA -0.781 51.042 52.037 -0.357 0.000 0.938 84 A CB 0.254 18.888 19.000 -0.609 0.000 1.157 84 A HN 0.815 nan 8.150 nan 0.000 0.536 85 D N 1.570 121.848 120.400 -0.204 0.000 2.133 85 D HA -0.257 4.384 4.640 0.000 0.000 0.195 85 D C 1.481 177.769 176.300 -0.020 0.000 0.997 85 D CA 2.514 56.490 54.000 -0.040 0.000 0.840 85 D CB -0.252 40.581 40.800 0.056 0.000 0.947 85 D HN 0.909 nan 8.370 nan 0.000 0.452 86 Y N 0.123 120.498 120.300 0.124 0.000 2.352 86 Y HA 0.155 4.705 4.550 0.000 0.000 0.292 86 Y C 2.296 178.282 175.900 0.143 0.000 1.136 86 Y CA 0.691 58.893 58.100 0.170 0.000 1.227 86 Y CB -0.851 37.815 38.460 0.342 0.000 0.991 86 Y HN -0.063 nan 8.280 nan 0.000 0.545 87 A N 1.226 124.012 122.820 -0.056 0.000 1.930 87 A HA 0.158 4.478 4.320 0.000 0.000 0.215 87 A C 2.467 180.047 177.584 -0.008 0.000 1.176 87 A CA 1.290 53.338 52.037 0.020 0.000 0.632 87 A CB -1.212 17.748 19.000 -0.065 0.000 0.819 87 A HN 0.562 nan 8.150 nan 0.000 0.445 88 A N 0.099 122.906 122.820 -0.023 0.000 1.902 88 A HA 0.167 4.487 4.320 0.000 0.000 0.217 88 A C 2.476 180.068 177.584 0.013 0.000 1.181 88 A CA 2.030 54.068 52.037 0.002 0.000 0.623 88 A CB -0.949 18.081 19.000 0.050 0.000 0.818 88 A HN 0.974 nan 8.150 nan 0.000 0.443 89 A N -0.198 122.648 122.820 0.044 0.000 1.898 89 A HA 0.200 4.520 4.320 0.000 0.000 0.216 89 A C 2.504 180.110 177.584 0.036 0.000 1.181 89 A CA 2.006 54.071 52.037 0.048 0.000 0.620 89 A CB -0.990 18.059 19.000 0.080 0.000 0.819 89 A HN 1.015 nan 8.150 nan 0.000 0.442 90 A N -0.821 122.032 122.820 0.056 0.000 1.902 90 A HA -0.014 4.306 4.320 0.000 0.000 0.217 90 A C 2.323 179.899 177.584 -0.013 0.000 1.181 90 A CA 1.761 53.820 52.037 0.036 0.000 0.623 90 A CB -1.052 17.986 19.000 0.064 0.000 0.818 90 A HN 0.742 nan 8.150 nan 0.000 0.443 91 V N 1.018 120.907 119.914 -0.041 0.000 2.548 91 V HA -0.159 3.961 4.120 0.000 0.000 0.249 91 V C 2.698 178.741 176.094 -0.086 0.000 1.055 91 V CA 2.596 64.842 62.300 -0.091 0.000 1.065 91 V CB -0.450 31.277 31.823 -0.159 0.000 0.681 91 V HN 0.795 nan 8.190 nan 0.000 0.462 92 S N -1.844 113.814 115.700 -0.069 0.000 2.537 92 S HA -0.165 4.305 4.470 0.000 0.000 0.240 92 S C 1.728 176.293 174.600 -0.058 0.000 0.981 92 S CA 1.657 59.811 58.200 -0.077 0.000 0.948 92 S CB -0.538 62.620 63.200 -0.069 0.000 0.759 92 S HN 0.608 nan 8.310 nan 0.000 0.531 93 T N 2.190 116.719 114.554 -0.042 0.000 2.978 93 T HA 0.265 4.615 4.350 0.000 0.000 0.262 93 T C 0.680 175.360 174.700 -0.033 0.000 1.063 93 T CA 0.078 62.160 62.100 -0.029 0.000 1.140 93 T CB -0.222 68.636 68.868 -0.016 0.000 0.886 93 T HN 0.234 nan 8.240 nan 0.000 0.470 94 L N 2.378 123.574 121.223 -0.045 0.000 2.492 94 L HA 0.139 4.479 4.340 0.000 0.000 0.280 94 L C 0.852 177.701 176.870 -0.035 0.000 1.240 94 L CA 0.465 55.279 54.840 -0.044 0.000 0.831 94 L CB -0.035 41.988 42.059 -0.061 0.000 1.100 94 L HN 0.266 nan 8.230 nan 0.000 0.505 95 E N 2.257 122.441 120.200 -0.025 0.000 2.354 95 E HA 0.043 4.394 4.350 0.000 0.000 0.269 95 E C 0.294 176.889 176.600 -0.008 0.000 1.036 95 E CA -0.207 56.185 56.400 -0.013 0.000 0.876 95 E CB 0.304 30.000 29.700 -0.007 0.000 1.009 95 E HN 0.425 nan 8.360 nan 0.000 0.416 96 N N -0.238 118.466 118.700 0.006 0.000 2.741 96 N HA -0.160 4.580 4.740 0.000 0.000 0.250 96 N C -1.016 174.510 175.510 0.026 0.000 1.115 96 N CA 0.622 53.690 53.050 0.031 0.000 0.724 96 N CB -1.222 37.290 38.487 0.041 0.000 1.090 96 N HN 0.160 nan 8.380 nan 0.000 0.558 97 V N 0.497 120.401 119.914 -0.016 0.000 2.525 97 V HA 0.493 4.613 4.120 0.000 0.000 0.299 97 V C 0.213 176.253 176.094 -0.090 0.000 1.034 97 V CA -0.408 61.869 62.300 -0.038 0.000 0.863 97 V CB 2.370 34.155 31.823 -0.063 0.000 0.999 97 V HN 0.099 nan 8.190 nan 0.000 0.423 98 T N 4.151 118.628 114.554 -0.128 0.000 2.841 98 T HA 0.725 5.075 4.350 0.000 0.000 0.283 98 T C -0.634 173.857 174.700 -0.347 0.000 1.000 98 T CA -0.485 61.456 62.100 -0.265 0.000 0.977 98 T CB 1.944 70.653 68.868 -0.266 0.000 0.979 98 T HN 0.348 nan 8.240 nan 0.000 0.446 99 V N 3.283 122.880 119.914 -0.529 0.000 2.656 99 V HA 0.599 4.719 4.120 0.000 0.000 0.307 99 V C -1.335 174.354 176.094 -0.676 0.000 1.051 99 V CA -0.910 61.153 62.300 -0.394 0.000 0.893 99 V CB 1.694 33.434 31.823 -0.138 0.000 0.999 99 V HN 0.890 nan 8.190 nan 0.000 0.426 100 F N 3.147 123.180 119.950 0.138 0.000 2.691 100 F HA 0.832 5.359 4.527 0.000 0.000 0.371 100 F C 0.249 176.139 175.800 0.151 0.000 1.159 100 F CA -0.315 57.815 58.000 0.217 0.000 1.174 100 F CB 1.638 40.708 39.000 0.116 0.000 1.419 100 F HN 0.626 nan 8.300 nan 0.000 0.514 101 A N 2.672 125.692 122.820 0.334 0.000 2.582 101 A HA 0.789 5.109 4.320 0.000 0.000 0.297 101 A C -2.172 175.613 177.584 0.335 0.000 1.059 101 A CA -0.800 51.316 52.037 0.131 0.000 0.705 101 A CB 0.952 20.014 19.000 0.104 0.000 1.279 101 A HN 0.786 nan 8.150 nan 0.000 0.404 102 W N 0.999 122.365 121.300 0.109 0.000 3.275 102 W HA 0.684 5.344 4.660 0.000 0.000 0.306 102 W C -0.941 175.632 176.519 0.091 0.000 1.259 102 W CA -0.768 56.625 57.345 0.080 0.000 1.194 102 W CB 0.815 30.320 29.460 0.074 0.000 1.375 102 W HN 0.790 nan 8.180 nan 0.000 0.564 103 K N 2.688 123.255 120.400 0.278 0.000 2.382 103 K HA 0.114 4.434 4.320 0.000 0.000 0.275 103 K C 0.482 177.261 176.600 0.298 0.000 1.009 103 K CA 0.341 56.756 56.287 0.213 0.000 0.970 103 K CB 0.166 32.772 32.500 0.176 0.000 0.934 103 K HN 0.715 nan 8.250 nan 0.000 0.479 104 N N 2.087 120.961 118.700 0.290 0.000 2.783 104 N HA -0.160 4.580 4.740 0.000 0.000 0.247 104 N C -1.244 174.424 175.510 0.263 0.000 1.089 104 N CA 1.159 54.410 53.050 0.335 0.000 0.690 104 N CB -1.046 37.617 38.487 0.294 0.000 0.991 104 N HN 0.731 nan 8.380 nan 0.000 0.552 105 E N -0.409 119.820 120.200 0.049 0.000 2.343 105 E HA 0.390 4.740 4.350 0.000 0.000 0.269 105 E C 0.878 177.494 176.600 0.027 0.000 1.047 105 E CA -0.645 55.757 56.400 0.003 0.000 0.874 105 E CB 0.720 30.059 29.700 -0.601 0.000 1.033 105 E HN 0.268 nan 8.360 nan 0.000 0.409 106 T N -0.365 114.266 114.554 0.129 0.000 2.828 106 T HA 0.117 4.467 4.350 0.000 0.000 0.290 106 T C 1.257 175.996 174.700 0.065 0.000 1.019 106 T CA -0.660 61.497 62.100 0.095 0.000 1.031 106 T CB 0.500 69.449 68.868 0.136 0.000 1.001 106 T HN 0.529 nan 8.240 nan 0.000 0.531 107 L N 0.143 121.402 121.223 0.061 0.000 2.131 107 L HA -0.052 4.289 4.340 0.000 0.000 0.210 107 L C 3.051 180.074 176.870 0.254 0.000 1.092 107 L CA 1.679 56.576 54.840 0.096 0.000 0.759 107 L CB -0.580 41.544 42.059 0.107 0.000 0.903 107 L HN 0.886 nan 8.230 nan 0.000 0.435 108 E N 0.486 120.824 120.200 0.230 0.000 2.072 108 E HA -0.227 4.123 4.350 0.000 0.000 0.191 108 E C 1.916 178.688 176.600 0.287 0.000 0.985 108 E CA 1.193 57.753 56.400 0.267 0.000 0.801 108 E CB 0.139 29.946 29.700 0.179 0.000 0.750 108 E HN 0.543 nan 8.360 nan 0.000 0.452 109 E N -0.470 119.868 120.200 0.230 0.000 2.152 109 E HA -0.192 4.158 4.350 0.000 0.000 0.192 109 E C 1.834 178.540 176.600 0.177 0.000 0.983 109 E CA 0.814 57.365 56.400 0.252 0.000 0.818 109 E CB -0.233 29.645 29.700 0.297 0.000 0.758 109 E HN 0.341 nan 8.360 nan 0.000 0.467 110 Y N 0.223 120.480 120.300 -0.072 0.000 2.097 110 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 110 Y C 1.607 177.379 175.900 -0.214 0.000 1.152 110 Y CA 1.746 59.682 58.100 -0.273 0.000 1.136 110 Y CB -0.498 37.685 38.460 -0.462 0.000 0.975 110 Y HN 0.054 nan 8.280 nan 0.000 0.498 111 W N -1.382 119.922 121.300 0.007 0.000 2.425 111 W HA -0.144 4.516 4.660 0.000 0.000 0.277 111 W C 2.216 178.697 176.519 -0.063 0.000 1.231 111 W CA 0.763 58.069 57.345 -0.064 0.000 1.248 111 W CB -0.858 28.674 29.460 0.120 0.000 1.117 111 W HN 0.311 nan 8.180 nan 0.000 0.568 112 W N 0.125 121.474 121.300 0.082 0.000 2.358 112 W HA -0.253 4.408 4.660 0.000 0.000 0.303 112 W C 2.122 178.580 176.519 -0.102 0.000 1.208 112 W CA 1.990 59.347 57.345 0.020 0.000 1.274 112 W CB -0.790 28.706 29.460 0.060 0.000 1.138 112 W HN -0.246 nan 8.180 nan 0.000 0.515 113 C N -0.519 118.757 119.300 -0.040 0.000 2.425 113 C HA -0.170 4.290 4.460 0.000 0.000 0.277 113 C C 2.747 177.505 174.990 -0.387 0.000 1.280 113 C CA 1.136 60.009 59.018 -0.240 0.000 1.744 113 C CB -1.366 26.314 27.740 -0.101 0.000 1.989 113 C HN 0.245 nan 8.230 nan 0.000 0.491 114 V N 0.843 120.526 119.914 -0.385 0.000 2.295 114 V HA -0.243 3.877 4.120 0.000 0.000 0.246 114 V C 2.491 178.471 176.094 -0.191 0.000 1.049 114 V CA 2.326 64.447 62.300 -0.297 0.000 1.024 114 V CB -0.794 30.881 31.823 -0.247 0.000 0.648 114 V HN 0.615 nan 8.190 nan 0.000 0.447 115 E N 0.208 120.312 120.200 -0.160 0.000 2.077 115 E HA -0.212 4.138 4.350 0.000 0.000 0.193 115 E C 2.310 178.717 176.600 -0.323 0.000 0.989 115 E CA 1.673 58.023 56.400 -0.084 0.000 0.800 115 E CB -0.101 29.568 29.700 -0.052 0.000 0.746 115 E HN 0.587 nan 8.360 nan 0.000 0.452 116 S N 0.265 115.517 115.700 -0.746 0.000 2.382 116 S HA -0.123 4.347 4.470 0.000 0.000 0.228 116 S C 1.978 176.086 174.600 -0.820 0.000 1.027 116 S CA 0.910 58.461 58.200 -1.081 0.000 0.991 116 S CB -0.148 61.821 63.200 -2.052 0.000 0.823 116 S HN 0.475 nan 8.310 nan 0.000 0.469 117 A N 0.994 123.486 122.820 -0.547 0.000 1.969 117 A HA 0.107 4.427 4.320 0.000 0.000 0.218 117 A C 1.974 179.463 177.584 -0.158 0.000 1.169 117 A CA 0.933 52.840 52.037 -0.217 0.000 0.635 117 A CB -0.477 18.467 19.000 -0.095 0.000 0.810 117 A HN 0.462 nan 8.150 nan 0.000 0.445 118 L N -0.401 120.783 121.223 -0.066 0.000 2.418 118 L HA 0.023 4.363 4.340 0.000 0.000 0.218 118 L C 0.179 177.159 176.870 0.183 0.000 1.125 118 L CA 0.332 55.262 54.840 0.150 0.000 0.835 118 L CB -0.039 42.188 42.059 0.280 0.000 0.953 118 L HN 0.144 nan 8.230 nan 0.000 0.454 119 T N -0.368 114.159 114.554 -0.044 0.000 2.762 119 T HA 0.130 4.480 4.350 0.000 0.000 0.303 119 T C -0.804 173.847 174.700 -0.082 0.000 0.977 119 T CA -0.248 61.814 62.100 -0.064 0.000 0.961 119 T CB 0.077 68.829 68.868 -0.194 0.000 0.944 119 T HN 0.086 nan 8.240 nan 0.000 0.481 120 W N 3.713 124.972 121.300 -0.068 0.000 1.828 120 W HA 0.518 5.178 4.660 0.000 0.000 0.369 120 W C 1.206 177.703 176.519 -0.036 0.000 0.764 120 W CA -0.106 57.220 57.345 -0.031 0.000 1.660 120 W CB -0.370 29.081 29.460 -0.014 0.000 1.843 120 W HN 1.155 nan 8.180 nan 0.000 0.286 121 G N 1.987 110.833 108.800 0.077 0.000 2.603 121 G HA2 -0.125 3.836 3.960 0.000 0.000 0.245 121 G HA3 -0.125 3.836 3.960 0.000 0.000 0.245 121 G C -0.664 174.240 174.900 0.006 0.000 1.195 121 G CA 0.215 45.344 45.100 0.049 0.000 0.953 121 G HN 0.483 nan 8.290 nan 0.000 0.566 122 D N -0.870 119.536 120.400 0.010 0.000 2.648 122 D HA 0.668 5.308 4.640 0.000 0.000 0.244 122 D C 0.704 176.995 176.300 -0.015 0.000 1.244 122 D CA 1.388 55.376 54.000 -0.021 0.000 0.772 122 D CB 0.917 41.702 40.800 -0.026 0.000 1.379 122 D HN 2.334 nan 8.370 nan 0.000 0.428 123 G N 0.725 109.505 108.800 -0.034 0.000 2.488 123 G HA2 -0.132 3.828 3.960 0.000 0.000 0.237 123 G HA3 -0.132 3.828 3.960 0.000 0.000 0.237 123 G C -0.906 173.978 174.900 -0.026 0.000 1.209 123 G CA -0.105 44.978 45.100 -0.027 0.000 0.929 123 G HN 0.824 nan 8.290 nan 0.000 0.578 124 D N 2.280 122.671 120.400 -0.016 0.000 2.443 124 D HA 0.392 5.032 4.640 0.000 0.000 0.239 124 D C 0.296 176.589 176.300 -0.011 0.000 1.136 124 D CA 1.304 55.296 54.000 -0.014 0.000 0.879 124 D CB 0.239 41.034 40.800 -0.009 0.000 1.195 124 D HN 0.585 nan 8.370 nan 0.000 0.443 125 D N 1.179 121.568 120.400 -0.018 0.000 2.927 125 D HA -0.198 4.442 4.640 0.000 0.000 0.236 125 D C 0.324 176.620 176.300 -0.006 0.000 1.163 125 D CA 0.308 54.294 54.000 -0.024 0.000 0.801 125 D CB -1.061 39.723 40.800 -0.026 0.000 0.975 125 D HN 0.343 nan 8.370 nan 0.000 0.413 126 N N -0.100 118.593 118.700 -0.011 0.000 2.236 126 N HA 0.216 4.956 4.740 0.000 0.000 0.196 126 N C 0.575 176.130 175.510 0.075 0.000 1.114 126 N CA 0.650 53.711 53.050 0.017 0.000 0.859 126 N CB 0.668 39.119 38.487 -0.059 0.000 0.982 126 N HN 0.421 nan 8.380 nan 0.000 0.493 127 G N -0.298 108.521 108.800 0.032 0.000 2.735 127 G HA2 0.519 4.479 3.960 0.000 0.000 0.301 127 G HA3 0.519 4.479 3.960 0.000 0.000 0.301 127 G C -2.871 171.928 174.900 -0.168 0.000 1.279 127 G CA -1.219 43.923 45.100 0.070 0.000 1.019 127 G HN -0.021 nan 8.290 nan 0.000 0.497 128 P HA 0.291 nan 4.420 nan 0.000 0.278 128 P C -0.502 176.630 177.300 -0.281 0.000 1.266 128 P CA -0.323 62.512 63.100 -0.441 0.000 0.807 128 P CB 2.176 33.846 31.700 -0.050 0.000 1.094 129 D N -0.417 119.821 120.400 -0.270 0.000 2.216 129 D HA 0.137 4.777 4.640 0.000 0.000 0.208 129 D C 0.741 177.006 176.300 -0.059 0.000 0.960 129 D CA 1.553 55.502 54.000 -0.085 0.000 0.861 129 D CB 0.284 41.140 40.800 0.093 0.000 0.985 129 D HN 0.372 nan 8.370 nan 0.000 0.493 130 M N 0.211 119.761 119.600 -0.084 0.000 2.531 130 M HA 0.443 4.924 4.480 0.000 0.000 0.286 130 M C -1.187 175.064 176.300 -0.083 0.000 1.232 130 M CA -0.576 54.681 55.300 -0.072 0.000 0.877 130 M CB 3.488 36.089 32.600 0.002 0.000 1.726 130 M HN -0.325 nan 8.290 nan 0.000 0.463 131 I N 1.352 121.863 120.570 -0.098 0.000 2.545 131 I HA 0.536 4.706 4.170 0.000 0.000 0.292 131 I C -1.005 175.068 176.117 -0.072 0.000 1.040 131 I CA -1.108 60.138 61.300 -0.090 0.000 1.068 131 I CB 2.421 40.364 38.000 -0.095 0.000 1.251 131 I HN 0.307 nan 8.210 nan 0.000 0.424 132 V N 4.509 124.341 119.914 -0.136 0.000 2.334 132 V HA 0.380 4.500 4.120 0.000 0.000 0.281 132 V C -0.605 175.384 176.094 -0.175 0.000 1.016 132 V CA -0.392 61.839 62.300 -0.114 0.000 0.832 132 V CB 1.370 33.135 31.823 -0.096 0.000 0.999 132 V HN 0.609 nan 8.190 nan 0.000 0.439 133 D N 2.759 123.119 120.400 -0.066 0.000 2.350 133 D HA 0.451 5.091 4.640 0.000 0.000 0.238 133 D C -1.096 175.196 176.300 -0.013 0.000 0.989 133 D CA -0.310 53.655 54.000 -0.059 0.000 0.921 133 D CB 2.454 43.255 40.800 0.003 0.000 1.297 133 D HN 0.550 nan 8.370 nan 0.000 0.490 134 D N 0.482 120.865 120.400 -0.028 0.000 2.364 134 D HA 0.400 5.040 4.640 0.000 0.000 0.251 134 D C 0.505 176.792 176.300 -0.022 0.000 1.282 134 D CA -0.222 53.772 54.000 -0.009 0.000 0.927 134 D CB 0.126 40.909 40.800 -0.029 0.000 1.267 134 D HN 0.618 nan 8.370 nan 0.000 0.531 135 G N 1.320 110.127 108.800 0.013 0.000 2.284 135 G HA2 -0.078 3.882 3.960 0.000 0.000 0.201 135 G HA3 -0.078 3.882 3.960 0.000 0.000 0.201 135 G C 1.039 176.030 174.900 0.152 0.000 0.998 135 G CA 0.348 45.472 45.100 0.042 0.000 0.651 135 G HN 1.366 nan 8.290 nan 0.000 0.489 136 G N -0.049 108.814 108.800 0.105 0.000 2.143 136 G HA2 -0.264 3.697 3.960 0.000 0.000 0.249 136 G HA3 -0.264 3.697 3.960 0.000 0.000 0.249 136 G C 0.714 175.697 174.900 0.139 0.000 0.981 136 G CA 1.152 46.318 45.100 0.111 0.000 0.665 136 G HN 0.617 nan 8.290 nan 0.000 0.528 137 D N 0.483 120.982 120.400 0.165 0.000 2.117 137 D HA 0.076 4.716 4.640 0.000 0.000 0.197 137 D C 2.682 179.114 176.300 0.219 0.000 0.987 137 D CA 1.816 55.947 54.000 0.219 0.000 0.829 137 D CB -0.488 40.419 40.800 0.178 0.000 0.961 137 D HN 0.701 nan 8.370 nan 0.000 0.460 138 A N -0.014 122.871 122.820 0.108 0.000 1.898 138 A HA -0.135 4.185 4.320 0.000 0.000 0.216 138 A C 2.342 180.009 177.584 0.138 0.000 1.181 138 A CA 1.982 54.069 52.037 0.084 0.000 0.620 138 A CB -0.831 18.167 19.000 -0.002 0.000 0.819 138 A HN 0.214 nan 8.150 nan 0.000 0.442 139 T N 0.181 114.841 114.554 0.176 0.000 2.788 139 T HA -0.128 4.222 4.350 0.000 0.000 0.268 139 T C 1.828 176.694 174.700 0.278 0.000 1.044 139 T CA 1.472 63.749 62.100 0.295 0.000 1.139 139 T CB -0.358 68.651 68.868 0.235 0.000 0.867 139 T HN 0.323 nan 8.240 nan 0.000 0.454 140 L N 1.177 122.500 121.223 0.165 0.000 1.994 140 L HA 0.025 4.365 4.340 0.000 0.000 0.208 140 L C 2.215 179.185 176.870 0.166 0.000 1.071 140 L CA 1.499 56.413 54.840 0.123 0.000 0.745 140 L CB -0.948 41.136 42.059 0.041 0.000 0.892 140 L HN 0.154 nan 8.230 nan 0.000 0.431 141 L N -1.021 120.301 121.223 0.165 0.000 2.043 141 L HA -0.205 4.135 4.340 0.000 0.000 0.212 141 L C 2.352 178.974 176.870 -0.413 0.000 1.075 141 L CA 2.063 56.873 54.840 -0.049 0.000 0.752 141 L CB -0.729 41.264 42.059 -0.110 0.000 0.891 141 L HN 0.178 nan 8.230 nan 0.000 0.432 142 V N -0.920 118.862 119.914 -0.220 0.000 2.307 142 V HA -0.311 3.809 4.120 0.000 0.000 0.245 142 V C 2.412 178.459 176.094 -0.077 0.000 1.045 142 V CA 2.081 64.285 62.300 -0.161 0.000 1.024 142 V CB -0.952 30.968 31.823 0.162 0.000 0.651 142 V HN 0.535 nan 8.190 nan 0.000 0.449 143 H N 0.026 119.092 119.070 -0.008 0.000 2.353 143 H HA -0.055 4.502 4.556 0.000 0.000 0.300 143 H C 2.332 177.651 175.328 -0.014 0.000 1.090 143 H CA 1.326 57.363 56.048 -0.019 0.000 1.327 143 H CB -0.037 29.694 29.762 -0.052 0.000 1.383 143 H HN 0.171 nan 8.280 nan 0.000 0.508 144 K N -0.041 120.432 120.400 0.122 0.000 2.097 144 K HA -0.006 4.315 4.320 0.000 0.000 0.205 144 K C 2.372 179.037 176.600 0.108 0.000 1.050 144 K CA 0.933 57.309 56.287 0.148 0.000 0.938 144 K CB -0.584 32.103 32.500 0.311 0.000 0.718 144 K HN 0.424 nan 8.250 nan 0.000 0.442 145 G N 0.922 109.644 108.800 -0.130 0.000 2.421 145 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 145 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 145 G C 1.661 176.648 174.900 0.144 0.000 1.171 145 G CA 0.792 45.793 45.100 -0.164 0.000 0.775 145 G HN 0.129 nan 8.290 nan 0.000 0.543 146 V N 0.527 120.510 119.914 0.115 0.000 2.427 146 V HA -0.133 3.987 4.120 0.000 0.000 0.248 146 V C 2.543 178.684 176.094 0.078 0.000 1.051 146 V CA 2.163 64.536 62.300 0.122 0.000 1.048 146 V CB -0.232 31.623 31.823 0.054 0.000 0.666 146 V HN 0.560 nan 8.190 nan 0.000 0.456 147 E N -0.611 119.611 120.200 0.036 0.000 2.047 147 E HA -0.224 4.126 4.350 0.000 0.000 0.191 147 E C 2.144 178.706 176.600 -0.063 0.000 0.987 147 E CA 1.594 57.964 56.400 -0.050 0.000 0.799 147 E CB -0.224 29.393 29.700 -0.140 0.000 0.752 147 E HN 0.715 nan 8.360 nan 0.000 0.449 148 Y N 0.727 121.043 120.300 0.027 0.000 2.373 148 Y HA -0.083 4.467 4.550 0.000 0.000 0.293 148 Y C 2.157 178.108 175.900 0.085 0.000 1.129 148 Y CA 1.116 59.238 58.100 0.036 0.000 1.226 148 Y CB 0.168 38.620 38.460 -0.013 0.000 1.000 148 Y HN 0.128 nan 8.280 nan 0.000 0.549 149 E N 0.189 120.533 120.200 0.239 0.000 2.150 149 E HA -0.223 4.127 4.350 0.000 0.000 0.193 149 E C 2.018 178.731 176.600 0.189 0.000 0.985 149 E CA 1.056 57.585 56.400 0.215 0.000 0.814 149 E CB -0.017 29.796 29.700 0.190 0.000 0.752 149 E HN 0.346 nan 8.360 nan 0.000 0.466 150 K N 0.709 121.184 120.400 0.124 0.000 2.103 150 K HA -0.080 4.240 4.320 0.000 0.000 0.204 150 K C 2.100 178.742 176.600 0.069 0.000 1.052 150 K CA 0.439 56.772 56.287 0.078 0.000 0.945 150 K CB 0.080 32.603 32.500 0.038 0.000 0.722 150 K HN 0.066 nan 8.250 nan 0.000 0.443 151 L N 0.859 122.130 121.223 0.080 0.000 2.141 151 L HA -0.167 4.173 4.340 0.000 0.000 0.209 151 L C 1.928 178.866 176.870 0.113 0.000 1.094 151 L CA 1.739 56.621 54.840 0.071 0.000 0.763 151 L CB -0.703 41.393 42.059 0.061 0.000 0.908 151 L HN 0.312 nan 8.230 nan 0.000 0.437 152 Y N 0.771 121.110 120.300 0.064 0.000 2.337 152 Y HA -0.146 4.404 4.550 0.000 0.000 0.293 152 Y C 2.497 178.417 175.900 0.034 0.000 1.123 152 Y CA 1.497 59.630 58.100 0.054 0.000 1.201 152 Y CB 0.022 38.520 38.460 0.062 0.000 1.011 152 Y HN 0.256 nan 8.280 nan 0.000 0.545 153 E N -0.071 120.133 120.200 0.006 0.000 2.511 153 E HA -0.109 4.241 4.350 0.000 0.000 0.196 153 E C 0.901 177.448 176.600 -0.088 0.000 1.066 153 E CA 0.736 57.100 56.400 -0.059 0.000 0.871 153 E CB 0.218 29.943 29.700 0.041 0.000 0.863 153 E HN 0.706 nan 8.360 nan 0.000 0.520 154 E N -0.786 119.364 120.200 -0.083 0.000 2.444 154 E HA 0.056 4.406 4.350 0.000 0.000 0.203 154 E C 1.178 177.730 176.600 -0.079 0.000 0.847 154 E CA -0.024 56.337 56.400 -0.065 0.000 1.142 154 E CB 0.505 30.187 29.700 -0.030 0.000 1.125 154 E HN -0.070 nan 8.360 nan 0.000 0.521 155 K N 0.565 120.919 120.400 -0.076 0.000 2.374 155 K HA 0.200 4.520 4.320 0.000 0.000 0.202 155 K C -0.067 176.474 176.600 -0.099 0.000 1.040 155 K CA -0.090 56.159 56.287 -0.063 0.000 1.085 155 K CB 0.503 32.992 32.500 -0.019 0.000 0.873 155 K HN -0.008 nan 8.250 nan 0.000 0.539 156 N N 1.072 119.636 118.700 -0.227 0.000 2.735 156 N HA -0.174 4.567 4.740 0.000 0.000 0.248 156 N C -1.120 174.365 175.510 -0.041 0.000 1.083 156 N CA 0.403 53.209 53.050 -0.406 0.000 0.703 156 N CB -1.219 37.090 38.487 -0.296 0.000 1.005 156 N HN 0.290 nan 8.380 nan 0.000 0.550 157 I N 0.615 121.246 120.570 0.101 0.000 2.392 157 I HA 0.334 4.504 4.170 0.000 0.000 0.295 157 I C 0.432 176.733 176.117 0.307 0.000 0.985 157 I CA -0.757 60.654 61.300 0.186 0.000 1.221 157 I CB 1.188 39.260 38.000 0.119 0.000 1.366 157 I HN -0.040 nan 8.210 nan 0.000 0.467 158 L N 7.106 128.457 121.223 0.214 0.000 2.334 158 L HA 0.509 4.850 4.340 0.000 0.000 0.272 158 L C -2.165 174.720 176.870 0.024 0.000 1.020 158 L CA -1.861 53.041 54.840 0.103 0.000 0.812 158 L CB 1.605 43.669 42.059 0.009 0.000 1.264 158 L HN 0.365 nan 8.230 nan 0.000 0.439 159 P HA 0.047 nan 4.420 nan 0.000 0.275 159 P C -1.478 175.707 177.300 -0.193 0.000 1.276 159 P CA -0.320 62.591 63.100 -0.316 0.000 0.782 159 P CB 0.302 31.383 31.700 -1.033 0.000 0.851 160 D N 5.182 125.536 120.400 -0.078 0.000 2.280 160 D HA 0.094 4.734 4.640 0.000 0.000 0.243 160 D C -1.820 174.446 176.300 -0.057 0.000 1.129 160 D CA -2.130 51.837 54.000 -0.056 0.000 0.848 160 D CB 1.383 42.175 40.800 -0.012 0.000 1.107 160 D HN 0.222 nan 8.370 nan 0.000 0.471 161 P HA -0.101 nan 4.420 nan 0.000 0.239 161 P C 0.653 177.942 177.300 -0.018 0.000 1.184 161 P CA 0.460 63.531 63.100 -0.049 0.000 0.760 161 P CB 0.505 32.173 31.700 -0.053 0.000 0.884 162 E N 1.915 122.108 120.200 -0.012 0.000 2.047 162 E HA -0.149 4.202 4.350 0.000 0.000 0.191 162 E C 1.506 178.110 176.600 0.006 0.000 0.987 162 E CA 1.099 57.499 56.400 -0.000 0.000 0.799 162 E CB -0.663 29.038 29.700 0.003 0.000 0.752 162 E HN 0.571 nan 8.360 nan 0.000 0.449 163 K N 1.345 121.750 120.400 0.009 0.000 2.743 163 K HA 0.317 4.637 4.320 0.000 0.000 0.219 163 K C 0.195 176.805 176.600 0.016 0.000 1.003 163 K CA 0.127 56.424 56.287 0.017 0.000 1.156 163 K CB -0.094 32.423 32.500 0.028 0.000 0.932 163 K HN -0.112 nan 8.250 nan 0.000 0.490 164 A N 2.048 124.875 122.820 0.011 0.000 2.438 164 A HA 0.073 4.393 4.320 0.000 0.000 0.280 164 A C 0.161 177.752 177.584 0.012 0.000 1.160 164 A CA -0.442 51.602 52.037 0.012 0.000 0.821 164 A CB 0.106 19.113 19.000 0.011 0.000 1.101 164 A HN 0.459 nan 8.150 nan 0.000 0.515 165 K N 1.381 121.786 120.400 0.009 0.000 2.522 165 K HA 0.061 4.381 4.320 0.000 0.000 0.194 165 K C 0.079 176.679 176.600 -0.001 0.000 1.026 165 K CA 0.312 56.602 56.287 0.005 0.000 1.119 165 K CB -0.121 32.380 32.500 0.001 0.000 0.856 165 K HN 0.770 nan 8.250 nan 0.000 0.513 166 N N -0.658 118.043 118.700 0.002 0.000 3.521 166 N HA -0.045 4.695 4.740 0.000 0.000 0.228 166 N C -0.145 175.374 175.510 0.016 0.000 1.328 166 N CA -0.320 52.730 53.050 -0.001 0.000 0.907 166 N CB 0.941 39.414 38.487 -0.024 0.000 1.487 166 N HN -0.245 nan 8.380 nan 0.000 0.503 167 E N 0.679 120.892 120.200 0.022 0.000 2.077 167 E HA -0.175 4.175 4.350 0.000 0.000 0.193 167 E C 0.763 177.408 176.600 0.075 0.000 0.989 167 E CA 1.136 57.562 56.400 0.044 0.000 0.800 167 E CB 0.106 29.830 29.700 0.041 0.000 0.746 167 E HN 0.705 nan 8.360 nan 0.000 0.452 168 E N 0.615 120.858 120.200 0.072 0.000 2.150 168 E HA -0.197 4.153 4.350 0.000 0.000 0.193 168 E C 1.869 178.596 176.600 0.211 0.000 0.985 168 E CA 0.883 57.384 56.400 0.168 0.000 0.814 168 E CB 0.011 29.762 29.700 0.085 0.000 0.752 168 E HN 0.321 nan 8.360 nan 0.000 0.466 169 E N 0.466 120.713 120.200 0.078 0.000 2.208 169 E HA -0.161 4.189 4.350 0.000 0.000 0.193 169 E C 2.275 178.907 176.600 0.054 0.000 0.988 169 E CA 0.322 56.746 56.400 0.041 0.000 0.828 169 E CB 0.008 29.704 29.700 -0.007 0.000 0.763 169 E HN 0.094 nan 8.360 nan 0.000 0.478 170 R N 0.025 120.554 120.500 0.048 0.000 2.073 170 R HA -0.133 4.207 4.340 0.000 0.000 0.234 170 R C 2.207 178.514 176.300 0.012 0.000 1.134 170 R CA 1.799 57.913 56.100 0.023 0.000 0.952 170 R CB -0.483 29.837 30.300 0.033 0.000 0.850 170 R HN 0.297 nan 8.270 nan 0.000 0.433 171 C N 0.305 119.651 119.300 0.078 0.000 2.435 171 C HA -0.070 4.391 4.460 0.000 0.000 0.279 171 C C 2.356 177.295 174.990 -0.084 0.000 1.321 171 C CA 0.223 59.301 59.018 0.101 0.000 1.752 171 C CB -1.263 26.666 27.740 0.315 0.000 1.959 171 C HN 0.563 nan 8.230 nan 0.000 0.500 172 F N 1.451 121.125 119.950 -0.460 0.000 2.113 172 F HA -0.046 4.481 4.527 0.000 0.000 0.297 172 F C 2.064 177.527 175.800 -0.561 0.000 1.103 172 F CA 1.530 58.961 58.000 -0.949 0.000 1.248 172 F CB -0.453 37.919 39.000 -1.046 0.000 0.999 172 F HN 0.088 nan 8.300 nan 0.000 0.475 173 L N -0.666 120.343 121.223 -0.358 0.000 2.141 173 L HA -0.182 4.158 4.340 0.000 0.000 0.209 173 L C 2.296 178.941 176.870 -0.376 0.000 1.094 173 L CA 1.539 56.125 54.840 -0.423 0.000 0.763 173 L CB -1.093 40.834 42.059 -0.219 0.000 0.908 173 L HN 0.130 nan 8.230 nan 0.000 0.437 174 T N 0.385 114.793 114.554 -0.244 0.000 2.708 174 T HA -0.213 4.137 4.350 0.000 0.000 0.266 174 T C 1.877 176.462 174.700 -0.190 0.000 1.037 174 T CA 1.481 63.481 62.100 -0.166 0.000 1.146 174 T CB -0.284 68.541 68.868 -0.072 0.000 0.865 174 T HN 0.184 nan 8.240 nan 0.000 0.435 175 L N 0.645 121.729 121.223 -0.231 0.000 2.042 175 L HA -0.006 4.334 4.340 0.000 0.000 0.210 175 L C 2.151 178.868 176.870 -0.255 0.000 1.076 175 L CA 1.580 56.305 54.840 -0.192 0.000 0.749 175 L CB -0.429 41.509 42.059 -0.201 0.000 0.893 175 L HN 0.240 nan 8.230 nan 0.000 0.432 176 L N -0.602 120.341 121.223 -0.466 0.000 2.109 176 L HA -0.184 4.157 4.340 0.000 0.000 0.207 176 L C 2.648 179.341 176.870 -0.296 0.000 1.086 176 L CA 1.403 55.985 54.840 -0.431 0.000 0.760 176 L CB -0.531 41.097 42.059 -0.718 0.000 0.910 176 L HN 0.332 nan 8.230 nan 0.000 0.437 177 K N 0.764 120.977 120.400 -0.312 0.000 2.026 177 K HA -0.187 4.133 4.320 0.000 0.000 0.208 177 K C 1.706 178.201 176.600 -0.175 0.000 1.048 177 K CA 1.909 58.051 56.287 -0.242 0.000 0.929 177 K CB -0.095 32.280 32.500 -0.208 0.000 0.713 177 K HN 0.390 nan 8.250 nan 0.000 0.439 178 N N 0.038 118.658 118.700 -0.133 0.000 2.223 178 N HA -0.147 4.593 4.740 0.000 0.000 0.185 178 N C 1.828 177.292 175.510 -0.077 0.000 1.016 178 N CA 0.973 53.971 53.050 -0.087 0.000 0.863 178 N CB -0.039 38.420 38.487 -0.047 0.000 0.983 178 N HN 0.162 nan 8.380 nan 0.000 0.429 179 S N 1.124 116.789 115.700 -0.060 0.000 2.356 179 S HA -0.030 4.440 4.470 0.000 0.000 0.223 179 S C 1.849 176.412 174.600 -0.062 0.000 1.032 179 S CA 0.788 58.980 58.200 -0.013 0.000 1.005 179 S CB -0.165 63.131 63.200 0.160 0.000 0.867 179 S HN 0.213 nan 8.310 nan 0.000 0.449 180 I N 1.178 121.692 120.570 -0.093 0.000 2.394 180 I HA -0.081 4.089 4.170 0.000 0.000 0.251 180 I C 1.837 177.806 176.117 -0.247 0.000 1.136 180 I CA 0.872 62.072 61.300 -0.166 0.000 1.425 180 I CB -0.244 37.615 38.000 -0.235 0.000 1.079 180 I HN 0.288 nan 8.210 nan 0.000 0.425 181 L N 0.589 121.678 121.223 -0.223 0.000 2.551 181 L HA -0.110 4.230 4.340 0.000 0.000 0.228 181 L C 2.348 179.151 176.870 -0.112 0.000 1.153 181 L CA 0.861 55.589 54.840 -0.188 0.000 0.851 181 L CB -0.337 41.636 42.059 -0.143 0.000 0.959 181 L HN 0.256 nan 8.230 nan 0.000 0.451 182 K N -0.096 120.243 120.400 -0.102 0.000 2.329 182 K HA 0.026 4.347 4.320 0.000 0.000 0.198 182 K C 0.305 176.856 176.600 -0.081 0.000 1.085 182 K CA 0.312 56.553 56.287 -0.077 0.000 0.961 182 K CB 0.642 33.099 32.500 -0.071 0.000 0.971 182 K HN 0.098 nan 8.250 nan 0.000 0.502 183 N N 0.531 119.170 118.700 -0.101 0.000 2.932 183 N HA 0.124 4.864 4.740 0.000 0.000 0.242 183 N C -2.651 172.804 175.510 -0.092 0.000 1.351 183 N CA -1.361 51.630 53.050 -0.097 0.000 0.785 183 N CB 1.837 40.243 38.487 -0.134 0.000 1.501 183 N HN -0.107 nan 8.380 nan 0.000 0.584 184 P HA -0.002 nan 4.420 nan 0.000 0.242 184 P C 0.027 177.353 177.300 0.043 0.000 1.198 184 P CA 0.650 63.752 63.100 0.004 0.000 0.756 184 P CB 0.344 32.094 31.700 0.084 0.000 0.911 185 K N -0.696 119.698 120.400 -0.009 0.000 2.520 185 K HA 0.126 4.446 4.320 0.000 0.000 0.206 185 K C 1.568 178.128 176.600 -0.066 0.000 1.122 185 K CA -0.183 56.103 56.287 -0.002 0.000 1.045 185 K CB 0.423 32.925 32.500 0.004 0.000 0.932 185 K HN 0.092 nan 8.250 nan 0.000 0.571 186 K N 0.525 120.816 120.400 -0.182 0.000 1.987 186 K HA -0.172 4.148 4.320 0.000 0.000 0.216 186 K C 1.285 177.657 176.600 -0.380 0.000 1.051 186 K CA 2.074 58.125 56.287 -0.393 0.000 0.942 186 K CB -0.119 31.959 32.500 -0.704 0.000 0.722 186 K HN 0.122 nan 8.250 nan 0.000 0.444 187 W N 0.600 121.897 121.300 -0.004 0.000 2.402 187 W HA -0.068 4.592 4.660 0.000 0.000 0.286 187 W C 2.352 178.879 176.519 0.013 0.000 1.221 187 W CA 0.891 58.240 57.345 0.008 0.000 1.257 187 W CB -0.474 28.990 29.460 0.008 0.000 1.120 187 W HN 0.148 nan 8.180 nan 0.000 0.551 188 T N 0.240 114.909 114.554 0.192 0.000 2.746 188 T HA -0.202 4.148 4.350 0.000 0.000 0.267 188 T C 1.259 176.007 174.700 0.080 0.000 1.039 188 T CA 1.797 63.969 62.100 0.121 0.000 1.142 188 T CB -0.493 68.427 68.868 0.087 0.000 0.866 188 T HN 0.288 nan 8.240 nan 0.000 0.444 189 N N 0.362 119.086 118.700 0.040 0.000 2.216 189 N HA 0.119 4.859 4.740 0.000 0.000 0.183 189 N C 1.821 177.346 175.510 0.025 0.000 1.017 189 N CA 0.612 53.672 53.050 0.015 0.000 0.861 189 N CB -0.088 38.386 38.487 -0.022 0.000 0.986 189 N HN 0.279 nan 8.380 nan 0.000 0.428 190 I N 1.242 121.833 120.570 0.035 0.000 2.163 190 I HA -0.221 3.949 4.170 0.000 0.000 0.240 190 I C 2.444 178.623 176.117 0.103 0.000 1.081 190 I CA 0.702 62.038 61.300 0.061 0.000 1.353 190 I CB -0.328 37.734 38.000 0.102 0.000 1.054 190 I HN 0.140 nan 8.210 nan 0.000 0.407 191 A N 0.621 123.544 122.820 0.172 0.000 2.032 191 A HA -0.246 4.074 4.320 0.000 0.000 0.221 191 A C 2.210 179.897 177.584 0.172 0.000 1.165 191 A CA 1.650 53.815 52.037 0.212 0.000 0.645 191 A CB -0.509 18.606 19.000 0.192 0.000 0.807 191 A HN 0.379 nan 8.150 nan 0.000 0.453 192 K N -0.780 119.682 120.400 0.104 0.000 2.288 192 K HA -0.035 4.285 4.320 0.000 0.000 0.201 192 K C 1.022 177.652 176.600 0.051 0.000 1.048 192 K CA 0.847 57.180 56.287 0.077 0.000 0.956 192 K CB 0.049 32.579 32.500 0.050 0.000 0.746 192 K HN 0.247 nan 8.250 nan 0.000 0.461 193 K N 0.491 120.906 120.400 0.025 0.000 2.353 193 K HA 0.192 4.512 4.320 0.000 0.000 0.195 193 K C 0.624 177.200 176.600 -0.040 0.000 1.031 193 K CA 0.083 56.364 56.287 -0.010 0.000 1.079 193 K CB 0.458 32.941 32.500 -0.028 0.000 0.857 193 K HN 0.113 nan 8.250 nan 0.000 0.535 194 I N 2.791 123.320 120.570 -0.067 0.000 2.505 194 I HA -0.062 4.108 4.170 0.000 0.000 0.287 194 I C 1.521 177.557 176.117 -0.136 0.000 1.104 194 I CA -0.192 60.981 61.300 -0.211 0.000 1.387 194 I CB 0.490 38.145 38.000 -0.574 0.000 1.404 194 I HN -0.123 nan 8.210 nan 0.000 0.528 195 I N 4.927 125.444 120.570 -0.088 0.000 2.252 195 I HA 0.031 4.202 4.170 0.000 0.000 0.245 195 I C 1.196 177.320 176.117 0.012 0.000 1.102 195 I CA 0.959 62.257 61.300 -0.003 0.000 1.385 195 I CB -1.270 36.758 38.000 0.046 0.000 1.064 195 I HN 0.760 nan 8.210 nan 0.000 0.414 196 G N -0.536 108.215 108.800 -0.083 0.000 2.322 196 G HA2 0.421 4.381 3.960 0.000 0.000 0.295 196 G HA3 0.421 4.381 3.960 0.000 0.000 0.295 196 G C -1.901 172.955 174.900 -0.073 0.000 1.369 196 G CA -0.162 44.934 45.100 -0.007 0.000 0.821 196 G HN -0.054 nan 8.290 nan 0.000 0.536 197 V N -0.274 119.685 119.914 0.075 0.000 3.007 197 V HA 0.897 5.017 4.120 0.000 0.000 0.311 197 V C -0.584 175.555 176.094 0.074 0.000 1.120 197 V CA 0.011 62.351 62.300 0.068 0.000 0.980 197 V CB 2.340 34.276 31.823 0.189 0.000 1.033 197 V HN 1.822 nan 8.190 nan 0.000 0.429 198 S N 3.634 119.364 115.700 0.051 0.000 2.659 198 S HA 0.645 5.115 4.470 0.000 0.000 0.312 198 S C -0.892 173.743 174.600 0.058 0.000 1.114 198 S CA -0.683 57.548 58.200 0.053 0.000 1.063 198 S CB 1.611 64.841 63.200 0.050 0.000 0.996 198 S HN 0.711 nan 8.310 nan 0.000 0.478 199 E N 1.590 121.826 120.200 0.060 0.000 2.227 199 E HA 0.254 4.604 4.350 0.000 0.000 0.282 199 E C 0.624 177.260 176.600 0.060 0.000 1.015 199 E CA -0.365 56.068 56.400 0.054 0.000 0.823 199 E CB 1.731 31.457 29.700 0.043 0.000 1.081 199 E HN 0.919 nan 8.360 nan 0.000 0.396 200 E N 2.118 122.359 120.200 0.068 0.000 2.140 200 E HA -0.004 4.346 4.350 0.000 0.000 0.191 200 E C 0.258 176.894 176.600 0.060 0.000 0.973 200 E CA 0.605 57.058 56.400 0.089 0.000 0.829 200 E CB 0.359 30.140 29.700 0.136 0.000 0.781 200 E HN 0.323 nan 8.360 nan 0.000 0.466 201 T N -1.310 113.265 114.554 0.035 0.000 2.940 201 T HA 0.233 4.584 4.350 0.000 0.000 0.288 201 T C 0.761 175.452 174.700 -0.015 0.000 1.033 201 T CA -0.084 62.021 62.100 0.009 0.000 1.033 201 T CB 1.511 70.376 68.868 -0.005 0.000 1.079 201 T HN 0.067 nan 8.240 nan 0.000 0.496 202 T N 2.012 116.547 114.554 -0.032 0.000 2.699 202 T HA -0.127 4.223 4.350 0.000 0.000 0.268 202 T C 2.007 176.668 174.700 -0.065 0.000 1.036 202 T CA 2.113 64.184 62.100 -0.048 0.000 1.147 202 T CB -0.480 68.353 68.868 -0.059 0.000 0.862 202 T HN 0.676 nan 8.240 nan 0.000 0.446 203 T N 0.997 115.497 114.554 -0.089 0.000 2.746 203 T HA -0.019 4.331 4.350 0.000 0.000 0.267 203 T C 2.275 176.959 174.700 -0.027 0.000 1.039 203 T CA 1.327 63.364 62.100 -0.105 0.000 1.142 203 T CB -0.796 67.970 68.868 -0.170 0.000 0.866 203 T HN 0.546 nan 8.240 nan 0.000 0.444 204 G N 0.739 109.533 108.800 -0.010 0.000 2.422 204 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 204 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 204 G C 1.676 176.579 174.900 0.005 0.000 1.146 204 G CA 0.775 45.889 45.100 0.024 0.000 0.769 204 G HN 0.442 nan 8.290 nan 0.000 0.547 205 V N 1.068 120.976 119.914 -0.009 0.000 2.427 205 V HA -0.071 4.049 4.120 0.000 0.000 0.248 205 V C 2.644 178.720 176.094 -0.029 0.000 1.051 205 V CA 1.099 63.390 62.300 -0.016 0.000 1.048 205 V CB -0.348 31.465 31.823 -0.016 0.000 0.666 205 V HN 0.319 nan 8.190 nan 0.000 0.456 206 L N 0.314 121.516 121.223 -0.035 0.000 2.046 206 L HA -0.174 4.166 4.340 0.000 0.000 0.208 206 L C 2.662 179.510 176.870 -0.038 0.000 1.077 206 L CA 2.027 56.841 54.840 -0.042 0.000 0.747 206 L CB -0.725 41.300 42.059 -0.057 0.000 0.896 206 L HN 0.310 nan 8.230 nan 0.000 0.432 207 R N -0.682 119.802 120.500 -0.025 0.000 2.081 207 R HA -0.142 4.198 4.340 0.000 0.000 0.235 207 R C 2.340 178.595 176.300 -0.075 0.000 1.131 207 R CA 1.199 57.278 56.100 -0.036 0.000 0.960 207 R CB -0.215 30.080 30.300 -0.008 0.000 0.856 207 R HN 0.370 nan 8.270 nan 0.000 0.436 208 L N 0.643 121.824 121.223 -0.070 0.000 2.056 208 L HA -0.189 4.151 4.340 0.000 0.000 0.207 208 L C 2.302 179.120 176.870 -0.088 0.000 1.078 208 L CA 1.475 56.258 54.840 -0.094 0.000 0.749 208 L CB -0.346 41.681 42.059 -0.054 0.000 0.901 208 L HN 0.141 nan 8.230 nan 0.000 0.433 209 K N 0.173 120.534 120.400 -0.065 0.000 2.057 209 K HA -0.186 4.134 4.320 0.000 0.000 0.207 209 K C 2.138 178.699 176.600 -0.064 0.000 1.049 209 K CA 1.325 57.576 56.287 -0.061 0.000 0.931 209 K CB -0.056 32.414 32.500 -0.050 0.000 0.714 209 K HN 0.262 nan 8.250 nan 0.000 0.440 210 K N 0.296 120.658 120.400 -0.064 0.000 2.097 210 K HA -0.044 4.276 4.320 0.000 0.000 0.205 210 K C 2.143 178.699 176.600 -0.074 0.000 1.050 210 K CA 1.219 57.470 56.287 -0.060 0.000 0.938 210 K CB -0.023 32.446 32.500 -0.053 0.000 0.718 210 K HN 0.153 nan 8.250 nan 0.000 0.442 211 M N 0.564 120.102 119.600 -0.103 0.000 2.156 211 M HA -0.156 4.325 4.480 0.000 0.000 0.264 211 M C 1.833 178.074 176.300 -0.098 0.000 1.067 211 M CA 1.419 56.644 55.300 -0.126 0.000 1.131 211 M CB -0.272 32.190 32.600 -0.230 0.000 1.368 211 M HN 0.057 nan 8.290 nan 0.000 0.416 212 D N 0.624 120.967 120.400 -0.095 0.000 2.178 212 D HA -0.163 4.477 4.640 0.000 0.000 0.202 212 D C 1.885 178.150 176.300 -0.059 0.000 0.974 212 D CA 1.226 55.181 54.000 -0.075 0.000 0.841 212 D CB 0.030 40.782 40.800 -0.079 0.000 0.953 212 D HN 0.174 nan 8.370 nan 0.000 0.478 213 K N -0.353 120.013 120.400 -0.057 0.000 2.097 213 K HA -0.067 4.254 4.320 0.000 0.000 0.205 213 K C 1.466 178.043 176.600 -0.039 0.000 1.050 213 K CA 0.941 57.201 56.287 -0.046 0.000 0.938 213 K CB 0.096 32.570 32.500 -0.043 0.000 0.718 213 K HN 0.213 nan 8.250 nan 0.000 0.442 214 Q N 0.488 120.262 119.800 -0.042 0.000 2.222 214 Q HA 0.105 4.445 4.340 0.000 0.000 0.206 214 Q C -0.743 175.238 176.000 -0.031 0.000 0.877 214 Q CA -0.259 55.523 55.803 -0.035 0.000 0.958 214 Q CB 0.518 29.233 28.738 -0.037 0.000 1.075 214 Q HN 0.282 nan 8.270 nan 0.000 0.483 215 N N 1.606 120.287 118.700 -0.033 0.000 2.714 215 N HA -0.202 4.538 4.740 0.000 0.000 0.253 215 N C -0.295 175.203 175.510 -0.020 0.000 1.024 215 N CA 0.953 53.988 53.050 -0.025 0.000 0.726 215 N CB -0.733 37.744 38.487 -0.016 0.000 0.908 215 N HN 0.564 nan 8.380 nan 0.000 0.542 216 E N -0.313 119.870 120.200 -0.028 0.000 2.473 216 E HA 0.184 4.534 4.350 0.000 0.000 0.204 216 E C 0.519 177.141 176.600 0.037 0.000 0.994 216 E CA -0.206 56.192 56.400 -0.002 0.000 0.945 216 E CB 0.524 30.212 29.700 -0.020 0.000 0.990 216 E HN 0.355 nan 8.360 nan 0.000 0.493 217 L N 2.092 123.302 121.223 -0.022 0.000 2.513 217 L HA -0.007 4.333 4.340 0.000 0.000 0.272 217 L C 1.072 177.923 176.870 -0.032 0.000 1.187 217 L CA 0.149 54.979 54.840 -0.015 0.000 0.895 217 L CB 0.568 42.583 42.059 -0.074 0.000 1.147 217 L HN 0.183 nan 8.230 nan 0.000 0.483 218 L N 4.821 125.940 121.223 -0.173 0.000 2.477 218 L HA 0.137 4.477 4.340 0.000 0.000 0.220 218 L C -0.132 176.691 176.870 -0.079 0.000 1.106 218 L CA 0.181 54.876 54.840 -0.242 0.000 0.851 218 L CB -0.085 41.730 42.059 -0.407 0.000 0.994 218 L HN 0.503 nan 8.230 nan 0.000 0.462 219 F N -4.377 115.648 119.950 0.124 0.000 2.741 219 F HA 0.470 4.997 4.527 0.000 0.000 0.313 219 F C -0.054 175.819 175.800 0.121 0.000 1.153 219 F CA -1.509 56.553 58.000 0.104 0.000 0.931 219 F CB -0.005 39.042 39.000 0.079 0.000 1.335 219 F HN -0.435 nan 8.300 nan 0.000 0.460 220 T N 1.449 116.244 114.554 0.401 0.000 2.946 220 T HA 0.508 4.858 4.350 0.000 0.000 0.311 220 T C -0.142 174.730 174.700 0.286 0.000 1.063 220 T CA 0.694 62.964 62.100 0.284 0.000 1.139 220 T CB 0.463 69.408 68.868 0.130 0.000 0.994 220 T HN 0.952 nan 8.240 nan 0.000 0.547 221 A N 3.317 126.260 122.820 0.206 0.000 2.359 221 A HA 0.699 5.019 4.320 0.000 0.000 0.303 221 A C -0.526 177.116 177.584 0.096 0.000 1.066 221 A CA -0.756 51.374 52.037 0.155 0.000 0.730 221 A CB 0.912 19.986 19.000 0.124 0.000 1.211 221 A HN 0.825 nan 8.150 nan 0.000 0.439 222 I N 2.390 122.988 120.570 0.046 0.000 2.336 222 I HA 0.208 4.378 4.170 0.000 0.000 0.292 222 I C -0.039 176.107 176.117 0.048 0.000 0.991 222 I CA -0.743 60.574 61.300 0.028 0.000 1.227 222 I CB 1.681 39.664 38.000 -0.028 0.000 1.366 222 I HN 0.671 nan 8.210 nan 0.000 0.466 223 N N 6.328 125.059 118.700 0.053 0.000 2.555 223 N HA 0.105 4.845 4.740 0.000 0.000 0.244 223 N C 0.527 176.062 175.510 0.042 0.000 1.114 223 N CA 0.011 53.084 53.050 0.039 0.000 0.963 223 N CB 1.038 39.541 38.487 0.026 0.000 1.276 223 N HN 0.410 nan 8.380 nan 0.000 0.510 224 V N 2.775 122.718 119.914 0.048 0.000 2.591 224 V HA -0.114 4.006 4.120 0.000 0.000 0.249 224 V C 2.313 178.429 176.094 0.037 0.000 1.053 224 V CA 0.992 63.325 62.300 0.056 0.000 1.068 224 V CB -0.619 31.254 31.823 0.082 0.000 0.689 224 V HN 0.711 nan 8.190 nan 0.000 0.462 225 N N 0.687 119.403 118.700 0.028 0.000 2.223 225 N HA -0.188 4.552 4.740 0.000 0.000 0.185 225 N C 1.041 176.541 175.510 -0.017 0.000 1.016 225 N CA 1.519 54.573 53.050 0.007 0.000 0.863 225 N CB -0.012 38.477 38.487 0.004 0.000 0.983 225 N HN 0.417 nan 8.380 nan 0.000 0.429 226 D N 0.474 120.868 120.400 -0.011 0.000 2.336 226 D HA 0.135 4.775 4.640 0.000 0.000 0.229 226 D C 0.044 176.326 176.300 -0.031 0.000 1.061 226 D CA 0.015 54.002 54.000 -0.021 0.000 0.875 226 D CB 0.058 40.853 40.800 -0.008 0.000 0.904 226 D HN 0.282 nan 8.370 nan 0.000 0.525 227 A N 0.186 122.985 122.820 -0.035 0.000 2.440 227 A HA 0.193 4.513 4.320 0.000 0.000 0.251 227 A C 1.709 179.207 177.584 -0.143 0.000 1.089 227 A CA -0.423 51.579 52.037 -0.058 0.000 0.779 227 A CB 0.668 19.650 19.000 -0.030 0.000 1.022 227 A HN 0.019 nan 8.150 nan 0.000 0.492 228 V N 2.533 122.331 119.914 -0.193 0.000 2.252 228 V HA -0.267 3.853 4.120 0.000 0.000 0.249 228 V C 2.667 178.408 176.094 -0.587 0.000 1.056 228 V CA 2.777 64.860 62.300 -0.361 0.000 1.022 228 V CB -1.455 30.071 31.823 -0.496 0.000 0.641 228 V HN 1.083 nan 8.190 nan 0.000 0.445 229 T N -2.732 111.476 114.554 -0.576 0.000 3.228 229 T HA -0.076 4.275 4.350 0.000 0.000 0.261 229 T C 1.422 175.831 174.700 -0.485 0.000 1.171 229 T CA 1.009 62.616 62.100 -0.821 0.000 1.056 229 T CB 0.027 68.723 68.868 -0.287 0.000 0.938 229 T HN 0.392 nan 8.240 nan 0.000 0.539 230 K N 1.218 121.424 120.400 -0.323 0.000 2.431 230 K HA 0.070 4.390 4.320 0.000 0.000 0.213 230 K C 2.401 178.912 176.600 -0.149 0.000 1.258 230 K CA 0.930 57.136 56.287 -0.136 0.000 0.845 230 K CB -0.260 32.213 32.500 -0.045 0.000 1.498 230 K HN 0.538 nan 8.250 nan 0.000 0.451 231 Q N 0.578 120.283 119.800 -0.160 0.000 2.170 231 Q HA -0.066 4.274 4.340 0.000 0.000 0.203 231 Q C 1.384 177.269 176.000 -0.191 0.000 0.976 231 Q CA 1.161 56.881 55.803 -0.139 0.000 0.858 231 Q CB 0.003 28.673 28.738 -0.113 0.000 0.907 231 Q HN -0.056 nan 8.270 nan 0.000 0.433 232 K N -0.309 119.925 120.400 -0.277 0.000 2.365 232 K HA 0.037 4.357 4.320 0.000 0.000 0.197 232 K C 1.414 177.906 176.600 -0.180 0.000 1.042 232 K CA 0.863 56.991 56.287 -0.266 0.000 0.987 232 K CB 0.154 32.472 32.500 -0.303 0.000 0.779 232 K HN 0.514 nan 8.250 nan 0.000 0.484 233 Y N -0.227 119.872 120.300 -0.334 0.000 2.439 233 Y HA -0.038 4.512 4.550 0.000 0.000 0.281 233 Y C 2.327 178.093 175.900 -0.223 0.000 1.145 233 Y CA -0.320 57.609 58.100 -0.285 0.000 1.252 233 Y CB 0.034 38.229 38.460 -0.442 0.000 1.271 233 Y HN -0.001 nan 8.280 nan 0.000 0.516 234 D N 1.172 121.590 120.400 0.029 0.000 2.095 234 D HA -0.214 4.426 4.640 0.000 0.000 0.192 234 D C 1.176 177.435 176.300 -0.068 0.000 0.990 234 D CA 1.717 55.724 54.000 0.011 0.000 0.836 234 D CB -0.467 40.379 40.800 0.076 0.000 0.979 234 D HN 0.374 nan 8.370 nan 0.000 0.447 235 N N -0.434 118.236 118.700 -0.051 0.000 2.272 235 N HA -0.125 4.615 4.740 0.000 0.000 0.185 235 N C 1.881 177.302 175.510 -0.148 0.000 1.014 235 N CA 0.704 53.720 53.050 -0.056 0.000 0.870 235 N CB 0.444 38.889 38.487 -0.071 0.000 0.975 235 N HN 0.143 nan 8.380 nan 0.000 0.433 236 V N 0.049 119.799 119.914 -0.274 0.000 2.502 236 V HA -0.096 4.024 4.120 0.000 0.000 0.234 236 V C 1.519 177.427 176.094 -0.309 0.000 1.072 236 V CA 0.935 63.009 62.300 -0.376 0.000 1.094 236 V CB -0.866 30.565 31.823 -0.654 0.000 0.761 236 V HN 0.181 nan 8.190 nan 0.000 0.489 237 Y N 1.484 121.728 120.300 -0.094 0.000 2.293 237 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 237 Y C 2.542 178.341 175.900 -0.168 0.000 1.137 237 Y CA 0.881 58.919 58.100 -0.104 0.000 1.202 237 Y CB -0.715 37.681 38.460 -0.107 0.000 0.990 237 Y HN 0.344 nan 8.280 nan 0.000 0.537 238 G N -0.699 107.950 108.800 -0.252 0.000 2.404 238 G HA2 -0.235 3.725 3.960 0.000 0.000 0.215 238 G HA3 -0.235 3.725 3.960 0.000 0.000 0.215 238 G C 1.535 176.132 174.900 -0.506 0.000 1.174 238 G CA 1.231 45.858 45.100 -0.789 0.000 0.780 238 G HN 0.448 nan 8.290 nan 0.000 0.537 239 C N -0.032 119.123 119.300 -0.243 0.000 2.446 239 C HA 0.141 4.601 4.460 0.000 0.000 0.279 239 C C 2.760 177.764 174.990 0.024 0.000 1.366 239 C CA 0.517 59.550 59.018 0.026 0.000 1.763 239 C CB -0.786 26.978 27.740 0.040 0.000 1.929 239 C HN 0.553 nan 8.230 nan 0.000 0.509 240 R N 0.236 120.743 120.500 0.011 0.000 2.120 240 R HA -0.192 4.148 4.340 0.000 0.000 0.234 240 R C 2.027 178.366 176.300 0.065 0.000 1.123 240 R CA 2.006 58.133 56.100 0.044 0.000 0.975 240 R CB -0.407 29.947 30.300 0.090 0.000 0.866 240 R HN 0.755 nan 8.270 nan 0.000 0.446 241 H N -0.414 118.651 119.070 -0.008 0.000 2.320 241 H HA 0.048 4.604 4.556 0.000 0.000 0.309 241 H C 2.056 177.403 175.328 0.032 0.000 1.057 241 H CA 1.967 58.020 56.048 0.009 0.000 1.374 241 H CB 0.042 29.811 29.762 0.011 0.000 1.421 241 H HN 0.277 nan 8.280 nan 0.000 0.532 242 S N 0.385 116.229 115.700 0.241 0.000 2.522 242 S HA -0.077 4.393 4.470 0.000 0.000 0.227 242 S C 2.020 176.659 174.600 0.066 0.000 0.986 242 S CA 0.770 59.083 58.200 0.189 0.000 0.929 242 S CB -0.290 63.101 63.200 0.317 0.000 0.769 242 S HN 0.394 nan 8.310 nan 0.000 0.529 243 L N 3.381 124.626 121.223 0.036 0.000 2.007 243 L HA 0.141 4.481 4.340 0.000 0.000 0.205 243 L C -0.864 175.977 176.870 -0.049 0.000 1.073 243 L CA 1.661 56.500 54.840 -0.003 0.000 0.744 243 L CB -1.304 40.746 42.059 -0.015 0.000 0.898 243 L HN 0.100 nan 8.230 nan 0.000 0.435 244 P HA -0.185 nan 4.420 nan 0.000 0.217 244 P C 0.959 178.200 177.300 -0.098 0.000 1.150 244 P CA 1.718 64.751 63.100 -0.112 0.000 0.832 244 P CB -0.067 31.560 31.700 -0.121 0.000 0.787 245 D N 0.403 120.736 120.400 -0.112 0.000 2.104 245 D HA -0.131 4.509 4.640 0.000 0.000 0.194 245 D C 2.358 178.636 176.300 -0.036 0.000 0.994 245 D CA 1.960 55.906 54.000 -0.090 0.000 0.830 245 D CB -1.061 39.672 40.800 -0.112 0.000 0.959 245 D HN 0.095 nan 8.370 nan 0.000 0.452 246 G N -0.091 108.698 108.800 -0.019 0.000 2.422 246 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 246 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 246 G C 1.547 176.436 174.900 -0.019 0.000 1.146 246 G CA 0.559 45.654 45.100 -0.008 0.000 0.769 246 G HN 0.277 nan 8.290 nan 0.000 0.547 247 L N 0.307 121.513 121.223 -0.028 0.000 2.056 247 L HA 0.132 4.472 4.340 0.000 0.000 0.207 247 L C 3.009 179.864 176.870 -0.024 0.000 1.078 247 L CA 1.331 56.161 54.840 -0.018 0.000 0.749 247 L CB -0.563 41.456 42.059 -0.065 0.000 0.901 247 L HN 0.235 nan 8.230 nan 0.000 0.433 248 M N -1.627 117.953 119.600 -0.033 0.000 2.132 248 M HA -0.169 4.311 4.480 0.000 0.000 0.263 248 M C 2.318 178.604 176.300 -0.023 0.000 1.065 248 M CA 1.422 56.711 55.300 -0.019 0.000 1.122 248 M CB -0.323 32.264 32.600 -0.021 0.000 1.365 248 M HN 0.130 nan 8.290 nan 0.000 0.411 249 R N 0.192 120.678 120.500 -0.024 0.000 2.090 249 R HA -0.005 4.335 4.340 0.000 0.000 0.228 249 R C 2.347 178.622 176.300 -0.041 0.000 1.110 249 R CA 1.361 57.450 56.100 -0.019 0.000 0.973 249 R CB -0.450 29.848 30.300 -0.003 0.000 0.869 249 R HN 0.345 nan 8.270 nan 0.000 0.440 250 A N 0.547 123.332 122.820 -0.058 0.000 1.929 250 A HA -0.127 4.193 4.320 0.000 0.000 0.216 250 A C 2.109 179.594 177.584 -0.165 0.000 1.176 250 A CA 1.943 53.926 52.037 -0.090 0.000 0.628 250 A CB -0.274 18.681 19.000 -0.076 0.000 0.816 250 A HN 0.476 nan 8.150 nan 0.000 0.444 251 T N -6.851 107.563 114.554 -0.232 0.000 2.964 251 T HA 0.176 4.526 4.350 0.000 0.000 0.250 251 T C 0.372 174.861 174.700 -0.351 0.000 0.982 251 T CA 0.852 62.640 62.100 -0.520 0.000 0.959 251 T CB 0.260 68.516 68.868 -1.019 0.000 1.141 251 T HN 0.298 nan 8.240 nan 0.000 0.494 252 D N 0.931 121.272 120.400 -0.097 0.000 3.076 252 D HA -0.113 4.527 4.640 0.000 0.000 0.218 252 D C -0.767 175.692 176.300 0.265 0.000 1.156 252 D CA 0.563 54.604 54.000 0.068 0.000 0.921 252 D CB -1.430 39.416 40.800 0.077 0.000 1.113 252 D HN 0.362 nan 8.370 nan 0.000 0.418 253 F N 0.306 120.326 119.950 0.116 0.000 2.406 253 F HA 0.330 4.858 4.527 0.000 0.000 0.327 253 F C 1.138 177.030 175.800 0.153 0.000 1.153 253 F CA -1.084 57.009 58.000 0.155 0.000 1.218 253 F CB 0.116 39.270 39.000 0.255 0.000 1.215 253 F HN -0.136 nan 8.300 nan 0.000 0.570 254 L N 2.597 124.009 121.223 0.315 0.000 2.426 254 L HA 0.224 4.564 4.340 0.000 0.000 0.271 254 L C 0.415 177.410 176.870 0.209 0.000 1.169 254 L CA 0.567 55.515 54.840 0.180 0.000 0.836 254 L CB 0.182 42.303 42.059 0.102 0.000 1.112 254 L HN 0.613 nan 8.230 nan 0.000 0.465 255 I N 0.892 121.502 120.570 0.066 0.000 3.445 255 I HA 0.080 4.250 4.170 0.000 0.000 0.288 255 I C 0.764 176.880 176.117 -0.001 0.000 1.198 255 I CA 0.038 61.307 61.300 -0.053 0.000 1.417 255 I CB 0.114 37.989 38.000 -0.207 0.000 1.205 255 I HN 0.582 nan 8.210 nan 0.000 0.448 256 S N 1.328 117.035 115.700 0.013 0.000 2.552 256 S HA 0.233 4.703 4.470 0.000 0.000 0.289 256 S C 1.208 175.832 174.600 0.040 0.000 1.304 256 S CA 0.680 58.892 58.200 0.020 0.000 1.063 256 S CB 0.644 63.855 63.200 0.018 0.000 0.848 256 S HN 0.687 nan 8.310 nan 0.000 0.499 257 G N 2.019 110.844 108.800 0.041 0.000 2.184 257 G HA2 -0.240 3.721 3.960 0.000 0.000 0.264 257 G HA3 -0.240 3.721 3.960 0.000 0.000 0.264 257 G C 0.034 174.973 174.900 0.065 0.000 0.975 257 G CA 0.164 45.292 45.100 0.047 0.000 0.642 257 G HN 0.532 nan 8.290 nan 0.000 0.536 258 K N 0.140 120.595 120.400 0.092 0.000 2.087 258 K HA 0.586 4.906 4.320 0.000 0.000 0.255 258 K C 0.630 177.306 176.600 0.126 0.000 0.988 258 K CA -0.808 55.562 56.287 0.140 0.000 0.915 258 K CB 1.198 33.888 32.500 0.315 0.000 1.043 258 K HN 0.257 nan 8.250 nan 0.000 0.457 259 I N 2.288 122.916 120.570 0.096 0.000 2.337 259 I HA 0.065 4.235 4.170 0.000 0.000 0.291 259 I C -0.272 175.865 176.117 0.033 0.000 1.046 259 I CA -0.619 60.712 61.300 0.051 0.000 1.324 259 I CB 0.830 38.778 38.000 -0.086 0.000 1.409 259 I HN -0.028 nan 8.210 nan 0.000 0.494 260 V N 7.779 127.724 119.914 0.051 0.000 2.417 260 V HA 0.330 4.450 4.120 0.000 0.000 0.291 260 V C 0.017 176.075 176.094 -0.061 0.000 1.024 260 V CA -0.668 61.628 62.300 -0.007 0.000 0.861 260 V CB 1.930 33.719 31.823 -0.058 0.000 0.985 260 V HN 0.354 nan 8.190 nan 0.000 0.436 261 V N 6.155 125.963 119.914 -0.178 0.000 2.347 261 V HA 0.477 4.597 4.120 0.000 0.000 0.280 261 V C -0.241 175.844 176.094 -0.016 0.000 1.021 261 V CA -0.478 61.757 62.300 -0.108 0.000 0.847 261 V CB 1.533 33.225 31.823 -0.218 0.000 0.990 261 V HN 0.578 nan 8.190 nan 0.000 0.444 262 I N 3.933 124.504 120.570 0.002 0.000 2.362 262 I HA 0.350 4.521 4.170 0.000 0.000 0.289 262 I C -0.017 176.135 176.117 0.058 0.000 0.994 262 I CA -0.235 61.078 61.300 0.022 0.000 1.158 262 I CB 1.401 39.392 38.000 -0.015 0.000 1.315 262 I HN 0.543 nan 8.210 nan 0.000 0.451 263 C N 4.860 124.205 119.300 0.075 0.000 2.265 263 C HA 0.773 5.233 4.460 0.000 0.000 0.332 263 C C 0.819 175.854 174.990 0.075 0.000 1.248 263 C CA -0.301 58.761 59.018 0.074 0.000 1.727 263 C CB -0.130 27.653 27.740 0.071 0.000 2.348 263 C HN 1.076 nan 8.230 nan 0.000 0.519 264 G N 2.568 111.422 108.800 0.090 0.000 3.055 264 G HA2 -0.090 3.870 3.960 0.000 0.000 0.686 264 G HA3 -0.090 3.870 3.960 0.000 0.000 0.686 264 G C -1.180 173.815 174.900 0.158 0.000 1.087 264 G CA -0.656 44.502 45.100 0.096 0.000 0.779 264 G HN 0.872 nan 8.290 nan 0.000 0.599 265 Y N 2.981 123.287 120.300 0.009 0.000 2.516 265 Y HA 0.543 5.093 4.550 0.001 0.000 0.341 265 Y C 1.053 176.959 175.900 0.009 0.000 0.912 265 Y CA 0.308 58.417 58.100 0.014 0.000 1.167 265 Y CB 0.125 38.607 38.460 0.037 0.000 1.195 265 Y HN 0.923 nan 8.280 nan 0.000 0.610 266 G N 0.161 108.905 108.800 -0.094 0.000 2.773 266 G HA2 0.050 4.010 3.960 0.000 0.000 0.186 266 G HA3 0.050 4.010 3.960 0.000 0.000 0.186 266 G C 0.517 175.289 174.900 -0.214 0.000 1.411 266 G CA -0.020 45.007 45.100 -0.121 0.000 1.054 266 G HN 0.247 nan 8.290 nan 0.000 0.579 267 D N -0.761 119.544 120.400 -0.158 0.000 2.104 267 D HA -0.137 4.503 4.640 0.000 0.000 0.194 267 D C 2.731 178.925 176.300 -0.175 0.000 0.994 267 D CA 1.168 55.063 54.000 -0.176 0.000 0.830 267 D CB -0.290 40.428 40.800 -0.136 0.000 0.959 267 D HN 0.039 nan 8.370 nan 0.000 0.452 268 V N 1.131 120.973 119.914 -0.120 0.000 2.358 268 V HA -0.132 3.988 4.120 0.000 0.000 0.246 268 V C 2.606 178.640 176.094 -0.099 0.000 1.047 268 V CA 1.955 64.206 62.300 -0.083 0.000 1.035 268 V CB -0.966 30.836 31.823 -0.035 0.000 0.658 268 V HN 0.224 nan 8.190 nan 0.000 0.452 269 G N -0.249 108.481 108.800 -0.117 0.000 2.440 269 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 269 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 269 G C 1.666 176.437 174.900 -0.216 0.000 1.154 269 G CA 0.863 45.904 45.100 -0.099 0.000 0.767 269 G HN 0.464 nan 8.290 nan 0.000 0.552 270 K N 0.103 120.216 120.400 -0.478 0.000 2.057 270 K HA -0.049 4.271 4.320 0.000 0.000 0.207 270 K C 2.756 179.260 176.600 -0.159 0.000 1.049 270 K CA 0.977 56.955 56.287 -0.514 0.000 0.931 270 K CB -0.351 31.827 32.500 -0.536 0.000 0.714 270 K HN 0.288 nan 8.250 nan 0.000 0.440 271 G N 0.862 109.573 108.800 -0.149 0.000 2.404 271 G HA2 -0.232 3.729 3.960 0.000 0.000 0.215 271 G HA3 -0.232 3.729 3.960 0.000 0.000 0.215 271 G C 1.649 176.533 174.900 -0.027 0.000 1.174 271 G CA 0.803 45.854 45.100 -0.081 0.000 0.780 271 G HN 0.299 nan 8.290 nan 0.000 0.537 272 C N 1.004 120.281 119.300 -0.037 0.000 2.432 272 C HA 0.125 4.585 4.460 0.000 0.000 0.277 272 C C 3.558 178.529 174.990 -0.031 0.000 1.249 272 C CA 0.991 59.992 59.018 -0.028 0.000 1.725 272 C CB -0.959 26.763 27.740 -0.029 0.000 2.028 272 C HN 0.558 nan 8.230 nan 0.000 0.477 273 A N 1.259 124.067 122.820 -0.020 0.000 1.933 273 A HA -0.172 4.149 4.320 0.000 0.000 0.218 273 A C 2.299 179.940 177.584 0.095 0.000 1.175 273 A CA 2.412 54.406 52.037 -0.071 0.000 0.628 273 A CB -0.887 18.072 19.000 -0.068 0.000 0.814 273 A HN 0.733 nan 8.150 nan 0.000 0.444 274 S N 0.665 116.463 115.700 0.163 0.000 2.368 274 S HA -0.211 4.259 4.470 0.000 0.000 0.225 274 S C 2.177 176.841 174.600 0.106 0.000 1.030 274 S CA 1.988 60.296 58.200 0.181 0.000 0.999 274 S CB -1.002 62.281 63.200 0.138 0.000 0.844 274 S HN 0.978 nan 8.310 nan 0.000 0.459 275 S N 2.019 117.750 115.700 0.052 0.000 2.371 275 S HA 0.018 4.488 4.470 0.000 0.000 0.224 275 S C 2.061 176.657 174.600 -0.007 0.000 1.029 275 S CA 1.137 59.347 58.200 0.017 0.000 0.978 275 S CB -0.629 62.567 63.200 -0.007 0.000 0.833 275 S HN 0.370 nan 8.310 nan 0.000 0.466 276 M N 1.848 121.430 119.600 -0.030 0.000 2.159 276 M HA 0.038 4.518 4.480 0.000 0.000 0.263 276 M C 2.309 178.606 176.300 -0.006 0.000 1.063 276 M CA 1.512 56.774 55.300 -0.064 0.000 1.110 276 M CB -1.162 31.365 32.600 -0.121 0.000 1.374 276 M HN 0.511 nan 8.290 nan 0.000 0.411 277 K N 0.146 120.589 120.400 0.071 0.000 2.057 277 K HA -0.090 4.230 4.320 0.000 0.000 0.206 277 K C 2.006 178.657 176.600 0.085 0.000 1.050 277 K CA 1.539 57.916 56.287 0.150 0.000 0.935 277 K CB -0.334 32.360 32.500 0.323 0.000 0.715 277 K HN 0.358 nan 8.250 nan 0.000 0.439 278 G N 1.141 109.979 108.800 0.064 0.000 2.448 278 G HA2 -0.187 3.774 3.960 0.000 0.000 0.219 278 G HA3 -0.187 3.774 3.960 0.000 0.000 0.219 278 G C 1.391 176.301 174.900 0.017 0.000 1.127 278 G CA 0.498 45.620 45.100 0.037 0.000 0.766 278 G HN 0.231 nan 8.290 nan 0.000 0.552 279 L N -0.267 120.959 121.223 0.004 0.000 2.418 279 L HA 0.241 4.581 4.340 0.000 0.000 0.218 279 L C 1.970 178.840 176.870 0.001 0.000 1.125 279 L CA 0.627 55.461 54.840 -0.009 0.000 0.835 279 L CB 0.069 42.106 42.059 -0.036 0.000 0.953 279 L HN 0.393 nan 8.230 nan 0.000 0.454 280 G N -0.136 108.672 108.800 0.013 0.000 2.135 280 G HA2 -0.142 3.819 3.960 0.000 0.000 0.183 280 G HA3 -0.142 3.819 3.960 0.000 0.000 0.183 280 G C 0.193 175.108 174.900 0.024 0.000 1.004 280 G CA -0.140 44.973 45.100 0.022 0.000 0.677 280 G HN 0.435 nan 8.290 nan 0.000 0.512 281 A N -0.182 122.647 122.820 0.015 0.000 2.287 281 A HA 0.827 5.147 4.320 0.000 0.000 0.273 281 A C 0.664 178.274 177.584 0.044 0.000 1.091 281 A CA -0.337 51.710 52.037 0.017 0.000 0.817 281 A CB 0.509 19.488 19.000 -0.034 0.000 1.069 281 A HN 0.437 nan 8.150 nan 0.000 0.492 282 R N 0.684 121.226 120.500 0.070 0.000 2.204 282 R HA 0.407 4.747 4.340 0.000 0.000 0.341 282 R C -1.160 175.205 176.300 0.107 0.000 1.035 282 R CA -0.309 55.849 56.100 0.098 0.000 0.887 282 R CB 0.927 31.327 30.300 0.167 0.000 1.114 282 R HN 0.463 nan 8.270 nan 0.000 0.473 283 V N 4.515 124.421 119.914 -0.013 0.000 2.546 283 V HA 0.224 4.344 4.120 0.000 0.000 0.284 283 V C -0.493 175.474 176.094 -0.211 0.000 1.050 283 V CA -0.338 61.869 62.300 -0.155 0.000 0.981 283 V CB 0.581 32.049 31.823 -0.592 0.000 0.990 283 V HN 0.531 nan 8.190 nan 0.000 0.474 284 Y N 4.094 124.293 120.300 -0.167 0.000 2.425 284 Y HA 0.645 5.195 4.550 0.000 0.000 0.344 284 Y C -0.057 175.768 175.900 -0.126 0.000 0.969 284 Y CA -0.951 57.088 58.100 -0.102 0.000 1.052 284 Y CB 1.813 40.232 38.460 -0.069 0.000 1.215 284 Y HN 0.348 nan 8.280 nan 0.000 0.451 285 I N 2.547 123.125 120.570 0.013 0.000 2.646 285 I HA 0.432 4.602 4.170 0.000 0.000 0.299 285 I C -0.053 176.086 176.117 0.036 0.000 1.036 285 I CA -0.728 60.565 61.300 -0.012 0.000 1.074 285 I CB 2.052 39.985 38.000 -0.111 0.000 1.258 285 I HN 0.647 nan 8.210 nan 0.000 0.430 286 T N 1.794 116.378 114.554 0.050 0.000 2.856 286 T HA 0.770 5.121 4.350 0.000 0.000 0.283 286 T C -0.461 174.272 174.700 0.054 0.000 1.008 286 T CA -0.593 61.537 62.100 0.050 0.000 0.997 286 T CB 2.895 71.791 68.868 0.047 0.000 0.992 286 T HN 0.526 nan 8.240 nan 0.000 0.454 287 E N 0.876 121.104 120.200 0.046 0.000 2.407 287 E HA 0.348 4.699 4.350 0.000 0.000 0.279 287 E C 0.314 176.939 176.600 0.042 0.000 1.012 287 E CA -0.612 55.820 56.400 0.054 0.000 0.800 287 E CB 2.108 31.844 29.700 0.060 0.000 1.276 287 E HN 0.847 nan 8.360 nan 0.000 0.452 288 I N -2.522 118.073 120.570 0.041 0.000 4.139 288 I HA 0.374 4.544 4.170 0.000 0.000 0.320 288 I C 0.569 176.703 176.117 0.029 0.000 1.290 288 I CA -0.079 61.240 61.300 0.032 0.000 1.253 288 I CB 0.649 38.666 38.000 0.029 0.000 1.122 288 I HN 0.077 nan 8.210 nan 0.000 0.421 289 D N 3.682 124.103 120.400 0.035 0.000 2.317 289 D HA 0.232 4.872 4.640 0.000 0.000 0.234 289 D C -1.503 174.817 176.300 0.033 0.000 1.112 289 D CA -2.515 51.504 54.000 0.032 0.000 0.840 289 D CB 1.860 42.681 40.800 0.035 0.000 1.078 289 D HN 0.017 nan 8.370 nan 0.000 0.486 290 P HA -0.120 nan 4.420 nan 0.000 0.218 290 P C 1.783 179.096 177.300 0.021 0.000 1.148 290 P CA 0.768 63.880 63.100 0.019 0.000 0.822 290 P CB 0.579 32.286 31.700 0.012 0.000 0.784 291 I N -0.303 120.282 120.570 0.026 0.000 2.202 291 I HA -0.218 3.953 4.170 0.000 0.000 0.242 291 I C 2.670 178.819 176.117 0.055 0.000 1.091 291 I CA 1.299 62.616 61.300 0.029 0.000 1.368 291 I CB -0.873 37.141 38.000 0.022 0.000 1.058 291 I HN 0.023 nan 8.210 nan 0.000 0.410 292 C N 0.789 120.136 119.300 0.080 0.000 2.440 292 C HA -0.062 4.398 4.460 0.000 0.000 0.278 292 C C 3.189 178.254 174.990 0.125 0.000 1.295 292 C CA 0.750 59.864 59.018 0.160 0.000 1.738 292 C CB -1.209 26.639 27.740 0.179 0.000 1.987 292 C HN 0.585 nan 8.230 nan 0.000 0.492 293 A N 0.566 123.416 122.820 0.050 0.000 1.933 293 A HA -0.117 4.203 4.320 0.000 0.000 0.218 293 A C 2.002 179.559 177.584 -0.044 0.000 1.175 293 A CA 1.540 53.569 52.037 -0.014 0.000 0.628 293 A CB -0.553 18.446 19.000 -0.002 0.000 0.814 293 A HN 0.610 nan 8.150 nan 0.000 0.444 294 I N -0.648 119.914 120.570 -0.013 0.000 2.315 294 I HA -0.283 3.887 4.170 0.000 0.000 0.248 294 I C 2.732 178.831 176.117 -0.030 0.000 1.117 294 I CA 1.249 62.534 61.300 -0.024 0.000 1.404 294 I CB -0.426 37.569 38.000 -0.008 0.000 1.071 294 I HN 0.441 nan 8.210 nan 0.000 0.419 295 Q N 0.673 120.483 119.800 0.018 0.000 2.096 295 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 295 Q C 2.476 178.451 176.000 -0.041 0.000 0.982 295 Q CA 1.813 57.658 55.803 0.069 0.000 0.850 295 Q CB -0.288 28.595 28.738 0.242 0.000 0.901 295 Q HN 0.588 nan 8.270 nan 0.000 0.422 296 A N 0.317 122.966 122.820 -0.286 0.000 1.898 296 A HA -0.123 4.197 4.320 0.000 0.000 0.216 296 A C 2.321 179.756 177.584 -0.248 0.000 1.181 296 A CA 1.266 52.966 52.037 -0.562 0.000 0.620 296 A CB -0.579 17.971 19.000 -0.751 0.000 0.819 296 A HN 0.210 nan 8.150 nan 0.000 0.442 297 V N 0.009 119.821 119.914 -0.170 0.000 2.427 297 V HA -0.237 3.883 4.120 0.000 0.000 0.248 297 V C 2.449 178.445 176.094 -0.164 0.000 1.051 297 V CA 1.746 63.965 62.300 -0.134 0.000 1.048 297 V CB -0.664 31.106 31.823 -0.088 0.000 0.666 297 V HN 0.497 nan 8.190 nan 0.000 0.456 298 M N -0.467 119.047 119.600 -0.144 0.000 2.632 298 M HA -0.025 4.455 4.480 0.000 0.000 0.256 298 M C 1.539 177.718 176.300 -0.202 0.000 1.080 298 M CA 1.058 56.278 55.300 -0.133 0.000 1.084 298 M CB -0.849 31.705 32.600 -0.078 0.000 1.439 298 M HN 0.321 nan 8.290 nan 0.000 0.509 299 E N -0.436 119.556 120.200 -0.346 0.000 2.476 299 E HA 0.284 4.634 4.350 0.000 0.000 0.196 299 E C 1.288 177.430 176.600 -0.762 0.000 1.029 299 E CA 0.343 56.408 56.400 -0.557 0.000 0.896 299 E CB 0.163 29.411 29.700 -0.753 0.000 1.012 299 E HN 0.565 nan 8.360 nan 0.000 0.475 300 G N 1.071 109.571 108.800 -0.500 0.000 2.141 300 G HA2 -0.267 3.694 3.960 0.000 0.000 0.231 300 G HA3 -0.267 3.694 3.960 0.000 0.000 0.231 300 G C 0.137 174.904 174.900 -0.222 0.000 0.984 300 G CA -0.185 44.714 45.100 -0.335 0.000 0.660 300 G HN 0.260 nan 8.290 nan 0.000 0.525 301 F N 0.243 120.095 119.950 -0.165 0.000 2.377 301 F HA 0.520 5.047 4.527 0.000 0.000 0.328 301 F C 0.756 176.403 175.800 -0.255 0.000 1.094 301 F CA -1.183 56.683 58.000 -0.222 0.000 1.093 301 F CB 1.061 39.919 39.000 -0.236 0.000 1.214 301 F HN 0.019 nan 8.300 nan 0.000 0.518 302 N N 1.602 120.211 118.700 -0.152 0.000 2.426 302 N HA 0.235 4.975 4.740 0.000 0.000 0.257 302 N C -1.244 174.202 175.510 -0.106 0.000 1.002 302 N CA -0.255 52.665 53.050 -0.216 0.000 0.942 302 N CB 1.207 39.407 38.487 -0.478 0.000 1.112 302 N HN 0.290 nan 8.380 nan 0.000 0.499 303 V N 4.397 124.286 119.914 -0.042 0.000 2.432 303 V HA 0.438 4.559 4.120 0.000 0.000 0.271 303 V C 0.448 176.568 176.094 0.044 0.000 1.046 303 V CA -0.388 61.909 62.300 -0.004 0.000 0.945 303 V CB 0.689 32.497 31.823 -0.025 0.000 0.992 303 V HN 0.531 nan 8.190 nan 0.000 0.471 304 V N 1.935 121.898 119.914 0.082 0.000 3.202 304 V HA 0.826 4.946 4.120 0.000 0.000 0.306 304 V C -0.192 175.944 176.094 0.070 0.000 1.283 304 V CA -0.624 61.732 62.300 0.094 0.000 1.065 304 V CB 2.088 34.007 31.823 0.160 0.000 1.079 304 V HN 0.770 nan 8.190 nan 0.000 0.448 305 T N -0.617 113.971 114.554 0.056 0.000 2.922 305 T HA 0.515 4.865 4.350 0.000 0.000 0.285 305 T C 0.806 175.519 174.700 0.021 0.000 1.005 305 T CA -0.066 62.056 62.100 0.037 0.000 1.061 305 T CB 1.525 70.416 68.868 0.038 0.000 1.007 305 T HN 0.955 nan 8.240 nan 0.000 0.502 306 L N 1.264 122.470 121.223 -0.028 0.000 2.043 306 L HA -0.101 4.239 4.340 0.000 0.000 0.212 306 L C 2.130 178.963 176.870 -0.061 0.000 1.075 306 L CA 1.940 56.723 54.840 -0.096 0.000 0.752 306 L CB -0.979 40.873 42.059 -0.346 0.000 0.891 306 L HN 0.770 nan 8.230 nan 0.000 0.432 307 D N -0.551 119.846 120.400 -0.005 0.000 2.190 307 D HA -0.241 4.399 4.640 0.000 0.000 0.200 307 D C 1.851 178.179 176.300 0.047 0.000 0.992 307 D CA 1.608 55.652 54.000 0.073 0.000 0.854 307 D CB -0.010 40.853 40.800 0.104 0.000 0.936 307 D HN 0.606 nan 8.370 nan 0.000 0.462 308 E N -0.324 119.897 120.200 0.035 0.000 2.208 308 E HA -0.068 4.283 4.350 0.000 0.000 0.193 308 E C 1.679 178.281 176.600 0.004 0.000 0.988 308 E CA 0.325 56.743 56.400 0.030 0.000 0.828 308 E CB 0.324 30.051 29.700 0.045 0.000 0.763 308 E HN 0.171 nan 8.360 nan 0.000 0.478 309 I N -0.652 119.913 120.570 -0.009 0.000 4.227 309 I HA -0.004 4.166 4.170 0.000 0.000 0.334 309 I C 1.450 177.588 176.117 0.036 0.000 1.341 309 I CA 0.124 61.376 61.300 -0.080 0.000 1.123 309 I CB 0.963 38.817 38.000 -0.244 0.000 1.097 309 I HN -0.147 nan 8.210 nan 0.000 0.399 310 V N 0.877 120.859 119.914 0.113 0.000 2.794 310 V HA -0.254 3.866 4.120 0.000 0.000 0.260 310 V C 1.695 177.886 176.094 0.161 0.000 1.103 310 V CA 2.420 64.829 62.300 0.181 0.000 1.125 310 V CB -0.509 31.316 31.823 0.004 0.000 0.702 310 V HN 0.422 nan 8.190 nan 0.000 0.494 311 D N -0.525 119.924 120.400 0.082 0.000 2.249 311 D HA -0.021 4.620 4.640 0.000 0.000 0.205 311 D C 1.882 178.207 176.300 0.042 0.000 0.962 311 D CA 0.814 54.845 54.000 0.051 0.000 0.860 311 D CB 0.122 40.935 40.800 0.022 0.000 0.955 311 D HN 0.544 nan 8.370 nan 0.000 0.505 312 K N 0.475 120.881 120.400 0.010 0.000 2.373 312 K HA 0.189 4.509 4.320 0.000 0.000 0.200 312 K C 1.111 177.665 176.600 -0.077 0.000 1.054 312 K CA -0.193 56.071 56.287 -0.039 0.000 1.065 312 K CB 1.340 33.791 32.500 -0.082 0.000 0.886 312 K HN -0.114 nan 8.250 nan 0.000 0.546 313 G N 1.832 110.592 108.800 -0.066 0.000 2.353 313 G HA2 -0.067 3.893 3.960 0.000 0.000 0.239 313 G HA3 -0.067 3.893 3.960 0.000 0.000 0.239 313 G C -0.049 174.693 174.900 -0.262 0.000 1.295 313 G CA -0.163 44.731 45.100 -0.344 0.000 0.884 313 G HN 0.054 nan 8.290 nan 0.000 0.537 314 D N 0.960 121.179 120.400 -0.301 0.000 2.323 314 D HA 0.057 4.697 4.640 0.000 0.000 0.218 314 D C 0.028 176.010 176.300 -0.530 0.000 0.973 314 D CA 1.001 54.818 54.000 -0.306 0.000 0.890 314 D CB 0.375 41.058 40.800 -0.194 0.000 1.011 314 D HN 0.329 nan 8.370 nan 0.000 0.499 315 F N -0.182 119.603 119.950 -0.275 0.000 2.556 315 F HA 0.419 4.946 4.527 0.000 0.000 0.314 315 F C -0.743 174.796 175.800 -0.434 0.000 1.106 315 F CA -0.980 56.916 58.000 -0.174 0.000 0.911 315 F CB 1.628 40.581 39.000 -0.079 0.000 1.190 315 F HN -0.345 nan 8.300 nan 0.000 0.448 316 F N 4.026 124.075 119.950 0.166 0.000 2.496 316 F HA 0.619 5.146 4.527 0.000 0.000 0.341 316 F C -0.811 175.038 175.800 0.083 0.000 1.134 316 F CA -0.727 57.324 58.000 0.085 0.000 0.968 316 F CB 1.394 40.413 39.000 0.031 0.000 1.205 316 F HN 0.107 nan 8.300 nan 0.000 0.436 317 I N 2.401 123.086 120.570 0.191 0.000 2.436 317 I HA 0.372 4.542 4.170 0.000 0.000 0.289 317 I C -0.067 176.113 176.117 0.104 0.000 1.010 317 I CA -0.571 60.805 61.300 0.127 0.000 1.098 317 I CB 2.154 40.196 38.000 0.071 0.000 1.266 317 I HN 0.544 nan 8.210 nan 0.000 0.434 318 T N 1.582 116.190 114.554 0.091 0.000 2.799 318 T HA 0.443 4.793 4.350 0.000 0.000 0.286 318 T C 0.019 174.755 174.700 0.060 0.000 0.973 318 T CA -0.588 61.558 62.100 0.076 0.000 1.035 318 T CB 0.787 69.699 68.868 0.073 0.000 0.932 318 T HN 0.671 nan 8.240 nan 0.000 0.469 319 C N 2.675 122.007 119.300 0.053 0.000 3.061 319 C HA 0.326 4.786 4.460 0.000 0.000 0.249 319 C C 2.053 177.060 174.990 0.030 0.000 2.060 319 C CA -0.203 58.836 59.018 0.035 0.000 1.649 319 C CB -1.662 26.089 27.740 0.019 0.000 3.268 319 C HN 1.087 nan 8.230 nan 0.000 0.457 320 T N -2.844 111.737 114.554 0.045 0.000 3.044 320 T HA 0.296 4.646 4.350 0.000 0.000 0.255 320 T C 1.742 176.438 174.700 -0.006 0.000 1.073 320 T CA 1.327 63.444 62.100 0.029 0.000 1.125 320 T CB -0.099 68.796 68.868 0.045 0.000 0.908 320 T HN 1.236 nan 8.240 nan 0.000 0.480 321 G N 1.602 110.407 108.800 0.008 0.000 2.160 321 G HA2 -0.253 3.707 3.960 0.000 0.000 0.251 321 G HA3 -0.253 3.707 3.960 0.000 0.000 0.251 321 G C 0.017 174.746 174.900 -0.284 0.000 1.008 321 G CA 0.338 45.337 45.100 -0.168 0.000 0.724 321 G HN 0.769 nan 8.290 nan 0.000 0.514 322 N N -1.019 117.675 118.700 -0.010 0.000 2.906 322 N HA 0.753 5.494 4.740 0.000 0.000 0.327 322 N C 0.195 175.849 175.510 0.239 0.000 1.344 322 N CA 0.196 53.276 53.050 0.050 0.000 0.823 322 N CB 1.933 40.445 38.487 0.042 0.000 1.351 322 N HN 0.747 nan 8.380 nan 0.000 0.604 323 V N -1.913 118.099 119.914 0.163 0.000 2.815 323 V HA 0.539 4.659 4.120 0.000 0.000 0.314 323 V C -0.659 175.489 176.094 0.091 0.000 1.064 323 V CA -0.765 61.626 62.300 0.152 0.000 0.952 323 V CB 1.459 33.357 31.823 0.125 0.000 1.020 323 V HN 0.716 nan 8.190 nan 0.000 0.439 324 D N 1.372 121.814 120.400 0.070 0.000 2.689 324 D HA -0.151 4.489 4.640 0.000 0.000 0.237 324 D C 0.946 177.289 176.300 0.072 0.000 1.148 324 D CA 1.069 55.102 54.000 0.056 0.000 0.656 324 D CB -0.855 39.972 40.800 0.044 0.000 1.050 324 D HN 0.553 nan 8.370 nan 0.000 0.426 325 V N -0.528 119.429 119.914 0.072 0.000 2.346 325 V HA -0.054 4.066 4.120 0.000 0.000 0.244 325 V C 1.564 177.700 176.094 0.070 0.000 1.037 325 V CA 0.974 63.314 62.300 0.067 0.000 1.029 325 V CB 0.176 32.035 31.823 0.060 0.000 0.663 325 V HN 0.330 nan 8.190 nan 0.000 0.454 326 I N 1.286 121.896 120.570 0.065 0.000 2.371 326 I HA 0.249 4.419 4.170 0.000 0.000 0.282 326 I C 0.111 176.302 176.117 0.123 0.000 1.031 326 I CA -0.188 61.160 61.300 0.080 0.000 1.180 326 I CB 0.802 38.789 38.000 -0.022 0.000 1.336 326 I HN 0.174 nan 8.210 nan 0.000 0.467 327 K N 4.062 124.611 120.400 0.249 0.000 2.102 327 K HA 0.226 4.546 4.320 0.000 0.000 0.244 327 K C 1.053 177.611 176.600 -0.070 0.000 1.021 327 K CA -0.769 55.530 56.287 0.020 0.000 0.913 327 K CB 1.249 33.692 32.500 -0.094 0.000 1.062 327 K HN 0.440 nan 8.250 nan 0.000 0.485 328 L N 2.289 123.443 121.223 -0.116 0.000 2.042 328 L HA -0.219 4.122 4.340 0.000 0.000 0.210 328 L C 2.161 178.898 176.870 -0.223 0.000 1.076 328 L CA 2.168 56.909 54.840 -0.165 0.000 0.749 328 L CB -0.813 41.138 42.059 -0.180 0.000 0.893 328 L HN 0.804 nan 8.230 nan 0.000 0.432 329 E N -1.815 118.226 120.200 -0.265 0.000 2.209 329 E HA -0.268 4.082 4.350 0.000 0.000 0.196 329 E C 1.790 178.233 176.600 -0.260 0.000 0.993 329 E CA 1.266 57.497 56.400 -0.281 0.000 0.819 329 E CB -0.415 29.098 29.700 -0.312 0.000 0.745 329 E HN 0.598 nan 8.360 nan 0.000 0.477 330 H N 0.944 119.937 119.070 -0.129 0.000 2.343 330 H HA 0.075 4.631 4.556 0.000 0.000 0.303 330 H C 2.391 177.595 175.328 -0.208 0.000 1.068 330 H CA 1.094 57.047 56.048 -0.159 0.000 1.359 330 H CB -0.243 29.416 29.762 -0.172 0.000 1.402 330 H HN 0.168 nan 8.280 nan 0.000 0.515 331 L N 0.290 121.466 121.223 -0.080 0.000 2.043 331 L HA -0.203 4.137 4.340 0.000 0.000 0.212 331 L C 2.230 179.031 176.870 -0.115 0.000 1.075 331 L CA 0.680 55.443 54.840 -0.130 0.000 0.752 331 L CB -0.468 41.533 42.059 -0.098 0.000 0.891 331 L HN 0.124 nan 8.230 nan 0.000 0.432 332 L N -0.388 120.756 121.223 -0.132 0.000 2.353 332 L HA -0.170 4.170 4.340 0.000 0.000 0.220 332 L C 2.095 178.923 176.870 -0.070 0.000 1.133 332 L CA 1.625 56.395 54.840 -0.117 0.000 0.798 332 L CB -0.695 41.261 42.059 -0.171 0.000 0.922 332 L HN 0.191 nan 8.230 nan 0.000 0.445 333 K N -1.547 118.814 120.400 -0.065 0.000 2.358 333 K HA 0.206 4.526 4.320 0.000 0.000 0.197 333 K C 0.531 177.116 176.600 -0.026 0.000 1.025 333 K CA -0.166 56.101 56.287 -0.034 0.000 1.104 333 K CB 0.254 32.745 32.500 -0.015 0.000 0.855 333 K HN 0.237 nan 8.250 nan 0.000 0.531 334 M N 2.471 122.040 119.600 -0.052 0.000 2.245 334 M HA 0.019 4.500 4.480 0.000 0.000 0.330 334 M C 0.565 176.874 176.300 0.016 0.000 1.098 334 M CA 0.292 55.579 55.300 -0.021 0.000 1.172 334 M CB 0.360 32.916 32.600 -0.074 0.000 1.467 334 M HN 0.020 nan 8.290 nan 0.000 0.454 335 K N 1.986 122.415 120.400 0.047 0.000 2.149 335 K HA 0.122 4.442 4.320 0.000 0.000 0.245 335 K C -0.120 176.489 176.600 0.015 0.000 1.024 335 K CA -0.644 55.658 56.287 0.024 0.000 0.899 335 K CB 0.406 32.917 32.500 0.018 0.000 1.038 335 K HN 0.658 nan 8.250 nan 0.000 0.496 336 N N 1.071 119.771 118.700 -0.000 0.000 2.513 336 N HA -0.081 4.659 4.740 0.000 0.000 0.268 336 N C -0.432 175.069 175.510 -0.014 0.000 1.180 336 N CA 0.408 53.456 53.050 -0.003 0.000 0.948 336 N CB 0.102 38.584 38.487 -0.008 0.000 1.083 336 N HN 0.831 nan 8.380 nan 0.000 0.455 337 N N 0.511 119.215 118.700 0.007 0.000 2.925 337 N HA -0.184 4.556 4.740 0.000 0.000 0.244 337 N C -1.002 174.523 175.510 0.025 0.000 1.000 337 N CA 0.944 54.009 53.050 0.025 0.000 0.895 337 N CB -1.315 37.140 38.487 -0.054 0.000 1.119 337 N HN 0.706 nan 8.380 nan 0.000 0.569 338 A N -0.256 122.575 122.820 0.018 0.000 2.462 338 A HA 0.491 4.812 4.320 0.000 0.000 0.243 338 A C 0.437 178.046 177.584 0.041 0.000 1.076 338 A CA 0.169 52.222 52.037 0.027 0.000 0.773 338 A CB 0.662 19.753 19.000 0.152 0.000 1.010 338 A HN 0.186 nan 8.150 nan 0.000 0.493 339 V N 2.932 122.829 119.914 -0.027 0.000 2.435 339 V HA 0.479 4.599 4.120 0.000 0.000 0.290 339 V C -0.272 175.934 176.094 0.187 0.000 1.030 339 V CA -0.414 61.907 62.300 0.034 0.000 0.881 339 V CB 1.523 33.323 31.823 -0.039 0.000 0.983 339 V HN 0.639 nan 8.190 nan 0.000 0.445 340 V N 3.393 123.403 119.914 0.160 0.000 2.531 340 V HA 0.944 5.064 4.120 0.000 0.000 0.301 340 V C 0.381 176.550 176.094 0.126 0.000 1.034 340 V CA -0.162 62.244 62.300 0.177 0.000 0.865 340 V CB 1.645 33.526 31.823 0.097 0.000 0.995 340 V HN 1.043 nan 8.190 nan 0.000 0.424 341 G N 2.561 111.442 108.800 0.135 0.000 2.690 341 G HA2 0.582 4.542 3.960 0.000 0.000 0.293 341 G HA3 0.582 4.542 3.960 0.000 0.000 0.293 341 G C -1.753 173.193 174.900 0.077 0.000 1.399 341 G CA -0.740 44.413 45.100 0.089 0.000 0.890 341 G HN 0.631 nan 8.290 nan 0.000 0.485 342 N N -0.037 118.691 118.700 0.047 0.000 2.342 342 N HA 0.499 5.240 4.740 0.000 0.000 0.293 342 N C -0.226 175.300 175.510 0.026 0.000 1.026 342 N CA -0.825 52.247 53.050 0.037 0.000 0.857 342 N CB 1.905 40.401 38.487 0.015 0.000 1.256 342 N HN 0.339 nan 8.380 nan 0.000 0.484 343 I N 1.754 122.341 120.570 0.028 0.000 4.050 343 I HA 0.418 4.588 4.170 0.000 0.000 0.327 343 I C 0.917 177.039 176.117 0.009 0.000 1.473 343 I CA -0.286 61.023 61.300 0.015 0.000 1.124 343 I CB 0.007 38.021 38.000 0.023 0.000 1.129 343 I HN 0.675 nan 8.210 nan 0.000 0.428 344 G N 0.543 109.358 108.800 0.025 0.000 3.199 344 G HA2 0.096 4.056 3.960 0.000 0.000 0.184 344 G HA3 0.096 4.056 3.960 0.000 0.000 0.184 344 G C -0.189 174.729 174.900 0.030 0.000 1.974 344 G CA 0.096 45.222 45.100 0.044 0.000 0.885 344 G HN 0.575 nan 8.290 nan 0.000 0.575 345 H N -2.506 116.477 119.070 -0.144 0.000 2.622 345 H HA 0.612 5.168 4.556 0.000 0.000 0.363 345 H C 0.243 175.448 175.328 -0.205 0.000 1.151 345 H CA -1.083 54.760 56.048 -0.342 0.000 1.184 345 H CB 1.502 31.004 29.762 -0.434 0.000 1.643 345 H HN 0.306 nan 8.280 nan 0.000 0.531 346 F N 0.450 120.287 119.950 -0.188 0.000 3.093 346 F HA -0.423 4.104 4.527 0.000 0.000 0.240 346 F C 1.400 177.046 175.800 -0.256 0.000 1.138 346 F CA 1.967 59.810 58.000 -0.262 0.000 1.408 346 F CB -0.934 37.872 39.000 -0.323 0.000 0.627 346 F HN 0.946 nan 8.300 nan 0.000 0.532 347 D N -1.511 118.874 120.400 -0.026 0.000 2.692 347 D HA 0.185 4.825 4.640 0.000 0.000 0.290 347 D C 0.359 176.595 176.300 -0.105 0.000 1.455 347 D CA 0.148 54.099 54.000 -0.082 0.000 0.796 347 D CB -0.100 40.650 40.800 -0.083 0.000 1.131 347 D HN 0.366 nan 8.370 nan 0.000 0.467 348 D N 1.375 121.677 120.400 -0.163 0.000 2.240 348 D HA -0.052 4.588 4.640 0.000 0.000 0.206 348 D C 1.788 178.074 176.300 -0.024 0.000 0.963 348 D CA 0.503 54.443 54.000 -0.099 0.000 0.863 348 D CB 0.386 41.132 40.800 -0.091 0.000 0.973 348 D HN 0.363 nan 8.370 nan 0.000 0.501 349 E N 0.200 120.389 120.200 -0.020 0.000 2.118 349 E HA -0.087 4.264 4.350 0.000 0.000 0.195 349 E C 0.564 177.181 176.600 0.029 0.000 0.992 349 E CA 0.715 57.148 56.400 0.055 0.000 0.804 349 E CB 0.369 30.116 29.700 0.078 0.000 0.741 349 E HN 0.316 nan 8.360 nan 0.000 0.458 350 I N 1.190 121.758 120.570 -0.004 0.000 2.433 350 I HA 0.080 4.250 4.170 0.000 0.000 0.292 350 I C 0.199 176.293 176.117 -0.038 0.000 1.001 350 I CA -0.428 60.864 61.300 -0.013 0.000 1.119 350 I CB 1.777 39.767 38.000 -0.018 0.000 1.289 350 I HN -0.157 nan 8.210 nan 0.000 0.438 351 Q N 4.398 124.179 119.800 -0.031 0.000 3.141 351 Q HA 0.074 4.415 4.340 0.000 0.000 0.304 351 Q C 1.165 177.125 176.000 -0.066 0.000 1.305 351 Q CA -0.178 55.600 55.803 -0.042 0.000 0.929 351 Q CB 0.232 28.954 28.738 -0.026 0.000 1.701 351 Q HN 0.636 nan 8.270 nan 0.000 0.483 352 V N 0.606 120.441 119.914 -0.131 0.000 2.332 352 V HA -0.317 3.804 4.120 0.000 0.000 0.248 352 V C 1.867 177.783 176.094 -0.296 0.000 1.055 352 V CA 1.684 63.822 62.300 -0.269 0.000 1.038 352 V CB -0.310 31.245 31.823 -0.446 0.000 0.651 352 V HN 0.644 nan 8.190 nan 0.000 0.450 353 N N 0.268 118.848 118.700 -0.199 0.000 2.058 353 N HA -0.193 4.547 4.740 0.000 0.000 0.191 353 N C 1.882 177.421 175.510 0.047 0.000 1.037 353 N CA 1.668 54.669 53.050 -0.082 0.000 0.848 353 N CB -0.289 38.166 38.487 -0.053 0.000 1.021 353 N HN 0.522 nan 8.380 nan 0.000 0.422 354 E N 0.959 121.179 120.200 0.034 0.000 2.085 354 E HA -0.142 4.209 4.350 0.000 0.000 0.194 354 E C 1.936 178.619 176.600 0.138 0.000 0.994 354 E CA 0.506 56.952 56.400 0.076 0.000 0.801 354 E CB -0.384 29.334 29.700 0.029 0.000 0.743 354 E HN 0.198 nan 8.360 nan 0.000 0.453 355 L N -0.479 120.821 121.223 0.127 0.000 2.056 355 L HA -0.096 4.244 4.340 0.000 0.000 0.207 355 L C 1.761 178.850 176.870 0.365 0.000 1.078 355 L CA 1.601 56.558 54.840 0.194 0.000 0.749 355 L CB -0.386 41.783 42.059 0.184 0.000 0.901 355 L HN 0.053 nan 8.230 nan 0.000 0.433 356 F N 0.138 120.124 119.950 0.060 0.000 2.269 356 F HA -0.097 4.430 4.527 0.000 0.000 0.301 356 F C 1.966 177.815 175.800 0.082 0.000 1.082 356 F CA 0.838 58.877 58.000 0.064 0.000 1.360 356 F CB -0.726 38.302 39.000 0.047 0.000 1.041 356 F HN 0.292 nan 8.300 nan 0.000 0.512 357 N N -1.481 117.384 118.700 0.276 0.000 2.251 357 N HA -0.061 4.680 4.740 0.000 0.000 0.217 357 N C -0.314 175.302 175.510 0.177 0.000 1.124 357 N CA -0.025 53.133 53.050 0.180 0.000 0.843 357 N CB -0.009 38.563 38.487 0.142 0.000 1.024 357 N HN 0.152 nan 8.380 nan 0.000 0.501 358 Y N 3.193 123.536 120.300 0.070 0.000 2.309 358 Y HA 0.057 4.608 4.550 0.000 0.000 0.327 358 Y C 0.655 176.573 175.900 0.030 0.000 1.172 358 Y CA -1.090 57.037 58.100 0.044 0.000 1.280 358 Y CB 0.661 39.147 38.460 0.043 0.000 1.234 358 Y HN -0.026 nan 8.280 nan 0.000 0.512 359 K N 3.399 123.433 120.400 -0.611 0.000 2.447 359 K HA 0.391 4.712 4.320 0.000 0.000 0.281 359 K C 0.704 177.125 176.600 -0.299 0.000 1.031 359 K CA 0.466 56.505 56.287 -0.412 0.000 1.019 359 K CB 0.012 32.254 32.500 -0.431 0.000 0.918 359 K HN 1.003 nan 8.250 nan 0.000 0.476 360 G N 2.864 111.599 108.800 -0.109 0.000 2.132 360 G HA2 -0.178 3.782 3.960 0.000 0.000 0.234 360 G HA3 -0.178 3.782 3.960 0.000 0.000 0.234 360 G C -0.119 174.810 174.900 0.049 0.000 0.989 360 G CA -0.224 44.858 45.100 -0.030 0.000 0.676 360 G HN 0.573 nan 8.290 nan 0.000 0.522 361 I N 1.133 121.746 120.570 0.072 0.000 2.353 361 I HA 0.326 4.496 4.170 0.000 0.000 0.293 361 I C 0.451 176.620 176.117 0.087 0.000 0.992 361 I CA -0.705 60.655 61.300 0.101 0.000 1.268 361 I CB 1.264 39.343 38.000 0.131 0.000 1.387 361 I HN 0.284 nan 8.210 nan 0.000 0.478 362 H N 7.085 126.128 119.070 -0.046 0.000 2.504 362 H HA 0.524 5.080 4.556 0.000 0.000 0.322 362 H C -1.058 174.193 175.328 -0.128 0.000 1.055 362 H CA -0.713 55.291 56.048 -0.073 0.000 1.231 362 H CB 1.388 31.123 29.762 -0.046 0.000 1.417 362 H HN 0.450 nan 8.280 nan 0.000 0.472 363 I N 4.830 125.242 120.570 -0.264 0.000 2.339 363 I HA 0.164 4.334 4.170 0.000 0.000 0.290 363 I C -0.243 175.598 176.117 -0.460 0.000 0.994 363 I CA -0.229 60.806 61.300 -0.441 0.000 1.191 363 I CB 1.684 39.383 38.000 -0.501 0.000 1.343 363 I HN 0.587 nan 8.210 nan 0.000 0.458 364 E N 6.245 126.176 120.200 -0.448 0.000 2.216 364 E HA 0.177 4.527 4.350 0.000 0.000 0.260 364 E C -0.860 175.644 176.600 -0.160 0.000 0.880 364 E CA -0.655 55.561 56.400 -0.306 0.000 0.765 364 E CB 1.330 30.813 29.700 -0.361 0.000 1.174 364 E HN 0.530 nan 8.360 nan 0.000 0.417 365 N N 3.955 122.599 118.700 -0.092 0.000 2.470 365 N HA 0.015 4.756 4.740 0.000 0.000 0.268 365 N C 0.428 175.913 175.510 -0.043 0.000 1.136 365 N CA 0.070 53.089 53.050 -0.053 0.000 0.961 365 N CB 1.404 39.876 38.487 -0.025 0.000 1.067 365 N HN 0.267 nan 8.380 nan 0.000 0.468 366 V N 4.038 123.927 119.914 -0.041 0.000 2.575 366 V HA 0.014 4.134 4.120 0.000 0.000 0.242 366 V C 0.645 176.722 176.094 -0.028 0.000 1.045 366 V CA 1.267 63.547 62.300 -0.033 0.000 1.065 366 V CB -0.323 31.478 31.823 -0.037 0.000 0.717 366 V HN 0.849 nan 8.190 nan 0.000 0.467 367 K N -1.203 119.176 120.400 -0.035 0.000 2.680 367 K HA 0.391 4.711 4.320 0.000 0.000 0.295 367 K C -3.328 173.244 176.600 -0.048 0.000 1.052 367 K CA -1.729 54.538 56.287 -0.033 0.000 0.863 367 K CB 0.895 33.375 32.500 -0.034 0.000 1.549 367 K HN -0.234 nan 8.250 nan 0.000 0.391 368 P HA 0.020 nan 4.420 nan 0.000 0.261 368 P C -0.923 176.295 177.300 -0.136 0.000 1.183 368 P CA 0.740 63.792 63.100 -0.078 0.000 0.761 368 P CB 0.465 32.136 31.700 -0.050 0.000 0.785 369 Q N -0.446 119.218 119.800 -0.226 0.000 2.416 369 Q HA -0.144 4.197 4.340 0.000 0.000 0.235 369 Q C -0.670 175.239 176.000 -0.152 0.000 0.773 369 Q CA 1.042 56.661 55.803 -0.306 0.000 1.286 369 Q CB -2.147 26.384 28.738 -0.346 0.000 1.556 369 Q HN 0.278 nan 8.270 nan 0.000 0.650 370 V N 0.983 120.839 119.914 -0.096 0.000 2.482 370 V HA 0.480 4.600 4.120 0.000 0.000 0.295 370 V C -0.311 175.763 176.094 -0.034 0.000 1.026 370 V CA -0.801 61.464 62.300 -0.060 0.000 0.856 370 V CB 2.064 33.844 31.823 -0.072 0.000 1.001 370 V HN 0.086 nan 8.190 nan 0.000 0.424 371 D N 3.454 123.854 120.400 -0.000 0.000 2.457 371 D HA 0.487 5.127 4.640 0.000 0.000 0.240 371 D C -0.581 175.704 176.300 -0.024 0.000 1.041 371 D CA -0.711 53.285 54.000 -0.007 0.000 0.861 371 D CB 3.029 43.858 40.800 0.048 0.000 1.394 371 D HN 0.355 nan 8.370 nan 0.000 0.473 372 R N 1.630 122.082 120.500 -0.081 0.000 2.343 372 R HA 0.455 4.796 4.340 0.000 0.000 0.320 372 R C -1.144 175.062 176.300 -0.155 0.000 0.956 372 R CA -0.625 55.425 56.100 -0.083 0.000 0.836 372 R CB 0.622 30.878 30.300 -0.073 0.000 1.151 372 R HN 0.266 nan 8.270 nan 0.000 0.450 373 I N 2.868 123.375 120.570 -0.104 0.000 2.354 373 I HA 0.220 4.390 4.170 0.000 0.000 0.292 373 I C 0.009 176.088 176.117 -0.064 0.000 0.989 373 I CA -0.091 61.133 61.300 -0.127 0.000 1.188 373 I CB 2.244 40.203 38.000 -0.067 0.000 1.342 373 I HN 0.508 nan 8.210 nan 0.000 0.457 374 T N 7.144 121.667 114.554 -0.052 0.000 2.733 374 T HA 0.512 4.862 4.350 0.000 0.000 0.294 374 T C 0.271 174.998 174.700 0.045 0.000 0.956 374 T CA -0.473 61.640 62.100 0.021 0.000 0.987 374 T CB 0.087 69.010 68.868 0.092 0.000 0.920 374 T HN 0.244 nan 8.240 nan 0.000 0.470 375 L N 5.048 126.294 121.223 0.039 0.000 2.453 375 L HA 0.239 4.580 4.340 0.000 0.000 0.261 375 L C -1.144 175.767 176.870 0.068 0.000 1.179 375 L CA -2.163 52.708 54.840 0.052 0.000 0.813 375 L CB 0.407 42.481 42.059 0.024 0.000 1.110 375 L HN 0.357 nan 8.230 nan 0.000 0.466 376 P HA -0.172 nan 4.420 nan 0.000 0.217 376 P C 0.698 178.033 177.300 0.058 0.000 1.148 376 P CA 1.230 64.388 63.100 0.095 0.000 0.828 376 P CB -0.036 31.755 31.700 0.153 0.000 0.783 377 N N -1.543 117.185 118.700 0.046 0.000 2.461 377 N HA 0.035 4.775 4.740 0.000 0.000 0.188 377 N C 1.295 176.820 175.510 0.025 0.000 1.134 377 N CA 1.044 54.112 53.050 0.030 0.000 0.878 377 N CB -0.664 37.836 38.487 0.022 0.000 0.972 377 N HN 0.232 nan 8.380 nan 0.000 0.456 378 G N -0.197 108.622 108.800 0.030 0.000 2.232 378 G HA2 -0.267 3.694 3.960 0.000 0.000 0.226 378 G HA3 -0.267 3.694 3.960 0.000 0.000 0.226 378 G C -0.219 174.695 174.900 0.024 0.000 0.996 378 G CA -0.210 44.907 45.100 0.028 0.000 0.626 378 G HN 0.443 nan 8.290 nan 0.000 0.509 379 N N 1.521 120.233 118.700 0.019 0.000 2.492 379 N HA 0.387 5.127 4.740 0.000 0.000 0.262 379 N C 0.036 175.555 175.510 0.016 0.000 1.202 379 N CA 0.529 53.587 53.050 0.014 0.000 0.926 379 N CB 0.624 39.117 38.487 0.009 0.000 1.078 379 N HN 0.469 nan 8.380 nan 0.000 0.454 380 K N 2.444 122.852 120.400 0.014 0.000 2.339 380 K HA 0.448 4.768 4.320 0.000 0.000 0.264 380 K C 0.040 176.651 176.600 0.017 0.000 0.986 380 K CA -0.508 55.786 56.287 0.011 0.000 0.866 380 K CB 1.123 33.629 32.500 0.011 0.000 1.103 380 K HN 0.556 nan 8.250 nan 0.000 0.441 381 I N -0.183 120.397 120.570 0.015 0.000 2.863 381 I HA 0.561 4.731 4.170 0.000 0.000 0.311 381 I C -0.526 175.611 176.117 0.034 0.000 1.026 381 I CA -1.209 60.109 61.300 0.031 0.000 1.077 381 I CB 1.356 39.373 38.000 0.028 0.000 1.262 381 I HN 0.412 nan 8.210 nan 0.000 0.461 382 I N 3.921 124.520 120.570 0.047 0.000 2.354 382 I HA 0.428 4.598 4.170 0.000 0.000 0.292 382 I C -0.726 175.423 176.117 0.053 0.000 0.989 382 I CA -0.926 60.394 61.300 0.034 0.000 1.188 382 I CB 1.932 39.938 38.000 0.009 0.000 1.342 382 I HN 0.326 nan 8.210 nan 0.000 0.457 383 V N 7.262 127.217 119.914 0.068 0.000 2.448 383 V HA 0.427 4.548 4.120 0.000 0.000 0.295 383 V C -0.013 176.117 176.094 0.061 0.000 1.025 383 V CA -0.615 61.741 62.300 0.093 0.000 0.859 383 V CB 1.888 33.824 31.823 0.189 0.000 0.988 383 V HN 0.471 nan 8.190 nan 0.000 0.431 384 L N 3.868 125.115 121.223 0.040 0.000 2.289 384 L HA 0.604 4.945 4.340 0.000 0.000 0.285 384 L C 1.139 178.009 176.870 -0.000 0.000 1.049 384 L CA -0.476 54.368 54.840 0.007 0.000 0.804 384 L CB 1.330 43.396 42.059 0.011 0.000 1.195 384 L HN 0.905 nan 8.230 nan 0.000 0.428 385 A N 3.264 126.051 122.820 -0.055 0.000 2.771 385 A HA -0.275 4.046 4.320 0.000 0.000 0.294 385 A C 1.116 178.750 177.584 0.083 0.000 1.500 385 A CA 1.199 53.193 52.037 -0.072 0.000 0.829 385 A CB -1.599 17.418 19.000 0.029 0.000 0.998 385 A HN 0.943 nan 8.150 nan 0.000 0.526 386 R N -3.251 117.271 120.500 0.036 0.000 3.405 386 R HA -0.216 4.124 4.340 0.000 0.000 0.258 386 R C 1.392 177.643 176.300 -0.082 0.000 1.030 386 R CA 1.142 57.218 56.100 -0.039 0.000 0.691 386 R CB -2.351 27.959 30.300 0.016 0.000 1.093 386 R HN 2.390 nan 8.270 nan 0.000 0.448 387 G N -0.632 108.143 108.800 -0.041 0.000 2.159 387 G HA2 -0.360 3.600 3.960 0.000 0.000 0.256 387 G HA3 -0.360 3.600 3.960 0.000 0.000 0.256 387 G C 0.258 175.151 174.900 -0.013 0.000 0.977 387 G CA 0.638 45.712 45.100 -0.043 0.000 0.652 387 G HN 0.445 nan 8.290 nan 0.000 0.531 388 R N -0.708 119.816 120.500 0.039 0.000 2.700 388 R HA 0.621 4.961 4.340 0.000 0.000 0.253 388 R C 0.945 177.273 176.300 0.047 0.000 1.091 388 R CA -1.082 55.045 56.100 0.046 0.000 1.104 388 R CB 0.605 30.963 30.300 0.096 0.000 1.202 388 R HN 0.165 nan 8.270 nan 0.000 0.532 389 L N 3.698 124.934 121.223 0.022 0.000 2.810 389 L HA -0.158 4.182 4.340 0.000 0.000 0.279 389 L C 1.650 178.529 176.870 0.014 0.000 1.144 389 L CA 0.045 54.884 54.840 -0.002 0.000 0.998 389 L CB -0.317 41.714 42.059 -0.047 0.000 1.342 389 L HN 0.609 nan 8.230 nan 0.000 0.473 390 L N 2.384 123.614 121.223 0.011 0.000 2.156 390 L HA -0.110 4.230 4.340 0.000 0.000 0.208 390 L C 1.922 178.793 176.870 0.001 0.000 1.095 390 L CA 1.780 56.627 54.840 0.011 0.000 0.770 390 L CB -0.825 41.245 42.059 0.020 0.000 0.914 390 L HN 0.707 nan 8.230 nan 0.000 0.439 391 N N 0.111 118.807 118.700 -0.006 0.000 2.244 391 N HA -0.160 4.580 4.740 0.000 0.000 0.183 391 N C 1.764 177.261 175.510 -0.023 0.000 1.016 391 N CA 1.418 54.468 53.050 0.000 0.000 0.866 391 N CB -0.481 38.021 38.487 0.024 0.000 0.980 391 N HN 0.438 nan 8.380 nan 0.000 0.430 392 L N -0.500 120.680 121.223 -0.071 0.000 2.477 392 L HA 0.283 4.623 4.340 0.000 0.000 0.220 392 L C 2.382 179.249 176.870 -0.004 0.000 1.106 392 L CA 0.433 55.217 54.840 -0.094 0.000 0.851 392 L CB 0.094 41.988 42.059 -0.275 0.000 0.994 392 L HN 0.402 nan 8.230 nan 0.000 0.462 393 G N -1.533 107.280 108.800 0.023 0.000 2.490 393 G HA2 -0.121 3.839 3.960 0.000 0.000 0.211 393 G HA3 -0.121 3.839 3.960 0.000 0.000 0.211 393 G C 1.282 176.178 174.900 -0.008 0.000 1.159 393 G CA 0.509 45.640 45.100 0.052 0.000 0.819 393 G HN 0.373 nan 8.290 nan 0.000 0.539 394 C N 0.336 119.628 119.300 -0.013 0.000 2.799 394 C HA 0.747 5.207 4.460 0.000 0.000 0.267 394 C C 1.529 176.523 174.990 0.006 0.000 1.257 394 C CA -0.003 59.004 59.018 -0.020 0.000 1.702 394 C CB -0.790 26.933 27.740 -0.028 0.000 1.934 394 C HN 0.587 nan 8.230 nan 0.000 0.594 395 A N 0.676 123.510 122.820 0.023 0.000 3.434 395 A HA 0.640 4.960 4.320 0.000 0.000 0.247 395 A C 0.650 178.274 177.584 0.067 0.000 1.075 395 A CA 0.685 52.751 52.037 0.048 0.000 0.737 395 A CB -0.302 18.727 19.000 0.048 0.000 1.412 395 A HN 0.281 nan 8.150 nan 0.000 0.691 396 T N -2.229 112.382 114.554 0.094 0.000 3.228 396 T HA 0.520 4.870 4.350 0.000 0.000 0.278 396 T C 1.023 175.773 174.700 0.083 0.000 1.014 396 T CA 1.130 63.294 62.100 0.106 0.000 0.904 396 T CB -0.700 68.263 68.868 0.158 0.000 1.110 396 T HN 2.546 nan 8.240 nan 0.000 0.541 397 G N 2.045 110.874 108.800 0.048 0.000 2.641 397 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 397 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 397 G C -0.569 174.427 174.900 0.161 0.000 1.315 397 G CA -0.495 44.603 45.100 -0.002 0.000 0.907 397 G HN 0.728 nan 8.290 nan 0.000 0.572 398 H N 1.921 121.009 119.070 0.030 0.000 2.929 398 H HA 0.338 4.894 4.556 0.000 0.000 0.358 398 H C -1.348 173.963 175.328 -0.028 0.000 1.111 398 H CA -0.212 55.845 56.048 0.016 0.000 1.409 398 H CB -0.086 29.665 29.762 -0.017 0.000 1.373 398 H HN 0.514 nan 8.280 nan 0.000 0.610 399 P HA 0.063 nan 4.420 nan 0.000 0.274 399 P C 0.241 177.551 177.300 0.016 0.000 1.231 399 P CA -0.174 62.865 63.100 -0.101 0.000 0.790 399 P CB 0.830 32.293 31.700 -0.396 0.000 0.951 400 A N 2.342 125.189 122.820 0.046 0.000 1.917 400 A HA -0.248 4.072 4.320 0.000 0.000 0.219 400 A C 2.008 179.621 177.584 0.047 0.000 1.182 400 A CA 1.627 53.697 52.037 0.055 0.000 0.633 400 A CB -1.829 17.213 19.000 0.070 0.000 0.819 400 A HN 0.586 nan 8.150 nan 0.000 0.448 401 F N 0.198 120.131 119.950 -0.029 0.000 2.171 401 F HA -0.153 4.375 4.527 0.000 0.000 0.300 401 F C 2.250 178.063 175.800 0.021 0.000 1.090 401 F CA 1.857 59.849 58.000 -0.014 0.000 1.293 401 F CB -0.013 38.985 39.000 -0.003 0.000 1.013 401 F HN 0.052 nan 8.300 nan 0.000 0.486 402 V N -0.170 119.860 119.914 0.193 0.000 2.379 402 V HA -0.282 3.839 4.120 0.000 0.000 0.245 402 V C 2.298 178.450 176.094 0.096 0.000 1.044 402 V CA 1.447 63.887 62.300 0.233 0.000 1.036 402 V CB -0.465 31.423 31.823 0.109 0.000 0.664 402 V HN 0.244 nan 8.190 nan 0.000 0.453 403 M N -0.225 119.330 119.600 -0.076 0.000 2.446 403 M HA -0.090 4.390 4.480 0.000 0.000 0.263 403 M C 2.383 178.426 176.300 -0.428 0.000 1.066 403 M CA 1.331 56.395 55.300 -0.393 0.000 1.087 403 M CB -1.691 30.599 32.600 -0.516 0.000 1.406 403 M HN 0.430 nan 8.290 nan 0.000 0.459 404 S N 0.062 115.611 115.700 -0.252 0.000 2.382 404 S HA -0.095 4.375 4.470 0.000 0.000 0.228 404 S C 1.811 176.284 174.600 -0.213 0.000 1.027 404 S CA 1.046 59.114 58.200 -0.219 0.000 0.991 404 S CB -0.170 62.834 63.200 -0.327 0.000 0.823 404 S HN 0.396 nan 8.310 nan 0.000 0.469 405 F N 1.731 121.576 119.950 -0.176 0.000 2.102 405 F HA -0.050 4.477 4.527 0.000 0.000 0.298 405 F C 2.922 178.704 175.800 -0.031 0.000 1.105 405 F CA 1.377 59.311 58.000 -0.111 0.000 1.239 405 F CB -0.765 38.195 39.000 -0.067 0.000 0.991 405 F HN 0.160 nan 8.300 nan 0.000 0.474 406 S N 0.053 115.814 115.700 0.102 0.000 2.356 406 S HA -0.162 4.309 4.470 0.000 0.000 0.223 406 S C 1.749 176.461 174.600 0.186 0.000 1.032 406 S CA 1.179 59.414 58.200 0.058 0.000 1.005 406 S CB -0.615 62.529 63.200 -0.094 0.000 0.867 406 S HN 0.177 nan 8.310 nan 0.000 0.449 407 F N 1.010 120.994 119.950 0.057 0.000 2.502 407 F HA 0.031 4.558 4.527 0.000 0.000 0.298 407 F C 2.456 178.225 175.800 -0.052 0.000 1.111 407 F CA -1.016 56.992 58.000 0.013 0.000 1.445 407 F CB -1.530 37.468 39.000 -0.003 0.000 1.081 407 F HN 0.261 nan 8.300 nan 0.000 0.558 408 C N 0.001 119.373 119.300 0.120 0.000 2.466 408 C HA -0.126 4.334 4.460 0.000 0.000 0.278 408 C C 2.529 177.470 174.990 -0.082 0.000 1.288 408 C CA 0.946 59.919 59.018 -0.075 0.000 1.722 408 C CB -1.369 26.385 27.740 0.022 0.000 2.017 408 C HN 0.464 nan 8.230 nan 0.000 0.488 409 N N 0.116 118.886 118.700 0.118 0.000 2.244 409 N HA -0.145 4.595 4.740 0.000 0.000 0.183 409 N C 1.944 177.543 175.510 0.149 0.000 1.016 409 N CA 0.901 54.061 53.050 0.183 0.000 0.866 409 N CB -0.135 38.443 38.487 0.152 0.000 0.980 409 N HN 0.495 nan 8.380 nan 0.000 0.430 410 Q N 0.146 120.029 119.800 0.138 0.000 2.050 410 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 410 Q C 1.955 177.988 176.000 0.056 0.000 0.980 410 Q CA 1.395 57.273 55.803 0.125 0.000 0.840 410 Q CB -0.624 28.224 28.738 0.182 0.000 0.898 410 Q HN 0.417 nan 8.270 nan 0.000 0.424 411 T N 0.877 115.413 114.554 -0.032 0.000 2.746 411 T HA -0.099 4.251 4.350 0.000 0.000 0.267 411 T C 1.689 176.344 174.700 -0.075 0.000 1.039 411 T CA 1.087 63.112 62.100 -0.124 0.000 1.142 411 T CB -0.427 68.277 68.868 -0.273 0.000 0.866 411 T HN 0.246 nan 8.240 nan 0.000 0.444 412 F N 1.176 121.116 119.950 -0.017 0.000 2.234 412 F HA -0.026 4.501 4.527 0.000 0.000 0.299 412 F C 2.712 178.513 175.800 0.000 0.000 1.087 412 F CA 0.350 58.328 58.000 -0.037 0.000 1.340 412 F CB -0.224 38.762 39.000 -0.023 0.000 1.031 412 F HN 0.154 nan 8.300 nan 0.000 0.500 413 A N -0.336 122.603 122.820 0.198 0.000 1.898 413 A HA -0.175 4.145 4.320 0.000 0.000 0.216 413 A C 2.155 179.798 177.584 0.099 0.000 1.181 413 A CA 1.135 53.246 52.037 0.123 0.000 0.620 413 A CB -0.499 18.555 19.000 0.090 0.000 0.819 413 A HN 0.252 nan 8.150 nan 0.000 0.442 414 Q N -0.547 119.303 119.800 0.083 0.000 2.119 414 Q HA -0.069 4.272 4.340 0.000 0.000 0.201 414 Q C 2.118 178.190 176.000 0.120 0.000 0.972 414 Q CA 0.781 56.629 55.803 0.074 0.000 0.847 414 Q CB -0.434 28.319 28.738 0.025 0.000 0.903 414 Q HN 0.504 nan 8.270 nan 0.000 0.433 415 L N 0.920 122.208 121.223 0.109 0.000 2.017 415 L HA -0.190 4.150 4.340 0.000 0.000 0.208 415 L C 1.960 178.952 176.870 0.203 0.000 1.073 415 L CA 1.860 56.783 54.840 0.139 0.000 0.745 415 L CB -1.143 40.956 42.059 0.067 0.000 0.894 415 L HN 0.223 nan 8.230 nan 0.000 0.432 416 D N -0.776 119.737 120.400 0.189 0.000 2.144 416 D HA -0.189 4.451 4.640 0.000 0.000 0.200 416 D C 2.155 178.607 176.300 0.253 0.000 0.978 416 D CA 0.606 54.730 54.000 0.207 0.000 0.833 416 D CB 0.232 41.161 40.800 0.216 0.000 0.961 416 D HN 0.025 nan 8.370 nan 0.000 0.470 417 L N 0.158 121.510 121.223 0.215 0.000 2.056 417 L HA -0.050 4.290 4.340 0.000 0.000 0.207 417 L C 1.940 178.944 176.870 0.223 0.000 1.078 417 L CA 1.363 56.317 54.840 0.190 0.000 0.749 417 L CB -0.846 41.268 42.059 0.092 0.000 0.901 417 L HN 0.390 nan 8.230 nan 0.000 0.433 418 W N -0.090 121.237 121.300 0.044 0.000 2.436 418 W HA -0.176 4.485 4.660 0.000 0.000 0.284 418 W C 1.982 178.523 176.519 0.036 0.000 1.225 418 W CA 1.025 58.386 57.345 0.026 0.000 1.271 418 W CB 0.002 29.469 29.460 0.013 0.000 1.114 418 W HN 0.292 nan 8.180 nan 0.000 0.559 419 Q N -0.218 119.671 119.800 0.148 0.000 2.435 419 Q HA -0.075 4.266 4.340 0.000 0.000 0.207 419 Q C 0.912 176.887 176.000 -0.041 0.000 0.956 419 Q CA 0.755 56.579 55.803 0.035 0.000 0.917 419 Q CB -0.029 28.787 28.738 0.129 0.000 0.997 419 Q HN 0.167 nan 8.270 nan 0.000 0.497 420 N N 0.247 118.939 118.700 -0.013 0.000 2.275 420 N HA 0.015 4.755 4.740 0.000 0.000 0.236 420 N C 0.576 176.052 175.510 -0.058 0.000 1.154 420 N CA 0.115 53.139 53.050 -0.043 0.000 0.866 420 N CB 0.599 39.065 38.487 -0.036 0.000 1.093 420 N HN 0.315 nan 8.380 nan 0.000 0.515 421 K N -0.196 120.124 120.400 -0.133 0.000 2.211 421 K HA -0.006 4.314 4.320 0.000 0.000 0.203 421 K C 0.122 176.635 176.600 -0.144 0.000 1.050 421 K CA 1.127 57.322 56.287 -0.153 0.000 0.945 421 K CB 0.179 32.486 32.500 -0.322 0.000 0.732 421 K HN -0.196 nan 8.250 nan 0.000 0.451 422 D N 1.579 121.882 120.400 -0.161 0.000 2.342 422 D HA 0.018 4.658 4.640 0.000 0.000 0.221 422 D C 0.239 176.487 176.300 -0.087 0.000 1.101 422 D CA 0.462 54.388 54.000 -0.123 0.000 0.837 422 D CB 0.653 41.372 40.800 -0.135 0.000 0.938 422 D HN 0.478 nan 8.370 nan 0.000 0.508 423 T N -2.029 112.475 114.554 -0.083 0.000 2.841 423 T HA 0.342 4.693 4.350 0.000 0.000 0.276 423 T C 0.356 175.017 174.700 -0.066 0.000 1.003 423 T CA -1.014 61.039 62.100 -0.077 0.000 0.995 423 T CB 1.149 69.958 68.868 -0.098 0.000 1.260 423 T HN 0.079 nan 8.240 nan 0.000 0.581 424 N N -0.891 117.766 118.700 -0.071 0.000 2.535 424 N HA 0.207 4.947 4.740 0.000 0.000 0.294 424 N C 0.936 176.388 175.510 -0.097 0.000 1.408 424 N CA -0.788 52.231 53.050 -0.052 0.000 0.927 424 N CB 0.568 39.039 38.487 -0.026 0.000 1.276 424 N HN 0.574 nan 8.380 nan 0.000 0.505 425 K N 0.514 120.793 120.400 -0.202 0.000 2.167 425 K HA -0.024 4.297 4.320 0.000 0.000 0.203 425 K C -0.506 175.772 176.600 -0.536 0.000 1.052 425 K CA 0.786 56.831 56.287 -0.403 0.000 0.956 425 K CB 0.184 32.314 32.500 -0.617 0.000 0.735 425 K HN 0.301 nan 8.250 nan 0.000 0.451 426 Y N 1.098 121.280 120.300 -0.197 0.000 2.376 426 Y HA 0.257 4.807 4.550 0.000 0.000 0.340 426 Y C -0.055 175.843 175.900 -0.002 0.000 0.965 426 Y CA -1.274 56.641 58.100 -0.309 0.000 1.078 426 Y CB 2.043 40.285 38.460 -0.363 0.000 1.193 426 Y HN -0.017 nan 8.280 nan 0.000 0.452 427 E N 0.867 121.307 120.200 0.400 0.000 2.803 427 E HA 0.247 4.597 4.350 0.000 0.000 0.250 427 E C -0.686 176.114 176.600 0.334 0.000 1.102 427 E CA -1.085 55.504 56.400 0.314 0.000 1.017 427 E CB 0.546 30.411 29.700 0.275 0.000 1.346 427 E HN 0.483 nan 8.360 nan 0.000 0.532 428 N N 1.605 120.432 118.700 0.211 0.000 3.245 428 N HA 0.137 4.877 4.740 0.000 0.000 0.296 428 N C -1.074 174.502 175.510 0.109 0.000 1.254 428 N CA 0.331 53.477 53.050 0.159 0.000 1.190 428 N CB -0.018 38.523 38.487 0.090 0.000 1.460 428 N HN 0.224 nan 8.380 nan 0.000 0.538 429 K N -1.079 119.416 120.400 0.157 0.000 2.439 429 K HA 0.514 4.834 4.320 0.000 0.000 0.260 429 K C -0.826 175.734 176.600 -0.066 0.000 1.032 429 K CA -0.941 55.320 56.287 -0.044 0.000 0.882 429 K CB 1.758 34.111 32.500 -0.244 0.000 1.420 429 K HN -0.216 nan 8.250 nan 0.000 0.455 430 V N 2.278 122.075 119.914 -0.195 0.000 2.406 430 V HA 0.291 4.411 4.120 0.000 0.000 0.272 430 V C -1.029 174.912 176.094 -0.254 0.000 1.043 430 V CA -0.266 61.967 62.300 -0.111 0.000 0.915 430 V CB -0.168 31.606 31.823 -0.080 0.000 0.988 430 V HN 0.514 nan 8.190 nan 0.000 0.466 431 Y N 4.476 124.779 120.300 0.004 0.000 2.650 431 Y HA 0.787 5.337 4.550 0.000 0.000 0.331 431 Y C -0.246 175.669 175.900 0.025 0.000 1.082 431 Y CA -1.178 56.948 58.100 0.043 0.000 1.171 431 Y CB 1.433 39.950 38.460 0.094 0.000 1.326 431 Y HN 0.341 nan 8.280 nan 0.000 0.513 432 L N 0.827 122.192 121.223 0.236 0.000 2.354 432 L HA 0.494 4.834 4.340 0.000 0.000 0.264 432 L C -0.872 176.085 176.870 0.145 0.000 1.008 432 L CA -0.674 54.248 54.840 0.138 0.000 0.819 432 L CB 1.673 43.787 42.059 0.093 0.000 1.339 432 L HN 0.431 nan 8.230 nan 0.000 0.420 433 L N 3.995 125.273 121.223 0.091 0.000 2.426 433 L HA 0.313 4.653 4.340 0.000 0.000 0.271 433 L C -1.656 175.232 176.870 0.031 0.000 1.169 433 L CA -1.510 53.369 54.840 0.064 0.000 0.836 433 L CB 0.302 42.383 42.059 0.036 0.000 1.112 433 L HN 0.469 nan 8.230 nan 0.000 0.465 434 P HA -0.020 nan 4.420 nan 0.000 0.268 434 P C 0.073 177.336 177.300 -0.061 0.000 1.208 434 P CA -0.397 62.712 63.100 0.015 0.000 0.777 434 P CB 0.870 32.625 31.700 0.092 0.000 0.875 435 K N 1.156 121.568 120.400 0.020 0.000 2.063 435 K HA -0.178 4.143 4.320 0.000 0.000 0.208 435 K C 2.083 178.666 176.600 -0.027 0.000 1.048 435 K CA 1.694 57.992 56.287 0.018 0.000 0.928 435 K CB -0.911 31.629 32.500 0.066 0.000 0.713 435 K HN 0.698 nan 8.250 nan 0.000 0.442 436 H N 0.064 119.109 119.070 -0.042 0.000 2.421 436 H HA -0.076 4.480 4.556 0.000 0.000 0.298 436 H C 2.061 177.338 175.328 -0.085 0.000 1.087 436 H CA 0.998 57.005 56.048 -0.069 0.000 1.330 436 H CB -0.574 29.138 29.762 -0.083 0.000 1.388 436 H HN 0.120 nan 8.280 nan 0.000 0.526 437 L N 0.511 121.238 121.223 -0.826 0.000 2.093 437 L HA -0.137 4.204 4.340 0.000 0.000 0.208 437 L C 2.427 179.160 176.870 -0.229 0.000 1.085 437 L CA 1.218 55.692 54.840 -0.611 0.000 0.755 437 L CB -0.343 41.346 42.059 -0.617 0.000 0.904 437 L HN 0.185 nan 8.230 nan 0.000 0.435 438 D N 0.198 120.508 120.400 -0.149 0.000 2.117 438 D HA -0.182 4.458 4.640 0.000 0.000 0.197 438 D C 2.115 178.404 176.300 -0.019 0.000 0.987 438 D CA 1.194 55.154 54.000 -0.067 0.000 0.829 438 D CB 0.110 40.857 40.800 -0.089 0.000 0.961 438 D HN 0.368 nan 8.370 nan 0.000 0.460 439 E N 0.304 120.503 120.200 -0.003 0.000 2.106 439 E HA -0.144 4.207 4.350 0.000 0.000 0.192 439 E C 2.001 178.631 176.600 0.049 0.000 0.984 439 E CA 0.518 56.962 56.400 0.074 0.000 0.806 439 E CB 0.084 29.850 29.700 0.110 0.000 0.750 439 E HN 0.192 nan 8.360 nan 0.000 0.458 440 K N 1.056 121.428 120.400 -0.047 0.000 2.002 440 K HA -0.159 4.161 4.320 0.000 0.000 0.209 440 K C 2.163 178.561 176.600 -0.337 0.000 1.048 440 K CA 1.267 57.444 56.287 -0.182 0.000 0.930 440 K CB -0.046 32.319 32.500 -0.225 0.000 0.714 440 K HN -0.050 nan 8.250 nan 0.000 0.438 441 V N 1.383 121.229 119.914 -0.113 0.000 2.282 441 V HA -0.307 3.813 4.120 0.000 0.000 0.249 441 V C 2.456 178.740 176.094 0.317 0.000 1.057 441 V CA 2.125 64.472 62.300 0.077 0.000 1.032 441 V CB -0.868 31.108 31.823 0.255 0.000 0.645 441 V HN 0.518 nan 8.190 nan 0.000 0.447 442 A N -0.484 122.531 122.820 0.325 0.000 1.908 442 A HA -0.196 4.124 4.320 0.000 0.000 0.218 442 A C 2.246 180.070 177.584 0.400 0.000 1.181 442 A CA 1.979 54.293 52.037 0.462 0.000 0.627 442 A CB -0.618 18.582 19.000 0.332 0.000 0.818 442 A HN 0.499 nan 8.150 nan 0.000 0.445 443 L N -1.504 119.867 121.223 0.247 0.000 2.079 443 L HA -0.228 4.112 4.340 0.000 0.000 0.210 443 L C 2.464 179.541 176.870 0.345 0.000 1.081 443 L CA 1.198 56.188 54.840 0.250 0.000 0.752 443 L CB -0.537 41.637 42.059 0.192 0.000 0.896 443 L HN 0.468 nan 8.230 nan 0.000 0.433 444 Y N -0.914 119.491 120.300 0.175 0.000 2.403 444 Y HA -0.196 4.354 4.550 0.000 0.000 0.291 444 Y C 2.520 178.327 175.900 -0.155 0.000 1.143 444 Y CA 0.639 58.730 58.100 -0.016 0.000 1.257 444 Y CB -0.879 37.502 38.460 -0.131 0.000 0.984 444 Y HN 0.357 nan 8.280 nan 0.000 0.550 445 H N -2.077 117.126 119.070 0.222 0.000 2.575 445 H HA 0.063 4.619 4.556 0.000 0.000 0.267 445 H C 1.795 177.283 175.328 0.265 0.000 0.966 445 H CA -0.002 56.153 56.048 0.179 0.000 1.165 445 H CB 0.350 30.157 29.762 0.076 0.000 1.433 445 H HN 0.219 nan 8.280 nan 0.000 0.544 446 L N 1.524 122.938 121.223 0.318 0.000 2.046 446 L HA -0.162 4.178 4.340 0.000 0.000 0.208 446 L C 2.278 179.245 176.870 0.162 0.000 1.077 446 L CA 1.660 56.636 54.840 0.227 0.000 0.747 446 L CB -0.394 41.779 42.059 0.190 0.000 0.896 446 L HN 0.079 nan 8.230 nan 0.000 0.432 447 K N -0.707 119.776 120.400 0.137 0.000 2.026 447 K HA -0.239 4.081 4.320 0.000 0.000 0.208 447 K C 2.119 178.771 176.600 0.086 0.000 1.048 447 K CA 1.430 57.771 56.287 0.090 0.000 0.929 447 K CB -0.180 32.359 32.500 0.065 0.000 0.713 447 K HN 0.003 nan 8.250 nan 0.000 0.439 448 K N 1.444 121.919 120.400 0.124 0.000 2.211 448 K HA -0.087 4.233 4.320 0.000 0.000 0.204 448 K C 1.394 178.036 176.600 0.070 0.000 1.047 448 K CA 1.203 57.566 56.287 0.128 0.000 0.935 448 K CB -0.013 32.650 32.500 0.272 0.000 0.728 448 K HN 0.087 nan 8.250 nan 0.000 0.452 449 L N 0.621 121.900 121.223 0.092 0.000 2.592 449 L HA 0.128 4.469 4.340 0.000 0.000 0.227 449 L C -0.150 176.723 176.870 0.005 0.000 1.127 449 L CA -0.130 54.716 54.840 0.010 0.000 0.884 449 L CB -0.327 41.759 42.059 0.045 0.000 1.065 449 L HN 0.257 nan 8.230 nan 0.000 0.457 450 N N 0.367 119.082 118.700 0.024 0.000 2.735 450 N HA -0.171 4.570 4.740 0.000 0.000 0.248 450 N C 0.105 175.627 175.510 0.019 0.000 1.083 450 N CA 0.886 53.945 53.050 0.016 0.000 0.703 450 N CB -0.838 37.647 38.487 -0.004 0.000 1.005 450 N HN 0.379 nan 8.380 nan 0.000 0.550 451 A N 0.194 123.037 122.820 0.039 0.000 2.260 451 A HA 0.554 4.875 4.320 0.000 0.000 0.314 451 A C 0.339 177.950 177.584 0.045 0.000 1.257 451 A CA -0.255 51.805 52.037 0.039 0.000 0.871 451 A CB 0.839 19.871 19.000 0.053 0.000 1.166 451 A HN 0.123 nan 8.150 nan 0.000 0.522 452 S N 2.244 117.963 115.700 0.031 0.000 2.411 452 S HA 0.369 4.839 4.470 0.000 0.000 0.294 452 S C -0.174 174.442 174.600 0.027 0.000 1.115 452 S CA -0.296 57.923 58.200 0.031 0.000 1.071 452 S CB 0.235 63.447 63.200 0.020 0.000 0.967 452 S HN 0.631 nan 8.310 nan 0.000 0.488 453 L N 4.055 125.301 121.223 0.037 0.000 2.371 453 L HA 0.365 4.705 4.340 0.000 0.000 0.272 453 L C 0.451 177.326 176.870 0.009 0.000 1.124 453 L CA 0.491 55.345 54.840 0.023 0.000 0.816 453 L CB 0.930 43.017 42.059 0.046 0.000 1.129 453 L HN 0.473 nan 8.230 nan 0.000 0.448 454 T N 3.868 118.410 114.554 -0.020 0.000 2.845 454 T HA 0.251 4.601 4.350 0.000 0.000 0.288 454 T C -0.271 174.415 174.700 -0.023 0.000 0.980 454 T CA -0.525 61.563 62.100 -0.021 0.000 1.071 454 T CB 0.628 69.475 68.868 -0.035 0.000 0.941 454 T HN 0.414 nan 8.240 nan 0.000 0.487 455 E N 2.189 122.392 120.200 0.005 0.000 2.259 455 E HA 0.182 4.532 4.350 0.000 0.000 0.281 455 E C -0.356 176.258 176.600 0.023 0.000 1.037 455 E CA -0.606 55.811 56.400 0.028 0.000 0.854 455 E CB 1.136 30.860 29.700 0.041 0.000 1.051 455 E HN 0.323 nan 8.360 nan 0.000 0.409 456 L N 3.601 124.851 121.223 0.045 0.000 2.416 456 L HA 0.041 4.381 4.340 0.000 0.000 0.272 456 L C 0.301 177.208 176.870 0.061 0.000 1.161 456 L CA 0.436 55.308 54.840 0.054 0.000 0.845 456 L CB 0.581 42.710 42.059 0.115 0.000 1.119 456 L HN 0.420 nan 8.230 nan 0.000 0.464 457 D N 1.187 121.615 120.400 0.047 0.000 2.383 457 D HA 0.090 4.730 4.640 0.000 0.000 0.248 457 D C 0.658 176.989 176.300 0.052 0.000 1.170 457 D CA -0.178 53.846 54.000 0.040 0.000 0.977 457 D CB 0.986 41.800 40.800 0.023 0.000 1.120 457 D HN 0.588 nan 8.370 nan 0.000 0.481 458 D N 0.011 120.436 120.400 0.043 0.000 2.104 458 D HA -0.151 4.489 4.640 0.000 0.000 0.194 458 D C 1.370 177.703 176.300 0.054 0.000 0.994 458 D CA 0.987 55.014 54.000 0.046 0.000 0.830 458 D CB -0.071 40.750 40.800 0.034 0.000 0.959 458 D HN 0.354 nan 8.370 nan 0.000 0.452 459 N N 0.699 119.426 118.700 0.044 0.000 2.142 459 N HA -0.124 4.616 4.740 0.000 0.000 0.186 459 N C 1.839 177.403 175.510 0.089 0.000 1.023 459 N CA 0.717 53.798 53.050 0.051 0.000 0.852 459 N CB -0.235 38.261 38.487 0.014 0.000 0.998 459 N HN 0.410 nan 8.380 nan 0.000 0.424 460 Q N 0.233 120.078 119.800 0.075 0.000 2.124 460 Q HA -0.056 4.285 4.340 0.000 0.000 0.202 460 Q C 2.310 178.408 176.000 0.163 0.000 0.977 460 Q CA 1.065 56.937 55.803 0.114 0.000 0.850 460 Q CB -0.132 28.648 28.738 0.069 0.000 0.901 460 Q HN 0.399 nan 8.270 nan 0.000 0.429 461 C N 0.424 119.798 119.300 0.124 0.000 2.432 461 C HA -0.160 4.300 4.460 0.000 0.000 0.277 461 C C 2.708 177.762 174.990 0.106 0.000 1.249 461 C CA 0.936 60.024 59.018 0.118 0.000 1.725 461 C CB -0.818 26.977 27.740 0.092 0.000 2.028 461 C HN 0.573 nan 8.230 nan 0.000 0.477 462 Q N -0.633 119.232 119.800 0.107 0.000 2.119 462 Q HA -0.207 4.133 4.340 0.000 0.000 0.201 462 Q C 2.062 178.131 176.000 0.114 0.000 0.972 462 Q CA 1.587 57.446 55.803 0.092 0.000 0.847 462 Q CB -0.296 28.495 28.738 0.088 0.000 0.903 462 Q HN 0.685 nan 8.270 nan 0.000 0.433 463 F N 0.871 120.831 119.950 0.018 0.000 2.102 463 F HA -0.163 4.365 4.527 0.000 0.000 0.298 463 F C 1.737 177.547 175.800 0.016 0.000 1.105 463 F CA 1.350 59.359 58.000 0.015 0.000 1.239 463 F CB -0.158 38.849 39.000 0.013 0.000 0.991 463 F HN 0.040 nan 8.300 nan 0.000 0.474 464 L N -0.166 121.094 121.223 0.062 0.000 2.291 464 L HA 0.102 4.442 4.340 0.000 0.000 0.214 464 L C 1.497 178.334 176.870 -0.056 0.000 1.120 464 L CA 0.736 55.557 54.840 -0.031 0.000 0.799 464 L CB -1.169 40.947 42.059 0.095 0.000 0.925 464 L HN 0.426 nan 8.230 nan 0.000 0.446 465 G N 1.163 109.949 108.800 -0.023 0.000 2.289 465 G HA2 -0.190 3.770 3.960 0.000 0.000 0.280 465 G HA3 -0.190 3.770 3.960 0.000 0.000 0.280 465 G C -0.080 174.816 174.900 -0.008 0.000 1.089 465 G CA 0.315 45.399 45.100 -0.026 0.000 0.939 465 G HN 0.327 nan 8.290 nan 0.000 0.499 466 V N -3.478 116.449 119.914 0.022 0.000 3.130 466 V HA 0.783 4.903 4.120 0.000 0.000 0.310 466 V C 0.230 176.332 176.094 0.014 0.000 1.158 466 V CA -1.448 60.858 62.300 0.011 0.000 1.029 466 V CB 2.024 33.880 31.823 0.054 0.000 1.057 466 V HN 0.350 nan 8.190 nan 0.000 0.436 467 N N 0.919 119.591 118.700 -0.047 0.000 2.513 467 N HA 0.200 4.940 4.740 0.000 0.000 0.274 467 N C 0.598 176.108 175.510 -0.001 0.000 1.189 467 N CA -0.193 52.834 53.050 -0.039 0.000 0.975 467 N CB 1.754 40.190 38.487 -0.086 0.000 1.157 467 N HN 0.935 nan 8.380 nan 0.000 0.465 468 K N 0.752 121.188 120.400 0.060 0.000 2.442 468 K HA 0.007 4.327 4.320 0.000 0.000 0.198 468 K C 0.741 177.447 176.600 0.176 0.000 1.044 468 K CA 0.930 57.308 56.287 0.152 0.000 0.948 468 K CB 0.215 32.781 32.500 0.109 0.000 0.762 468 K HN 0.387 nan 8.250 nan 0.000 0.472 469 S N -0.442 115.263 115.700 0.009 0.000 2.523 469 S HA 0.252 4.723 4.470 0.000 0.000 0.217 469 S C 0.224 174.622 174.600 -0.337 0.000 0.996 469 S CA 0.104 58.288 58.200 -0.027 0.000 0.921 469 S CB 1.091 64.279 63.200 -0.020 0.000 0.829 469 S HN 0.628 nan 8.310 nan 0.000 0.495 470 G N 2.191 110.536 108.800 -0.759 0.000 2.655 470 G HA2 -0.067 3.893 3.960 0.000 0.000 0.680 470 G HA3 -0.067 3.893 3.960 0.000 0.000 0.680 470 G C -3.323 171.292 174.900 -0.476 0.000 1.302 470 G CA -1.362 43.031 45.100 -1.179 0.000 0.872 470 G HN 0.140 nan 8.290 nan 0.000 0.540 471 P HA 0.445 nan 4.420 nan 0.000 0.269 471 P C 0.315 177.358 177.300 -0.430 0.000 1.215 471 P CA -0.052 62.851 63.100 -0.328 0.000 0.780 471 P CB 0.134 31.781 31.700 -0.088 0.000 0.898 472 F N -0.470 119.489 119.950 0.014 0.000 2.731 472 F HA 0.188 4.715 4.527 0.000 0.000 0.298 472 F C 1.240 176.968 175.800 -0.119 0.000 1.106 472 F CA 0.339 58.319 58.000 -0.034 0.000 1.329 472 F CB 0.279 39.267 39.000 -0.020 0.000 1.100 472 F HN 0.007 nan 8.300 nan 0.000 0.592 473 K N 0.294 120.702 120.400 0.012 0.000 2.395 473 K HA 0.455 4.775 4.320 0.000 0.000 0.245 473 K C -0.052 176.519 176.600 -0.047 0.000 1.017 473 K CA -0.527 55.657 56.287 -0.172 0.000 0.852 473 K CB 1.670 33.901 32.500 -0.448 0.000 1.311 473 K HN -0.028 nan 8.250 nan 0.000 0.452 474 S N -0.108 115.574 115.700 -0.030 0.000 2.645 474 S HA 0.196 4.666 4.470 0.000 0.000 0.266 474 S C 0.804 175.454 174.600 0.084 0.000 1.258 474 S CA -0.457 57.761 58.200 0.030 0.000 0.990 474 S CB 0.642 63.862 63.200 0.033 0.000 0.967 474 S HN 0.445 nan 8.310 nan 0.000 0.556 475 N N 0.918 119.663 118.700 0.076 0.000 2.364 475 N HA -0.080 4.661 4.740 0.000 0.000 0.183 475 N C 0.870 176.440 175.510 0.099 0.000 1.022 475 N CA 1.069 54.175 53.050 0.093 0.000 0.883 475 N CB -0.300 38.227 38.487 0.067 0.000 0.965 475 N HN 0.670 nan 8.380 nan 0.000 0.438 476 E N -0.468 119.783 120.200 0.083 0.000 2.478 476 E HA 0.000 4.350 4.350 0.000 0.000 0.194 476 E C -0.148 176.490 176.600 0.065 0.000 1.045 476 E CA -0.194 56.243 56.400 0.062 0.000 0.868 476 E CB -0.232 29.491 29.700 0.038 0.000 0.885 476 E HN 0.297 nan 8.360 nan 0.000 0.505 477 Y N 1.620 121.886 120.300 -0.057 0.000 2.717 477 Y HA -0.102 4.448 4.550 0.000 0.000 0.330 477 Y C 1.049 176.878 175.900 -0.119 0.000 1.217 477 Y CA 0.505 58.504 58.100 -0.168 0.000 1.506 477 Y CB 0.470 38.711 38.460 -0.365 0.000 1.268 477 Y HN -0.108 nan 8.280 nan 0.000 0.561 478 R N 3.770 123.905 120.500 -0.608 0.000 2.280 478 R HA 0.037 4.377 4.340 0.000 0.000 0.195 478 R C -0.481 175.690 176.300 -0.215 0.000 0.935 478 R CA 0.114 56.028 56.100 -0.310 0.000 1.033 478 R CB -0.118 30.028 30.300 -0.257 0.000 0.964 478 R HN 0.819 nan 8.270 nan 0.000 0.489 479 Y N 0.000 119.937 120.300 -0.605 0.000 2.660 479 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 479 Y CA 0.000 58.016 58.100 -0.140 0.000 1.940 479 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758