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 1ro6_1_A DATA FIRST_RESID 152 DATA SEQUENCE SISRFGVNTE NEDHLAKELE DLNKWGLNIF NVAGYSHNRP LTCIMYAIFQ DATA SEQUENCE ERDLLKTFRI SSDTFITYMM TLEDHYHSDV AYHNSLHAAD VAQSTHVLLS DATA SEQUENCE TPALDAVFTD LEILAAIFAA AIHDVDHPGV SNQFLINTNS ELALMYNDES DATA SEQUENCE VLENHHLAVG FKLLQEEHCD IFMNLTKKQR QTLRKMVIDM VLATDMSKHM DATA SEQUENCE SLLADLKTMV ETKKVTSSGV LLLDNYTDRI QVLRNMVHCA DLSNPTKSLE DATA SEQUENCE LYRQWTDRIM EEFFQQGDKE RERGMEISPM CDKHTASVEK SQVGFIDYIV DATA SEQUENCE HPLWETWADL VQPDAQDILD TLEDNRNWYQ SMIPQAPAPP LDEQ 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 152 S HA 0.000 nan 4.470 nan 0.000 0.327 152 S C 0.000 174.718 174.600 0.197 0.000 1.055 152 S CA 0.000 58.273 58.200 0.121 0.000 1.107 152 S CB 0.000 63.233 63.200 0.055 0.000 0.593 153 I N 3.767 124.461 120.570 0.206 0.000 2.335 153 I HA -0.105 4.066 4.170 0.000 0.000 0.251 153 I C 2.692 178.939 176.117 0.217 0.000 1.129 153 I CA 2.139 63.579 61.300 0.233 0.000 1.402 153 I CB -1.446 36.629 38.000 0.125 0.000 1.069 153 I HN 0.845 nan 8.210 nan 0.000 0.424 154 S N 0.714 116.490 115.700 0.128 0.000 2.423 154 S HA -0.129 4.341 4.470 0.000 0.000 0.231 154 S C 2.053 176.683 174.600 0.050 0.000 1.014 154 S CA 0.464 58.715 58.200 0.084 0.000 0.965 154 S CB -0.161 63.069 63.200 0.050 0.000 0.785 154 S HN 0.301 nan 8.310 nan 0.000 0.495 155 R N 0.372 120.873 120.500 0.002 0.000 2.092 155 R HA 0.112 4.452 4.340 0.000 0.000 0.231 155 R C 1.605 177.792 176.300 -0.189 0.000 1.119 155 R CA 1.062 57.073 56.100 -0.147 0.000 0.970 155 R CB -1.060 29.056 30.300 -0.307 0.000 0.864 155 R HN 0.575 nan 8.270 nan 0.000 0.440 156 F N 0.035 119.980 119.950 -0.008 0.000 2.661 156 F HA 0.128 4.655 4.527 0.000 0.000 0.298 156 F C 1.619 177.493 175.800 0.123 0.000 1.137 156 F CA 0.893 58.917 58.000 0.041 0.000 1.454 156 F CB -0.195 38.829 39.000 0.040 0.000 1.103 156 F HN 0.240 nan 8.300 nan 0.000 0.577 157 G N 0.899 109.838 108.800 0.232 0.000 2.225 157 G HA2 -0.271 3.689 3.960 0.000 0.000 0.267 157 G HA3 -0.271 3.689 3.960 0.000 0.000 0.267 157 G C -0.028 175.079 174.900 0.344 0.000 1.024 157 G CA 0.228 45.443 45.100 0.192 0.000 0.784 157 G HN 0.178 nan 8.290 nan 0.000 0.507 158 V N 1.419 121.509 119.914 0.294 0.000 2.432 158 V HA 0.454 4.574 4.120 0.000 0.000 0.275 158 V C 0.687 176.854 176.094 0.121 0.000 1.043 158 V CA -0.462 61.950 62.300 0.187 0.000 0.925 158 V CB 1.298 33.176 31.823 0.093 0.000 0.985 158 V HN 0.657 nan 8.190 nan 0.000 0.466 159 N N 2.626 121.385 118.700 0.098 0.000 2.408 159 N HA 0.134 4.874 4.740 0.000 0.000 0.260 159 N C 1.264 176.789 175.510 0.024 0.000 1.242 159 N CA 0.016 53.104 53.050 0.063 0.000 0.959 159 N CB 0.225 38.751 38.487 0.065 0.000 1.201 159 N HN 0.640 nan 8.380 nan 0.000 0.511 160 T N -3.304 111.255 114.554 0.008 0.000 2.759 160 T HA -0.241 4.109 4.350 0.000 0.000 0.269 160 T C 1.268 175.932 174.700 -0.060 0.000 1.042 160 T CA 1.395 63.482 62.100 -0.022 0.000 1.140 160 T CB -0.478 68.378 68.868 -0.021 0.000 0.864 160 T HN 0.628 nan 8.240 nan 0.000 0.455 161 E N 1.449 121.619 120.200 -0.050 0.000 2.038 161 E HA -0.196 4.154 4.350 0.000 0.000 0.195 161 E C 2.080 178.607 176.600 -0.122 0.000 1.000 161 E CA 1.344 57.687 56.400 -0.095 0.000 0.803 161 E CB -0.241 29.445 29.700 -0.023 0.000 0.750 161 E HN 0.511 nan 8.360 nan 0.000 0.448 162 N N 0.703 119.397 118.700 -0.008 0.000 2.331 162 N HA -0.147 4.593 4.740 0.000 0.000 0.180 162 N C 1.722 177.182 175.510 -0.083 0.000 1.019 162 N CA 0.702 53.763 53.050 0.019 0.000 0.881 162 N CB -0.176 38.346 38.487 0.059 0.000 0.972 162 N HN 0.382 nan 8.380 nan 0.000 0.435 163 E N 1.054 121.208 120.200 -0.076 0.000 2.106 163 E HA -0.163 4.187 4.350 0.000 0.000 0.192 163 E C 0.717 177.242 176.600 -0.125 0.000 0.984 163 E CA 1.083 57.435 56.400 -0.081 0.000 0.806 163 E CB 0.172 29.843 29.700 -0.047 0.000 0.750 163 E HN 0.160 nan 8.360 nan 0.000 0.458 164 D N -0.343 119.951 120.400 -0.176 0.000 2.117 164 D HA -0.140 4.500 4.640 0.000 0.000 0.198 164 D C 1.748 177.881 176.300 -0.278 0.000 0.982 164 D CA 1.161 55.028 54.000 -0.221 0.000 0.828 164 D CB -0.414 40.225 40.800 -0.269 0.000 0.967 164 D HN 0.429 nan 8.370 nan 0.000 0.464 165 H N 0.224 119.079 119.070 -0.358 0.000 2.321 165 H HA -0.005 4.551 4.556 0.000 0.000 0.300 165 H C 2.334 177.369 175.328 -0.488 0.000 1.087 165 H CA 0.669 56.340 56.048 -0.627 0.000 1.319 165 H CB -0.019 28.894 29.762 -1.415 0.000 1.379 165 H HN 0.025 nan 8.280 nan 0.000 0.501 166 L N -0.019 121.069 121.223 -0.226 0.000 2.042 166 L HA -0.228 4.112 4.340 0.000 0.000 0.210 166 L C 2.769 179.609 176.870 -0.051 0.000 1.076 166 L CA 0.861 55.660 54.840 -0.068 0.000 0.749 166 L CB -0.454 41.574 42.059 -0.052 0.000 0.893 166 L HN 0.374 nan 8.230 nan 0.000 0.432 167 A N -0.332 122.443 122.820 -0.074 0.000 1.940 167 A HA -0.276 4.044 4.320 0.000 0.000 0.219 167 A C 2.398 179.962 177.584 -0.035 0.000 1.176 167 A CA 2.023 54.029 52.037 -0.051 0.000 0.631 167 A CB -0.463 18.501 19.000 -0.060 0.000 0.814 167 A HN 0.345 nan 8.150 nan 0.000 0.446 168 K N -0.617 119.756 120.400 -0.045 0.000 2.025 168 K HA -0.157 4.163 4.320 0.000 0.000 0.207 168 K C 1.830 178.439 176.600 0.016 0.000 1.049 168 K CA 1.406 57.684 56.287 -0.016 0.000 0.933 168 K CB -0.137 32.354 32.500 -0.015 0.000 0.714 168 K HN 0.400 nan 8.250 nan 0.000 0.438 169 E N 1.047 121.268 120.200 0.034 0.000 2.077 169 E HA -0.169 4.181 4.350 0.000 0.000 0.193 169 E C 1.999 178.624 176.600 0.043 0.000 0.989 169 E CA 0.913 57.352 56.400 0.065 0.000 0.800 169 E CB -0.219 29.552 29.700 0.118 0.000 0.746 169 E HN 0.380 nan 8.360 nan 0.000 0.452 170 L N 1.090 122.329 121.223 0.025 0.000 2.633 170 L HA -0.091 4.249 4.340 0.000 0.000 0.235 170 L C 2.011 178.896 176.870 0.025 0.000 1.163 170 L CA 0.440 55.291 54.840 0.019 0.000 0.859 170 L CB -0.346 41.713 42.059 0.001 0.000 0.973 170 L HN 0.087 nan 8.230 nan 0.000 0.451 171 E N 0.162 120.378 120.200 0.026 0.000 2.204 171 E HA -0.177 4.173 4.350 0.000 0.000 0.195 171 E C 0.664 177.291 176.600 0.046 0.000 0.990 171 E CA 0.835 57.253 56.400 0.029 0.000 0.821 171 E CB 0.101 29.816 29.700 0.025 0.000 0.750 171 E HN 0.503 nan 8.360 nan 0.000 0.477 172 D N 0.422 120.853 120.400 0.052 0.000 2.358 172 D HA -0.011 4.629 4.640 0.000 0.000 0.224 172 D C 1.497 177.850 176.300 0.089 0.000 1.123 172 D CA -0.041 54.001 54.000 0.070 0.000 0.833 172 D CB 0.426 41.266 40.800 0.066 0.000 0.946 172 D HN 0.082 nan 8.370 nan 0.000 0.505 173 L N 1.357 122.630 121.223 0.084 0.000 2.043 173 L HA -0.167 4.173 4.340 0.000 0.000 0.212 173 L C 1.150 178.154 176.870 0.223 0.000 1.075 173 L CA 1.723 56.625 54.840 0.104 0.000 0.752 173 L CB -0.300 41.794 42.059 0.058 0.000 0.891 173 L HN -0.043 nan 8.230 nan 0.000 0.432 174 N N -0.348 118.482 118.700 0.218 0.000 2.314 174 N HA 0.063 4.803 4.740 0.000 0.000 0.200 174 N C -0.301 175.309 175.510 0.167 0.000 1.135 174 N CA 0.252 53.437 53.050 0.225 0.000 0.835 174 N CB 0.185 38.767 38.487 0.159 0.000 0.989 174 N HN 0.474 nan 8.380 nan 0.000 0.478 175 K N -0.818 119.688 120.400 0.176 0.000 2.208 175 K HA 0.179 4.499 4.320 0.000 0.000 0.247 175 K C 0.248 177.005 176.600 0.261 0.000 0.953 175 K CA -0.809 55.593 56.287 0.192 0.000 0.837 175 K CB 1.954 34.538 32.500 0.140 0.000 1.131 175 K HN 0.022 nan 8.250 nan 0.000 0.431 176 W N 1.757 123.074 121.300 0.028 0.000 2.425 176 W HA -0.077 4.583 4.660 0.000 0.000 0.277 176 W C 1.040 177.575 176.519 0.026 0.000 1.231 176 W CA 1.397 58.751 57.345 0.015 0.000 1.248 176 W CB 0.356 29.806 29.460 -0.016 0.000 1.117 176 W HN 0.896 nan 8.180 nan 0.000 0.568 177 G N 0.848 109.765 108.800 0.194 0.000 2.920 177 G HA2 -0.032 3.928 3.960 0.000 0.000 0.208 177 G HA3 -0.032 3.928 3.960 0.000 0.000 0.208 177 G C 0.400 175.333 174.900 0.055 0.000 1.159 177 G CA -0.464 44.696 45.100 0.100 0.000 0.784 177 G HN 0.108 nan 8.290 nan 0.000 0.535 178 L N 0.711 121.959 121.223 0.043 0.000 2.514 178 L HA 0.155 4.495 4.340 0.000 0.000 0.280 178 L C -0.126 176.752 176.870 0.013 0.000 1.223 178 L CA -0.344 54.514 54.840 0.030 0.000 0.864 178 L CB 0.631 42.705 42.059 0.025 0.000 1.118 178 L HN -0.003 nan 8.230 nan 0.000 0.494 179 N N 4.641 123.357 118.700 0.027 0.000 2.589 179 N HA 0.059 4.799 4.740 0.000 0.000 0.232 179 N C 0.618 176.118 175.510 -0.016 0.000 1.015 179 N CA -0.283 52.790 53.050 0.039 0.000 0.931 179 N CB 0.995 39.521 38.487 0.066 0.000 1.150 179 N HN 0.751 nan 8.380 nan 0.000 0.512 180 I N 3.539 124.037 120.570 -0.121 0.000 2.614 180 I HA -0.068 4.102 4.170 0.000 0.000 0.258 180 I C 1.068 177.002 176.117 -0.305 0.000 1.189 180 I CA 1.076 62.243 61.300 -0.221 0.000 1.462 180 I CB -0.163 37.679 38.000 -0.264 0.000 1.092 180 I HN 0.404 nan 8.210 nan 0.000 0.442 181 F N 0.446 120.311 119.950 -0.141 0.000 2.186 181 F HA -0.170 4.357 4.527 0.000 0.000 0.299 181 F C 2.315 177.991 175.800 -0.207 0.000 1.090 181 F CA 1.164 59.041 58.000 -0.205 0.000 1.307 181 F CB -1.066 37.770 39.000 -0.274 0.000 1.019 181 F HN 0.133 nan 8.300 nan 0.000 0.489 182 N N 0.353 119.045 118.700 -0.013 0.000 2.142 182 N HA -0.121 4.619 4.740 0.000 0.000 0.186 182 N C 2.162 177.580 175.510 -0.152 0.000 1.023 182 N CA 1.165 54.127 53.050 -0.146 0.000 0.852 182 N CB -0.798 37.689 38.487 0.001 0.000 0.998 182 N HN 0.082 nan 8.380 nan 0.000 0.424 183 V N 1.672 121.568 119.914 -0.031 0.000 2.287 183 V HA -0.250 3.870 4.120 0.000 0.000 0.248 183 V C 2.431 178.497 176.094 -0.046 0.000 1.053 183 V CA 1.957 64.261 62.300 0.007 0.000 1.027 183 V CB -1.095 30.715 31.823 -0.022 0.000 0.646 183 V HN 0.312 nan 8.190 nan 0.000 0.447 184 A N 0.529 123.294 122.820 -0.091 0.000 1.908 184 A HA -0.145 4.175 4.320 0.000 0.000 0.218 184 A C 2.439 179.956 177.584 -0.112 0.000 1.181 184 A CA 2.092 54.080 52.037 -0.081 0.000 0.627 184 A CB -1.351 17.598 19.000 -0.086 0.000 0.818 184 A HN 0.562 nan 8.150 nan 0.000 0.445 185 G N -1.971 106.697 108.800 -0.220 0.000 2.450 185 G HA2 -0.184 3.776 3.960 0.000 0.000 0.220 185 G HA3 -0.184 3.776 3.960 0.000 0.000 0.220 185 G C 1.212 175.895 174.900 -0.361 0.000 1.130 185 G CA 1.235 46.127 45.100 -0.347 0.000 0.760 185 G HN 0.589 nan 8.290 nan 0.000 0.557 186 Y N 0.638 120.876 120.300 -0.103 0.000 2.457 186 Y HA 0.228 4.778 4.550 0.000 0.000 0.263 186 Y C 2.100 177.899 175.900 -0.169 0.000 1.164 186 Y CA -0.030 57.993 58.100 -0.128 0.000 1.274 186 Y CB 0.333 38.748 38.460 -0.074 0.000 1.097 186 Y HN 0.232 nan 8.280 nan 0.000 0.523 187 S N -1.584 114.105 115.700 -0.018 0.000 2.651 187 S HA 0.151 4.621 4.470 0.000 0.000 0.246 187 S C -0.332 174.322 174.600 0.090 0.000 1.039 187 S CA -0.361 57.837 58.200 -0.002 0.000 1.013 187 S CB -0.717 62.493 63.200 0.017 0.000 0.861 187 S HN 0.429 nan 8.310 nan 0.000 0.485 188 H N 1.693 120.807 119.070 0.074 0.000 2.713 188 H HA -0.167 4.389 4.556 0.000 0.000 0.311 188 H C 0.600 175.951 175.328 0.038 0.000 1.175 188 H CA 0.980 57.060 56.048 0.054 0.000 1.143 188 H CB -2.053 27.751 29.762 0.070 0.000 1.434 188 H HN 0.783 nan 8.280 nan 0.000 0.418 189 N N -0.137 118.617 118.700 0.091 0.000 2.727 189 N HA -0.204 4.536 4.740 0.000 0.000 0.249 189 N C -0.441 175.103 175.510 0.057 0.000 1.048 189 N CA 0.905 53.983 53.050 0.047 0.000 0.714 189 N CB -0.203 38.305 38.487 0.035 0.000 0.959 189 N HN 0.354 nan 8.380 nan 0.000 0.544 190 R N -0.123 120.434 120.500 0.095 0.000 2.989 190 R HA 0.266 4.606 4.340 0.000 0.000 0.340 190 R C -1.667 174.692 176.300 0.098 0.000 1.205 190 R CA -1.319 54.846 56.100 0.109 0.000 1.235 190 R CB 0.525 30.947 30.300 0.203 0.000 1.394 190 R HN 0.372 nan 8.270 nan 0.000 0.598 191 P HA -0.172 nan 4.420 nan 0.000 0.218 191 P C 1.325 178.613 177.300 -0.019 0.000 1.149 191 P CA 0.655 63.743 63.100 -0.020 0.000 0.817 191 P CB 0.468 32.119 31.700 -0.081 0.000 0.785 192 L N 0.219 121.410 121.223 -0.053 0.000 2.027 192 L HA -0.065 4.275 4.340 0.000 0.000 0.206 192 L C 2.301 179.187 176.870 0.027 0.000 1.074 192 L CA 2.319 57.118 54.840 -0.069 0.000 0.745 192 L CB -1.697 40.258 42.059 -0.174 0.000 0.898 192 L HN -0.101 nan 8.230 nan 0.000 0.433 193 T N -1.350 113.245 114.554 0.068 0.000 2.777 193 T HA -0.226 4.124 4.350 0.000 0.000 0.266 193 T C 2.047 176.977 174.700 0.384 0.000 1.040 193 T CA 1.424 63.619 62.100 0.157 0.000 1.141 193 T CB -0.834 68.092 68.868 0.096 0.000 0.868 193 T HN 0.625 nan 8.240 nan 0.000 0.444 194 C N 0.920 120.423 119.300 0.339 0.000 2.436 194 C HA -0.014 4.447 4.460 0.000 0.000 0.277 194 C C 2.523 177.591 174.990 0.130 0.000 1.241 194 C CA 0.314 59.395 59.018 0.105 0.000 1.721 194 C CB -1.303 26.371 27.740 -0.109 0.000 2.043 194 C HN 0.494 nan 8.230 nan 0.000 0.472 195 I N 0.783 121.407 120.570 0.089 0.000 2.286 195 I HA -0.132 4.038 4.170 0.000 0.000 0.248 195 I C 2.367 178.566 176.117 0.137 0.000 1.115 195 I CA 1.681 63.020 61.300 0.066 0.000 1.392 195 I CB -0.379 37.629 38.000 0.012 0.000 1.065 195 I HN 0.308 nan 8.210 nan 0.000 0.418 196 M N -1.448 118.284 119.600 0.220 0.000 2.132 196 M HA -0.223 4.257 4.480 0.000 0.000 0.263 196 M C 2.330 178.913 176.300 0.471 0.000 1.065 196 M CA 1.621 57.129 55.300 0.347 0.000 1.122 196 M CB -1.285 31.497 32.600 0.303 0.000 1.365 196 M HN 0.285 nan 8.290 nan 0.000 0.411 197 Y N 1.200 121.736 120.300 0.394 0.000 2.181 197 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 197 Y C 2.421 178.405 175.900 0.140 0.000 1.146 197 Y CA 1.713 60.010 58.100 0.329 0.000 1.164 197 Y CB -0.540 38.167 38.460 0.412 0.000 0.982 197 Y HN 0.211 nan 8.280 nan 0.000 0.515 198 A N 0.247 123.145 122.820 0.131 0.000 1.877 198 A HA -0.183 4.137 4.320 0.000 0.000 0.216 198 A C 2.361 179.902 177.584 -0.072 0.000 1.186 198 A CA 2.012 54.035 52.037 -0.023 0.000 0.620 198 A CB -1.133 17.863 19.000 -0.006 0.000 0.822 198 A HN 0.528 nan 8.150 nan 0.000 0.443 199 I N -1.872 118.679 120.570 -0.032 0.000 2.179 199 I HA -0.249 3.922 4.170 0.000 0.000 0.242 199 I C 2.269 178.383 176.117 -0.005 0.000 1.088 199 I CA 1.412 62.632 61.300 -0.133 0.000 1.357 199 I CB -0.391 37.570 38.000 -0.065 0.000 1.051 199 I HN 0.281 nan 8.210 nan 0.000 0.409 200 F N 0.862 120.707 119.950 -0.174 0.000 2.171 200 F HA -0.204 4.323 4.527 0.000 0.000 0.300 200 F C 2.725 178.368 175.800 -0.261 0.000 1.090 200 F CA 1.208 59.065 58.000 -0.238 0.000 1.293 200 F CB -0.623 38.064 39.000 -0.522 0.000 1.013 200 F HN 0.103 nan 8.300 nan 0.000 0.486 201 Q N -0.028 119.670 119.800 -0.171 0.000 2.046 201 Q HA -0.216 4.124 4.340 0.000 0.000 0.200 201 Q C 2.224 178.154 176.000 -0.117 0.000 0.975 201 Q CA 1.567 57.241 55.803 -0.216 0.000 0.836 201 Q CB -0.595 27.949 28.738 -0.323 0.000 0.896 201 Q HN 0.386 nan 8.270 nan 0.000 0.428 202 E N 1.168 121.313 120.200 -0.091 0.000 2.085 202 E HA -0.166 4.184 4.350 0.000 0.000 0.194 202 E C 1.380 177.974 176.600 -0.010 0.000 0.994 202 E CA 1.372 57.751 56.400 -0.035 0.000 0.801 202 E CB 0.018 29.707 29.700 -0.018 0.000 0.743 202 E HN 0.162 nan 8.360 nan 0.000 0.453 203 R N 0.106 120.587 120.500 -0.032 0.000 2.334 203 R HA 0.068 4.408 4.340 0.000 0.000 0.220 203 R C -0.150 176.111 176.300 -0.065 0.000 0.917 203 R CA 0.631 56.713 56.100 -0.031 0.000 1.073 203 R CB 0.194 30.466 30.300 -0.046 0.000 1.056 203 R HN 0.170 nan 8.270 nan 0.000 0.506 204 D N 0.360 120.716 120.400 -0.073 0.000 2.983 204 D HA -0.229 4.412 4.640 0.000 0.000 0.225 204 D C 0.814 177.071 176.300 -0.072 0.000 1.174 204 D CA 0.732 54.690 54.000 -0.070 0.000 0.831 204 D CB -1.080 39.685 40.800 -0.058 0.000 1.104 204 D HN 0.329 nan 8.370 nan 0.000 0.421 205 L N -0.103 121.060 121.223 -0.100 0.000 2.131 205 L HA -0.152 4.188 4.340 0.000 0.000 0.210 205 L C 2.713 179.661 176.870 0.129 0.000 1.092 205 L CA 0.948 55.766 54.840 -0.036 0.000 0.759 205 L CB -0.258 41.551 42.059 -0.416 0.000 0.903 205 L HN 0.201 nan 8.230 nan 0.000 0.435 206 L N -0.526 120.751 121.223 0.091 0.000 2.083 206 L HA -0.217 4.123 4.340 0.000 0.000 0.209 206 L C 2.554 179.469 176.870 0.073 0.000 1.083 206 L CA 1.389 56.296 54.840 0.111 0.000 0.752 206 L CB -0.457 41.615 42.059 0.021 0.000 0.899 206 L HN 0.228 nan 8.230 nan 0.000 0.433 207 K N -0.517 119.889 120.400 0.009 0.000 2.007 207 K HA -0.076 4.244 4.320 0.000 0.000 0.206 207 K C 2.112 178.672 176.600 -0.067 0.000 1.047 207 K CA 1.683 57.958 56.287 -0.020 0.000 0.937 207 K CB -0.370 32.106 32.500 -0.040 0.000 0.718 207 K HN 0.162 nan 8.250 nan 0.000 0.438 208 T N 0.803 115.271 114.554 -0.145 0.000 2.720 208 T HA -0.126 4.224 4.350 0.000 0.000 0.268 208 T C 1.052 175.444 174.700 -0.514 0.000 1.037 208 T CA 1.380 63.257 62.100 -0.371 0.000 1.144 208 T CB -0.174 68.363 68.868 -0.551 0.000 0.864 208 T HN 0.080 nan 8.240 nan 0.000 0.444 209 F N 0.603 120.576 119.950 0.039 0.000 2.639 209 F HA 0.430 4.957 4.527 0.000 0.000 0.302 209 F C 0.740 176.585 175.800 0.075 0.000 1.097 209 F CA -0.813 57.228 58.000 0.068 0.000 1.294 209 F CB -0.297 38.769 39.000 0.111 0.000 1.027 209 F HN -0.135 nan 8.300 nan 0.000 0.550 210 R N 1.022 121.607 120.500 0.141 0.000 3.188 210 R HA -0.190 4.150 4.340 0.000 0.000 0.247 210 R C -0.924 175.458 176.300 0.137 0.000 0.918 210 R CA 0.326 56.491 56.100 0.110 0.000 0.629 210 R CB -2.270 28.079 30.300 0.081 0.000 1.087 210 R HN 0.304 nan 8.270 nan 0.000 0.462 211 I N 1.006 121.672 120.570 0.160 0.000 2.339 211 I HA 0.144 4.314 4.170 0.000 0.000 0.290 211 I C 1.016 177.215 176.117 0.137 0.000 0.994 211 I CA -0.589 60.807 61.300 0.160 0.000 1.191 211 I CB 1.757 39.890 38.000 0.222 0.000 1.343 211 I HN 0.244 nan 8.210 nan 0.000 0.458 212 S N 3.423 119.190 115.700 0.112 0.000 2.585 212 S HA 0.150 4.620 4.470 0.000 0.000 0.273 212 S C 1.076 175.775 174.600 0.166 0.000 1.339 212 S CA -0.611 57.651 58.200 0.104 0.000 1.028 212 S CB 1.472 64.706 63.200 0.055 0.000 0.906 212 S HN 0.613 nan 8.310 nan 0.000 0.528 213 S N 1.003 116.813 115.700 0.184 0.000 2.399 213 S HA -0.143 4.327 4.470 0.000 0.000 0.231 213 S C 1.508 176.218 174.600 0.184 0.000 1.022 213 S CA 1.575 59.945 58.200 0.283 0.000 0.983 213 S CB -0.706 62.679 63.200 0.309 0.000 0.803 213 S HN 0.963 nan 8.310 nan 0.000 0.480 214 D N 0.985 121.441 120.400 0.094 0.000 2.092 214 D HA -0.130 4.510 4.640 0.000 0.000 0.193 214 D C 1.885 178.210 176.300 0.042 0.000 0.994 214 D CA 1.988 56.007 54.000 0.032 0.000 0.828 214 D CB -0.346 40.442 40.800 -0.019 0.000 0.963 214 D HN 0.269 nan 8.370 nan 0.000 0.450 215 T N -0.593 113.994 114.554 0.056 0.000 2.708 215 T HA -0.145 4.205 4.350 0.000 0.000 0.266 215 T C 1.597 176.355 174.700 0.096 0.000 1.037 215 T CA 1.166 63.304 62.100 0.064 0.000 1.146 215 T CB -0.676 68.222 68.868 0.048 0.000 0.865 215 T HN 0.217 nan 8.240 nan 0.000 0.435 216 F N 1.644 121.603 119.950 0.014 0.000 2.069 216 F HA -0.050 4.477 4.527 0.000 0.000 0.298 216 F C 2.027 177.833 175.800 0.009 0.000 1.113 216 F CA 1.071 59.077 58.000 0.010 0.000 1.214 216 F CB -0.450 38.583 39.000 0.054 0.000 0.978 216 F HN 0.076 nan 8.300 nan 0.000 0.474 217 I N -0.677 119.897 120.570 0.006 0.000 2.286 217 I HA -0.302 3.869 4.170 0.000 0.000 0.248 217 I C 2.194 178.174 176.117 -0.228 0.000 1.115 217 I CA 1.633 62.811 61.300 -0.205 0.000 1.392 217 I CB -0.909 36.934 38.000 -0.263 0.000 1.065 217 I HN 0.152 nan 8.210 nan 0.000 0.418 218 T N 0.079 114.564 114.554 -0.116 0.000 2.708 218 T HA -0.262 4.088 4.350 0.000 0.000 0.266 218 T C 1.792 176.430 174.700 -0.104 0.000 1.037 218 T CA 1.695 63.745 62.100 -0.083 0.000 1.146 218 T CB -0.489 68.390 68.868 0.019 0.000 0.865 218 T HN 0.371 nan 8.240 nan 0.000 0.435 219 Y N 1.366 121.548 120.300 -0.196 0.000 2.145 219 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 219 Y C 2.296 178.039 175.900 -0.262 0.000 1.145 219 Y CA 1.244 59.214 58.100 -0.216 0.000 1.148 219 Y CB -0.310 37.995 38.460 -0.258 0.000 0.981 219 Y HN 0.005 nan 8.280 nan 0.000 0.507 220 M N -0.453 118.893 119.600 -0.423 0.000 2.117 220 M HA -0.234 4.246 4.480 0.000 0.000 0.262 220 M C 2.045 178.136 176.300 -0.348 0.000 1.065 220 M CA 1.510 56.532 55.300 -0.464 0.000 1.114 220 M CB -1.007 31.277 32.600 -0.527 0.000 1.361 220 M HN 0.401 nan 8.290 nan 0.000 0.408 221 M N -0.753 118.667 119.600 -0.300 0.000 2.229 221 M HA -0.117 4.363 4.480 0.000 0.000 0.264 221 M C 2.014 178.207 176.300 -0.179 0.000 1.063 221 M CA 1.424 56.590 55.300 -0.223 0.000 1.114 221 M CB -1.540 30.918 32.600 -0.237 0.000 1.387 221 M HN 0.264 nan 8.290 nan 0.000 0.420 222 T N 1.322 115.740 114.554 -0.226 0.000 2.770 222 T HA -0.097 4.253 4.350 0.000 0.000 0.263 222 T C 1.847 176.476 174.700 -0.119 0.000 1.039 222 T CA 1.029 63.039 62.100 -0.150 0.000 1.142 222 T CB -0.333 68.420 68.868 -0.193 0.000 0.868 222 T HN 0.263 nan 8.240 nan 0.000 0.435 223 L N 1.474 122.463 121.223 -0.391 0.000 2.017 223 L HA -0.049 4.291 4.340 0.000 0.000 0.208 223 L C 2.468 179.346 176.870 0.012 0.000 1.073 223 L CA 2.041 56.695 54.840 -0.310 0.000 0.745 223 L CB -0.588 41.147 42.059 -0.541 0.000 0.894 223 L HN 0.262 nan 8.230 nan 0.000 0.432 224 E N -0.814 119.381 120.200 -0.008 0.000 2.118 224 E HA -0.302 4.048 4.350 0.000 0.000 0.195 224 E C 1.683 178.365 176.600 0.136 0.000 0.992 224 E CA 1.540 58.000 56.400 0.100 0.000 0.804 224 E CB -0.170 29.515 29.700 -0.025 0.000 0.741 224 E HN 0.586 nan 8.360 nan 0.000 0.458 225 D N -1.156 119.273 120.400 0.049 0.000 2.310 225 D HA -0.095 4.545 4.640 0.000 0.000 0.212 225 D C 0.769 177.026 176.300 -0.071 0.000 0.965 225 D CA 0.743 54.733 54.000 -0.015 0.000 0.879 225 D CB 0.058 40.812 40.800 -0.076 0.000 0.921 225 D HN 0.312 nan 8.370 nan 0.000 0.510 226 H N -1.946 117.124 119.070 0.000 0.000 2.539 226 H HA 0.181 4.737 4.556 0.000 0.000 0.269 226 H C -0.439 174.901 175.328 0.022 0.000 0.980 226 H CA 0.020 56.058 56.048 -0.017 0.000 1.152 226 H CB 0.012 29.717 29.762 -0.095 0.000 1.407 226 H HN 0.112 nan 8.280 nan 0.000 0.564 227 Y N 0.405 120.789 120.300 0.140 0.000 2.310 227 Y HA 0.162 4.712 4.550 0.000 0.000 0.326 227 Y C 0.185 176.235 175.900 0.250 0.000 1.151 227 Y CA -0.742 57.457 58.100 0.164 0.000 1.195 227 Y CB 0.546 39.035 38.460 0.050 0.000 1.210 227 Y HN 0.203 nan 8.280 nan 0.000 0.483 228 H N 0.765 119.937 119.070 0.169 0.000 2.782 228 H HA 0.097 4.653 4.556 0.000 0.000 0.285 228 H C 1.137 176.529 175.328 0.105 0.000 1.093 228 H CA -0.387 55.726 56.048 0.108 0.000 1.410 228 H CB 0.951 30.778 29.762 0.108 0.000 1.439 228 H HN 0.665 nan 8.280 nan 0.000 0.469 229 S N 1.517 117.312 115.700 0.158 0.000 2.447 229 S HA -0.162 4.308 4.470 0.000 0.000 0.233 229 S C 1.294 175.950 174.600 0.094 0.000 1.006 229 S CA 0.978 59.240 58.200 0.102 0.000 0.957 229 S CB 0.074 63.305 63.200 0.052 0.000 0.773 229 S HN 0.716 nan 8.310 nan 0.000 0.507 230 D N 0.963 121.427 120.400 0.107 0.000 2.340 230 D HA 0.059 4.699 4.640 0.000 0.000 0.220 230 D C 0.210 176.581 176.300 0.119 0.000 1.039 230 D CA -0.076 53.979 54.000 0.092 0.000 0.866 230 D CB -0.233 40.609 40.800 0.070 0.000 0.913 230 D HN 0.320 nan 8.370 nan 0.000 0.523 231 V N 1.411 121.421 119.914 0.159 0.000 2.432 231 V HA 0.357 4.477 4.120 0.000 0.000 0.275 231 V C 1.584 177.747 176.094 0.116 0.000 1.043 231 V CA -0.123 62.267 62.300 0.150 0.000 0.925 231 V CB 1.112 33.041 31.823 0.177 0.000 0.985 231 V HN 0.210 nan 8.190 nan 0.000 0.466 232 A N 4.336 127.217 122.820 0.102 0.000 1.902 232 A HA -0.189 4.131 4.320 0.000 0.000 0.217 232 A C 1.809 179.453 177.584 0.101 0.000 1.181 232 A CA 2.066 54.155 52.037 0.087 0.000 0.623 232 A CB -0.381 18.660 19.000 0.070 0.000 0.818 232 A HN 0.933 nan 8.150 nan 0.000 0.443 233 Y N -1.071 119.194 120.300 -0.058 0.000 2.447 233 Y HA 0.196 4.746 4.550 0.000 0.000 0.286 233 Y C 0.898 176.652 175.900 -0.243 0.000 1.153 233 Y CA 0.592 58.592 58.100 -0.166 0.000 1.241 233 Y CB 0.146 38.372 38.460 -0.391 0.000 1.284 233 Y HN 0.371 nan 8.280 nan 0.000 0.520 234 H N 2.048 121.089 119.070 -0.050 0.000 3.268 234 H HA 0.164 4.720 4.556 0.000 0.000 0.213 234 H C -0.676 174.666 175.328 0.024 0.000 1.858 234 H CA -0.074 55.881 56.048 -0.156 0.000 1.386 234 H CB -1.046 28.402 29.762 -0.523 0.000 1.734 234 H HN 0.411 nan 8.280 nan 0.000 0.612 235 N N -1.678 117.077 118.700 0.092 0.000 2.906 235 N HA 0.096 4.836 4.740 0.000 0.000 0.327 235 N C 1.156 176.596 175.510 -0.116 0.000 1.344 235 N CA -0.358 52.781 53.050 0.149 0.000 0.823 235 N CB 0.360 38.901 38.487 0.090 0.000 1.351 235 N HN 0.057 nan 8.380 nan 0.000 0.604 236 S N -1.110 114.443 115.700 -0.244 0.000 2.447 236 S HA -0.105 4.365 4.470 0.000 0.000 0.233 236 S C 1.528 175.902 174.600 -0.377 0.000 1.006 236 S CA 0.385 58.222 58.200 -0.605 0.000 0.957 236 S CB -0.528 62.461 63.200 -0.352 0.000 0.773 236 S HN 0.470 nan 8.310 nan 0.000 0.507 237 L N 1.890 122.995 121.223 -0.195 0.000 2.056 237 L HA 0.003 4.343 4.340 0.000 0.000 0.207 237 L C 2.457 179.273 176.870 -0.089 0.000 1.078 237 L CA 2.298 57.059 54.840 -0.131 0.000 0.749 237 L CB -1.163 40.849 42.059 -0.078 0.000 0.901 237 L HN 0.562 nan 8.230 nan 0.000 0.433 238 H N -0.579 118.343 119.070 -0.247 0.000 2.357 238 H HA -0.014 4.542 4.556 0.000 0.000 0.301 238 H C 1.993 177.120 175.328 -0.335 0.000 1.082 238 H CA 1.644 57.416 56.048 -0.460 0.000 1.342 238 H CB -0.115 29.230 29.762 -0.694 0.000 1.389 238 H HN 0.366 nan 8.280 nan 0.000 0.511 239 A N 1.031 123.553 122.820 -0.495 0.000 1.902 239 A HA -0.036 4.284 4.320 0.000 0.000 0.217 239 A C 2.649 180.033 177.584 -0.333 0.000 1.181 239 A CA 1.728 53.485 52.037 -0.466 0.000 0.623 239 A CB -1.388 17.173 19.000 -0.733 0.000 0.818 239 A HN 0.634 nan 8.150 nan 0.000 0.443 240 A N 0.015 122.652 122.820 -0.305 0.000 1.902 240 A HA -0.209 4.111 4.320 0.000 0.000 0.217 240 A C 1.849 179.323 177.584 -0.183 0.000 1.181 240 A CA 2.238 54.159 52.037 -0.192 0.000 0.623 240 A CB -0.701 18.201 19.000 -0.163 0.000 0.818 240 A HN 0.563 nan 8.150 nan 0.000 0.443 241 D N -0.474 119.782 120.400 -0.240 0.000 2.117 241 D HA -0.119 4.521 4.640 0.000 0.000 0.197 241 D C 1.770 177.889 176.300 -0.301 0.000 0.987 241 D CA 1.627 55.472 54.000 -0.258 0.000 0.829 241 D CB -0.127 40.476 40.800 -0.328 0.000 0.961 241 D HN 0.150 nan 8.370 nan 0.000 0.460 242 V N 0.714 120.405 119.914 -0.372 0.000 2.358 242 V HA -0.163 3.957 4.120 0.000 0.000 0.246 242 V C 2.599 178.589 176.094 -0.173 0.000 1.047 242 V CA 1.668 63.778 62.300 -0.317 0.000 1.035 242 V CB -0.953 30.619 31.823 -0.418 0.000 0.658 242 V HN 0.341 nan 8.190 nan 0.000 0.452 243 A N -0.725 122.024 122.820 -0.118 0.000 1.877 243 A HA -0.277 4.043 4.320 0.000 0.000 0.216 243 A C 2.274 179.886 177.584 0.047 0.000 1.186 243 A CA 1.969 54.002 52.037 -0.007 0.000 0.620 243 A CB -0.570 18.445 19.000 0.026 0.000 0.822 243 A HN 0.493 nan 8.150 nan 0.000 0.443 244 Q N 0.169 119.972 119.800 0.005 0.000 2.079 244 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 244 Q C 2.248 178.304 176.000 0.093 0.000 0.974 244 Q CA 1.954 57.795 55.803 0.064 0.000 0.840 244 Q CB -0.254 28.479 28.738 -0.008 0.000 0.898 244 Q HN 0.601 nan 8.270 nan 0.000 0.430 245 S N -0.001 115.671 115.700 -0.046 0.000 2.383 245 S HA -0.094 4.376 4.470 0.000 0.000 0.227 245 S C 1.965 176.666 174.600 0.169 0.000 1.026 245 S CA 1.591 59.763 58.200 -0.048 0.000 0.981 245 S CB -0.337 62.699 63.200 -0.273 0.000 0.818 245 S HN 0.452 nan 8.310 nan 0.000 0.472 246 T N 0.734 115.335 114.554 0.079 0.000 2.821 246 T HA -0.131 4.219 4.350 0.000 0.000 0.267 246 T C 1.715 176.489 174.700 0.123 0.000 1.046 246 T CA 1.664 63.806 62.100 0.070 0.000 1.139 246 T CB -0.429 68.448 68.868 0.014 0.000 0.871 246 T HN 0.618 nan 8.240 nan 0.000 0.454 247 H N 1.027 120.144 119.070 0.079 0.000 2.387 247 H HA -0.029 4.527 4.556 0.000 0.000 0.299 247 H C 1.905 177.307 175.328 0.124 0.000 1.099 247 H CA 1.460 57.562 56.048 0.090 0.000 1.315 247 H CB -0.537 29.277 29.762 0.087 0.000 1.380 247 H HN 0.159 nan 8.280 nan 0.000 0.513 248 V N 0.558 120.475 119.914 0.005 0.000 2.379 248 V HA -0.177 3.944 4.120 0.000 0.000 0.245 248 V C 2.720 178.866 176.094 0.086 0.000 1.044 248 V CA 1.553 63.872 62.300 0.031 0.000 1.036 248 V CB -0.566 31.459 31.823 0.337 0.000 0.664 248 V HN 0.402 nan 8.190 nan 0.000 0.453 249 L N -0.572 120.756 121.223 0.175 0.000 2.131 249 L HA -0.179 4.161 4.340 0.000 0.000 0.210 249 L C 2.375 179.359 176.870 0.189 0.000 1.092 249 L CA 1.405 56.355 54.840 0.183 0.000 0.759 249 L CB -0.523 41.606 42.059 0.118 0.000 0.903 249 L HN 0.315 nan 8.230 nan 0.000 0.435 250 L N -1.045 120.242 121.223 0.106 0.000 2.191 250 L HA -0.154 4.186 4.340 0.000 0.000 0.212 250 L C 2.126 179.068 176.870 0.120 0.000 1.103 250 L CA 0.820 55.732 54.840 0.120 0.000 0.769 250 L CB -0.261 41.828 42.059 0.050 0.000 0.908 250 L HN 0.135 nan 8.230 nan 0.000 0.438 251 S N -1.639 114.083 115.700 0.036 0.000 2.605 251 S HA -0.004 4.466 4.470 0.000 0.000 0.217 251 S C 0.850 175.476 174.600 0.043 0.000 0.958 251 S CA -0.040 58.171 58.200 0.018 0.000 0.919 251 S CB -0.169 62.993 63.200 -0.063 0.000 0.780 251 S HN 0.330 nan 8.310 nan 0.000 0.507 252 T N 3.245 117.851 114.554 0.087 0.000 2.928 252 T HA 0.090 4.440 4.350 0.000 0.000 0.305 252 T C -1.614 173.110 174.700 0.041 0.000 1.035 252 T CA -1.414 60.731 62.100 0.075 0.000 1.145 252 T CB 0.635 69.588 68.868 0.142 0.000 0.963 252 T HN 0.007 nan 8.240 nan 0.000 0.545 253 P HA -0.182 nan 4.420 nan 0.000 0.217 253 P C 1.316 178.602 177.300 -0.024 0.000 1.162 253 P CA 1.796 64.891 63.100 -0.008 0.000 0.901 253 P CB -0.073 31.617 31.700 -0.017 0.000 0.793 254 A N -1.380 121.415 122.820 -0.042 0.000 2.131 254 A HA -0.138 4.182 4.320 0.000 0.000 0.220 254 A C 1.835 179.370 177.584 -0.082 0.000 1.158 254 A CA 1.382 53.372 52.037 -0.077 0.000 0.665 254 A CB -1.364 17.563 19.000 -0.122 0.000 0.795 254 A HN 0.204 nan 8.150 nan 0.000 0.460 255 L N -0.558 120.644 121.223 -0.036 0.000 2.910 255 L HA 0.162 4.503 4.340 0.000 0.000 0.252 255 L C 0.008 176.861 176.870 -0.028 0.000 1.195 255 L CA -0.485 54.331 54.840 -0.040 0.000 1.003 255 L CB -0.116 42.009 42.059 0.110 0.000 1.328 255 L HN 0.208 nan 8.230 nan 0.000 0.540 256 D N 1.121 121.508 120.400 -0.022 0.000 2.493 256 D HA 0.184 4.825 4.640 0.000 0.000 0.240 256 D C 1.270 177.548 176.300 -0.036 0.000 1.142 256 D CA 1.028 55.022 54.000 -0.010 0.000 0.872 256 D CB 0.878 41.670 40.800 -0.014 0.000 1.173 256 D HN 0.287 nan 8.370 nan 0.000 0.467 257 A N 2.273 125.086 122.820 -0.012 0.000 2.910 257 A HA -0.242 4.078 4.320 0.000 0.000 0.267 257 A C 1.624 179.163 177.584 -0.075 0.000 1.310 257 A CA 1.280 53.303 52.037 -0.024 0.000 0.934 257 A CB -1.924 17.060 19.000 -0.027 0.000 1.057 257 A HN 0.447 nan 8.150 nan 0.000 0.742 258 V N -1.803 118.015 119.914 -0.160 0.000 2.446 258 V HA 0.094 4.214 4.120 0.000 0.000 0.244 258 V C 1.219 177.072 176.094 -0.401 0.000 1.039 258 V CA 1.750 63.833 62.300 -0.361 0.000 1.045 258 V CB -0.389 31.052 31.823 -0.637 0.000 0.681 258 V HN 0.517 nan 8.190 nan 0.000 0.459 259 F N 0.799 120.767 119.950 0.030 0.000 2.397 259 F HA 0.472 4.999 4.527 0.000 0.000 0.331 259 F C 1.029 176.861 175.800 0.053 0.000 1.090 259 F CA -0.912 57.115 58.000 0.047 0.000 1.065 259 F CB 0.686 39.720 39.000 0.056 0.000 1.184 259 F HN -0.023 nan 8.300 nan 0.000 0.499 260 T N -2.310 112.410 114.554 0.278 0.000 2.816 260 T HA 0.140 4.490 4.350 0.000 0.000 0.282 260 T C 0.763 175.587 174.700 0.207 0.000 0.993 260 T CA -0.719 61.495 62.100 0.190 0.000 0.994 260 T CB 0.816 69.787 68.868 0.171 0.000 1.025 260 T HN 0.499 nan 8.240 nan 0.000 0.529 261 D N -0.117 120.399 120.400 0.192 0.000 2.144 261 D HA -0.070 4.570 4.640 0.000 0.000 0.199 261 D C 1.922 178.465 176.300 0.405 0.000 0.984 261 D CA 0.720 54.875 54.000 0.259 0.000 0.834 261 D CB -0.224 40.670 40.800 0.157 0.000 0.955 261 D HN 0.398 nan 8.370 nan 0.000 0.465 262 L N 1.429 122.892 121.223 0.401 0.000 2.046 262 L HA -0.150 4.190 4.340 0.000 0.000 0.208 262 L C 1.952 178.855 176.870 0.055 0.000 1.077 262 L CA 1.698 56.647 54.840 0.182 0.000 0.747 262 L CB -0.319 41.830 42.059 0.151 0.000 0.896 262 L HN -0.047 nan 8.230 nan 0.000 0.432 263 E N -0.564 119.707 120.200 0.119 0.000 2.106 263 E HA -0.206 4.144 4.350 0.000 0.000 0.192 263 E C 2.290 178.889 176.600 -0.001 0.000 0.984 263 E CA 1.454 57.899 56.400 0.076 0.000 0.806 263 E CB -0.185 29.614 29.700 0.164 0.000 0.750 263 E HN 0.545 nan 8.360 nan 0.000 0.458 264 I N 0.836 121.433 120.570 0.045 0.000 2.179 264 I HA -0.250 3.920 4.170 0.000 0.000 0.242 264 I C 2.469 178.590 176.117 0.008 0.000 1.088 264 I CA 0.565 61.873 61.300 0.013 0.000 1.357 264 I CB -0.131 37.909 38.000 0.068 0.000 1.051 264 I HN 0.141 nan 8.210 nan 0.000 0.409 265 L N 1.261 122.483 121.223 -0.002 0.000 2.042 265 L HA -0.187 4.153 4.340 0.000 0.000 0.210 265 L C 2.554 179.472 176.870 0.081 0.000 1.076 265 L CA 2.221 57.035 54.840 -0.043 0.000 0.749 265 L CB -0.762 41.115 42.059 -0.304 0.000 0.893 265 L HN 0.190 nan 8.230 nan 0.000 0.432 266 A N -0.487 122.347 122.820 0.023 0.000 1.902 266 A HA -0.109 4.211 4.320 0.000 0.000 0.217 266 A C 2.451 180.126 177.584 0.151 0.000 1.181 266 A CA 1.957 54.051 52.037 0.094 0.000 0.623 266 A CB -1.216 17.808 19.000 0.040 0.000 0.818 266 A HN 0.608 nan 8.150 nan 0.000 0.443 267 A N -0.148 122.709 122.820 0.062 0.000 1.873 267 A HA -0.038 4.282 4.320 0.000 0.000 0.215 267 A C 2.125 179.766 177.584 0.094 0.000 1.186 267 A CA 1.486 53.541 52.037 0.030 0.000 0.616 267 A CB -0.578 18.373 19.000 -0.081 0.000 0.823 267 A HN 0.490 nan 8.150 nan 0.000 0.442 268 I N -1.915 118.746 120.570 0.151 0.000 2.252 268 I HA -0.194 3.976 4.170 0.000 0.000 0.245 268 I C 2.347 178.654 176.117 0.317 0.000 1.102 268 I CA 1.372 62.809 61.300 0.228 0.000 1.385 268 I CB -0.330 37.838 38.000 0.280 0.000 1.064 268 I HN 0.427 nan 8.210 nan 0.000 0.414 269 F N 1.979 122.076 119.950 0.244 0.000 2.102 269 F HA -0.205 4.322 4.527 0.000 0.000 0.298 269 F C 2.495 178.388 175.800 0.156 0.000 1.105 269 F CA 1.337 59.485 58.000 0.246 0.000 1.239 269 F CB -0.429 38.740 39.000 0.283 0.000 0.991 269 F HN -0.002 nan 8.300 nan 0.000 0.474 270 A N 0.613 123.511 122.820 0.130 0.000 1.883 270 A HA -0.140 4.180 4.320 0.000 0.000 0.217 270 A C 2.461 180.043 177.584 -0.004 0.000 1.186 270 A CA 2.169 54.219 52.037 0.022 0.000 0.624 270 A CB -1.670 17.390 19.000 0.099 0.000 0.822 270 A HN 0.536 nan 8.150 nan 0.000 0.444 271 A N -0.208 122.618 122.820 0.009 0.000 1.908 271 A HA 0.088 4.408 4.320 0.000 0.000 0.218 271 A C 2.530 180.172 177.584 0.096 0.000 1.181 271 A CA 2.410 54.436 52.037 -0.018 0.000 0.627 271 A CB -1.097 17.878 19.000 -0.042 0.000 0.818 271 A HN 1.161 nan 8.150 nan 0.000 0.445 272 A N 0.304 123.134 122.820 0.017 0.000 1.902 272 A HA -0.057 4.263 4.320 0.000 0.000 0.217 272 A C 2.049 179.629 177.584 -0.007 0.000 1.181 272 A CA 1.600 53.627 52.037 -0.017 0.000 0.623 272 A CB -0.693 18.297 19.000 -0.016 0.000 0.818 272 A HN 1.093 nan 8.150 nan 0.000 0.443 273 I N -3.218 117.256 120.570 -0.159 0.000 3.883 273 I HA 0.052 4.222 4.170 0.000 0.000 0.326 273 I C 1.911 177.970 176.117 -0.096 0.000 1.283 273 I CA 0.741 61.939 61.300 -0.171 0.000 1.161 273 I CB -0.532 37.202 38.000 -0.444 0.000 1.012 273 I HN 0.489 nan 8.210 nan 0.000 0.421 274 H N 0.623 119.643 119.070 -0.084 0.000 2.518 274 H HA -0.122 4.434 4.556 0.000 0.000 0.292 274 H C 0.079 175.250 175.328 -0.261 0.000 1.068 274 H CA 1.454 57.464 56.048 -0.064 0.000 1.275 274 H CB -0.201 29.555 29.762 -0.009 0.000 1.375 274 H HN 0.421 nan 8.280 nan 0.000 0.563 275 D N 0.966 120.833 120.400 -0.887 0.000 2.582 275 D HA 0.112 4.752 4.640 0.000 0.000 0.246 275 D C -0.179 175.584 176.300 -0.894 0.000 1.334 275 D CA -0.276 53.045 54.000 -1.130 0.000 0.805 275 D CB 0.855 41.414 40.800 -0.402 0.000 1.087 275 D HN 0.119 nan 8.370 nan 0.000 0.499 276 V N 1.440 120.823 119.914 -0.886 0.000 2.673 276 V HA -0.004 4.116 4.120 0.000 0.000 0.303 276 V C 0.665 176.526 176.094 -0.389 0.000 1.046 276 V CA 0.769 62.407 62.300 -1.104 0.000 1.126 276 V CB 0.813 32.212 31.823 -0.707 0.000 0.934 276 V HN 0.359 nan 8.190 nan 0.000 0.487 277 D N 3.101 123.296 120.400 -0.342 0.000 2.870 277 D HA -0.219 4.421 4.640 0.000 0.000 0.228 277 D C 0.090 176.337 176.300 -0.088 0.000 1.147 277 D CA 1.227 55.225 54.000 -0.004 0.000 0.757 277 D CB -1.485 39.397 40.800 0.136 0.000 1.091 277 D HN 0.879 nan 8.370 nan 0.000 0.429 278 H N 0.104 119.029 119.070 -0.242 0.000 2.848 278 H HA 0.176 4.732 4.556 0.000 0.000 0.317 278 H C -1.541 173.524 175.328 -0.439 0.000 1.046 278 H CA -0.568 55.402 56.048 -0.130 0.000 1.470 278 H CB 1.307 31.032 29.762 -0.062 0.000 1.483 278 H HN 0.125 nan 8.280 nan 0.000 0.548 279 P HA 0.085 nan 4.420 nan 0.000 0.249 279 P C 0.601 177.952 177.300 0.084 0.000 1.229 279 P CA 1.055 64.104 63.100 -0.084 0.000 0.788 279 P CB 0.491 32.161 31.700 -0.049 0.000 1.072 280 G N -0.109 108.892 108.800 0.334 0.000 2.136 280 G HA2 -0.164 3.796 3.960 0.000 0.000 0.242 280 G HA3 -0.164 3.796 3.960 0.000 0.000 0.242 280 G C 0.031 174.984 174.900 0.089 0.000 0.989 280 G CA 0.111 45.340 45.100 0.215 0.000 0.682 280 G HN 0.568 nan 8.290 nan 0.000 0.522 281 V N -2.247 117.681 119.914 0.022 0.000 3.040 281 V HA 0.959 5.079 4.120 0.000 0.000 0.312 281 V C 0.556 176.622 176.094 -0.046 0.000 1.115 281 V CA -0.099 62.090 62.300 -0.186 0.000 0.998 281 V CB 1.542 32.965 31.823 -0.667 0.000 1.042 281 V HN 1.422 nan 8.190 nan 0.000 0.433 282 S N 1.537 117.218 115.700 -0.032 0.000 2.624 282 S HA 0.283 4.754 4.470 0.000 0.000 0.263 282 S C 0.771 175.390 174.600 0.031 0.000 1.287 282 S CA -0.078 58.127 58.200 0.009 0.000 0.990 282 S CB 0.507 63.698 63.200 -0.015 0.000 0.950 282 S HN 0.817 nan 8.310 nan 0.000 0.561 283 N N 0.686 119.391 118.700 0.008 0.000 2.120 283 N HA -0.141 4.599 4.740 0.000 0.000 0.188 283 N C 1.734 177.267 175.510 0.038 0.000 1.024 283 N CA 1.471 54.524 53.050 0.004 0.000 0.852 283 N CB -0.764 37.720 38.487 -0.005 0.000 1.003 283 N HN 0.741 nan 8.380 nan 0.000 0.424 284 Q N 0.171 119.996 119.800 0.042 0.000 2.135 284 Q HA -0.055 4.285 4.340 0.000 0.000 0.204 284 Q C 1.786 177.823 176.000 0.063 0.000 0.981 284 Q CA 1.078 56.903 55.803 0.036 0.000 0.856 284 Q CB -0.525 28.226 28.738 0.022 0.000 0.902 284 Q HN 0.386 nan 8.270 nan 0.000 0.425 285 F N -0.292 119.630 119.950 -0.046 0.000 2.134 285 F HA -0.116 4.411 4.527 0.000 0.000 0.299 285 F C 1.485 177.265 175.800 -0.034 0.000 1.097 285 F CA 1.231 59.208 58.000 -0.038 0.000 1.264 285 F CB -0.131 38.846 39.000 -0.037 0.000 1.001 285 F HN 0.088 nan 8.300 nan 0.000 0.479 286 L N -0.200 121.172 121.223 0.248 0.000 2.083 286 L HA -0.220 4.120 4.340 0.000 0.000 0.209 286 L C 2.449 179.321 176.870 0.003 0.000 1.083 286 L CA 1.276 56.192 54.840 0.127 0.000 0.752 286 L CB -0.685 41.419 42.059 0.075 0.000 0.899 286 L HN 0.183 nan 8.230 nan 0.000 0.433 287 I N 0.028 120.594 120.570 -0.006 0.000 2.202 287 I HA -0.258 3.912 4.170 0.000 0.000 0.242 287 I C 1.998 178.073 176.117 -0.069 0.000 1.091 287 I CA 1.118 62.401 61.300 -0.028 0.000 1.368 287 I CB -0.377 37.614 38.000 -0.015 0.000 1.058 287 I HN 0.323 nan 8.210 nan 0.000 0.410 288 N N 0.315 118.948 118.700 -0.111 0.000 2.453 288 N HA -0.107 4.633 4.740 0.000 0.000 0.183 288 N C 1.629 177.016 175.510 -0.205 0.000 1.041 288 N CA 1.666 54.623 53.050 -0.154 0.000 0.900 288 N CB -0.443 37.936 38.487 -0.181 0.000 0.961 288 N HN 0.470 nan 8.380 nan 0.000 0.443 289 T N -2.736 111.667 114.554 -0.251 0.000 3.086 289 T HA 0.127 4.477 4.350 0.000 0.000 0.250 289 T C 0.219 174.849 174.700 -0.117 0.000 1.074 289 T CA -0.403 61.558 62.100 -0.232 0.000 0.988 289 T CB 0.010 68.689 68.868 -0.315 0.000 0.988 289 T HN -0.045 nan 8.240 nan 0.000 0.530 290 N N 1.435 120.082 118.700 -0.089 0.000 2.758 290 N HA -0.146 4.594 4.740 0.000 0.000 0.248 290 N C -0.081 175.404 175.510 -0.042 0.000 1.076 290 N CA 0.909 53.926 53.050 -0.056 0.000 0.696 290 N CB -1.935 36.521 38.487 -0.051 0.000 0.979 290 N HN 0.682 nan 8.380 nan 0.000 0.550 291 S N -0.017 115.662 115.700 -0.034 0.000 2.558 291 S HA -0.008 4.463 4.470 0.000 0.000 0.288 291 S C 1.576 176.159 174.600 -0.030 0.000 1.318 291 S CA 0.463 58.652 58.200 -0.018 0.000 1.056 291 S CB 0.956 64.159 63.200 0.004 0.000 0.853 291 S HN 0.436 nan 8.310 nan 0.000 0.505 292 E N 3.674 123.853 120.200 -0.035 0.000 2.153 292 E HA -0.186 4.164 4.350 0.000 0.000 0.194 292 E C 1.690 178.247 176.600 -0.071 0.000 0.988 292 E CA 1.028 57.398 56.400 -0.051 0.000 0.811 292 E CB -0.239 29.433 29.700 -0.047 0.000 0.746 292 E HN 0.615 nan 8.360 nan 0.000 0.466 293 L N 1.269 122.450 121.223 -0.070 0.000 2.046 293 L HA -0.076 4.264 4.340 0.000 0.000 0.208 293 L C 2.505 179.379 176.870 0.008 0.000 1.077 293 L CA 2.112 56.913 54.840 -0.066 0.000 0.747 293 L CB -0.919 41.071 42.059 -0.116 0.000 0.896 293 L HN 0.309 nan 8.230 nan 0.000 0.432 294 A N -1.122 121.700 122.820 0.003 0.000 1.930 294 A HA -0.134 4.186 4.320 0.000 0.000 0.217 294 A C 2.259 179.846 177.584 0.005 0.000 1.175 294 A CA 1.565 53.618 52.037 0.026 0.000 0.627 294 A CB -0.664 18.340 19.000 0.006 0.000 0.815 294 A HN 0.446 nan 8.150 nan 0.000 0.443 295 L N -1.198 120.006 121.223 -0.032 0.000 2.056 295 L HA -0.172 4.168 4.340 0.000 0.000 0.207 295 L C 2.813 179.632 176.870 -0.084 0.000 1.078 295 L CA 1.726 56.538 54.840 -0.047 0.000 0.749 295 L CB -0.452 41.576 42.059 -0.051 0.000 0.901 295 L HN 0.571 nan 8.230 nan 0.000 0.433 296 M N -0.962 118.544 119.600 -0.156 0.000 2.159 296 M HA -0.238 4.242 4.480 0.000 0.000 0.263 296 M C 1.325 177.393 176.300 -0.385 0.000 1.063 296 M CA 1.928 57.040 55.300 -0.312 0.000 1.110 296 M CB 0.022 32.340 32.600 -0.471 0.000 1.374 296 M HN 0.133 nan 8.290 nan 0.000 0.411 297 Y N 1.088 121.376 120.300 -0.021 0.000 2.524 297 Y HA 0.249 4.799 4.550 0.000 0.000 0.266 297 Y C 0.332 176.224 175.900 -0.014 0.000 1.180 297 Y CA -0.603 57.489 58.100 -0.015 0.000 1.244 297 Y CB -0.453 37.996 38.460 -0.019 0.000 1.125 297 Y HN 0.372 nan 8.280 nan 0.000 0.524 298 N N 1.379 120.124 118.700 0.075 0.000 2.725 298 N HA -0.243 4.497 4.740 0.000 0.000 0.251 298 N C -0.596 174.946 175.510 0.053 0.000 1.031 298 N CA 1.347 54.426 53.050 0.048 0.000 0.720 298 N CB -1.076 37.436 38.487 0.042 0.000 0.930 298 N HN 0.484 nan 8.380 nan 0.000 0.543 299 D N -1.621 118.813 120.400 0.056 0.000 3.059 299 D HA -0.197 4.443 4.640 0.000 0.000 0.222 299 D C -0.230 176.092 176.300 0.037 0.000 1.185 299 D CA 1.346 55.370 54.000 0.039 0.000 0.904 299 D CB -0.642 40.169 40.800 0.019 0.000 1.122 299 D HN 0.618 nan 8.370 nan 0.000 0.410 300 E N -0.093 120.139 120.200 0.052 0.000 2.133 300 E HA 0.351 4.701 4.350 0.000 0.000 0.274 300 E C 0.236 176.834 176.600 -0.003 0.000 0.930 300 E CA -0.441 55.977 56.400 0.029 0.000 0.770 300 E CB 1.426 31.148 29.700 0.036 0.000 1.104 300 E HN -0.023 nan 8.360 nan 0.000 0.403 301 S N 1.202 116.890 115.700 -0.019 0.000 3.410 301 S HA -0.168 4.302 4.470 0.000 0.000 0.369 301 S C 1.460 175.979 174.600 -0.136 0.000 0.961 301 S CA 0.386 58.553 58.200 -0.055 0.000 1.248 301 S CB -1.413 61.757 63.200 -0.051 0.000 0.914 301 S HN 0.463 nan 8.310 nan 0.000 0.497 302 V N 0.701 120.555 119.914 -0.099 0.000 2.231 302 V HA -0.272 3.849 4.120 0.000 0.000 0.248 302 V C 2.274 178.214 176.094 -0.256 0.000 1.054 302 V CA 2.529 64.757 62.300 -0.120 0.000 1.015 302 V CB -0.518 31.296 31.823 -0.015 0.000 0.638 302 V HN 0.692 nan 8.190 nan 0.000 0.444 303 L N -0.588 120.475 121.223 -0.266 0.000 2.046 303 L HA -0.186 4.154 4.340 0.000 0.000 0.208 303 L C 2.647 179.070 176.870 -0.745 0.000 1.077 303 L CA 1.495 56.040 54.840 -0.492 0.000 0.747 303 L CB -0.610 41.165 42.059 -0.472 0.000 0.896 303 L HN 0.343 nan 8.230 nan 0.000 0.432 304 E N 0.062 120.058 120.200 -0.341 0.000 2.085 304 E HA -0.194 4.156 4.350 0.000 0.000 0.194 304 E C 2.002 178.488 176.600 -0.190 0.000 0.994 304 E CA 1.039 57.375 56.400 -0.107 0.000 0.801 304 E CB -0.233 29.476 29.700 0.016 0.000 0.743 304 E HN 0.346 nan 8.360 nan 0.000 0.453 305 N N -0.157 118.331 118.700 -0.354 0.000 2.120 305 N HA -0.178 4.562 4.740 0.000 0.000 0.188 305 N C 1.812 177.065 175.510 -0.429 0.000 1.024 305 N CA 1.235 53.983 53.050 -0.503 0.000 0.852 305 N CB -0.285 37.547 38.487 -1.092 0.000 1.003 305 N HN 0.256 nan 8.380 nan 0.000 0.424 306 H N 0.874 119.607 119.070 -0.561 0.000 2.353 306 H HA -0.060 4.496 4.556 0.000 0.000 0.300 306 H C 1.796 177.042 175.328 -0.136 0.000 1.090 306 H CA 1.745 57.650 56.048 -0.239 0.000 1.327 306 H CB -0.139 29.490 29.762 -0.222 0.000 1.383 306 H HN 0.303 nan 8.280 nan 0.000 0.508 307 H N -0.070 118.909 119.070 -0.150 0.000 2.319 307 H HA -0.113 4.443 4.556 0.000 0.000 0.299 307 H C 2.643 177.896 175.328 -0.124 0.000 1.092 307 H CA 1.491 57.422 56.048 -0.195 0.000 1.302 307 H CB -0.603 29.093 29.762 -0.110 0.000 1.373 307 H HN 0.350 nan 8.280 nan 0.000 0.497 308 L N 0.150 121.432 121.223 0.099 0.000 2.017 308 L HA -0.149 4.191 4.340 0.000 0.000 0.208 308 L C 2.882 179.915 176.870 0.273 0.000 1.073 308 L CA 1.069 56.038 54.840 0.215 0.000 0.745 308 L CB -0.520 41.681 42.059 0.237 0.000 0.894 308 L HN 0.227 nan 8.230 nan 0.000 0.432 309 A N -0.526 122.383 122.820 0.147 0.000 1.908 309 A HA -0.165 4.155 4.320 0.000 0.000 0.218 309 A C 2.311 179.956 177.584 0.102 0.000 1.181 309 A CA 1.979 54.118 52.037 0.169 0.000 0.627 309 A CB -0.844 18.273 19.000 0.194 0.000 0.818 309 A HN 0.211 nan 8.150 nan 0.000 0.445 310 V N -0.170 119.702 119.914 -0.070 0.000 2.307 310 V HA -0.140 3.980 4.120 0.000 0.000 0.245 310 V C 2.861 178.915 176.094 -0.067 0.000 1.045 310 V CA 1.861 64.077 62.300 -0.140 0.000 1.024 310 V CB -1.566 30.067 31.823 -0.317 0.000 0.651 310 V HN 0.604 nan 8.190 nan 0.000 0.449 311 G N -0.502 108.267 108.800 -0.051 0.000 2.476 311 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 311 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 311 G C 1.486 176.443 174.900 0.095 0.000 1.164 311 G CA 1.157 46.233 45.100 -0.040 0.000 0.768 311 G HN 0.453 nan 8.290 nan 0.000 0.560 312 F N 0.903 120.992 119.950 0.232 0.000 2.206 312 F HA 0.125 4.652 4.527 0.000 0.000 0.298 312 F C 2.525 178.425 175.800 0.166 0.000 1.090 312 F CA 1.378 59.527 58.000 0.248 0.000 1.323 312 F CB -0.135 38.983 39.000 0.196 0.000 1.028 312 F HN 0.045 nan 8.300 nan 0.000 0.492 313 K N 1.132 121.693 120.400 0.268 0.000 2.103 313 K HA -0.125 4.195 4.320 0.000 0.000 0.207 313 K C 1.740 178.404 176.600 0.107 0.000 1.048 313 K CA 1.455 57.834 56.287 0.154 0.000 0.930 313 K CB -0.732 31.820 32.500 0.087 0.000 0.716 313 K HN 0.284 nan 8.250 nan 0.000 0.444 314 L N 0.474 121.746 121.223 0.082 0.000 2.362 314 L HA -0.085 4.255 4.340 0.000 0.000 0.219 314 L C 1.935 178.932 176.870 0.212 0.000 1.134 314 L CA 0.483 55.352 54.840 0.049 0.000 0.807 314 L CB -0.355 41.632 42.059 -0.120 0.000 0.927 314 L HN 0.167 nan 8.230 nan 0.000 0.447 315 L N -0.674 120.705 121.223 0.260 0.000 2.265 315 L HA -0.204 4.136 4.340 0.000 0.000 0.215 315 L C 2.198 179.132 176.870 0.106 0.000 1.117 315 L CA 1.029 55.956 54.840 0.144 0.000 0.782 315 L CB -0.316 41.783 42.059 0.066 0.000 0.914 315 L HN 0.381 nan 8.230 nan 0.000 0.441 316 Q N -0.586 119.278 119.800 0.106 0.000 2.425 316 Q HA 0.042 4.382 4.340 0.000 0.000 0.204 316 Q C 0.262 176.296 176.000 0.057 0.000 0.933 316 Q CA 0.050 55.899 55.803 0.077 0.000 0.939 316 Q CB 0.321 29.103 28.738 0.073 0.000 1.044 316 Q HN 0.509 nan 8.270 nan 0.000 0.513 317 E N 1.332 121.565 120.200 0.055 0.000 2.391 317 E HA 0.007 4.357 4.350 0.000 0.000 0.255 317 E C -0.284 176.329 176.600 0.022 0.000 1.187 317 E CA -0.332 56.085 56.400 0.028 0.000 0.941 317 E CB 0.479 30.188 29.700 0.015 0.000 1.010 317 E HN -0.008 nan 8.360 nan 0.000 0.458 318 E N 0.674 120.858 120.200 -0.027 0.000 2.585 318 E HA -0.158 4.193 4.350 0.000 0.000 0.252 318 E C -0.745 175.841 176.600 -0.023 0.000 0.981 318 E CA 0.929 57.270 56.400 -0.099 0.000 0.943 318 E CB -0.402 29.164 29.700 -0.224 0.000 0.923 318 E HN 0.583 nan 8.360 nan 0.000 0.486 319 H N 1.584 120.663 119.070 0.015 0.000 2.861 319 H HA -0.230 4.326 4.556 0.000 0.000 0.289 319 H C 0.101 175.441 175.328 0.020 0.000 1.176 319 H CA 0.273 56.330 56.048 0.014 0.000 1.146 319 H CB -1.759 28.007 29.762 0.007 0.000 1.330 319 H HN 0.497 nan 8.280 nan 0.000 0.379 320 C N -0.053 119.332 119.300 0.141 0.000 3.038 320 C HA 0.048 4.508 4.460 0.000 0.000 0.279 320 C C 1.158 176.163 174.990 0.024 0.000 1.276 320 C CA -0.272 58.828 59.018 0.137 0.000 1.697 320 C CB -0.129 27.731 27.740 0.200 0.000 2.032 320 C HN 0.470 nan 8.230 nan 0.000 0.636 321 D N 1.999 122.394 120.400 -0.009 0.000 2.470 321 D HA 0.129 4.769 4.640 0.000 0.000 0.226 321 D C 1.314 177.503 176.300 -0.186 0.000 1.196 321 D CA -0.170 53.768 54.000 -0.103 0.000 0.979 321 D CB -0.095 40.703 40.800 -0.004 0.000 1.059 321 D HN 0.592 nan 8.370 nan 0.000 0.515 322 I N -1.184 119.112 120.570 -0.455 0.000 2.916 322 I HA -0.035 4.135 4.170 0.000 0.000 0.267 322 I C 0.456 176.352 176.117 -0.367 0.000 1.263 322 I CA 0.640 61.675 61.300 -0.441 0.000 1.471 322 I CB -0.280 37.334 38.000 -0.643 0.000 1.089 322 I HN 0.015 nan 8.210 nan 0.000 0.468 323 F N 0.612 120.484 119.950 -0.130 0.000 2.664 323 F HA 0.353 4.881 4.527 0.000 0.000 0.303 323 F C 1.970 177.755 175.800 -0.026 0.000 1.092 323 F CA -0.418 57.521 58.000 -0.100 0.000 1.305 323 F CB -0.396 38.512 39.000 -0.154 0.000 1.054 323 F HN 0.049 nan 8.300 nan 0.000 0.565 324 M N 0.495 120.164 119.600 0.115 0.000 2.144 324 M HA -0.237 4.243 4.480 0.000 0.000 0.260 324 M C 0.932 177.293 176.300 0.102 0.000 1.067 324 M CA 1.855 57.212 55.300 0.094 0.000 1.095 324 M CB -0.070 32.566 32.600 0.060 0.000 1.365 324 M HN -0.024 nan 8.290 nan 0.000 0.406 325 N N 0.596 119.369 118.700 0.122 0.000 2.268 325 N HA 0.235 4.975 4.740 0.000 0.000 0.204 325 N C -0.441 175.156 175.510 0.146 0.000 1.124 325 N CA 0.199 53.320 53.050 0.119 0.000 0.838 325 N CB 0.176 38.730 38.487 0.112 0.000 0.994 325 N HN 0.372 nan 8.380 nan 0.000 0.489 326 L N 0.784 122.101 121.223 0.156 0.000 2.379 326 L HA 0.296 4.636 4.340 0.000 0.000 0.269 326 L C 1.140 178.061 176.870 0.086 0.000 1.084 326 L CA -0.573 54.354 54.840 0.145 0.000 0.802 326 L CB 0.913 43.025 42.059 0.089 0.000 1.175 326 L HN 0.040 nan 8.230 nan 0.000 0.448 327 T N -2.255 112.340 114.554 0.068 0.000 2.828 327 T HA 0.159 4.509 4.350 0.000 0.000 0.290 327 T C 1.002 175.713 174.700 0.018 0.000 1.019 327 T CA -0.696 61.429 62.100 0.041 0.000 1.031 327 T CB 1.358 70.246 68.868 0.035 0.000 1.001 327 T HN 0.519 nan 8.240 nan 0.000 0.531 328 K N 0.296 120.702 120.400 0.011 0.000 2.059 328 K HA -0.208 4.112 4.320 0.000 0.000 0.212 328 K C 2.227 178.814 176.600 -0.022 0.000 1.050 328 K CA 1.907 58.191 56.287 -0.005 0.000 0.927 328 K CB -0.287 32.210 32.500 -0.004 0.000 0.714 328 K HN 0.588 nan 8.250 nan 0.000 0.447 329 K N 1.568 121.958 120.400 -0.017 0.000 2.032 329 K HA -0.177 4.143 4.320 0.000 0.000 0.209 329 K C 1.996 178.574 176.600 -0.037 0.000 1.048 329 K CA 1.649 57.920 56.287 -0.027 0.000 0.927 329 K CB -0.151 32.338 32.500 -0.017 0.000 0.712 329 K HN 0.179 nan 8.250 nan 0.000 0.441 330 Q N -0.255 119.532 119.800 -0.021 0.000 2.084 330 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 330 Q C 2.259 178.194 176.000 -0.108 0.000 0.978 330 Q CA 1.551 57.334 55.803 -0.032 0.000 0.844 330 Q CB -0.111 28.641 28.738 0.024 0.000 0.898 330 Q HN 0.283 nan 8.270 nan 0.000 0.426 331 R N 0.461 120.895 120.500 -0.111 0.000 2.081 331 R HA -0.142 4.198 4.340 0.000 0.000 0.235 331 R C 2.265 178.472 176.300 -0.155 0.000 1.131 331 R CA 1.305 57.299 56.100 -0.177 0.000 0.960 331 R CB -0.142 30.098 30.300 -0.099 0.000 0.856 331 R HN 0.390 nan 8.270 nan 0.000 0.436 332 Q N -0.457 119.279 119.800 -0.105 0.000 2.084 332 Q HA -0.102 4.239 4.340 0.000 0.000 0.202 332 Q C 1.962 177.904 176.000 -0.098 0.000 0.978 332 Q CA 1.819 57.562 55.803 -0.099 0.000 0.844 332 Q CB -0.022 28.669 28.738 -0.078 0.000 0.898 332 Q HN 0.312 nan 8.270 nan 0.000 0.426 333 T N 1.693 116.191 114.554 -0.094 0.000 2.777 333 T HA -0.100 4.250 4.350 0.000 0.000 0.266 333 T C 1.833 176.502 174.700 -0.053 0.000 1.040 333 T CA 0.798 62.849 62.100 -0.081 0.000 1.141 333 T CB -0.197 68.626 68.868 -0.075 0.000 0.868 333 T HN 0.236 nan 8.240 nan 0.000 0.444 334 L N 0.903 122.061 121.223 -0.108 0.000 2.017 334 L HA -0.047 4.293 4.340 0.000 0.000 0.208 334 L C 2.725 179.576 176.870 -0.032 0.000 1.073 334 L CA 1.555 56.317 54.840 -0.130 0.000 0.745 334 L CB -0.247 41.592 42.059 -0.367 0.000 0.894 334 L HN 0.079 nan 8.230 nan 0.000 0.432 335 R N 0.173 120.637 120.500 -0.060 0.000 2.091 335 R HA -0.259 4.081 4.340 0.000 0.000 0.238 335 R C 2.465 178.774 176.300 0.015 0.000 1.136 335 R CA 2.089 58.182 56.100 -0.013 0.000 0.959 335 R CB -0.274 29.882 30.300 -0.240 0.000 0.856 335 R HN 0.377 nan 8.270 nan 0.000 0.437 336 K N 0.134 120.530 120.400 -0.007 0.000 2.057 336 K HA -0.157 4.163 4.320 0.000 0.000 0.207 336 K C 2.087 178.753 176.600 0.110 0.000 1.049 336 K CA 1.879 58.185 56.287 0.033 0.000 0.931 336 K CB -0.036 32.471 32.500 0.013 0.000 0.714 336 K HN 0.225 nan 8.250 nan 0.000 0.440 337 M N 0.190 119.871 119.600 0.135 0.000 2.156 337 M HA -0.135 4.345 4.480 0.000 0.000 0.264 337 M C 2.168 178.559 176.300 0.151 0.000 1.067 337 M CA 1.104 56.501 55.300 0.161 0.000 1.131 337 M CB -0.081 32.614 32.600 0.159 0.000 1.368 337 M HN -0.022 nan 8.290 nan 0.000 0.416 338 V N 0.946 120.981 119.914 0.202 0.000 2.295 338 V HA -0.265 3.855 4.120 0.000 0.000 0.246 338 V C 2.244 178.490 176.094 0.254 0.000 1.049 338 V CA 1.773 64.240 62.300 0.279 0.000 1.024 338 V CB -0.586 31.534 31.823 0.496 0.000 0.648 338 V HN 0.421 nan 8.190 nan 0.000 0.447 339 I N 0.166 120.880 120.570 0.239 0.000 2.208 339 I HA -0.258 3.912 4.170 0.000 0.000 0.245 339 I C 2.508 178.695 176.117 0.117 0.000 1.097 339 I CA 1.987 63.391 61.300 0.173 0.000 1.363 339 I CB -0.484 37.572 38.000 0.093 0.000 1.051 339 I HN 0.417 nan 8.210 nan 0.000 0.413 340 D N 0.993 121.455 120.400 0.104 0.000 2.097 340 D HA -0.204 4.436 4.640 0.000 0.000 0.195 340 D C 2.310 178.647 176.300 0.062 0.000 0.989 340 D CA 1.649 55.694 54.000 0.075 0.000 0.827 340 D CB 0.017 40.865 40.800 0.079 0.000 0.966 340 D HN 0.265 nan 8.370 nan 0.000 0.456 341 M N -0.126 119.518 119.600 0.073 0.000 2.132 341 M HA -0.131 4.349 4.480 0.000 0.000 0.263 341 M C 2.447 178.787 176.300 0.066 0.000 1.065 341 M CA 0.785 56.116 55.300 0.052 0.000 1.122 341 M CB -0.023 32.605 32.600 0.048 0.000 1.365 341 M HN -0.074 nan 8.290 nan 0.000 0.411 342 V N 0.679 120.657 119.914 0.106 0.000 2.358 342 V HA -0.218 3.902 4.120 0.000 0.000 0.246 342 V C 2.263 178.430 176.094 0.120 0.000 1.047 342 V CA 1.412 63.795 62.300 0.139 0.000 1.035 342 V CB -0.611 31.315 31.823 0.172 0.000 0.658 342 V HN 0.461 nan 8.190 nan 0.000 0.452 343 L N 0.334 121.608 121.223 0.085 0.000 2.131 343 L HA -0.128 4.212 4.340 0.000 0.000 0.210 343 L C 2.538 179.427 176.870 0.033 0.000 1.092 343 L CA 1.403 56.274 54.840 0.052 0.000 0.759 343 L CB -0.671 41.408 42.059 0.034 0.000 0.903 343 L HN 0.377 nan 8.230 nan 0.000 0.435 344 A N -0.289 122.541 122.820 0.016 0.000 2.209 344 A HA -0.112 4.208 4.320 0.000 0.000 0.212 344 A C 2.181 179.722 177.584 -0.073 0.000 1.158 344 A CA 1.465 53.475 52.037 -0.046 0.000 0.742 344 A CB -0.709 18.255 19.000 -0.060 0.000 0.790 344 A HN 0.517 nan 8.150 nan 0.000 0.472 345 T N -2.605 111.977 114.554 0.047 0.000 3.113 345 T HA 0.007 4.357 4.350 0.000 0.000 0.256 345 T C 0.520 175.319 174.700 0.165 0.000 1.131 345 T CA 0.334 62.521 62.100 0.145 0.000 1.074 345 T CB -0.340 68.674 68.868 0.245 0.000 0.944 345 T HN 0.315 nan 8.240 nan 0.000 0.516 346 D N 1.466 121.926 120.400 0.099 0.000 2.382 346 D HA 0.044 4.684 4.640 0.000 0.000 0.259 346 D C 1.199 177.559 176.300 0.100 0.000 1.224 346 D CA -0.292 53.768 54.000 0.099 0.000 0.894 346 D CB 0.764 41.596 40.800 0.054 0.000 1.127 346 D HN -0.021 nan 8.370 nan 0.000 0.487 347 M N 2.620 122.312 119.600 0.153 0.000 2.346 347 M HA -0.166 4.314 4.480 0.000 0.000 0.263 347 M C 1.990 178.384 176.300 0.157 0.000 1.064 347 M CA 0.834 56.246 55.300 0.186 0.000 1.083 347 M CB -1.168 31.545 32.600 0.188 0.000 1.399 347 M HN 0.498 nan 8.290 nan 0.000 0.435 348 S N -0.491 115.273 115.700 0.106 0.000 2.507 348 S HA -0.056 4.414 4.470 0.000 0.000 0.235 348 S C 1.479 176.123 174.600 0.073 0.000 0.988 348 S CA 0.613 58.864 58.200 0.086 0.000 0.944 348 S CB -0.136 63.098 63.200 0.057 0.000 0.762 348 S HN 0.355 nan 8.310 nan 0.000 0.526 349 K N 0.330 120.764 120.400 0.057 0.000 2.358 349 K HA 0.170 4.490 4.320 0.000 0.000 0.197 349 K C 1.353 177.950 176.600 -0.003 0.000 1.025 349 K CA 0.389 56.682 56.287 0.009 0.000 1.104 349 K CB -0.413 32.067 32.500 -0.033 0.000 0.855 349 K HN 0.600 nan 8.250 nan 0.000 0.531 350 H N 2.174 121.229 119.070 -0.025 0.000 2.265 350 H HA -0.102 4.454 4.556 0.000 0.000 0.293 350 H C 1.878 177.236 175.328 0.049 0.000 1.089 350 H CA 2.182 58.246 56.048 0.027 0.000 1.244 350 H CB 0.131 29.996 29.762 0.172 0.000 1.355 350 H HN -0.107 nan 8.280 nan 0.000 0.485 351 M N 0.167 119.716 119.600 -0.084 0.000 2.106 351 M HA -0.175 4.305 4.480 0.000 0.000 0.259 351 M C 2.486 178.713 176.300 -0.122 0.000 1.068 351 M CA 1.632 56.852 55.300 -0.133 0.000 1.100 351 M CB -1.051 31.559 32.600 0.017 0.000 1.351 351 M HN 0.311 nan 8.290 nan 0.000 0.404 352 S N 0.918 116.575 115.700 -0.072 0.000 2.356 352 S HA -0.075 4.395 4.470 0.000 0.000 0.223 352 S C 2.100 176.651 174.600 -0.080 0.000 1.032 352 S CA 1.094 59.260 58.200 -0.057 0.000 1.005 352 S CB -0.483 62.696 63.200 -0.035 0.000 0.867 352 S HN 0.433 nan 8.310 nan 0.000 0.449 353 L N 0.678 121.833 121.223 -0.113 0.000 2.046 353 L HA -0.120 4.220 4.340 0.000 0.000 0.208 353 L C 2.470 179.284 176.870 -0.093 0.000 1.077 353 L CA 0.863 55.640 54.840 -0.104 0.000 0.747 353 L CB -0.562 41.409 42.059 -0.147 0.000 0.896 353 L HN 0.277 nan 8.230 nan 0.000 0.432 354 L N 0.215 121.335 121.223 -0.172 0.000 2.017 354 L HA -0.152 4.188 4.340 0.000 0.000 0.208 354 L C 2.657 179.481 176.870 -0.076 0.000 1.073 354 L CA 2.068 56.820 54.840 -0.145 0.000 0.745 354 L CB -0.789 41.105 42.059 -0.276 0.000 0.894 354 L HN 0.145 nan 8.230 nan 0.000 0.432 355 A N -0.654 122.122 122.820 -0.073 0.000 1.865 355 A HA -0.276 4.044 4.320 0.000 0.000 0.217 355 A C 1.996 179.563 177.584 -0.028 0.000 1.191 355 A CA 2.156 54.170 52.037 -0.038 0.000 0.623 355 A CB -1.122 17.859 19.000 -0.031 0.000 0.826 355 A HN 0.545 nan 8.150 nan 0.000 0.444 356 D N -0.903 119.478 120.400 -0.031 0.000 2.178 356 D HA -0.103 4.537 4.640 0.000 0.000 0.201 356 D C 1.742 178.031 176.300 -0.017 0.000 0.980 356 D CA 1.044 55.031 54.000 -0.022 0.000 0.842 356 D CB -0.130 40.656 40.800 -0.023 0.000 0.948 356 D HN 0.348 nan 8.370 nan 0.000 0.472 357 L N 0.798 122.013 121.223 -0.014 0.000 2.044 357 L HA -0.065 4.275 4.340 0.000 0.000 0.205 357 L C 1.724 178.586 176.870 -0.013 0.000 1.075 357 L CA 1.721 56.561 54.840 -0.001 0.000 0.747 357 L CB -0.199 41.874 42.059 0.024 0.000 0.903 357 L HN -0.160 nan 8.230 nan 0.000 0.435 358 K N -1.385 119.006 120.400 -0.014 0.000 2.026 358 K HA -0.180 4.141 4.320 0.000 0.000 0.208 358 K C 2.058 178.648 176.600 -0.018 0.000 1.048 358 K CA 1.800 58.078 56.287 -0.014 0.000 0.929 358 K CB -0.539 31.957 32.500 -0.007 0.000 0.713 358 K HN 0.336 nan 8.250 nan 0.000 0.439 359 T N 0.817 115.361 114.554 -0.016 0.000 2.977 359 T HA -0.094 4.256 4.350 0.000 0.000 0.271 359 T C 1.549 176.236 174.700 -0.021 0.000 1.105 359 T CA 0.914 63.004 62.100 -0.016 0.000 1.116 359 T CB -0.037 68.823 68.868 -0.013 0.000 0.878 359 T HN 0.221 nan 8.240 nan 0.000 0.509 360 M N -0.489 119.096 119.600 -0.025 0.000 2.447 360 M HA 0.098 4.578 4.480 0.000 0.000 0.266 360 M C 1.900 178.173 176.300 -0.044 0.000 1.120 360 M CA 0.963 56.243 55.300 -0.033 0.000 1.166 360 M CB 0.152 32.733 32.600 -0.032 0.000 1.349 360 M HN 0.065 nan 8.290 nan 0.000 0.463 361 V N 1.352 121.237 119.914 -0.048 0.000 2.594 361 V HA -0.219 3.901 4.120 0.000 0.000 0.253 361 V C 1.881 177.946 176.094 -0.048 0.000 1.069 361 V CA 1.884 64.147 62.300 -0.061 0.000 1.082 361 V CB -0.952 30.834 31.823 -0.062 0.000 0.680 361 V HN 0.541 nan 8.190 nan 0.000 0.469 362 E N 0.546 120.725 120.200 -0.035 0.000 2.204 362 E HA -0.152 4.198 4.350 0.000 0.000 0.195 362 E C 1.596 178.179 176.600 -0.029 0.000 0.990 362 E CA 1.649 58.033 56.400 -0.027 0.000 0.821 362 E CB -0.121 29.568 29.700 -0.019 0.000 0.750 362 E HN 0.771 nan 8.360 nan 0.000 0.477 363 T N -0.637 113.898 114.554 -0.033 0.000 3.331 363 T HA 0.163 4.513 4.350 0.000 0.000 0.282 363 T C -0.058 174.617 174.700 -0.042 0.000 1.010 363 T CA -0.802 61.278 62.100 -0.033 0.000 0.928 363 T CB -0.275 68.577 68.868 -0.027 0.000 1.154 363 T HN 0.007 nan 8.240 nan 0.000 0.516 364 K N 0.920 121.289 120.400 -0.052 0.000 2.451 364 K HA 0.289 4.609 4.320 0.000 0.000 0.280 364 K C -0.465 176.099 176.600 -0.059 0.000 1.020 364 K CA -0.349 55.898 56.287 -0.065 0.000 1.008 364 K CB 0.406 32.857 32.500 -0.080 0.000 0.917 364 K HN -0.109 nan 8.250 nan 0.000 0.478 365 K N 3.327 123.689 120.400 -0.063 0.000 2.419 365 K HA 0.225 4.545 4.320 0.000 0.000 0.244 365 K C -1.316 175.244 176.600 -0.066 0.000 1.045 365 K CA -0.579 55.674 56.287 -0.057 0.000 1.004 365 K CB 1.392 33.861 32.500 -0.051 0.000 1.376 365 K HN 0.550 nan 8.250 nan 0.000 0.460 366 V N 2.592 122.468 119.914 -0.064 0.000 2.837 366 V HA 0.505 4.625 4.120 0.000 0.000 0.310 366 V C 0.238 176.298 176.094 -0.056 0.000 1.059 366 V CA -0.294 61.965 62.300 -0.068 0.000 1.004 366 V CB 1.781 33.562 31.823 -0.070 0.000 1.045 366 V HN 0.936 nan 8.190 nan 0.000 0.465 367 T N 1.474 115.994 114.554 -0.057 0.000 2.852 367 T HA 0.214 4.564 4.350 0.000 0.000 0.281 367 T C 1.408 176.083 174.700 -0.041 0.000 0.993 367 T CA 0.478 62.549 62.100 -0.047 0.000 0.933 367 T CB 1.024 69.864 68.868 -0.048 0.000 1.187 367 T HN 0.746 nan 8.240 nan 0.000 0.559 368 S N -0.042 115.637 115.700 -0.035 0.000 2.359 368 S HA -0.136 4.334 4.470 0.000 0.000 0.224 368 S C 2.047 176.628 174.600 -0.032 0.000 1.035 368 S CA 1.843 60.024 58.200 -0.031 0.000 1.018 368 S CB -1.222 61.963 63.200 -0.026 0.000 0.876 368 S HN 0.713 nan 8.310 nan 0.000 0.448 369 S N 0.049 115.729 115.700 -0.033 0.000 2.603 369 S HA 0.272 4.743 4.470 0.000 0.000 0.229 369 S C 1.393 175.970 174.600 -0.039 0.000 0.972 369 S CA 0.702 58.882 58.200 -0.033 0.000 0.935 369 S CB -0.220 62.961 63.200 -0.032 0.000 0.769 369 S HN 1.037 nan 8.310 nan 0.000 0.536 370 G N 0.778 109.551 108.800 -0.045 0.000 2.141 370 G HA2 -0.239 3.722 3.960 0.000 0.000 0.242 370 G HA3 -0.239 3.722 3.960 0.000 0.000 0.242 370 G C 0.040 174.900 174.900 -0.066 0.000 0.982 370 G CA -0.023 45.045 45.100 -0.054 0.000 0.662 370 G HN 0.419 nan 8.290 nan 0.000 0.527 371 V N 2.241 122.116 119.914 -0.065 0.000 2.408 371 V HA 0.419 4.539 4.120 0.000 0.000 0.267 371 V C 1.441 177.479 176.094 -0.093 0.000 1.047 371 V CA -0.630 61.624 62.300 -0.077 0.000 0.937 371 V CB 1.308 33.090 31.823 -0.068 0.000 0.999 371 V HN 0.375 nan 8.190 nan 0.000 0.472 372 L N 5.076 126.230 121.223 -0.116 0.000 2.529 372 L HA 0.090 4.430 4.340 0.000 0.000 0.287 372 L C 0.034 176.824 176.870 -0.134 0.000 1.241 372 L CA 0.442 55.203 54.840 -0.131 0.000 0.857 372 L CB 0.276 42.237 42.059 -0.163 0.000 1.113 372 L HN 0.541 nan 8.230 nan 0.000 0.504 373 L N 5.202 126.355 121.223 -0.117 0.000 2.316 373 L HA 0.471 4.811 4.340 0.000 0.000 0.280 373 L C -0.998 175.806 176.870 -0.110 0.000 1.006 373 L CA -0.374 54.402 54.840 -0.108 0.000 0.836 373 L CB 0.724 42.736 42.059 -0.078 0.000 1.221 373 L HN 0.493 nan 8.230 nan 0.000 0.418 374 L N 5.097 126.240 121.223 -0.133 0.000 2.433 374 L HA 0.336 4.676 4.340 0.000 0.000 0.256 374 L C -0.191 176.628 176.870 -0.084 0.000 1.063 374 L CA -0.394 54.376 54.840 -0.117 0.000 0.922 374 L CB 1.311 43.268 42.059 -0.170 0.000 1.238 374 L HN 0.558 nan 8.230 nan 0.000 0.466 375 D N 0.365 120.736 120.400 -0.049 0.000 2.213 375 D HA -0.054 4.586 4.640 0.000 0.000 0.205 375 D C 0.496 176.804 176.300 0.013 0.000 0.961 375 D CA 0.919 54.907 54.000 -0.021 0.000 0.853 375 D CB 0.254 41.044 40.800 -0.017 0.000 0.967 375 D HN 0.523 nan 8.370 nan 0.000 0.496 376 N N -0.207 118.502 118.700 0.015 0.000 2.499 376 N HA 0.025 4.765 4.740 0.000 0.000 0.281 376 N C 0.418 175.975 175.510 0.079 0.000 1.098 376 N CA -0.603 52.480 53.050 0.054 0.000 0.979 376 N CB 0.491 39.001 38.487 0.039 0.000 1.121 376 N HN -0.043 nan 8.380 nan 0.000 0.466 377 Y N 2.347 122.662 120.300 0.026 0.000 2.114 377 Y HA -0.270 4.280 4.550 0.000 0.000 0.282 377 Y C 1.696 177.627 175.900 0.051 0.000 1.165 377 Y CA 2.255 60.382 58.100 0.045 0.000 1.148 377 Y CB -0.732 37.751 38.460 0.038 0.000 0.972 377 Y HN 0.594 nan 8.280 nan 0.000 0.504 378 T N 0.413 114.939 114.554 -0.046 0.000 2.699 378 T HA -0.223 4.127 4.350 0.000 0.000 0.268 378 T C 1.305 175.914 174.700 -0.153 0.000 1.036 378 T CA 1.805 63.832 62.100 -0.122 0.000 1.147 378 T CB -0.404 68.475 68.868 0.018 0.000 0.862 378 T HN 0.413 nan 8.240 nan 0.000 0.446 379 D N 0.467 120.815 120.400 -0.087 0.000 2.149 379 D HA 0.024 4.664 4.640 0.000 0.000 0.201 379 D C 2.433 178.704 176.300 -0.048 0.000 0.972 379 D CA 0.712 54.677 54.000 -0.059 0.000 0.835 379 D CB -0.215 40.560 40.800 -0.041 0.000 0.966 379 D HN 0.308 nan 8.370 nan 0.000 0.476 380 R N 0.044 120.510 120.500 -0.057 0.000 2.073 380 R HA -0.086 4.254 4.340 0.000 0.000 0.234 380 R C 2.187 178.524 176.300 0.063 0.000 1.134 380 R CA 0.662 56.814 56.100 0.086 0.000 0.952 380 R CB -0.377 29.998 30.300 0.126 0.000 0.850 380 R HN 0.160 nan 8.270 nan 0.000 0.433 381 I N 1.259 121.682 120.570 -0.245 0.000 2.493 381 I HA -0.213 3.957 4.170 0.000 0.000 0.254 381 I C 2.289 178.346 176.117 -0.100 0.000 1.160 381 I CA 1.413 62.568 61.300 -0.241 0.000 1.445 381 I CB -0.247 37.442 38.000 -0.518 0.000 1.086 381 I HN 0.150 nan 8.210 nan 0.000 0.433 382 Q N -0.432 119.322 119.800 -0.076 0.000 2.172 382 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 382 Q C 2.121 178.151 176.000 0.050 0.000 0.964 382 Q CA 1.533 57.325 55.803 -0.019 0.000 0.855 382 Q CB 0.147 28.872 28.738 -0.022 0.000 0.918 382 Q HN 0.426 nan 8.270 nan 0.000 0.444 383 V N 0.931 120.907 119.914 0.102 0.000 2.453 383 V HA -0.240 3.880 4.120 0.000 0.000 0.247 383 V C 2.237 178.468 176.094 0.229 0.000 1.048 383 V CA 1.231 63.663 62.300 0.219 0.000 1.049 383 V CB -0.381 31.615 31.823 0.289 0.000 0.672 383 V HN 0.375 nan 8.190 nan 0.000 0.457 384 L N 0.373 121.655 121.223 0.098 0.000 2.056 384 L HA -0.165 4.175 4.340 0.000 0.000 0.207 384 L C 2.848 179.701 176.870 -0.027 0.000 1.078 384 L CA 2.015 56.826 54.840 -0.049 0.000 0.749 384 L CB -0.639 41.327 42.059 -0.155 0.000 0.901 384 L HN 0.422 nan 8.230 nan 0.000 0.433 385 R N -0.292 120.205 120.500 -0.005 0.000 2.092 385 R HA -0.126 4.214 4.340 0.000 0.000 0.231 385 R C 1.833 178.136 176.300 0.006 0.000 1.119 385 R CA 1.518 57.614 56.100 -0.007 0.000 0.970 385 R CB -0.567 29.727 30.300 -0.010 0.000 0.864 385 R HN 0.340 nan 8.270 nan 0.000 0.440 386 N N 0.733 119.457 118.700 0.039 0.000 2.270 386 N HA -0.129 4.611 4.740 0.000 0.000 0.181 386 N C 1.762 177.203 175.510 -0.114 0.000 1.016 386 N CA 1.424 54.506 53.050 0.054 0.000 0.870 386 N CB -0.075 38.501 38.487 0.148 0.000 0.979 386 N HN 0.355 nan 8.380 nan 0.000 0.431 387 M N 0.697 120.212 119.600 -0.141 0.000 2.099 387 M HA -0.118 4.362 4.480 0.000 0.000 0.262 387 M C 1.755 177.855 176.300 -0.333 0.000 1.067 387 M CA 1.323 56.352 55.300 -0.453 0.000 1.124 387 M CB 0.045 32.537 32.600 -0.180 0.000 1.353 387 M HN -0.152 nan 8.290 nan 0.000 0.410 388 V N -0.078 119.736 119.914 -0.168 0.000 2.407 388 V HA -0.278 3.842 4.120 0.000 0.000 0.248 388 V C 2.373 178.395 176.094 -0.120 0.000 1.055 388 V CA 2.250 64.465 62.300 -0.142 0.000 1.049 388 V CB -1.275 30.489 31.823 -0.098 0.000 0.662 388 V HN 0.603 nan 8.190 nan 0.000 0.455 389 H N -0.542 118.417 119.070 -0.186 0.000 2.387 389 H HA -0.163 4.393 4.556 0.000 0.000 0.299 389 H C 2.222 177.426 175.328 -0.206 0.000 1.090 389 H CA 2.044 58.008 56.048 -0.139 0.000 1.332 389 H CB -0.534 29.179 29.762 -0.083 0.000 1.386 389 H HN 0.418 nan 8.280 nan 0.000 0.516 390 C N 0.136 119.164 119.300 -0.452 0.000 2.446 390 C HA 0.059 4.519 4.460 0.000 0.000 0.277 390 C C 3.097 177.970 174.990 -0.194 0.000 1.275 390 C CA 0.933 59.506 59.018 -0.742 0.000 1.727 390 C CB -1.262 25.584 27.740 -1.490 0.000 2.010 390 C HN 0.773 nan 8.230 nan 0.000 0.486 391 A N 0.340 123.075 122.820 -0.142 0.000 1.933 391 A HA -0.238 4.082 4.320 0.000 0.000 0.218 391 A C 1.830 179.372 177.584 -0.070 0.000 1.175 391 A CA 2.304 54.338 52.037 -0.006 0.000 0.628 391 A CB -0.689 18.261 19.000 -0.084 0.000 0.814 391 A HN 0.569 nan 8.150 nan 0.000 0.444 392 D N -0.445 119.888 120.400 -0.112 0.000 2.178 392 D HA -0.053 4.587 4.640 0.000 0.000 0.201 392 D C 1.068 177.407 176.300 0.065 0.000 0.980 392 D CA 0.852 54.837 54.000 -0.025 0.000 0.842 392 D CB -0.090 40.718 40.800 0.014 0.000 0.948 392 D HN 0.400 nan 8.370 nan 0.000 0.472 393 L N 0.319 121.547 121.223 0.008 0.000 3.034 393 L HA 0.230 4.570 4.340 0.000 0.000 0.245 393 L C 1.268 178.281 176.870 0.237 0.000 1.295 393 L CA -0.061 54.827 54.840 0.080 0.000 1.068 393 L CB 0.313 42.320 42.059 -0.087 0.000 1.426 393 L HN 0.005 nan 8.230 nan 0.000 0.531 394 S N -2.701 113.103 115.700 0.174 0.000 2.548 394 S HA 0.004 4.474 4.470 0.000 0.000 0.215 394 S C 1.421 175.943 174.600 -0.131 0.000 0.976 394 S CA -0.171 58.111 58.200 0.136 0.000 0.908 394 S CB -0.037 63.253 63.200 0.150 0.000 0.781 394 S HN 0.393 nan 8.310 nan 0.000 0.519 395 N N 3.556 122.162 118.700 -0.156 0.000 2.061 395 N HA -0.044 4.696 4.740 0.000 0.000 0.193 395 N C -1.180 174.132 175.510 -0.331 0.000 1.030 395 N CA 1.626 54.580 53.050 -0.159 0.000 0.856 395 N CB -1.877 36.604 38.487 -0.009 0.000 1.023 395 N HN 0.403 nan 8.380 nan 0.000 0.424 396 P HA -0.020 nan 4.420 nan 0.000 0.230 396 P C 0.982 177.923 177.300 -0.599 0.000 1.158 396 P CA 1.192 63.538 63.100 -1.256 0.000 0.769 396 P CB -0.156 31.112 31.700 -0.720 0.000 0.807 397 T N -5.072 109.255 114.554 -0.378 0.000 3.107 397 T HA 0.138 4.488 4.350 0.000 0.000 0.249 397 T C 0.847 175.566 174.700 0.030 0.000 1.096 397 T CA -0.013 61.945 62.100 -0.237 0.000 1.012 397 T CB -0.256 68.336 68.868 -0.460 0.000 0.977 397 T HN -0.152 nan 8.240 nan 0.000 0.527 398 K N 1.595 121.981 120.400 -0.022 0.000 2.109 398 K HA 0.494 4.814 4.320 0.000 0.000 0.243 398 K C 0.331 176.992 176.600 0.102 0.000 1.006 398 K CA -0.599 55.712 56.287 0.040 0.000 0.917 398 K CB 1.161 33.671 32.500 0.016 0.000 1.081 398 K HN 0.113 nan 8.250 nan 0.000 0.468 399 S N 0.809 116.566 115.700 0.095 0.000 2.558 399 S HA -0.068 4.402 4.470 0.000 0.000 0.291 399 S C 1.464 176.108 174.600 0.073 0.000 1.306 399 S CA -0.327 57.912 58.200 0.065 0.000 1.056 399 S CB 0.126 63.348 63.200 0.038 0.000 0.836 399 S HN 0.488 nan 8.310 nan 0.000 0.504 400 L N 4.630 125.855 121.223 0.002 0.000 2.129 400 L HA -0.127 4.213 4.340 0.000 0.000 0.212 400 L C 2.209 178.997 176.870 -0.138 0.000 1.087 400 L CA 2.207 56.996 54.840 -0.084 0.000 0.757 400 L CB -0.785 41.047 42.059 -0.377 0.000 0.896 400 L HN 0.928 nan 8.230 nan 0.000 0.434 401 E N -0.841 119.280 120.200 -0.130 0.000 2.118 401 E HA -0.231 4.119 4.350 0.000 0.000 0.195 401 E C 2.121 178.635 176.600 -0.143 0.000 0.992 401 E CA 1.550 57.856 56.400 -0.157 0.000 0.804 401 E CB -0.123 29.502 29.700 -0.125 0.000 0.741 401 E HN 0.626 nan 8.360 nan 0.000 0.458 402 L N -0.269 120.944 121.223 -0.017 0.000 2.102 402 L HA -0.106 4.234 4.340 0.000 0.000 0.202 402 L C 2.601 179.566 176.870 0.158 0.000 1.076 402 L CA 0.747 55.615 54.840 0.046 0.000 0.761 402 L CB -0.725 41.473 42.059 0.232 0.000 0.921 402 L HN 0.240 nan 8.230 nan 0.000 0.444 403 Y N 1.704 122.106 120.300 0.171 0.000 2.114 403 Y HA -0.276 4.274 4.550 0.000 0.000 0.282 403 Y C 2.759 178.794 175.900 0.225 0.000 1.165 403 Y CA 1.495 59.777 58.100 0.303 0.000 1.148 403 Y CB -0.477 38.121 38.460 0.230 0.000 0.972 403 Y HN 0.035 nan 8.280 nan 0.000 0.504 404 R N -0.005 120.500 120.500 0.009 0.000 2.105 404 R HA -0.197 4.143 4.340 0.000 0.000 0.239 404 R C 2.234 178.477 176.300 -0.095 0.000 1.135 404 R CA 1.780 57.815 56.100 -0.109 0.000 0.967 404 R CB -0.318 29.853 30.300 -0.216 0.000 0.861 404 R HN 0.589 nan 8.270 nan 0.000 0.442 405 Q N -1.090 118.573 119.800 -0.229 0.000 2.119 405 Q HA -0.170 4.170 4.340 0.000 0.000 0.201 405 Q C 1.875 177.773 176.000 -0.170 0.000 0.972 405 Q CA 1.419 56.975 55.803 -0.411 0.000 0.847 405 Q CB -0.105 28.013 28.738 -1.033 0.000 0.903 405 Q HN 0.462 nan 8.270 nan 0.000 0.433 406 W N 0.386 121.789 121.300 0.171 0.000 2.388 406 W HA -0.145 4.516 4.660 0.000 0.000 0.294 406 W C 2.371 178.983 176.519 0.156 0.000 1.212 406 W CA 1.009 58.522 57.345 0.281 0.000 1.271 406 W CB -0.152 29.536 29.460 0.381 0.000 1.126 406 W HN 0.078 nan 8.180 nan 0.000 0.535 407 T N -0.088 114.636 114.554 0.284 0.000 2.777 407 T HA -0.191 4.159 4.350 0.000 0.000 0.266 407 T C 1.094 175.773 174.700 -0.035 0.000 1.040 407 T CA 1.669 63.801 62.100 0.053 0.000 1.141 407 T CB -0.523 68.344 68.868 -0.001 0.000 0.868 407 T HN 0.046 nan 8.240 nan 0.000 0.444 408 D N 1.066 121.461 120.400 -0.008 0.000 2.123 408 D HA -0.061 4.579 4.640 0.000 0.000 0.196 408 D C 2.388 178.658 176.300 -0.049 0.000 0.992 408 D CA 1.038 55.016 54.000 -0.038 0.000 0.833 408 D CB -0.200 40.568 40.800 -0.053 0.000 0.954 408 D HN 0.342 nan 8.370 nan 0.000 0.455 409 R N -0.103 120.413 120.500 0.026 0.000 2.066 409 R HA -0.054 4.286 4.340 0.000 0.000 0.232 409 R C 2.357 178.656 176.300 -0.003 0.000 1.131 409 R CA 0.503 56.653 56.100 0.085 0.000 0.955 409 R CB -0.350 30.101 30.300 0.252 0.000 0.851 409 R HN 0.111 nan 8.270 nan 0.000 0.432 410 I N 0.609 121.105 120.570 -0.124 0.000 2.361 410 I HA -0.235 3.935 4.170 0.000 0.000 0.251 410 I C 1.799 177.448 176.117 -0.780 0.000 1.133 410 I CA 1.490 62.415 61.300 -0.625 0.000 1.413 410 I CB 0.021 37.389 38.000 -1.054 0.000 1.073 410 I HN 0.133 nan 8.210 nan 0.000 0.424 411 M N -0.436 118.785 119.600 -0.632 0.000 2.132 411 M HA -0.167 4.313 4.480 0.000 0.000 0.263 411 M C 2.222 177.980 176.300 -0.902 0.000 1.065 411 M CA 1.425 56.212 55.300 -0.855 0.000 1.122 411 M CB -1.465 30.756 32.600 -0.631 0.000 1.365 411 M HN 0.361 nan 8.290 nan 0.000 0.411 412 E N 0.446 120.414 120.200 -0.388 0.000 2.085 412 E HA -0.249 4.101 4.350 0.000 0.000 0.194 412 E C 1.952 178.522 176.600 -0.051 0.000 0.994 412 E CA 1.511 57.845 56.400 -0.109 0.000 0.801 412 E CB 0.029 29.727 29.700 -0.003 0.000 0.743 412 E HN 0.575 nan 8.360 nan 0.000 0.453 413 E N -0.415 119.748 120.200 -0.061 0.000 2.072 413 E HA -0.165 4.185 4.350 0.000 0.000 0.191 413 E C 1.894 178.603 176.600 0.182 0.000 0.985 413 E CA 0.969 57.412 56.400 0.072 0.000 0.801 413 E CB -0.194 29.572 29.700 0.110 0.000 0.750 413 E HN 0.374 nan 8.360 nan 0.000 0.452 414 F N -0.477 119.340 119.950 -0.222 0.000 2.171 414 F HA -0.188 4.339 4.527 0.000 0.000 0.300 414 F C 1.905 177.691 175.800 -0.024 0.000 1.090 414 F CA 0.039 57.931 58.000 -0.180 0.000 1.293 414 F CB -0.062 38.761 39.000 -0.296 0.000 1.013 414 F HN 0.109 nan 8.300 nan 0.000 0.486 415 F N 0.598 120.648 119.950 0.166 0.000 2.186 415 F HA -0.178 4.349 4.527 0.000 0.000 0.299 415 F C 2.395 178.222 175.800 0.045 0.000 1.090 415 F CA 0.833 58.875 58.000 0.069 0.000 1.307 415 F CB -1.416 37.598 39.000 0.023 0.000 1.019 415 F HN 0.034 nan 8.300 nan 0.000 0.489 416 Q N -0.241 119.690 119.800 0.219 0.000 2.119 416 Q HA -0.245 4.095 4.340 0.000 0.000 0.201 416 Q C 2.289 178.329 176.000 0.067 0.000 0.972 416 Q CA 1.528 57.405 55.803 0.123 0.000 0.847 416 Q CB -0.313 28.481 28.738 0.092 0.000 0.903 416 Q HN 0.515 nan 8.270 nan 0.000 0.433 417 Q N -0.115 119.708 119.800 0.038 0.000 2.084 417 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 417 Q C 2.025 178.054 176.000 0.050 0.000 0.978 417 Q CA 1.521 57.285 55.803 -0.065 0.000 0.844 417 Q CB -0.292 28.368 28.738 -0.130 0.000 0.898 417 Q HN 0.434 nan 8.270 nan 0.000 0.426 418 G N 0.703 109.566 108.800 0.106 0.000 2.442 418 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 418 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 418 G C 0.963 175.932 174.900 0.115 0.000 1.141 418 G CA 1.133 46.309 45.100 0.127 0.000 0.763 418 G HN 0.397 nan 8.290 nan 0.000 0.554 419 D N 0.738 121.201 120.400 0.105 0.000 2.117 419 D HA -0.049 4.591 4.640 0.000 0.000 0.198 419 D C 2.509 178.870 176.300 0.101 0.000 0.982 419 D CA 0.877 54.929 54.000 0.087 0.000 0.828 419 D CB -0.181 40.664 40.800 0.075 0.000 0.967 419 D HN 0.318 nan 8.370 nan 0.000 0.464 420 K N 0.740 121.207 120.400 0.112 0.000 2.057 420 K HA -0.128 4.192 4.320 0.000 0.000 0.207 420 K C 2.106 178.860 176.600 0.257 0.000 1.049 420 K CA 0.932 57.322 56.287 0.171 0.000 0.931 420 K CB -0.062 32.516 32.500 0.130 0.000 0.714 420 K HN 0.248 nan 8.250 nan 0.000 0.440 421 E N 0.524 120.895 120.200 0.285 0.000 2.051 421 E HA -0.187 4.163 4.350 0.000 0.000 0.192 421 E C 2.223 178.893 176.600 0.115 0.000 0.991 421 E CA 0.756 57.289 56.400 0.222 0.000 0.799 421 E CB -0.031 29.786 29.700 0.196 0.000 0.748 421 E HN 0.175 nan 8.360 nan 0.000 0.449 422 R N 1.452 122.013 120.500 0.102 0.000 2.073 422 R HA -0.189 4.151 4.340 0.000 0.000 0.234 422 R C 1.821 178.159 176.300 0.063 0.000 1.134 422 R CA 1.655 57.797 56.100 0.071 0.000 0.952 422 R CB -0.139 30.202 30.300 0.067 0.000 0.850 422 R HN 0.235 nan 8.270 nan 0.000 0.433 423 E N -0.053 120.192 120.200 0.075 0.000 2.118 423 E HA -0.184 4.166 4.350 0.000 0.000 0.195 423 E C 1.700 178.334 176.600 0.056 0.000 0.992 423 E CA 1.220 57.659 56.400 0.065 0.000 0.804 423 E CB -0.031 29.714 29.700 0.076 0.000 0.741 423 E HN 0.344 nan 8.360 nan 0.000 0.458 424 R N -0.421 120.118 120.500 0.065 0.000 2.388 424 R HA 0.135 4.475 4.340 0.000 0.000 0.247 424 R C 0.739 177.043 176.300 0.007 0.000 0.931 424 R CA 0.413 56.533 56.100 0.034 0.000 1.082 424 R CB 0.640 30.958 30.300 0.030 0.000 1.135 424 R HN 0.189 nan 8.270 nan 0.000 0.525 425 G N 1.686 110.496 108.800 0.016 0.000 2.198 425 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 425 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 425 G C 0.064 174.960 174.900 -0.006 0.000 1.025 425 G CA 0.331 45.434 45.100 0.005 0.000 0.769 425 G HN 0.218 nan 8.290 nan 0.000 0.507 426 M N 0.253 119.851 119.600 -0.004 0.000 2.478 426 M HA 0.430 4.910 4.480 0.000 0.000 0.327 426 M C 0.666 176.970 176.300 0.007 0.000 1.187 426 M CA -0.791 54.497 55.300 -0.020 0.000 1.022 426 M CB 1.282 33.850 32.600 -0.055 0.000 1.629 426 M HN 0.314 nan 8.290 nan 0.000 0.461 427 E N 2.672 122.872 120.200 -0.000 0.000 2.392 427 E HA 0.075 4.425 4.350 0.000 0.000 0.264 427 E C -1.002 175.616 176.600 0.030 0.000 1.024 427 E CA -0.272 56.136 56.400 0.013 0.000 0.903 427 E CB 0.672 30.374 29.700 0.004 0.000 0.963 427 E HN 0.453 nan 8.360 nan 0.000 0.432 428 I N 3.236 123.830 120.570 0.041 0.000 2.496 428 I HA 0.005 4.175 4.170 0.000 0.000 0.285 428 I C 0.638 176.782 176.117 0.045 0.000 1.080 428 I CA -0.098 61.237 61.300 0.057 0.000 1.404 428 I CB 0.570 38.609 38.000 0.065 0.000 1.403 428 I HN 0.437 nan 8.210 nan 0.000 0.539 429 S N 7.911 123.637 115.700 0.042 0.000 2.585 429 S HA 0.224 4.695 4.470 0.000 0.000 0.273 429 S C -2.140 172.466 174.600 0.009 0.000 1.339 429 S CA -0.743 57.463 58.200 0.010 0.000 1.028 429 S CB 0.335 63.521 63.200 -0.025 0.000 0.906 429 S HN 0.427 nan 8.310 nan 0.000 0.528 430 P HA 0.099 nan 4.420 nan 0.000 0.264 430 P C 0.310 177.631 177.300 0.036 0.000 1.193 430 P CA 0.614 63.728 63.100 0.023 0.000 0.763 430 P CB 0.062 31.770 31.700 0.014 0.000 0.810 431 M N -0.109 119.555 119.600 0.107 0.000 2.939 431 M HA -0.244 4.236 4.480 0.000 0.000 0.194 431 M C 0.105 176.577 176.300 0.287 0.000 0.617 431 M CA 0.608 56.027 55.300 0.199 0.000 0.734 431 M CB -2.576 30.157 32.600 0.222 0.000 2.637 431 M HN 0.345 nan 8.290 nan 0.000 0.316 432 C N 0.362 119.784 119.300 0.204 0.000 2.906 432 C HA 0.200 4.660 4.460 0.000 0.000 0.274 432 C C 0.885 176.079 174.990 0.340 0.000 1.257 432 C CA -0.223 58.956 59.018 0.268 0.000 1.695 432 C CB -0.442 27.348 27.740 0.083 0.000 1.958 432 C HN 0.416 nan 8.230 nan 0.000 0.619 433 D N 1.298 121.846 120.400 0.247 0.000 2.427 433 D HA 0.089 4.729 4.640 0.000 0.000 0.226 433 D C 0.991 177.213 176.300 -0.130 0.000 1.076 433 D CA -0.028 54.013 54.000 0.068 0.000 0.849 433 D CB 0.771 41.613 40.800 0.070 0.000 1.052 433 D HN 0.235 nan 8.370 nan 0.000 0.515 434 K N 3.332 123.332 120.400 -0.668 0.000 2.103 434 K HA -0.194 4.127 4.320 0.000 0.000 0.207 434 K C 1.208 177.469 176.600 -0.565 0.000 1.048 434 K CA 1.183 56.721 56.287 -1.250 0.000 0.930 434 K CB 0.088 31.690 32.500 -1.495 0.000 0.716 434 K HN 0.505 nan 8.250 nan 0.000 0.444 435 H N -0.505 118.427 119.070 -0.229 0.000 2.457 435 H HA -0.049 4.507 4.556 0.000 0.000 0.294 435 H C 1.455 176.748 175.328 -0.059 0.000 1.064 435 H CA 1.733 57.710 56.048 -0.118 0.000 1.330 435 H CB 0.060 29.773 29.762 -0.081 0.000 1.395 435 H HN 0.433 nan 8.280 nan 0.000 0.541 436 T N -2.446 112.147 114.554 0.065 0.000 3.182 436 T HA 0.597 4.947 4.350 0.000 0.000 0.277 436 T C 0.625 175.373 174.700 0.081 0.000 1.013 436 T CA -0.155 61.986 62.100 0.070 0.000 0.900 436 T CB 0.055 68.965 68.868 0.071 0.000 1.098 436 T HN 0.288 nan 8.240 nan 0.000 0.543 437 A N 1.672 124.547 122.820 0.091 0.000 2.340 437 A HA 0.659 4.979 4.320 0.000 0.000 0.268 437 A C 0.626 178.287 177.584 0.127 0.000 1.100 437 A CA -0.563 51.575 52.037 0.168 0.000 0.803 437 A CB 0.458 19.671 19.000 0.355 0.000 1.043 437 A HN 0.759 nan 8.150 nan 0.000 0.488 438 S N 2.071 117.840 115.700 0.116 0.000 2.130 438 S HA 0.341 4.811 4.470 0.000 0.000 0.165 438 S C 0.737 175.383 174.600 0.075 0.000 1.677 438 S CA -0.318 57.933 58.200 0.085 0.000 1.227 438 S CB 0.169 63.410 63.200 0.069 0.000 1.115 438 S HN 0.526 nan 8.310 nan 0.000 0.452 439 V N 2.090 122.056 119.914 0.087 0.000 2.233 439 V HA -0.299 3.821 4.120 0.000 0.000 0.252 439 V C 2.573 178.673 176.094 0.010 0.000 1.063 439 V CA 2.539 64.867 62.300 0.046 0.000 1.032 439 V CB -0.949 30.927 31.823 0.087 0.000 0.645 439 V HN 0.648 nan 8.190 nan 0.000 0.446 440 E N 0.155 120.405 120.200 0.083 0.000 2.038 440 E HA -0.206 4.144 4.350 0.000 0.000 0.195 440 E C 2.219 178.852 176.600 0.056 0.000 1.000 440 E CA 1.434 57.913 56.400 0.132 0.000 0.803 440 E CB -0.384 29.401 29.700 0.141 0.000 0.750 440 E HN 0.554 nan 8.360 nan 0.000 0.448 441 K N 0.311 120.747 120.400 0.059 0.000 2.074 441 K HA -0.110 4.210 4.320 0.000 0.000 0.209 441 K C 2.373 179.015 176.600 0.070 0.000 1.048 441 K CA 1.500 57.827 56.287 0.067 0.000 0.926 441 K CB -0.218 32.322 32.500 0.066 0.000 0.713 441 K HN -0.015 nan 8.250 nan 0.000 0.444 442 S N 0.937 116.665 115.700 0.045 0.000 2.368 442 S HA -0.141 4.329 4.470 0.000 0.000 0.225 442 S C 1.896 176.529 174.600 0.056 0.000 1.030 442 S CA 1.060 59.288 58.200 0.047 0.000 0.999 442 S CB -0.118 63.084 63.200 0.003 0.000 0.844 442 S HN 0.263 nan 8.310 nan 0.000 0.459 443 Q N 0.728 120.495 119.800 -0.055 0.000 2.079 443 Q HA -0.007 4.333 4.340 0.000 0.000 0.200 443 Q C 2.471 178.537 176.000 0.110 0.000 0.974 443 Q CA 0.959 56.729 55.803 -0.055 0.000 0.840 443 Q CB -0.885 27.471 28.738 -0.636 0.000 0.898 443 Q HN 0.431 nan 8.270 nan 0.000 0.430 444 V N 0.429 120.395 119.914 0.087 0.000 2.295 444 V HA -0.216 3.904 4.120 0.000 0.000 0.246 444 V C 2.323 178.502 176.094 0.142 0.000 1.049 444 V CA 2.035 64.413 62.300 0.129 0.000 1.024 444 V CB -1.261 30.631 31.823 0.115 0.000 0.648 444 V HN 0.450 nan 8.190 nan 0.000 0.447 445 G N -0.925 107.994 108.800 0.198 0.000 2.418 445 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 445 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 445 G C 1.545 176.666 174.900 0.368 0.000 1.158 445 G CA 0.945 46.240 45.100 0.326 0.000 0.771 445 G HN 0.457 nan 8.290 nan 0.000 0.545 446 F N 1.576 121.606 119.950 0.133 0.000 2.126 446 F HA -0.035 4.493 4.527 0.000 0.000 0.299 446 F C 2.374 178.237 175.800 0.105 0.000 1.096 446 F CA 0.968 59.030 58.000 0.104 0.000 1.255 446 F CB -0.218 38.807 39.000 0.043 0.000 0.997 446 F HN 0.135 nan 8.300 nan 0.000 0.479 447 I N -0.248 120.331 120.570 0.014 0.000 2.235 447 I HA -0.239 3.932 4.170 0.000 0.000 0.241 447 I C 2.087 178.185 176.117 -0.032 0.000 1.085 447 I CA 1.275 62.531 61.300 -0.073 0.000 1.378 447 I CB -0.629 37.401 38.000 0.051 0.000 1.076 447 I HN -0.021 nan 8.210 nan 0.000 0.415 448 D N 0.529 120.878 120.400 -0.085 0.000 2.123 448 D HA -0.205 4.435 4.640 0.000 0.000 0.196 448 D C 1.929 178.027 176.300 -0.337 0.000 0.992 448 D CA 1.863 55.686 54.000 -0.295 0.000 0.833 448 D CB -0.283 40.184 40.800 -0.554 0.000 0.954 448 D HN 0.393 nan 8.370 nan 0.000 0.455 449 Y N -0.601 119.738 120.300 0.065 0.000 2.510 449 Y HA 0.274 4.824 4.550 0.000 0.000 0.273 449 Y C 2.083 178.037 175.900 0.090 0.000 1.119 449 Y CA 0.114 58.265 58.100 0.086 0.000 1.286 449 Y CB 0.480 38.998 38.460 0.096 0.000 1.061 449 Y HN -0.044 nan 8.280 nan 0.000 0.542 450 I N -2.835 117.796 120.570 0.103 0.000 3.814 450 I HA -0.055 4.115 4.170 0.000 0.000 0.264 450 I C 1.649 177.697 176.117 -0.115 0.000 1.145 450 I CA 0.254 61.536 61.300 -0.030 0.000 1.375 450 I CB -0.144 37.726 38.000 -0.217 0.000 1.638 450 I HN -0.257 nan 8.210 nan 0.000 0.432 451 V N 1.411 121.135 119.914 -0.316 0.000 2.307 451 V HA -0.272 3.848 4.120 0.000 0.000 0.245 451 V C 2.462 178.627 176.094 0.119 0.000 1.045 451 V CA 2.141 64.342 62.300 -0.163 0.000 1.024 451 V CB -0.974 30.638 31.823 -0.351 0.000 0.651 451 V HN 0.479 nan 8.190 nan 0.000 0.449 452 H N 0.984 120.063 119.070 0.016 0.000 2.321 452 H HA -0.091 4.465 4.556 0.000 0.000 0.300 452 H C -0.006 175.385 175.328 0.105 0.000 1.087 452 H CA 2.176 58.270 56.048 0.077 0.000 1.319 452 H CB -1.013 28.755 29.762 0.011 0.000 1.379 452 H HN 0.307 nan 8.280 nan 0.000 0.501 453 P HA -0.149 nan 4.420 nan 0.000 0.216 453 P C 1.920 179.281 177.300 0.101 0.000 1.150 453 P CA 0.957 64.165 63.100 0.179 0.000 0.837 453 P CB -0.148 31.667 31.700 0.192 0.000 0.786 454 L N -1.829 119.451 121.223 0.095 0.000 2.005 454 L HA -0.028 4.312 4.340 0.000 0.000 0.207 454 L C 2.022 178.838 176.870 -0.090 0.000 1.072 454 L CA 1.750 56.588 54.840 -0.004 0.000 0.744 454 L CB -1.425 40.601 42.059 -0.056 0.000 0.895 454 L HN -0.056 nan 8.230 nan 0.000 0.433 455 W N 0.346 121.618 121.300 -0.046 0.000 2.425 455 W HA -0.107 4.553 4.660 0.000 0.000 0.277 455 W C 2.635 179.124 176.519 -0.049 0.000 1.231 455 W CA 1.355 58.675 57.345 -0.042 0.000 1.248 455 W CB -0.107 29.279 29.460 -0.125 0.000 1.117 455 W HN 0.291 nan 8.180 nan 0.000 0.568 456 E N -0.313 119.900 120.200 0.021 0.000 2.077 456 E HA -0.188 4.162 4.350 0.000 0.000 0.193 456 E C 1.854 178.478 176.600 0.040 0.000 0.989 456 E CA 1.906 58.285 56.400 -0.034 0.000 0.800 456 E CB -0.076 29.574 29.700 -0.084 0.000 0.746 456 E HN 0.113 nan 8.360 nan 0.000 0.452 457 T N 0.750 115.333 114.554 0.048 0.000 2.777 457 T HA -0.167 4.183 4.350 0.000 0.000 0.266 457 T C 1.253 175.978 174.700 0.042 0.000 1.040 457 T CA 1.060 63.181 62.100 0.035 0.000 1.141 457 T CB -0.418 68.468 68.868 0.030 0.000 0.868 457 T HN 0.437 nan 8.240 nan 0.000 0.444 458 W N 2.231 123.471 121.300 -0.100 0.000 2.355 458 W HA -0.088 4.572 4.660 0.000 0.000 0.309 458 W C 2.442 178.940 176.519 -0.035 0.000 1.206 458 W CA 1.236 58.514 57.345 -0.111 0.000 1.284 458 W CB -0.550 28.755 29.460 -0.258 0.000 1.145 458 W HN 0.293 nan 8.180 nan 0.000 0.502 459 A N 0.288 123.196 122.820 0.146 0.000 2.019 459 A HA -0.261 4.060 4.320 0.000 0.000 0.219 459 A C 1.881 179.420 177.584 -0.075 0.000 1.164 459 A CA 2.035 54.103 52.037 0.051 0.000 0.644 459 A CB -1.101 17.970 19.000 0.118 0.000 0.805 459 A HN 0.413 nan 8.150 nan 0.000 0.449 460 D N -0.406 119.950 120.400 -0.074 0.000 2.123 460 D HA -0.114 4.526 4.640 0.000 0.000 0.200 460 D C 1.869 178.078 176.300 -0.153 0.000 0.976 460 D CA 1.321 55.270 54.000 -0.085 0.000 0.831 460 D CB -0.043 40.726 40.800 -0.051 0.000 0.974 460 D HN 0.326 nan 8.370 nan 0.000 0.469 461 L N 0.987 122.068 121.223 -0.237 0.000 2.083 461 L HA -0.115 4.225 4.340 0.000 0.000 0.209 461 L C 1.955 178.602 176.870 -0.371 0.000 1.083 461 L CA 1.516 56.166 54.840 -0.317 0.000 0.752 461 L CB -0.244 41.554 42.059 -0.434 0.000 0.899 461 L HN 0.084 nan 8.230 nan 0.000 0.433 462 V N -1.949 117.693 119.914 -0.453 0.000 3.214 462 V HA 0.221 4.341 4.120 0.000 0.000 0.330 462 V C 0.607 176.585 176.094 -0.194 0.000 1.403 462 V CA -0.358 61.729 62.300 -0.355 0.000 1.143 462 V CB -1.209 30.338 31.823 -0.460 0.000 1.098 462 V HN 0.593 nan 8.190 nan 0.000 0.463 463 Q N 2.048 121.756 119.800 -0.154 0.000 2.326 463 Q HA 0.158 4.498 4.340 0.000 0.000 0.314 463 Q C -1.704 174.251 176.000 -0.075 0.000 1.091 463 Q CA -0.299 55.449 55.803 -0.091 0.000 0.974 463 Q CB 0.035 28.731 28.738 -0.071 0.000 1.220 463 Q HN 0.441 nan 8.270 nan 0.000 0.398 464 P HA 0.097 nan 4.420 nan 0.000 0.259 464 P C -0.533 176.743 177.300 -0.040 0.000 1.530 464 P CA -0.193 62.881 63.100 -0.043 0.000 1.022 464 P CB 0.446 32.127 31.700 -0.032 0.000 1.514 465 D N 1.885 122.258 120.400 -0.045 0.000 2.133 465 D HA -0.156 4.484 4.640 0.000 0.000 0.195 465 D C 1.563 177.843 176.300 -0.034 0.000 0.997 465 D CA 1.615 55.594 54.000 -0.034 0.000 0.840 465 D CB -0.408 40.378 40.800 -0.023 0.000 0.947 465 D HN 0.249 nan 8.370 nan 0.000 0.452 466 A N 0.370 123.190 122.820 -0.001 0.000 2.411 466 A HA 0.050 4.370 4.320 0.000 0.000 0.251 466 A C 1.757 179.321 177.584 -0.034 0.000 1.317 466 A CA -0.013 52.028 52.037 0.006 0.000 0.904 466 A CB 0.102 19.234 19.000 0.220 0.000 0.993 466 A HN -0.042 nan 8.150 nan 0.000 0.504 467 Q N 1.068 120.843 119.800 -0.040 0.000 2.050 467 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 467 Q C 0.987 176.953 176.000 -0.057 0.000 0.980 467 Q CA 2.526 58.308 55.803 -0.035 0.000 0.840 467 Q CB -0.324 28.399 28.738 -0.025 0.000 0.898 467 Q HN 0.673 nan 8.270 nan 0.000 0.424 468 D N -0.264 120.089 120.400 -0.079 0.000 2.104 468 D HA -0.164 4.476 4.640 0.000 0.000 0.194 468 D C 1.788 178.013 176.300 -0.125 0.000 0.994 468 D CA 1.718 55.669 54.000 -0.083 0.000 0.830 468 D CB -0.177 40.572 40.800 -0.085 0.000 0.959 468 D HN 0.319 nan 8.370 nan 0.000 0.452 469 I N 0.021 120.452 120.570 -0.231 0.000 2.163 469 I HA -0.243 3.927 4.170 0.000 0.000 0.243 469 I C 2.178 178.148 176.117 -0.244 0.000 1.085 469 I CA 0.582 61.677 61.300 -0.342 0.000 1.347 469 I CB -0.175 37.450 38.000 -0.626 0.000 1.044 469 I HN 0.047 nan 8.210 nan 0.000 0.408 470 L N 0.687 121.817 121.223 -0.154 0.000 2.083 470 L HA -0.252 4.088 4.340 0.000 0.000 0.209 470 L C 2.039 178.890 176.870 -0.032 0.000 1.083 470 L CA 1.962 56.751 54.840 -0.085 0.000 0.752 470 L CB -0.726 41.316 42.059 -0.029 0.000 0.899 470 L HN 0.231 nan 8.230 nan 0.000 0.433 471 D N -1.572 118.813 120.400 -0.026 0.000 2.117 471 D HA -0.147 4.493 4.640 0.000 0.000 0.198 471 D C 2.018 178.327 176.300 0.014 0.000 0.982 471 D CA 1.797 55.801 54.000 0.007 0.000 0.828 471 D CB -0.231 40.570 40.800 0.002 0.000 0.967 471 D HN 0.331 nan 8.370 nan 0.000 0.464 472 T N 1.715 116.261 114.554 -0.012 0.000 2.746 472 T HA -0.142 4.208 4.350 0.000 0.000 0.267 472 T C 1.962 176.675 174.700 0.021 0.000 1.039 472 T CA 0.528 62.633 62.100 0.009 0.000 1.142 472 T CB -0.355 68.516 68.868 0.005 0.000 0.866 472 T HN 0.021 nan 8.240 nan 0.000 0.444 473 L N 1.557 122.761 121.223 -0.033 0.000 1.989 473 L HA -0.115 4.225 4.340 0.000 0.000 0.211 473 L C 2.294 179.220 176.870 0.093 0.000 1.071 473 L CA 1.902 56.729 54.840 -0.023 0.000 0.749 473 L CB -0.747 41.252 42.059 -0.099 0.000 0.890 473 L HN 0.271 nan 8.230 nan 0.000 0.431 474 E N -0.655 119.611 120.200 0.111 0.000 2.110 474 E HA -0.241 4.109 4.350 0.000 0.000 0.193 474 E C 1.821 178.501 176.600 0.133 0.000 0.988 474 E CA 1.428 57.908 56.400 0.134 0.000 0.804 474 E CB -0.200 29.574 29.700 0.123 0.000 0.745 474 E HN 0.574 nan 8.360 nan 0.000 0.458 475 D N 0.348 120.819 120.400 0.118 0.000 2.097 475 D HA -0.120 4.520 4.640 0.000 0.000 0.195 475 D C 1.648 178.073 176.300 0.207 0.000 0.989 475 D CA 0.848 54.927 54.000 0.132 0.000 0.827 475 D CB -0.152 40.703 40.800 0.092 0.000 0.966 475 D HN 0.074 nan 8.370 nan 0.000 0.456 476 N N 0.308 119.151 118.700 0.238 0.000 2.188 476 N HA -0.122 4.618 4.740 0.000 0.000 0.184 476 N C 1.763 177.591 175.510 0.531 0.000 1.018 476 N CA 0.409 53.697 53.050 0.397 0.000 0.858 476 N CB -0.156 38.628 38.487 0.495 0.000 0.989 476 N HN 0.114 nan 8.380 nan 0.000 0.426 477 R N 1.682 122.415 120.500 0.388 0.000 2.083 477 R HA -0.034 4.306 4.340 0.000 0.000 0.237 477 R C 1.176 177.651 176.300 0.292 0.000 1.137 477 R CA 1.252 57.557 56.100 0.341 0.000 0.951 477 R CB -0.478 29.941 30.300 0.199 0.000 0.851 477 R HN 0.238 nan 8.270 nan 0.000 0.434 478 N N -0.125 118.709 118.700 0.223 0.000 2.223 478 N HA -0.189 4.551 4.740 0.000 0.000 0.185 478 N C 1.445 177.057 175.510 0.169 0.000 1.016 478 N CA 1.204 54.350 53.050 0.160 0.000 0.863 478 N CB -0.565 37.994 38.487 0.121 0.000 0.983 478 N HN 0.349 nan 8.380 nan 0.000 0.429 479 W N 1.127 122.469 121.300 0.070 0.000 2.355 479 W HA -0.147 4.513 4.660 0.000 0.000 0.309 479 W C 1.797 178.297 176.519 -0.031 0.000 1.206 479 W CA 1.146 58.484 57.345 -0.012 0.000 1.284 479 W CB -0.621 28.795 29.460 -0.074 0.000 1.145 479 W HN -0.009 nan 8.180 nan 0.000 0.502 480 Y N 0.740 121.129 120.300 0.147 0.000 2.293 480 Y HA -0.262 4.288 4.550 0.000 0.000 0.291 480 Y C 2.678 178.501 175.900 -0.128 0.000 1.137 480 Y CA 2.222 60.292 58.100 -0.050 0.000 1.202 480 Y CB -1.155 37.406 38.460 0.168 0.000 0.990 480 Y HN 0.095 nan 8.280 nan 0.000 0.537 481 Q N 0.565 120.431 119.800 0.110 0.000 2.030 481 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 481 Q C 2.294 178.262 176.000 -0.053 0.000 0.986 481 Q CA 2.635 58.464 55.803 0.042 0.000 0.843 481 Q CB -0.654 28.118 28.738 0.056 0.000 0.904 481 Q HN 0.376 nan 8.270 nan 0.000 0.420 482 S N -1.325 114.302 115.700 -0.123 0.000 2.515 482 S HA -0.047 4.423 4.470 0.000 0.000 0.231 482 S C 1.610 176.052 174.600 -0.263 0.000 0.987 482 S CA 0.824 58.925 58.200 -0.165 0.000 0.936 482 S CB -0.142 62.965 63.200 -0.156 0.000 0.766 482 S HN 0.325 nan 8.310 nan 0.000 0.528 483 M N 1.351 120.713 119.600 -0.397 0.000 2.558 483 M HA 0.435 4.915 4.480 0.000 0.000 0.255 483 M C 0.080 176.252 176.300 -0.213 0.000 1.113 483 M CA -0.276 54.751 55.300 -0.456 0.000 1.097 483 M CB -0.566 31.523 32.600 -0.852 0.000 1.426 483 M HN 0.282 nan 8.290 nan 0.000 0.488 484 I N 2.111 122.610 120.570 -0.118 0.000 2.587 484 I HA 0.027 4.197 4.170 0.000 0.000 0.284 484 I C -1.817 174.272 176.117 -0.048 0.000 1.134 484 I CA -1.653 59.620 61.300 -0.045 0.000 1.410 484 I CB -0.121 37.874 38.000 -0.008 0.000 1.392 484 I HN -0.045 nan 8.210 nan 0.000 0.545 485 P HA -0.082 nan 4.420 nan 0.000 0.259 485 P C -0.598 176.690 177.300 -0.020 0.000 1.163 485 P CA 0.514 63.597 63.100 -0.028 0.000 0.760 485 P CB 0.234 31.927 31.700 -0.012 0.000 0.762 486 Q N 0.046 119.832 119.800 -0.024 0.000 2.461 486 Q HA -0.113 4.227 4.340 0.000 0.000 0.280 486 Q C -0.534 175.455 176.000 -0.019 0.000 1.109 486 Q CA 0.510 56.303 55.803 -0.017 0.000 0.912 486 Q CB -2.172 26.562 28.738 -0.007 0.000 1.230 486 Q HN 0.596 nan 8.270 nan 0.000 0.500 487 A N 0.810 123.612 122.820 -0.030 0.000 2.664 487 A HA 0.584 4.904 4.320 0.000 0.000 0.338 487 A C -2.343 175.222 177.584 -0.032 0.000 1.280 487 A CA -1.195 50.824 52.037 -0.030 0.000 0.809 487 A CB 0.403 19.378 19.000 -0.041 0.000 1.114 487 A HN -0.014 nan 8.150 nan 0.000 0.479 488 P HA 0.325 nan 4.420 nan 0.000 0.228 488 P C -0.297 176.995 177.300 -0.015 0.000 1.748 488 P CA 0.534 63.623 63.100 -0.018 0.000 0.909 488 P CB 0.337 32.030 31.700 -0.012 0.000 1.882 489 A N 0.894 123.703 122.820 -0.019 0.000 2.357 489 A HA 0.583 4.903 4.320 0.000 0.000 0.295 489 A C -2.420 175.154 177.584 -0.017 0.000 1.121 489 A CA -2.004 50.026 52.037 -0.013 0.000 0.742 489 A CB 0.540 19.534 19.000 -0.009 0.000 1.181 489 A HN -0.033 nan 8.150 nan 0.000 0.454 490 P HA -0.153 nan 4.420 nan 0.000 0.017 490 P C -2.362 174.925 177.300 -0.022 0.000 0.517 490 P CA 0.564 63.660 63.100 -0.007 0.000 1.032 490 P CB -0.967 30.736 31.700 0.005 0.000 1.895 491 P HA 0.040 nan 4.420 nan 0.000 0.238 491 P C 0.558 177.804 177.300 -0.091 0.000 1.729 491 P CA 0.770 63.823 63.100 -0.078 0.000 1.055 491 P CB 0.061 31.720 31.700 -0.068 0.000 1.980 492 L N 1.448 122.620 121.223 -0.086 0.000 5.620 492 L HA 0.041 4.381 4.340 0.000 0.000 0.568 492 L C -0.266 176.689 176.870 0.142 0.000 0.669 492 L CA 0.724 55.551 54.840 -0.022 0.000 2.361 492 L CB -0.130 41.957 42.059 0.048 0.000 1.820 492 L HN 0.268 nan 8.230 nan 0.000 0.571 493 D N -1.773 118.689 120.400 0.103 0.000 2.788 493 D HA 0.094 4.734 4.640 0.000 0.000 0.447 493 D C 0.195 176.575 176.300 0.134 0.000 1.215 493 D CA 0.660 54.785 54.000 0.208 0.000 1.028 493 D CB 0.429 41.337 40.800 0.179 0.000 1.694 493 D HN 0.409 nan 8.370 nan 0.000 0.352 494 E N -0.209 120.036 120.200 0.074 0.000 1.793 494 E HA 0.215 4.565 4.350 0.000 0.000 0.166 494 E C -0.447 176.176 176.600 0.037 0.000 1.568 494 E CA -1.056 55.382 56.400 0.063 0.000 0.994 494 E CB -0.038 29.694 29.700 0.053 0.000 1.898 494 E HN 0.107 nan 8.360 nan 0.000 0.595 495 Q N 0.000 119.818 119.800 0.030 0.000 2.315 495 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 495 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 495 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 495 Q HN 0.000 nan 8.270 nan 0.000 0.481