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 3gcf_1_G DATA FIRST_RESID 16 DATA SEQUENCE SAQVKWPRYL EATLGFDNHW HPAAFDHELA EGEFVAVTML GEKVLLTRAK DATA SEQUENCE GEVKAIADGC AHRGVPFSKE PLCFKAGTVS CWYHGWTYDL DDGRLVDVLT DATA SEQUENCE SPGSPVIGKI GIKVYPVQVA QGVVFVFIGD EEPHALSEDL PPGFLDEDTH DATA SEQUENCE LLGIRRTVQS NWRLGVENGF DTTHIFMHRN SPWVSGNRLA FPYGFVPADR DATA SEQUENCE DAMQVYDENW PKGVLDRLSE NYMPVFEATL DGETVLSAEL TGEEKKVAAQ DATA SEQUENCE VSVWLPGVLK VDPFPDPTLI QYEFYVPISE TQHEYFQVLQ RKVEGPEDVK DATA SEQUENCE TFEVEFEERW RDDALHGFND DDVWAREAQQ EFYGERDGWS KEQLFPPDMC DATA SEQUENCE IVKWRTLASE RGRGVRA 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.321 174.600 -0.465 0.000 1.055 16 S CA 0.000 58.076 58.200 -0.206 0.000 1.107 16 S CB 0.000 63.126 63.200 -0.123 0.000 0.593 17 A N 0.802 123.344 122.820 -0.463 0.000 1.855 17 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 17 A C 1.995 179.069 177.584 -0.850 0.000 1.191 17 A CA 2.063 53.551 52.037 -0.914 0.000 0.613 17 A CB -1.534 17.404 19.000 -0.103 0.000 0.829 17 A HN 0.748 nan 8.150 nan 0.000 0.442 18 Q N -0.370 119.206 119.800 -0.372 0.000 2.439 18 Q HA -0.027 4.313 4.340 -0.000 0.000 0.211 18 Q C 1.684 177.538 176.000 -0.243 0.000 0.978 18 Q CA 1.333 56.993 55.803 -0.239 0.000 0.897 18 Q CB -0.319 28.348 28.738 -0.119 0.000 0.956 18 Q HN 0.502 nan 8.270 nan 0.000 0.483 19 V N -0.553 119.173 119.914 -0.313 0.000 2.795 19 V HA -0.049 4.071 4.120 -0.000 0.000 0.243 19 V C 1.611 177.554 176.094 -0.252 0.000 1.069 19 V CA 1.128 63.291 62.300 -0.228 0.000 1.089 19 V CB 0.006 31.720 31.823 -0.183 0.000 0.756 19 V HN 0.222 nan 8.190 nan 0.000 0.471 20 K N -0.141 119.992 120.400 -0.446 0.000 2.166 20 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 20 K C 0.699 177.252 176.600 -0.079 0.000 1.052 20 K CA 1.211 57.314 56.287 -0.306 0.000 0.969 20 K CB 0.111 32.358 32.500 -0.420 0.000 0.761 20 K HN 0.710 nan 8.250 nan 0.000 0.459 21 W N 0.363 121.650 121.300 -0.022 0.000 1.402 21 W HA 0.367 5.027 4.660 -0.000 0.000 0.300 21 W C -2.574 173.953 176.519 0.014 0.000 0.853 21 W CA -1.997 55.334 57.345 -0.024 0.000 2.057 21 W CB -0.072 29.339 29.460 -0.082 0.000 2.087 21 W HN -0.192 nan 8.180 nan 0.000 0.466 22 P HA -0.226 nan 4.420 nan 0.000 0.215 22 P C 1.406 178.767 177.300 0.100 0.000 1.153 22 P CA 1.945 65.065 63.100 0.033 0.000 0.853 22 P CB 0.366 32.061 31.700 -0.009 0.000 0.788 23 R N -1.638 118.957 120.500 0.157 0.000 2.148 23 R HA -0.135 4.205 4.340 -0.000 0.000 0.227 23 R C 2.533 179.000 176.300 0.278 0.000 1.103 23 R CA 1.017 57.243 56.100 0.210 0.000 0.983 23 R CB -0.888 29.559 30.300 0.246 0.000 0.874 23 R HN 0.263 nan 8.270 nan 0.000 0.451 24 Y N 1.344 121.740 120.300 0.160 0.000 2.263 24 Y HA -0.069 4.481 4.550 -0.000 0.000 0.292 24 Y C 1.896 177.683 175.900 -0.188 0.000 1.130 24 Y CA 1.148 59.277 58.100 0.048 0.000 1.179 24 Y CB -0.081 38.358 38.460 -0.035 0.000 0.998 24 Y HN -0.081 nan 8.280 nan 0.000 0.532 25 L N -0.332 120.824 121.223 -0.111 0.000 2.217 25 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 25 L C 1.951 178.654 176.870 -0.278 0.000 1.107 25 L CA 1.289 55.903 54.840 -0.376 0.000 0.783 25 L CB -0.408 41.537 42.059 -0.190 0.000 0.919 25 L HN 0.244 nan 8.230 nan 0.000 0.442 26 E N 0.684 120.808 120.200 -0.126 0.000 2.216 26 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 26 E C 1.326 177.875 176.600 -0.085 0.000 0.988 26 E CA 0.534 56.892 56.400 -0.070 0.000 0.834 26 E CB 0.034 29.734 29.700 0.000 0.000 0.772 26 E HN 0.361 nan 8.360 nan 0.000 0.479 27 A N 1.626 124.353 122.820 -0.156 0.000 2.958 27 A HA 0.054 4.374 4.320 -0.000 0.000 0.247 27 A C 1.319 178.870 177.584 -0.055 0.000 1.679 27 A CA 0.066 51.986 52.037 -0.195 0.000 1.345 27 A CB -0.772 17.874 19.000 -0.590 0.000 1.013 27 A HN 0.036 nan 8.150 nan 0.000 0.641 28 T N 0.055 114.596 114.554 -0.022 0.000 2.833 28 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 28 T C 1.262 176.088 174.700 0.209 0.000 1.054 28 T CA 1.308 63.453 62.100 0.077 0.000 1.135 28 T CB -0.125 68.768 68.868 0.043 0.000 0.869 28 T HN 0.364 nan 8.240 nan 0.000 0.466 29 L N 0.476 121.742 121.223 0.071 0.000 2.700 29 L HA 0.457 4.797 4.340 -0.000 0.000 0.234 29 L C 1.022 177.748 176.870 -0.240 0.000 1.156 29 L CA 0.473 55.300 54.840 -0.020 0.000 0.946 29 L CB -0.883 41.158 42.059 -0.030 0.000 1.216 29 L HN 0.423 nan 8.230 nan 0.000 0.493 30 G N -1.379 107.219 108.800 -0.337 0.000 2.631 30 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.504 30 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.504 30 G C -0.773 173.841 174.900 -0.477 0.000 1.306 30 G CA -0.752 43.831 45.100 -0.862 0.000 0.897 30 G HN -0.102 nan 8.290 nan 0.000 0.520 31 F N 2.387 122.210 119.950 -0.211 0.000 2.385 31 F HA 0.474 5.001 4.527 -0.000 0.000 0.360 31 F C 0.783 176.687 175.800 0.173 0.000 1.122 31 F CA -0.532 57.516 58.000 0.080 0.000 1.090 31 F CB 1.494 40.603 39.000 0.182 0.000 1.150 31 F HN 0.664 nan 8.300 nan 0.000 0.472 32 D N 1.229 121.797 120.400 0.281 0.000 2.478 32 D HA 0.221 4.861 4.640 -0.000 0.000 0.263 32 D C -0.025 176.262 176.300 -0.022 0.000 1.153 32 D CA -0.644 53.417 54.000 0.103 0.000 1.038 32 D CB 0.398 41.199 40.800 0.001 0.000 1.120 32 D HN 0.402 nan 8.370 nan 0.000 0.564 33 N N -0.643 117.875 118.700 -0.304 0.000 2.783 33 N HA -0.158 4.582 4.740 -0.000 0.000 0.247 33 N C -1.209 173.878 175.510 -0.704 0.000 1.089 33 N CA 0.602 53.378 53.050 -0.456 0.000 0.690 33 N CB -1.411 36.987 38.487 -0.147 0.000 0.991 33 N HN 0.538 nan 8.380 nan 0.000 0.552 34 H N -1.837 116.747 119.070 -0.811 0.000 3.012 34 H HA 0.248 4.804 4.556 -0.000 0.000 0.367 34 H C -0.333 174.521 175.328 -0.789 0.000 1.211 34 H CA -0.401 55.322 56.048 -0.542 0.000 1.139 34 H CB 0.647 30.231 29.762 -0.297 0.000 1.838 34 H HN 0.039 nan 8.280 nan 0.000 0.550 35 W N 2.005 123.147 121.300 -0.263 0.000 2.272 35 W HA 0.290 4.950 4.660 -0.000 0.000 0.318 35 W C 0.410 176.741 176.519 -0.312 0.000 1.255 35 W CA 0.208 57.456 57.345 -0.162 0.000 1.200 35 W CB 0.615 30.009 29.460 -0.109 0.000 1.170 35 W HN 0.323 nan 8.180 nan 0.000 0.549 36 H N 3.061 122.295 119.070 0.273 0.000 2.771 36 H HA 0.255 4.811 4.556 -0.000 0.000 0.361 36 H C -2.300 173.024 175.328 -0.006 0.000 1.108 36 H CA -1.824 54.294 56.048 0.116 0.000 1.201 36 H CB 2.121 31.869 29.762 -0.025 0.000 1.681 36 H HN 0.045 nan 8.280 nan 0.000 0.534 37 P HA 0.132 nan 4.420 nan 0.000 0.275 37 P C -0.118 176.787 177.300 -0.660 0.000 1.227 37 P CA -0.040 62.447 63.100 -1.022 0.000 0.781 37 P CB 1.491 31.950 31.700 -2.067 0.000 0.906 38 A N 2.663 125.234 122.820 -0.414 0.000 2.070 38 A HA 0.645 4.965 4.320 -0.000 0.000 0.202 38 A C 0.784 178.388 177.584 0.034 0.000 1.277 38 A CA 1.045 53.026 52.037 -0.094 0.000 0.872 38 A CB -0.023 18.920 19.000 -0.094 0.000 0.933 38 A HN 0.739 nan 8.150 nan 0.000 0.475 39 A N -1.867 120.872 122.820 -0.135 0.000 2.483 39 A HA 0.598 4.918 4.320 -0.000 0.000 0.294 39 A C -1.757 175.610 177.584 -0.360 0.000 1.077 39 A CA -0.675 51.286 52.037 -0.126 0.000 0.633 39 A CB -0.198 18.784 19.000 -0.030 0.000 1.318 39 A HN 0.268 nan 8.150 nan 0.000 0.455 40 F N 0.745 120.683 119.950 -0.019 0.000 2.399 40 F HA 0.367 4.894 4.527 -0.000 0.000 0.334 40 F C 1.433 177.165 175.800 -0.114 0.000 1.097 40 F CA 0.324 58.274 58.000 -0.083 0.000 1.076 40 F CB 1.457 40.431 39.000 -0.043 0.000 1.162 40 F HN 0.862 nan 8.300 nan 0.000 0.495 41 D N 0.512 120.885 120.400 -0.044 0.000 2.133 41 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 41 D C 1.821 178.073 176.300 -0.080 0.000 0.997 41 D CA 1.747 55.667 54.000 -0.133 0.000 0.840 41 D CB -0.032 40.616 40.800 -0.253 0.000 0.947 41 D HN 0.457 nan 8.370 nan 0.000 0.452 42 H N 0.028 119.142 119.070 0.074 0.000 2.567 42 H HA 0.058 4.614 4.556 -0.000 0.000 0.276 42 H C 1.251 176.605 175.328 0.043 0.000 1.016 42 H CA 0.637 56.711 56.048 0.043 0.000 1.186 42 H CB 0.011 29.787 29.762 0.023 0.000 1.351 42 H HN 0.501 nan 8.280 nan 0.000 0.605 43 E N 0.234 120.524 120.200 0.149 0.000 2.478 43 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 43 E C -0.100 176.539 176.600 0.065 0.000 1.045 43 E CA 0.052 56.517 56.400 0.107 0.000 0.868 43 E CB 0.538 30.304 29.700 0.111 0.000 0.885 43 E HN 0.240 nan 8.360 nan 0.000 0.505 44 L N 1.202 122.455 121.223 0.050 0.000 2.345 44 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 44 L C -0.387 176.485 176.870 0.003 0.000 0.999 44 L CA -0.701 54.144 54.840 0.009 0.000 0.849 44 L CB 1.591 43.642 42.059 -0.014 0.000 1.220 44 L HN -0.077 nan 8.230 nan 0.000 0.422 45 A N 1.958 124.772 122.820 -0.010 0.000 2.269 45 A HA 0.547 4.867 4.320 -0.000 0.000 0.319 45 A C -0.151 177.400 177.584 -0.055 0.000 1.110 45 A CA -0.510 51.519 52.037 -0.014 0.000 0.847 45 A CB 0.857 19.854 19.000 -0.006 0.000 1.161 45 A HN 0.647 nan 8.150 nan 0.000 0.497 46 E N 0.120 120.292 120.200 -0.048 0.000 2.652 46 E HA 0.311 4.661 4.350 -0.000 0.000 0.255 46 E C 1.227 177.762 176.600 -0.109 0.000 0.952 46 E CA 1.791 58.148 56.400 -0.071 0.000 0.947 46 E CB -0.297 29.377 29.700 -0.043 0.000 0.912 46 E HN 1.747 nan 8.360 nan 0.000 0.489 47 G N 3.416 112.107 108.800 -0.182 0.000 2.184 47 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 47 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 47 G C 0.296 174.964 174.900 -0.388 0.000 0.975 47 G CA 0.433 45.378 45.100 -0.258 0.000 0.642 47 G HN 0.617 nan 8.290 nan 0.000 0.536 48 E N -0.709 119.294 120.200 -0.328 0.000 2.318 48 E HA 0.670 5.020 4.350 -0.000 0.000 0.265 48 E C -0.641 175.690 176.600 -0.447 0.000 1.069 48 E CA -0.797 55.454 56.400 -0.249 0.000 0.893 48 E CB 0.430 30.077 29.700 -0.087 0.000 1.076 48 E HN 0.094 nan 8.360 nan 0.000 0.414 49 F N 1.225 121.188 119.950 0.021 0.000 2.532 49 F HA 0.466 4.992 4.527 -0.000 0.000 0.321 49 F C -0.564 175.256 175.800 0.033 0.000 1.089 49 F CA -0.765 57.254 58.000 0.032 0.000 0.926 49 F CB 2.006 41.030 39.000 0.040 0.000 1.168 49 F HN 0.100 nan 8.300 nan 0.000 0.459 50 V N 2.239 122.291 119.914 0.231 0.000 2.623 50 V HA 0.748 4.868 4.120 -0.000 0.000 0.304 50 V C -0.705 175.467 176.094 0.131 0.000 1.054 50 V CA -0.958 61.426 62.300 0.139 0.000 0.882 50 V CB 1.702 33.575 31.823 0.084 0.000 1.002 50 V HN 0.906 nan 8.190 nan 0.000 0.424 51 A N 4.761 127.641 122.820 0.099 0.000 2.292 51 A HA 0.937 5.257 4.320 -0.000 0.000 0.319 51 A C -0.417 177.193 177.584 0.043 0.000 1.206 51 A CA -0.443 51.639 52.037 0.076 0.000 0.835 51 A CB 1.371 20.409 19.000 0.064 0.000 1.164 51 A HN 1.575 nan 8.150 nan 0.000 0.505 52 V N -0.326 119.603 119.914 0.025 0.000 3.078 52 V HA 0.898 5.018 4.120 -0.000 0.000 0.311 52 V C -0.466 175.621 176.094 -0.013 0.000 1.138 52 V CA -0.528 61.776 62.300 0.007 0.000 1.007 52 V CB 1.762 33.587 31.823 0.002 0.000 1.045 52 V HN 0.707 nan 8.190 nan 0.000 0.432 53 T N 4.588 119.135 114.554 -0.011 0.000 2.815 53 T HA 0.685 5.035 4.350 -0.000 0.000 0.289 53 T C -0.486 174.192 174.700 -0.037 0.000 1.000 53 T CA -0.163 61.923 62.100 -0.024 0.000 0.958 53 T CB 0.865 69.730 68.868 -0.005 0.000 0.944 53 T HN 0.741 nan 8.240 nan 0.000 0.442 54 M N 3.714 123.264 119.600 -0.084 0.000 2.190 54 M HA 0.408 4.887 4.480 -0.000 0.000 0.312 54 M C -0.454 175.757 176.300 -0.148 0.000 0.990 54 M CA -0.874 54.351 55.300 -0.126 0.000 0.927 54 M CB 1.681 34.180 32.600 -0.168 0.000 1.571 54 M HN 0.375 nan 8.290 nan 0.000 0.427 55 L N 3.341 124.459 121.223 -0.174 0.000 3.742 55 L HA -0.273 4.067 4.340 -0.000 0.000 0.431 55 L C 1.077 177.893 176.870 -0.090 0.000 1.220 55 L CA 1.435 56.169 54.840 -0.175 0.000 0.863 55 L CB -2.294 39.622 42.059 -0.238 0.000 1.751 55 L HN 1.211 nan 8.230 nan 0.000 0.922 56 G N -2.267 106.500 108.800 -0.054 0.000 2.225 56 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 56 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 56 G C 0.271 175.161 174.900 -0.018 0.000 0.988 56 G CA 0.375 45.461 45.100 -0.024 0.000 0.625 56 G HN 0.534 nan 8.290 nan 0.000 0.527 57 E N 0.872 121.054 120.200 -0.030 0.000 2.197 57 E HA 0.458 4.808 4.350 -0.000 0.000 0.281 57 E C -0.157 176.423 176.600 -0.034 0.000 0.995 57 E CA -0.608 55.785 56.400 -0.010 0.000 0.808 57 E CB 1.135 30.849 29.700 0.023 0.000 1.093 57 E HN 0.260 nan 8.360 nan 0.000 0.394 58 K N 2.030 122.423 120.400 -0.011 0.000 2.312 58 K HA 0.290 4.610 4.320 -0.000 0.000 0.287 58 K C -0.706 175.890 176.600 -0.008 0.000 1.062 58 K CA -0.296 55.982 56.287 -0.015 0.000 0.934 58 K CB 1.041 33.534 32.500 -0.013 0.000 1.027 58 K HN 0.186 nan 8.250 nan 0.000 0.478 59 V N 4.317 124.210 119.914 -0.035 0.000 2.604 59 V HA 0.327 4.447 4.120 -0.000 0.000 0.305 59 V C -0.868 175.255 176.094 0.049 0.000 1.043 59 V CA -1.079 61.197 62.300 -0.039 0.000 0.888 59 V CB 1.733 33.415 31.823 -0.235 0.000 0.995 59 V HN 0.537 nan 8.190 nan 0.000 0.429 60 L N 5.702 127.007 121.223 0.137 0.000 2.287 60 L HA 0.638 4.978 4.340 -0.000 0.000 0.287 60 L C -0.771 176.217 176.870 0.198 0.000 1.022 60 L CA 0.214 55.175 54.840 0.202 0.000 0.814 60 L CB 1.001 43.242 42.059 0.304 0.000 1.217 60 L HN 0.537 nan 8.230 nan 0.000 0.420 61 L N 4.473 125.803 121.223 0.179 0.000 2.331 61 L HA 0.795 5.135 4.340 -0.000 0.000 0.275 61 L C 0.092 177.035 176.870 0.123 0.000 1.022 61 L CA -0.441 54.474 54.840 0.126 0.000 0.812 61 L CB 1.948 44.046 42.059 0.064 0.000 1.257 61 L HN 0.671 nan 8.230 nan 0.000 0.435 62 T N 1.182 115.745 114.554 0.015 0.000 2.786 62 T HA 0.342 4.692 4.350 -0.000 0.000 0.316 62 T C -1.585 173.035 174.700 -0.134 0.000 1.503 62 T CA -0.718 61.273 62.100 -0.181 0.000 1.019 62 T CB 1.870 70.495 68.868 -0.405 0.000 1.415 62 T HN 0.645 nan 8.240 nan 0.000 0.496 63 R N 1.711 122.098 120.500 -0.188 0.000 2.310 63 R HA 0.768 5.108 4.340 -0.000 0.000 0.324 63 R C -1.151 175.080 176.300 -0.114 0.000 0.955 63 R CA -0.526 55.509 56.100 -0.108 0.000 0.830 63 R CB 0.899 31.148 30.300 -0.085 0.000 1.154 63 R HN 0.666 nan 8.270 nan 0.000 0.458 64 A N 4.184 126.965 122.820 -0.065 0.000 2.291 64 A HA 0.331 4.651 4.320 -0.000 0.000 0.311 64 A C -0.388 177.182 177.584 -0.022 0.000 1.224 64 A CA -0.637 51.373 52.037 -0.046 0.000 0.821 64 A CB 0.592 19.579 19.000 -0.022 0.000 1.172 64 A HN 0.947 nan 8.150 nan 0.000 0.494 65 K N 1.718 122.106 120.400 -0.021 0.000 3.148 65 K HA -0.242 4.078 4.320 -0.000 0.000 0.267 65 K C 1.082 177.677 176.600 -0.009 0.000 0.996 65 K CA 0.946 57.228 56.287 -0.010 0.000 0.737 65 K CB -1.745 30.755 32.500 -0.001 0.000 1.308 65 K HN 2.292 nan 8.250 nan 0.000 0.470 66 G N -0.425 108.366 108.800 -0.014 0.000 2.267 66 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.257 66 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.257 66 G C -0.124 174.771 174.900 -0.009 0.000 0.998 66 G CA 0.750 45.844 45.100 -0.010 0.000 0.620 66 G HN 0.501 nan 8.290 nan 0.000 0.529 67 E N 0.241 120.436 120.200 -0.008 0.000 2.197 67 E HA 0.516 4.866 4.350 -0.000 0.000 0.281 67 E C -0.046 176.551 176.600 -0.004 0.000 0.995 67 E CA -0.823 55.576 56.400 -0.001 0.000 0.808 67 E CB 2.481 32.187 29.700 0.009 0.000 1.093 67 E HN 0.092 nan 8.360 nan 0.000 0.394 68 V N 4.589 124.504 119.914 0.001 0.000 2.508 68 V HA 0.080 4.200 4.120 -0.000 0.000 0.281 68 V C 0.180 176.294 176.094 0.033 0.000 1.041 68 V CA -0.003 62.300 62.300 0.004 0.000 1.016 68 V CB 0.323 32.145 31.823 -0.001 0.000 0.984 68 V HN 0.521 nan 8.190 nan 0.000 0.478 69 K N 3.551 123.974 120.400 0.039 0.000 2.267 69 K HA 0.872 5.192 4.320 -0.000 0.000 0.246 69 K C -0.537 176.128 176.600 0.107 0.000 0.954 69 K CA -0.613 55.719 56.287 0.077 0.000 0.824 69 K CB 2.449 34.990 32.500 0.069 0.000 1.167 69 K HN 0.672 nan 8.250 nan 0.000 0.431 70 A N 2.457 125.370 122.820 0.156 0.000 2.359 70 A HA 0.753 5.073 4.320 -0.000 0.000 0.303 70 A C -1.067 176.701 177.584 0.307 0.000 1.066 70 A CA -0.729 51.428 52.037 0.200 0.000 0.730 70 A CB 0.745 19.850 19.000 0.176 0.000 1.211 70 A HN 0.756 nan 8.150 nan 0.000 0.439 71 I N 1.492 122.245 120.570 0.304 0.000 2.865 71 I HA 0.704 4.874 4.170 -0.000 0.000 0.302 71 I C 0.396 176.740 176.117 0.379 0.000 1.140 71 I CA -0.964 60.528 61.300 0.320 0.000 1.021 71 I CB 2.013 40.139 38.000 0.210 0.000 1.233 71 I HN 0.841 nan 8.210 nan 0.000 0.427 72 A N 3.724 126.765 122.820 0.370 0.000 2.548 72 A HA 0.024 4.344 4.320 -0.000 0.000 0.247 72 A C -0.017 177.678 177.584 0.184 0.000 1.067 72 A CA 0.222 52.439 52.037 0.300 0.000 0.757 72 A CB -0.178 18.915 19.000 0.155 0.000 0.996 72 A HN 0.696 nan 8.150 nan 0.000 0.504 73 D N 2.146 122.607 120.400 0.101 0.000 2.801 73 D HA 0.417 5.057 4.640 -0.000 0.000 0.232 73 D C 0.278 176.413 176.300 -0.274 0.000 1.128 73 D CA 1.024 55.024 54.000 0.000 0.000 1.003 73 D CB -0.515 40.315 40.800 0.050 0.000 1.110 73 D HN 0.713 nan 8.370 nan 0.000 0.477 74 G N 0.698 109.172 108.800 -0.543 0.000 2.659 74 G HA2 0.252 4.212 3.960 -0.000 0.000 0.291 74 G HA3 0.252 4.212 3.960 -0.000 0.000 0.291 74 G C -0.788 173.703 174.900 -0.682 0.000 1.379 74 G CA -0.678 44.090 45.100 -0.553 0.000 1.254 74 G HN 0.315 nan 8.290 nan 0.000 0.590 75 C N 2.310 121.174 119.300 -0.727 0.000 2.652 75 C HA 0.564 5.024 4.460 -0.000 0.000 0.412 75 C C 2.090 177.016 174.990 -0.107 0.000 1.294 75 C CA 0.520 59.350 59.018 -0.314 0.000 2.127 75 C CB 0.327 27.975 27.740 -0.154 0.000 2.691 75 C HN 1.088 nan 8.230 nan 0.000 0.615 76 A N 2.768 125.660 122.820 0.119 0.000 2.066 76 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 76 A C 2.029 179.598 177.584 -0.026 0.000 1.157 76 A CA 1.608 53.732 52.037 0.145 0.000 0.670 76 A CB -0.905 18.353 19.000 0.430 0.000 0.804 76 A HN 1.069 nan 8.150 nan 0.000 0.453 77 H N -0.366 118.372 119.070 -0.553 0.000 2.393 77 H HA 0.064 4.620 4.556 -0.000 0.000 0.300 77 H C 1.150 176.228 175.328 -0.417 0.000 1.043 77 H CA 1.202 56.709 56.048 -0.901 0.000 1.205 77 H CB 0.070 28.873 29.762 -1.598 0.000 1.411 77 H HN 0.321 nan 8.280 nan 0.000 0.560 78 R N -0.417 119.803 120.500 -0.467 0.000 2.586 78 R HA 0.145 4.485 4.340 -0.000 0.000 0.336 78 R C 0.649 176.837 176.300 -0.186 0.000 1.060 78 R CA 0.426 56.316 56.100 -0.350 0.000 1.079 78 R CB 1.314 31.383 30.300 -0.385 0.000 1.317 78 R HN 0.722 nan 8.270 nan 0.000 0.568 79 G N 1.506 110.199 108.800 -0.178 0.000 2.166 79 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 79 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 79 G C 0.441 175.244 174.900 -0.163 0.000 0.986 79 G CA 0.522 45.531 45.100 -0.152 0.000 0.683 79 G HN 0.292 nan 8.290 nan 0.000 0.527 80 V N -2.089 117.717 119.914 -0.180 0.000 2.924 80 V HA 0.672 4.792 4.120 -0.000 0.000 0.305 80 V C -1.670 174.312 176.094 -0.186 0.000 1.073 80 V CA -2.061 60.175 62.300 -0.107 0.000 1.098 80 V CB 1.154 32.936 31.823 -0.067 0.000 1.000 80 V HN 0.081 nan 8.190 nan 0.000 0.484 81 P HA 0.365 nan 4.420 nan 0.000 0.281 81 P C -0.111 177.262 177.300 0.121 0.000 1.252 81 P CA -0.252 62.796 63.100 -0.088 0.000 0.778 81 P CB 0.485 32.185 31.700 0.000 0.000 0.895 82 F N 0.732 120.776 119.950 0.157 0.000 2.234 82 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 82 F C 2.369 178.239 175.800 0.116 0.000 1.087 82 F CA 1.603 59.712 58.000 0.182 0.000 1.340 82 F CB -1.673 37.348 39.000 0.034 0.000 1.031 82 F HN 0.264 nan 8.300 nan 0.000 0.500 83 S N -0.356 115.464 115.700 0.199 0.000 2.465 83 S HA -0.175 4.295 4.470 -0.000 0.000 0.241 83 S C 1.946 176.538 174.600 -0.013 0.000 1.000 83 S CA 0.683 58.918 58.200 0.058 0.000 0.964 83 S CB -0.395 62.838 63.200 0.055 0.000 0.763 83 S HN 0.230 nan 8.310 nan 0.000 0.512 84 K N 1.189 121.577 120.400 -0.020 0.000 2.147 84 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 84 K C 0.921 177.303 176.600 -0.363 0.000 1.049 84 K CA 1.107 57.243 56.287 -0.251 0.000 0.936 84 K CB -0.139 32.081 32.500 -0.468 0.000 0.722 84 K HN 0.725 nan 8.250 nan 0.000 0.446 85 E N 0.196 120.230 120.200 -0.277 0.000 2.850 85 E HA 0.112 4.462 4.350 -0.000 0.000 0.368 85 E C -2.780 173.822 176.600 0.004 0.000 1.116 85 E CA -1.137 55.152 56.400 -0.185 0.000 0.787 85 E CB 1.141 30.658 29.700 -0.305 0.000 1.561 85 E HN -0.121 nan 8.360 nan 0.000 0.381 86 P HA 0.102 nan 4.420 nan 0.000 0.268 86 P C -0.508 176.552 177.300 -0.401 0.000 1.204 86 P CA 0.111 62.913 63.100 -0.498 0.000 0.768 86 P CB 0.944 31.880 31.700 -1.273 0.000 0.842 87 L N 3.173 124.226 121.223 -0.285 0.000 2.381 87 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 87 L C -0.253 176.537 176.870 -0.133 0.000 0.997 87 L CA -0.829 53.895 54.840 -0.192 0.000 0.818 87 L CB 2.454 44.470 42.059 -0.072 0.000 1.310 87 L HN 0.460 nan 8.230 nan 0.000 0.416 88 C N 2.222 121.372 119.300 -0.249 0.000 2.679 88 C HA 0.482 4.942 4.460 -0.000 0.000 0.354 88 C C 0.130 174.935 174.990 -0.308 0.000 1.067 88 C CA -0.432 58.526 59.018 -0.099 0.000 1.317 88 C CB 0.067 27.885 27.740 0.129 0.000 1.843 88 C HN 0.791 nan 8.230 nan 0.000 0.459 89 F N 3.108 123.114 119.950 0.094 0.000 2.664 89 F HA 0.413 4.940 4.527 -0.000 0.000 0.303 89 F C 1.033 176.864 175.800 0.052 0.000 1.092 89 F CA 0.097 58.138 58.000 0.068 0.000 1.305 89 F CB 0.158 39.192 39.000 0.058 0.000 1.054 89 F HN 0.570 nan 8.300 nan 0.000 0.565 90 K N 0.768 121.264 120.400 0.160 0.000 2.610 90 K HA 0.530 4.850 4.320 -0.000 0.000 0.274 90 K C -0.867 175.775 176.600 0.071 0.000 1.049 90 K CA -0.455 55.897 56.287 0.108 0.000 0.945 90 K CB 0.889 33.455 32.500 0.109 0.000 1.313 90 K HN -0.060 nan 8.250 nan 0.000 0.463 91 A N 2.199 125.045 122.820 0.043 0.000 2.584 91 A HA 0.383 4.703 4.320 -0.000 0.000 0.239 91 A C 1.284 178.886 177.584 0.031 0.000 1.043 91 A CA 1.645 53.694 52.037 0.021 0.000 0.756 91 A CB -0.558 18.445 19.000 0.005 0.000 0.963 91 A HN 1.492 nan 8.150 nan 0.000 0.511 92 G N 1.239 110.058 108.800 0.031 0.000 2.184 92 G HA2 0.003 3.963 3.960 -0.000 0.000 0.206 92 G HA3 0.003 3.963 3.960 -0.000 0.000 0.206 92 G C 0.440 175.377 174.900 0.062 0.000 0.995 92 G CA 0.726 45.850 45.100 0.040 0.000 0.651 92 G HN 2.488 nan 8.290 nan 0.000 0.511 93 T N -3.015 111.585 114.554 0.077 0.000 2.865 93 T HA 0.819 5.169 4.350 -0.000 0.000 0.294 93 T C -0.978 173.791 174.700 0.115 0.000 1.119 93 T CA -0.227 61.932 62.100 0.099 0.000 1.007 93 T CB 2.781 71.709 68.868 0.099 0.000 1.225 93 T HN 1.607 nan 8.240 nan 0.000 0.515 94 V N 0.440 120.418 119.914 0.106 0.000 2.808 94 V HA 0.747 4.867 4.120 -0.000 0.000 0.308 94 V C -1.287 174.827 176.094 0.033 0.000 1.099 94 V CA -0.372 61.952 62.300 0.041 0.000 0.920 94 V CB 2.341 34.106 31.823 -0.097 0.000 1.014 94 V HN 1.199 nan 8.190 nan 0.000 0.425 95 S N 4.646 120.376 115.700 0.049 0.000 2.502 95 S HA 0.430 4.900 4.470 -0.000 0.000 0.304 95 S C -0.447 174.244 174.600 0.151 0.000 1.097 95 S CA -0.383 57.920 58.200 0.172 0.000 1.045 95 S CB 1.361 64.786 63.200 0.376 0.000 1.019 95 S HN 1.094 nan 8.310 nan 0.000 0.481 96 C N 5.673 125.127 119.300 0.256 0.000 2.662 96 C HA 0.202 4.662 4.460 -0.000 0.000 0.420 96 C C 1.970 177.085 174.990 0.208 0.000 1.314 96 C CA -0.491 58.706 59.018 0.298 0.000 1.963 96 C CB -0.604 27.353 27.740 0.361 0.000 2.686 96 C HN 1.054 nan 8.230 nan 0.000 0.609 97 W N 4.348 125.817 121.300 0.283 0.000 2.678 97 W HA -0.018 4.642 4.660 -0.000 0.000 0.256 97 W C 1.376 178.032 176.519 0.229 0.000 1.280 97 W CA 0.272 57.740 57.345 0.205 0.000 1.345 97 W CB -1.154 28.375 29.460 0.114 0.000 1.118 97 W HN 0.812 nan 8.180 nan 0.000 0.629 98 Y N 2.111 122.065 120.300 -0.577 0.000 2.163 98 Y HA -0.061 4.489 4.550 -0.000 0.000 0.288 98 Y C 1.487 177.112 175.900 -0.459 0.000 1.112 98 Y CA 1.626 59.359 58.100 -0.612 0.000 1.104 98 Y CB -0.902 36.926 38.460 -1.053 0.000 1.016 98 Y HN -0.032 nan 8.280 nan 0.000 0.497 99 H N -1.432 117.630 119.070 -0.013 0.000 2.785 99 H HA 0.371 4.927 4.556 -0.000 0.000 0.268 99 H C 1.293 176.723 175.328 0.171 0.000 1.153 99 H CA 0.254 56.317 56.048 0.026 0.000 1.111 99 H CB 0.399 30.150 29.762 -0.018 0.000 1.633 99 H HN 0.387 nan 8.280 nan 0.000 0.576 100 G N 0.244 109.203 108.800 0.265 0.000 2.153 100 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 100 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 100 G C -0.386 174.697 174.900 0.306 0.000 0.994 100 G CA -0.205 45.048 45.100 0.255 0.000 0.698 100 G HN 0.244 nan 8.290 nan 0.000 0.521 101 W N 1.049 122.378 121.300 0.048 0.000 2.322 101 W HA 0.513 5.173 4.660 -0.000 0.000 0.328 101 W C 0.774 177.206 176.519 -0.145 0.000 1.395 101 W CA 0.379 57.664 57.345 -0.100 0.000 1.267 101 W CB 0.407 29.831 29.460 -0.060 0.000 1.259 101 W HN 0.066 nan 8.180 nan 0.000 0.560 102 T N 5.078 119.551 114.554 -0.136 0.000 2.779 102 T HA 0.437 4.787 4.350 -0.000 0.000 0.280 102 T C -1.021 173.527 174.700 -0.254 0.000 0.987 102 T CA -0.423 61.629 62.100 -0.081 0.000 0.966 102 T CB 0.538 69.406 68.868 -0.000 0.000 0.933 102 T HN 0.012 nan 8.240 nan 0.000 0.442 103 Y N 0.790 121.113 120.300 0.038 0.000 2.487 103 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 103 Y C 0.475 176.391 175.900 0.028 0.000 1.076 103 Y CA -1.500 56.625 58.100 0.041 0.000 1.115 103 Y CB 0.926 39.426 38.460 0.067 0.000 1.235 103 Y HN 0.477 nan 8.280 nan 0.000 0.468 104 D N 1.947 122.461 120.400 0.189 0.000 2.316 104 D HA 0.065 4.705 4.640 -0.000 0.000 0.245 104 D C 0.591 176.965 176.300 0.124 0.000 1.171 104 D CA -0.046 54.025 54.000 0.117 0.000 0.856 104 D CB 1.290 42.136 40.800 0.077 0.000 1.090 104 D HN 0.477 nan 8.370 nan 0.000 0.476 105 L N 4.029 125.314 121.223 0.103 0.000 2.187 105 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 105 L C 1.759 178.677 176.870 0.080 0.000 1.100 105 L CA 1.353 56.250 54.840 0.095 0.000 0.765 105 L CB -0.463 41.646 42.059 0.083 0.000 0.904 105 L HN 0.449 nan 8.230 nan 0.000 0.437 106 D N -0.334 120.105 120.400 0.065 0.000 2.144 106 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 106 D C 1.231 177.558 176.300 0.045 0.000 0.978 106 D CA 1.553 55.584 54.000 0.051 0.000 0.833 106 D CB 0.053 40.876 40.800 0.038 0.000 0.961 106 D HN 0.569 nan 8.370 nan 0.000 0.470 107 D N -2.615 117.816 120.400 0.052 0.000 2.520 107 D HA 0.214 4.854 4.640 -0.000 0.000 0.223 107 D C 1.378 177.714 176.300 0.061 0.000 1.186 107 D CA 0.444 54.469 54.000 0.042 0.000 0.821 107 D CB 0.102 40.922 40.800 0.033 0.000 1.072 107 D HN 0.090 nan 8.370 nan 0.000 0.518 108 G N 0.699 109.557 108.800 0.096 0.000 2.166 108 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 108 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 108 G C 0.200 175.242 174.900 0.237 0.000 0.986 108 G CA -0.042 45.142 45.100 0.140 0.000 0.683 108 G HN 0.321 nan 8.290 nan 0.000 0.527 109 R N -0.550 120.060 120.500 0.183 0.000 2.441 109 R HA 0.391 4.731 4.340 -0.000 0.000 0.284 109 R C 0.346 176.730 176.300 0.141 0.000 1.070 109 R CA -0.892 55.303 56.100 0.157 0.000 1.047 109 R CB 1.073 31.412 30.300 0.065 0.000 1.016 109 R HN 0.283 nan 8.270 nan 0.000 0.477 110 L N 4.433 125.678 121.223 0.036 0.000 2.456 110 L HA 0.006 4.346 4.340 -0.000 0.000 0.277 110 L C 0.976 177.723 176.870 -0.205 0.000 1.124 110 L CA 0.368 55.055 54.840 -0.255 0.000 0.880 110 L CB 0.843 42.681 42.059 -0.369 0.000 1.192 110 L HN 0.548 nan 8.230 nan 0.000 0.463 111 V N 0.374 120.176 119.914 -0.187 0.000 3.644 111 V HA 0.495 4.615 4.120 -0.000 0.000 0.267 111 V C 0.326 176.323 176.094 -0.161 0.000 1.277 111 V CA 0.266 62.488 62.300 -0.131 0.000 1.096 111 V CB 0.020 31.806 31.823 -0.060 0.000 0.828 111 V HN 0.795 nan 8.190 nan 0.000 0.446 112 D N -1.317 118.946 120.400 -0.229 0.000 2.755 112 D HA 0.455 5.095 4.640 -0.000 0.000 0.277 112 D C -1.784 174.347 176.300 -0.282 0.000 1.261 112 D CA -0.122 53.747 54.000 -0.218 0.000 0.759 112 D CB 2.578 43.302 40.800 -0.127 0.000 1.279 112 D HN -0.086 nan 8.370 nan 0.000 0.420 113 V N 2.979 122.747 119.914 -0.243 0.000 2.445 113 V HA 0.199 4.319 4.120 -0.000 0.000 0.283 113 V C 1.507 177.539 176.094 -0.102 0.000 1.014 113 V CA -0.502 61.668 62.300 -0.217 0.000 0.852 113 V CB 1.327 32.938 31.823 -0.355 0.000 1.021 113 V HN 0.566 nan 8.190 nan 0.000 0.435 114 L N 2.517 123.712 121.223 -0.048 0.000 2.129 114 L HA -0.151 4.188 4.340 -0.000 0.000 0.212 114 L C 2.411 179.256 176.870 -0.041 0.000 1.087 114 L CA 2.191 56.993 54.840 -0.063 0.000 0.757 114 L CB -0.467 41.540 42.059 -0.087 0.000 0.896 114 L HN 0.886 nan 8.230 nan 0.000 0.434 115 T N -5.896 108.662 114.554 0.006 0.000 3.107 115 T HA 0.063 4.412 4.350 -0.000 0.000 0.249 115 T C 0.815 175.513 174.700 -0.004 0.000 1.096 115 T CA 0.252 62.363 62.100 0.018 0.000 1.012 115 T CB 0.336 69.250 68.868 0.077 0.000 0.977 115 T HN 0.110 nan 8.240 nan 0.000 0.527 116 S N 2.852 118.527 115.700 -0.041 0.000 2.592 116 S HA 0.351 4.821 4.470 -0.000 0.000 0.151 116 S C -3.053 171.490 174.600 -0.096 0.000 1.280 116 S CA -1.073 57.089 58.200 -0.063 0.000 1.187 116 S CB 0.756 63.916 63.200 -0.067 0.000 1.471 116 S HN 0.170 nan 8.310 nan 0.000 0.409 117 P HA 0.259 nan 4.420 nan 0.000 0.265 117 P C 1.007 178.253 177.300 -0.090 0.000 1.193 117 P CA 1.275 64.321 63.100 -0.089 0.000 0.765 117 P CB 0.505 32.163 31.700 -0.069 0.000 0.823 118 G N 1.552 110.291 108.800 -0.103 0.000 2.162 118 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 118 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 118 G C 0.451 175.284 174.900 -0.111 0.000 0.976 118 G CA 0.323 45.365 45.100 -0.096 0.000 0.655 118 G HN 0.820 nan 8.290 nan 0.000 0.533 119 S N 1.254 116.868 115.700 -0.143 0.000 2.558 119 S HA 0.336 4.806 4.470 -0.000 0.000 0.293 119 S C 0.358 174.857 174.600 -0.167 0.000 1.292 119 S CA -0.039 58.064 58.200 -0.161 0.000 1.063 119 S CB 0.975 64.038 63.200 -0.228 0.000 0.831 119 S HN 0.277 nan 8.310 nan 0.000 0.499 120 P HA -0.078 nan 4.420 nan 0.000 0.225 120 P C 1.350 178.563 177.300 -0.145 0.000 1.148 120 P CA 1.051 64.080 63.100 -0.117 0.000 0.779 120 P CB -0.352 31.299 31.700 -0.082 0.000 0.780 121 V N -3.343 116.445 119.914 -0.209 0.000 3.041 121 V HA 0.032 4.152 4.120 -0.000 0.000 0.260 121 V C 1.398 177.309 176.094 -0.305 0.000 1.105 121 V CA 0.179 62.326 62.300 -0.255 0.000 1.125 121 V CB -1.313 30.290 31.823 -0.367 0.000 0.730 121 V HN -0.130 nan 8.190 nan 0.000 0.479 122 I N 2.679 123.062 120.570 -0.312 0.000 2.662 122 I HA 0.385 4.555 4.170 -0.000 0.000 0.285 122 I C 1.577 177.584 176.117 -0.183 0.000 1.161 122 I CA 1.389 62.518 61.300 -0.286 0.000 1.415 122 I CB 0.059 37.912 38.000 -0.246 0.000 1.385 122 I HN 0.500 nan 8.210 nan 0.000 0.552 123 G N 5.204 113.909 108.800 -0.157 0.000 2.217 123 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.246 123 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.246 123 G C 0.766 175.626 174.900 -0.068 0.000 0.990 123 G CA 0.003 45.047 45.100 -0.094 0.000 0.627 123 G HN 0.590 nan 8.290 nan 0.000 0.522 124 K N -0.064 120.287 120.400 -0.082 0.000 2.373 124 K HA 0.608 4.928 4.320 -0.000 0.000 0.202 124 K C 0.466 177.057 176.600 -0.015 0.000 1.025 124 K CA 0.192 56.452 56.287 -0.045 0.000 1.115 124 K CB 0.637 33.107 32.500 -0.050 0.000 0.858 124 K HN 0.508 nan 8.250 nan 0.000 0.525 125 I N -0.575 119.986 120.570 -0.014 0.000 2.865 125 I HA 0.580 4.750 4.170 -0.000 0.000 0.302 125 I C -0.347 175.848 176.117 0.131 0.000 1.140 125 I CA -1.223 60.120 61.300 0.071 0.000 1.021 125 I CB 2.556 40.614 38.000 0.097 0.000 1.233 125 I HN 0.044 nan 8.210 nan 0.000 0.427 126 G N 4.238 113.160 108.800 0.203 0.000 2.632 126 G HA2 0.692 4.652 3.960 -0.000 0.000 0.292 126 G HA3 0.692 4.652 3.960 -0.000 0.000 0.292 126 G C -1.513 173.512 174.900 0.208 0.000 1.465 126 G CA -0.592 44.652 45.100 0.240 0.000 0.824 126 G HN 0.706 nan 8.290 nan 0.000 0.509 127 I N -2.161 118.513 120.570 0.173 0.000 3.067 127 I HA 0.762 4.932 4.170 -0.000 0.000 0.312 127 I C -0.129 175.989 176.117 0.002 0.000 1.073 127 I CA -1.410 59.925 61.300 0.058 0.000 1.016 127 I CB 2.316 40.301 38.000 -0.025 0.000 1.227 127 I HN 0.490 nan 8.210 nan 0.000 0.456 128 K N 2.345 122.708 120.400 -0.063 0.000 2.326 128 K HA 0.487 4.807 4.320 -0.000 0.000 0.275 128 K C -0.770 175.688 176.600 -0.236 0.000 1.018 128 K CA -0.473 55.696 56.287 -0.196 0.000 0.962 128 K CB 1.013 33.308 32.500 -0.342 0.000 0.953 128 K HN 0.611 nan 8.250 nan 0.000 0.475 129 V N 1.314 121.071 119.914 -0.262 0.000 2.769 129 V HA 0.538 4.658 4.120 -0.000 0.000 0.312 129 V C -1.299 174.642 176.094 -0.254 0.000 1.061 129 V CA -1.012 61.217 62.300 -0.118 0.000 0.931 129 V CB 0.952 32.779 31.823 0.007 0.000 1.010 129 V HN 0.647 nan 8.190 nan 0.000 0.433 130 Y N 1.768 122.097 120.300 0.049 0.000 2.446 130 Y HA 0.716 5.266 4.550 -0.000 0.000 0.338 130 Y C -2.406 173.528 175.900 0.056 0.000 1.055 130 Y CA -2.857 55.268 58.100 0.042 0.000 1.101 130 Y CB 1.505 39.992 38.460 0.044 0.000 1.221 130 Y HN 0.461 nan 8.280 nan 0.000 0.460 131 P HA 0.168 nan 4.420 nan 0.000 0.268 131 P C -1.120 176.381 177.300 0.335 0.000 1.204 131 P CA -0.005 63.187 63.100 0.153 0.000 0.768 131 P CB 0.711 32.376 31.700 -0.058 0.000 0.842 132 V N 3.642 123.778 119.914 0.370 0.000 2.709 132 V HA 0.506 4.626 4.120 -0.000 0.000 0.308 132 V C -0.356 175.906 176.094 0.280 0.000 1.062 132 V CA -0.442 62.087 62.300 0.383 0.000 0.901 132 V CB 1.854 33.799 31.823 0.204 0.000 1.003 132 V HN 0.482 nan 8.190 nan 0.000 0.425 133 Q N 2.782 122.682 119.800 0.167 0.000 2.263 133 Q HA 0.641 4.981 4.340 -0.000 0.000 0.266 133 Q C -2.057 173.935 176.000 -0.014 0.000 1.002 133 Q CA -0.435 55.322 55.803 -0.076 0.000 0.790 133 Q CB 2.436 30.887 28.738 -0.477 0.000 1.272 133 Q HN 0.579 nan 8.270 nan 0.000 0.435 134 V N 2.557 122.462 119.914 -0.016 0.000 2.383 134 V HA 0.854 4.974 4.120 -0.000 0.000 0.275 134 V C -0.380 175.719 176.094 0.008 0.000 1.036 134 V CA -0.246 62.050 62.300 -0.007 0.000 0.889 134 V CB 1.026 32.825 31.823 -0.040 0.000 0.985 134 V HN 0.799 nan 8.190 nan 0.000 0.459 135 A N 4.010 126.886 122.820 0.093 0.000 2.427 135 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 135 A C -0.024 177.640 177.584 0.134 0.000 1.036 135 A CA -0.444 51.649 52.037 0.093 0.000 0.701 135 A CB 1.595 20.639 19.000 0.073 0.000 1.250 135 A HN 0.738 nan 8.150 nan 0.000 0.412 136 Q N 0.651 120.459 119.800 0.014 0.000 2.481 136 Q HA -0.249 4.091 4.340 -0.000 0.000 0.272 136 Q C 1.034 176.979 176.000 -0.092 0.000 1.157 136 Q CA 2.076 57.830 55.803 -0.081 0.000 0.935 136 Q CB -2.072 26.567 28.738 -0.164 0.000 1.338 136 Q HN 2.621 nan 8.270 nan 0.000 0.494 137 G N -2.293 106.453 108.800 -0.090 0.000 2.159 137 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.256 137 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.256 137 G C 0.155 175.016 174.900 -0.066 0.000 0.977 137 G CA 0.227 45.250 45.100 -0.129 0.000 0.652 137 G HN 0.401 nan 8.290 nan 0.000 0.531 138 V N 0.597 120.438 119.914 -0.122 0.000 2.513 138 V HA 0.619 4.739 4.120 -0.000 0.000 0.299 138 V C 0.553 176.342 176.094 -0.509 0.000 1.035 138 V CA -0.893 61.152 62.300 -0.425 0.000 0.889 138 V CB 2.064 33.474 31.823 -0.688 0.000 0.988 138 V HN 0.197 nan 8.190 nan 0.000 0.440 139 V N 5.345 124.920 119.914 -0.564 0.000 2.368 139 V HA 0.397 4.517 4.120 -0.000 0.000 0.266 139 V C -0.460 175.323 176.094 -0.519 0.000 1.045 139 V CA -0.127 61.954 62.300 -0.366 0.000 0.899 139 V CB 0.480 32.177 31.823 -0.209 0.000 1.006 139 V HN 0.610 nan 8.190 nan 0.000 0.470 140 F N 3.892 123.759 119.950 -0.138 0.000 2.421 140 F HA 0.653 5.180 4.527 -0.000 0.000 0.337 140 F C 0.162 176.108 175.800 0.244 0.000 1.105 140 F CA -0.635 57.337 58.000 -0.047 0.000 1.049 140 F CB 1.910 40.819 39.000 -0.152 0.000 1.139 140 F HN 0.157 nan 8.300 nan 0.000 0.479 141 V N 3.748 123.929 119.914 0.445 0.000 2.540 141 V HA 0.281 4.400 4.120 -0.000 0.000 0.302 141 V C -0.907 175.339 176.094 0.253 0.000 1.035 141 V CA -1.027 61.480 62.300 0.346 0.000 0.873 141 V CB 1.904 33.762 31.823 0.059 0.000 0.992 141 V HN 0.539 nan 8.190 nan 0.000 0.428 142 F N 5.954 125.745 119.950 -0.264 0.000 2.413 142 F HA 0.528 5.055 4.527 -0.000 0.000 0.359 142 F C -0.040 175.628 175.800 -0.220 0.000 1.122 142 F CA -0.538 57.038 58.000 -0.707 0.000 1.160 142 F CB 0.408 38.495 39.000 -1.521 0.000 1.146 142 F HN 0.246 nan 8.300 nan 0.000 0.514 143 I N 5.885 126.174 120.570 -0.468 0.000 2.331 143 I HA 0.649 4.819 4.170 -0.000 0.000 0.292 143 I C 0.482 176.388 176.117 -0.351 0.000 0.998 143 I CA -0.254 60.928 61.300 -0.196 0.000 1.267 143 I CB 0.363 38.302 38.000 -0.102 0.000 1.386 143 I HN 0.744 nan 8.210 nan 0.000 0.476 144 G N 5.683 114.421 108.800 -0.103 0.000 2.361 144 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.305 144 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.305 144 G C -0.335 174.583 174.900 0.030 0.000 1.367 144 G CA -0.585 44.470 45.100 -0.076 0.000 0.951 144 G HN 0.430 nan 8.290 nan 0.000 0.615 145 D N 0.056 120.475 120.400 0.031 0.000 2.305 145 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 145 D C 1.045 177.371 176.300 0.044 0.000 0.974 145 D CA 0.818 54.834 54.000 0.027 0.000 0.871 145 D CB 0.527 41.335 40.800 0.014 0.000 0.947 145 D HN 0.560 nan 8.370 nan 0.000 0.516 146 E N 1.260 121.514 120.200 0.090 0.000 2.369 146 E HA 0.089 4.439 4.350 -0.000 0.000 0.255 146 E C 0.343 176.953 176.600 0.017 0.000 1.172 146 E CA -0.420 56.021 56.400 0.069 0.000 0.932 146 E CB 0.995 30.750 29.700 0.093 0.000 1.040 146 E HN -0.027 nan 8.360 nan 0.000 0.454 147 E N 2.181 122.318 120.200 -0.105 0.000 2.390 147 E HA 0.118 4.468 4.350 -0.000 0.000 0.261 147 E C -2.019 174.208 176.600 -0.622 0.000 1.076 147 E CA -1.603 54.638 56.400 -0.265 0.000 0.905 147 E CB 0.118 29.712 29.700 -0.176 0.000 0.984 147 E HN 0.302 nan 8.360 nan 0.000 0.427 148 P HA 0.080 nan 4.420 nan 0.000 0.274 148 P C -0.360 176.481 177.300 -0.766 0.000 1.231 148 P CA 0.078 62.076 63.100 -1.836 0.000 0.790 148 P CB 0.780 31.519 31.700 -1.601 0.000 0.951 149 H N -0.145 118.671 119.070 -0.423 0.000 2.713 149 H HA 0.625 5.180 4.556 -0.000 0.000 0.340 149 H C -0.255 175.148 175.328 0.126 0.000 1.271 149 H CA -1.272 54.715 56.048 -0.102 0.000 1.306 149 H CB 0.363 30.053 29.762 -0.119 0.000 1.839 149 H HN 0.500 nan 8.280 nan 0.000 0.627 150 A N 1.294 124.248 122.820 0.223 0.000 2.546 150 A HA 0.017 4.337 4.320 -0.000 0.000 0.243 150 A C 1.381 179.013 177.584 0.080 0.000 1.063 150 A CA -0.291 51.803 52.037 0.095 0.000 0.757 150 A CB -0.231 18.785 19.000 0.026 0.000 0.991 150 A HN 0.679 nan 8.150 nan 0.000 0.503 151 L N 3.825 124.875 121.223 -0.289 0.000 2.079 151 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 151 L C 2.624 179.262 176.870 -0.386 0.000 1.081 151 L CA 3.019 57.441 54.840 -0.697 0.000 0.752 151 L CB -0.751 40.653 42.059 -1.091 0.000 0.896 151 L HN 0.879 nan 8.230 nan 0.000 0.433 152 S N -1.360 114.185 115.700 -0.257 0.000 2.419 152 S HA -0.247 4.223 4.470 -0.000 0.000 0.235 152 S C 1.740 176.277 174.600 -0.104 0.000 1.019 152 S CA 1.379 59.466 58.200 -0.189 0.000 0.982 152 S CB -0.818 62.307 63.200 -0.124 0.000 0.789 152 S HN 0.682 nan 8.310 nan 0.000 0.490 153 E N 0.978 121.163 120.200 -0.024 0.000 2.338 153 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 153 E C 0.418 177.043 176.600 0.042 0.000 1.007 153 E CA 0.875 57.286 56.400 0.018 0.000 0.849 153 E CB -0.025 29.566 29.700 -0.181 0.000 0.774 153 E HN 0.566 nan 8.360 nan 0.000 0.506 154 D N -0.082 120.334 120.400 0.027 0.000 2.501 154 D HA 0.188 4.828 4.640 -0.000 0.000 0.226 154 D C -0.294 175.946 176.300 -0.101 0.000 1.198 154 D CA 0.185 54.211 54.000 0.043 0.000 0.830 154 D CB 0.638 41.525 40.800 0.144 0.000 1.014 154 D HN 0.060 nan 8.370 nan 0.000 0.496 155 L N 0.376 121.489 121.223 -0.185 0.000 2.371 155 L HA 0.438 4.778 4.340 -0.000 0.000 0.262 155 L C -2.494 174.164 176.870 -0.353 0.000 1.006 155 L CA -2.130 52.508 54.840 -0.337 0.000 0.818 155 L CB 2.736 44.474 42.059 -0.534 0.000 1.354 155 L HN -0.345 nan 8.230 nan 0.000 0.415 156 P HA 0.165 nan 4.420 nan 0.000 0.272 156 P C -2.564 174.385 177.300 -0.586 0.000 1.230 156 P CA -1.048 61.567 63.100 -0.809 0.000 0.788 156 P CB -0.062 31.442 31.700 -0.327 0.000 0.949 157 P HA 0.083 nan 4.420 nan 0.000 0.268 157 P C 0.954 178.165 177.300 -0.148 0.000 1.205 157 P CA 1.212 64.056 63.100 -0.426 0.000 0.771 157 P CB 0.117 31.524 31.700 -0.488 0.000 0.858 158 G N 1.954 110.706 108.800 -0.080 0.000 2.253 158 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.251 158 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.251 158 G C 0.924 175.844 174.900 0.033 0.000 0.998 158 G CA 0.234 45.336 45.100 0.004 0.000 0.621 158 G HN 0.502 nan 8.290 nan 0.000 0.524 159 F N 1.308 121.144 119.950 -0.191 0.000 2.161 159 F HA 0.167 4.694 4.527 -0.000 0.000 0.300 159 F C 2.263 177.916 175.800 -0.244 0.000 1.089 159 F CA 2.181 59.936 58.000 -0.408 0.000 1.282 159 F CB -0.066 38.559 39.000 -0.625 0.000 1.010 159 F HN 0.204 nan 8.300 nan 0.000 0.485 160 L N -0.106 121.138 121.223 0.036 0.000 2.612 160 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 160 L C -0.192 176.636 176.870 -0.069 0.000 1.140 160 L CA -0.279 54.551 54.840 -0.017 0.000 0.896 160 L CB -0.836 41.209 42.059 -0.024 0.000 1.065 160 L HN -0.131 nan 8.230 nan 0.000 0.447 161 D N 1.517 121.871 120.400 -0.078 0.000 2.581 161 D HA -0.076 4.564 4.640 -0.000 0.000 0.238 161 D C 1.155 177.417 176.300 -0.064 0.000 1.145 161 D CA 0.534 54.496 54.000 -0.063 0.000 0.866 161 D CB 0.797 41.564 40.800 -0.054 0.000 1.151 161 D HN 0.281 nan 8.370 nan 0.000 0.500 162 E N 1.145 121.318 120.200 -0.045 0.000 2.274 162 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 162 E C 0.610 177.198 176.600 -0.020 0.000 0.996 162 E CA 0.550 56.931 56.400 -0.032 0.000 0.840 162 E CB 0.158 29.843 29.700 -0.024 0.000 0.772 162 E HN 0.490 nan 8.360 nan 0.000 0.491 163 D N 1.337 121.722 120.400 -0.025 0.000 2.519 163 D HA -0.038 4.602 4.640 -0.000 0.000 0.238 163 D C 0.278 176.562 176.300 -0.027 0.000 1.192 163 D CA 0.147 54.135 54.000 -0.020 0.000 0.835 163 D CB -0.188 40.598 40.800 -0.023 0.000 0.975 163 D HN 0.000 nan 8.370 nan 0.000 0.490 164 T N -3.786 110.754 114.554 -0.025 0.000 2.812 164 T HA 0.507 4.857 4.350 -0.000 0.000 0.294 164 T C -1.371 173.350 174.700 0.034 0.000 1.159 164 T CA -0.907 61.172 62.100 -0.035 0.000 1.008 164 T CB 2.534 71.350 68.868 -0.086 0.000 1.289 164 T HN 0.125 nan 8.240 nan 0.000 0.514 165 H N -0.854 118.164 119.070 -0.087 0.000 2.806 165 H HA 0.754 5.310 4.556 -0.000 0.000 0.367 165 H C -1.760 173.609 175.328 0.069 0.000 1.136 165 H CA -0.738 55.320 56.048 0.017 0.000 1.178 165 H CB 1.268 31.115 29.762 0.141 0.000 1.718 165 H HN 0.603 nan 8.280 nan 0.000 0.540 166 L N 4.624 125.660 121.223 -0.312 0.000 2.362 166 L HA 0.549 4.889 4.340 -0.000 0.000 0.271 166 L C -1.118 175.626 176.870 -0.210 0.000 1.002 166 L CA -0.371 54.392 54.840 -0.128 0.000 0.818 166 L CB 1.841 43.748 42.059 -0.254 0.000 1.298 166 L HN 0.496 nan 8.230 nan 0.000 0.420 167 L N 1.530 122.634 121.223 -0.198 0.000 2.422 167 L HA 0.977 5.317 4.340 -0.000 0.000 0.264 167 L C -0.050 176.468 176.870 -0.588 0.000 0.984 167 L CA -0.396 54.036 54.840 -0.680 0.000 0.819 167 L CB 2.262 43.426 42.059 -1.491 0.000 1.330 167 L HN 0.732 nan 8.230 nan 0.000 0.410 168 G N 1.856 110.299 108.800 -0.596 0.000 2.600 168 G HA2 0.750 4.710 3.960 -0.000 0.000 0.293 168 G HA3 0.750 4.710 3.960 -0.000 0.000 0.293 168 G C -1.727 172.823 174.900 -0.583 0.000 1.408 168 G CA -0.536 44.443 45.100 -0.202 0.000 0.782 168 G HN 0.703 nan 8.290 nan 0.000 0.482 169 I N -2.531 117.987 120.570 -0.087 0.000 3.174 169 I HA 0.959 5.129 4.170 -0.000 0.000 0.313 169 I C -0.744 175.461 176.117 0.147 0.000 1.155 169 I CA -1.548 59.713 61.300 -0.065 0.000 0.977 169 I CB 2.691 40.654 38.000 -0.062 0.000 1.248 169 I HN 0.853 nan 8.210 nan 0.000 0.453 170 R N 1.908 122.414 120.500 0.010 0.000 2.740 170 R HA 0.842 5.182 4.340 -0.000 0.000 0.273 170 R C -1.424 174.757 176.300 -0.199 0.000 0.998 170 R CA -0.945 54.943 56.100 -0.354 0.000 0.900 170 R CB 2.388 32.095 30.300 -0.989 0.000 1.223 170 R HN 1.006 nan 8.270 nan 0.000 0.466 171 R N 0.172 120.573 120.500 -0.165 0.000 2.733 171 R HA 0.431 4.771 4.340 -0.000 0.000 0.272 171 R C -1.480 174.820 176.300 -0.000 0.000 1.029 171 R CA -0.945 55.139 56.100 -0.027 0.000 0.888 171 R CB 1.786 32.130 30.300 0.073 0.000 1.251 171 R HN 0.551 nan 8.270 nan 0.000 0.464 172 T N 1.046 115.608 114.554 0.013 0.000 2.875 172 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 172 T C -0.702 173.981 174.700 -0.028 0.000 0.995 172 T CA -0.484 61.611 62.100 -0.009 0.000 1.060 172 T CB 1.459 70.329 68.868 0.003 0.000 0.967 172 T HN 0.306 nan 8.240 nan 0.000 0.476 173 V N 3.548 123.368 119.914 -0.157 0.000 2.588 173 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 173 V C -0.249 175.783 176.094 -0.104 0.000 1.042 173 V CA -0.982 61.207 62.300 -0.185 0.000 0.877 173 V CB 2.072 33.629 31.823 -0.444 0.000 0.996 173 V HN 0.730 nan 8.190 nan 0.000 0.425 174 Q N 3.234 123.044 119.800 0.016 0.000 3.254 174 Q HA 0.312 4.652 4.340 -0.000 0.000 0.315 174 Q C 0.223 176.294 176.000 0.119 0.000 1.405 174 Q CA 0.039 55.884 55.803 0.070 0.000 0.966 174 Q CB 0.423 29.205 28.738 0.073 0.000 1.706 174 Q HN 0.871 nan 8.270 nan 0.000 0.525 175 S N -0.484 115.328 115.700 0.187 0.000 2.547 175 S HA 0.308 4.778 4.470 -0.000 0.000 0.270 175 S C -0.554 174.246 174.600 0.334 0.000 1.150 175 S CA -1.032 57.306 58.200 0.229 0.000 0.850 175 S CB 1.682 65.011 63.200 0.215 0.000 1.118 175 S HN 0.397 nan 8.310 nan 0.000 0.461 176 N N 1.881 120.703 118.700 0.203 0.000 2.395 176 N HA -0.037 4.703 4.740 -0.000 0.000 0.246 176 N C 1.670 177.231 175.510 0.086 0.000 1.246 176 N CA 0.386 53.547 53.050 0.185 0.000 0.879 176 N CB 0.418 38.966 38.487 0.100 0.000 1.098 176 N HN 0.954 nan 8.380 nan 0.000 0.444 177 W N 5.315 126.603 121.300 -0.021 0.000 2.325 177 W HA -0.180 4.480 4.660 -0.000 0.000 0.299 177 W C 1.162 177.525 176.519 -0.259 0.000 1.215 177 W CA 0.445 57.650 57.345 -0.235 0.000 1.244 177 W CB -0.792 28.657 29.460 -0.020 0.000 1.140 177 W HN 0.592 nan 8.180 nan 0.000 0.523 178 R N 0.815 120.676 120.500 -1.065 0.000 2.120 178 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 178 R C 2.508 178.552 176.300 -0.426 0.000 1.123 178 R CA 1.731 57.281 56.100 -0.916 0.000 0.975 178 R CB -0.559 29.177 30.300 -0.940 0.000 0.866 178 R HN 0.266 nan 8.270 nan 0.000 0.446 179 L N -0.621 120.381 121.223 -0.369 0.000 2.217 179 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 179 L C 2.406 179.051 176.870 -0.375 0.000 1.107 179 L CA 1.017 55.653 54.840 -0.339 0.000 0.783 179 L CB -0.548 41.368 42.059 -0.237 0.000 0.919 179 L HN 0.346 nan 8.230 nan 0.000 0.442 180 G N -0.178 108.312 108.800 -0.515 0.000 2.404 180 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 180 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 180 G C 1.580 175.792 174.900 -1.147 0.000 1.189 180 G CA 0.703 45.406 45.100 -0.663 0.000 0.789 180 G HN 0.123 nan 8.290 nan 0.000 0.533 181 V N 1.053 120.226 119.914 -1.234 0.000 2.282 181 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 181 V C 2.605 178.344 176.094 -0.592 0.000 1.057 181 V CA 2.305 63.960 62.300 -1.075 0.000 1.032 181 V CB -0.570 30.942 31.823 -0.519 0.000 0.645 181 V HN 0.468 nan 8.190 nan 0.000 0.447 182 E N -0.148 119.814 120.200 -0.396 0.000 2.347 182 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 182 E C 2.104 178.554 176.600 -0.251 0.000 1.008 182 E CA 0.677 56.944 56.400 -0.222 0.000 0.852 182 E CB -0.194 29.425 29.700 -0.134 0.000 0.783 182 E HN 0.676 nan 8.360 nan 0.000 0.505 183 N N 0.486 118.976 118.700 -0.348 0.000 2.333 183 N HA -0.079 4.661 4.740 -0.000 0.000 0.178 183 N C 1.881 177.138 175.510 -0.421 0.000 1.018 183 N CA 1.110 53.917 53.050 -0.405 0.000 0.882 183 N CB 0.162 38.433 38.487 -0.360 0.000 0.984 183 N HN 0.111 nan 8.380 nan 0.000 0.434 184 G N -0.188 108.471 108.800 -0.236 0.000 2.396 184 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.214 184 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.214 184 G C 0.540 175.490 174.900 0.084 0.000 1.166 184 G CA -0.032 45.075 45.100 0.012 0.000 0.793 184 G HN 0.316 nan 8.290 nan 0.000 0.533 185 F N 2.386 122.223 119.950 -0.188 0.000 2.871 185 F HA 0.408 4.934 4.527 -0.000 0.000 0.317 185 F C -0.591 175.146 175.800 -0.104 0.000 1.193 185 F CA -2.005 55.897 58.000 -0.164 0.000 1.311 185 F CB -0.125 38.702 39.000 -0.289 0.000 1.380 185 F HN -0.077 nan 8.300 nan 0.000 0.557 186 D N 0.694 121.043 120.400 -0.085 0.000 2.549 186 D HA 0.108 4.747 4.640 -0.000 0.000 0.251 186 D C 0.961 177.336 176.300 0.125 0.000 1.153 186 D CA 0.008 53.986 54.000 -0.038 0.000 0.861 186 D CB 1.759 42.557 40.800 -0.003 0.000 1.207 186 D HN 0.297 nan 8.370 nan 0.000 0.543 187 T N -0.445 114.101 114.554 -0.012 0.000 3.113 187 T HA -0.038 4.312 4.350 -0.000 0.000 0.256 187 T C 1.284 176.069 174.700 0.141 0.000 1.131 187 T CA 1.087 63.221 62.100 0.056 0.000 1.074 187 T CB -0.074 68.764 68.868 -0.050 0.000 0.944 187 T HN 0.368 nan 8.240 nan 0.000 0.516 188 T N -1.064 113.578 114.554 0.147 0.000 3.003 188 T HA 0.126 4.476 4.350 -0.000 0.000 0.261 188 T C 1.683 176.482 174.700 0.165 0.000 1.003 188 T CA 0.120 62.307 62.100 0.144 0.000 0.917 188 T CB -0.447 68.552 68.868 0.218 0.000 1.084 188 T HN 0.652 nan 8.240 nan 0.000 0.522 189 H N 2.751 121.896 119.070 0.125 0.000 2.495 189 H HA 0.056 4.612 4.556 -0.000 0.000 0.287 189 H C 1.969 177.377 175.328 0.133 0.000 1.033 189 H CA 1.137 57.249 56.048 0.108 0.000 1.307 189 H CB -0.590 29.199 29.762 0.044 0.000 1.401 189 H HN 0.629 nan 8.280 nan 0.000 0.555 190 I N -1.600 118.650 120.570 -0.533 0.000 2.761 190 I HA -0.204 3.966 4.170 -0.000 0.000 0.266 190 I C 2.313 178.463 176.117 0.054 0.000 1.239 190 I CA 1.045 62.221 61.300 -0.206 0.000 1.451 190 I CB -1.097 36.876 38.000 -0.045 0.000 1.096 190 I HN 0.028 nan 8.210 nan 0.000 0.465 191 F N 3.693 123.600 119.950 -0.072 0.000 2.120 191 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 191 F C 2.396 178.229 175.800 0.055 0.000 1.095 191 F CA 2.422 60.455 58.000 0.054 0.000 1.249 191 F CB -0.339 38.677 39.000 0.028 0.000 0.995 191 F HN 0.232 nan 8.300 nan 0.000 0.480 192 M N -1.107 118.405 119.600 -0.146 0.000 2.460 192 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 192 M C 0.923 177.050 176.300 -0.288 0.000 1.071 192 M CA 1.632 56.756 55.300 -0.294 0.000 1.096 192 M CB -0.813 31.635 32.600 -0.253 0.000 1.408 192 M HN 0.093 nan 8.290 nan 0.000 0.463 193 H N 1.552 120.588 119.070 -0.056 0.000 2.539 193 H HA 0.160 4.716 4.556 -0.000 0.000 0.269 193 H C 1.869 177.247 175.328 0.083 0.000 0.980 193 H CA 0.788 56.784 56.048 -0.087 0.000 1.152 193 H CB -0.307 29.324 29.762 -0.218 0.000 1.407 193 H HN 0.649 nan 8.280 nan 0.000 0.564 194 R N 0.847 121.459 120.500 0.185 0.000 2.117 194 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 194 R C 0.561 176.967 176.300 0.177 0.000 1.143 194 R CA 1.571 57.807 56.100 0.226 0.000 0.968 194 R CB -0.163 30.250 30.300 0.189 0.000 0.863 194 R HN 0.046 nan 8.270 nan 0.000 0.444 195 N N 0.899 119.662 118.700 0.104 0.000 2.268 195 N HA 0.005 4.745 4.740 -0.000 0.000 0.204 195 N C -0.425 175.154 175.510 0.116 0.000 1.124 195 N CA 0.164 53.275 53.050 0.100 0.000 0.838 195 N CB 0.900 39.425 38.487 0.064 0.000 0.994 195 N HN 0.194 nan 8.380 nan 0.000 0.489 196 S N 2.417 118.199 115.700 0.137 0.000 2.549 196 S HA 0.109 4.579 4.470 -0.000 0.000 0.283 196 S C -1.056 173.660 174.600 0.193 0.000 1.320 196 S CA -1.051 57.242 58.200 0.154 0.000 1.058 196 S CB 0.966 64.237 63.200 0.118 0.000 0.882 196 S HN 0.109 nan 8.310 nan 0.000 0.498 197 P HA -0.085 nan 4.420 nan 0.000 0.225 197 P C 1.280 178.721 177.300 0.236 0.000 1.148 197 P CA 0.787 63.993 63.100 0.177 0.000 0.779 197 P CB -0.112 31.683 31.700 0.158 0.000 0.780 198 W N 0.910 122.275 121.300 0.108 0.000 2.467 198 W HA -0.089 4.571 4.660 -0.000 0.000 0.275 198 W C 1.436 177.987 176.519 0.054 0.000 1.239 198 W CA 0.377 57.779 57.345 0.096 0.000 1.266 198 W CB -0.138 29.422 29.460 0.167 0.000 1.112 198 W HN -0.243 nan 8.180 nan 0.000 0.576 199 V N 1.597 121.563 119.914 0.087 0.000 2.261 199 V HA -0.356 3.763 4.120 -0.000 0.000 0.246 199 V C 2.616 178.642 176.094 -0.114 0.000 1.047 199 V CA 2.805 65.082 62.300 -0.037 0.000 1.015 199 V CB -1.184 30.712 31.823 0.122 0.000 0.642 199 V HN 0.300 nan 8.190 nan 0.000 0.446 200 S N 0.282 115.953 115.700 -0.048 0.000 2.425 200 S HA 0.024 4.494 4.470 -0.000 0.000 0.225 200 S C 2.090 176.610 174.600 -0.134 0.000 1.024 200 S CA 0.893 59.054 58.200 -0.064 0.000 0.951 200 S CB -0.497 62.699 63.200 -0.006 0.000 0.796 200 S HN 0.523 nan 8.310 nan 0.000 0.498 201 G N 1.809 110.524 108.800 -0.142 0.000 2.462 201 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 201 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 201 G C 1.153 175.811 174.900 -0.404 0.000 1.121 201 G CA 0.976 45.972 45.100 -0.174 0.000 0.758 201 G HN 0.611 nan 8.290 nan 0.000 0.559 202 N N -0.623 117.670 118.700 -0.678 0.000 2.365 202 N HA 0.079 4.819 4.740 -0.000 0.000 0.257 202 N C 0.287 175.538 175.510 -0.432 0.000 1.287 202 N CA -0.534 52.064 53.050 -0.754 0.000 0.882 202 N CB -0.133 37.422 38.487 -1.554 0.000 1.250 202 N HN 0.131 nan 8.380 nan 0.000 0.507 203 R N 0.385 120.718 120.500 -0.279 0.000 3.225 203 R HA -0.183 4.157 4.340 -0.000 0.000 0.245 203 R C -0.653 175.569 176.300 -0.129 0.000 0.928 203 R CA 0.488 56.495 56.100 -0.156 0.000 0.632 203 R CB -1.883 28.351 30.300 -0.110 0.000 1.038 203 R HN 0.379 nan 8.270 nan 0.000 0.461 204 L N 0.312 121.449 121.223 -0.144 0.000 2.395 204 L HA 0.391 4.731 4.340 -0.000 0.000 0.269 204 L C 1.067 177.997 176.870 0.100 0.000 1.133 204 L CA -0.331 54.484 54.840 -0.043 0.000 0.812 204 L CB 1.286 43.292 42.059 -0.089 0.000 1.125 204 L HN 0.261 nan 8.230 nan 0.000 0.452 205 A N 3.602 126.525 122.820 0.173 0.000 2.910 205 A HA 0.358 4.678 4.320 -0.000 0.000 0.316 205 A C -0.802 177.068 177.584 0.477 0.000 1.493 205 A CA -0.152 52.034 52.037 0.248 0.000 1.150 205 A CB -0.594 18.506 19.000 0.167 0.000 1.159 205 A HN 0.443 nan 8.150 nan 0.000 0.526 206 F N 5.272 125.357 119.950 0.224 0.000 2.375 206 F HA 0.498 5.025 4.527 -0.000 0.000 0.361 206 F C -1.991 173.743 175.800 -0.108 0.000 1.117 206 F CA -2.468 55.604 58.000 0.120 0.000 1.037 206 F CB 1.712 40.798 39.000 0.143 0.000 1.192 206 F HN 0.382 nan 8.300 nan 0.000 0.452 207 P HA 0.077 nan 4.420 nan 0.000 0.277 207 P C -0.113 176.589 177.300 -0.996 0.000 1.271 207 P CA -0.013 62.314 63.100 -1.288 0.000 0.795 207 P CB 1.106 31.685 31.700 -1.868 0.000 1.101 208 Y N -0.986 119.043 120.300 -0.451 0.000 2.519 208 Y HA 0.334 4.884 4.550 -0.000 0.000 0.287 208 Y C 1.694 177.464 175.900 -0.217 0.000 1.128 208 Y CA 1.139 59.142 58.100 -0.161 0.000 1.282 208 Y CB -0.274 38.224 38.460 0.064 0.000 1.027 208 Y HN 0.562 nan 8.280 nan 0.000 0.551 209 G N -1.565 107.013 108.800 -0.370 0.000 2.387 209 G HA2 0.419 4.379 3.960 -0.000 0.000 0.294 209 G HA3 0.419 4.379 3.960 -0.000 0.000 0.294 209 G C -2.063 172.530 174.900 -0.511 0.000 1.509 209 G CA -0.997 43.912 45.100 -0.317 0.000 0.806 209 G HN -0.152 nan 8.290 nan 0.000 0.546 210 F N 0.379 120.282 119.950 -0.078 0.000 2.477 210 F HA 0.604 5.131 4.527 -0.000 0.000 0.335 210 F C 0.275 176.197 175.800 0.204 0.000 1.130 210 F CA -0.786 57.227 58.000 0.021 0.000 0.948 210 F CB 2.514 41.446 39.000 -0.114 0.000 1.154 210 F HN 0.272 nan 8.300 nan 0.000 0.439 211 V N 5.073 125.190 119.914 0.338 0.000 2.435 211 V HA 0.400 4.520 4.120 -0.000 0.000 0.290 211 V C -2.249 173.758 176.094 -0.146 0.000 1.030 211 V CA -2.441 59.922 62.300 0.105 0.000 0.881 211 V CB 1.757 33.584 31.823 0.008 0.000 0.983 211 V HN 0.477 nan 8.190 nan 0.000 0.445 212 P HA 0.074 nan 4.420 nan 0.000 0.261 212 P C 0.251 177.288 177.300 -0.438 0.000 1.183 212 P CA 0.401 62.932 63.100 -0.948 0.000 0.761 212 P CB 0.884 32.193 31.700 -0.652 0.000 0.785 213 A N 3.729 126.331 122.820 -0.363 0.000 1.973 213 A HA 0.129 4.449 4.320 -0.000 0.000 0.210 213 A C 0.502 178.010 177.584 -0.126 0.000 1.200 213 A CA 1.141 53.083 52.037 -0.160 0.000 0.707 213 A CB -0.306 18.653 19.000 -0.069 0.000 0.862 213 A HN 0.608 nan 8.150 nan 0.000 0.461 214 D N -3.782 116.533 120.400 -0.142 0.000 2.652 214 D HA 0.487 5.127 4.640 -0.000 0.000 0.285 214 D C 0.210 176.451 176.300 -0.099 0.000 1.173 214 D CA -0.809 53.135 54.000 -0.093 0.000 0.981 214 D CB 0.441 41.210 40.800 -0.052 0.000 1.440 214 D HN -0.162 nan 8.370 nan 0.000 0.485 215 R N -0.593 119.867 120.500 -0.066 0.000 2.241 215 R HA 0.048 4.388 4.340 -0.000 0.000 0.224 215 R C 0.219 176.488 176.300 -0.051 0.000 1.101 215 R CA 1.057 57.122 56.100 -0.058 0.000 0.995 215 R CB -0.253 30.022 30.300 -0.042 0.000 0.870 215 R HN 0.419 nan 8.270 nan 0.000 0.463 216 D N -0.391 119.984 120.400 -0.041 0.000 2.342 216 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 216 D C 1.154 177.452 176.300 -0.004 0.000 1.101 216 D CA 0.307 54.295 54.000 -0.020 0.000 0.837 216 D CB 0.489 41.287 40.800 -0.003 0.000 0.938 216 D HN 0.195 nan 8.370 nan 0.000 0.508 217 A N 0.264 123.057 122.820 -0.044 0.000 1.972 217 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 217 A C 1.134 178.791 177.584 0.122 0.000 1.169 217 A CA 0.980 53.003 52.037 -0.024 0.000 0.635 217 A CB -0.073 18.718 19.000 -0.348 0.000 0.810 217 A HN 0.184 nan 8.150 nan 0.000 0.446 218 M N -1.307 118.321 119.600 0.046 0.000 2.464 218 M HA 0.466 4.946 4.480 -0.000 0.000 0.308 218 M C -0.684 175.615 176.300 -0.000 0.000 1.127 218 M CA -0.153 55.188 55.300 0.068 0.000 0.913 218 M CB 2.363 34.996 32.600 0.054 0.000 1.689 218 M HN 0.273 nan 8.290 nan 0.000 0.445 219 Q N 1.997 121.784 119.800 -0.023 0.000 2.285 219 Q HA 0.611 4.951 4.340 -0.000 0.000 0.269 219 Q C -1.942 173.876 176.000 -0.305 0.000 1.030 219 Q CA -0.630 55.062 55.803 -0.185 0.000 0.788 219 Q CB 2.616 31.209 28.738 -0.243 0.000 1.266 219 Q HN 0.647 nan 8.270 nan 0.000 0.438 220 V N 4.104 123.817 119.914 -0.336 0.000 2.481 220 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 220 V C -1.063 174.768 176.094 -0.438 0.000 1.042 220 V CA -0.360 61.770 62.300 -0.283 0.000 0.928 220 V CB 0.893 32.623 31.823 -0.155 0.000 0.986 220 V HN 0.681 nan 8.190 nan 0.000 0.462 221 Y N 2.814 123.053 120.300 -0.102 0.000 2.712 221 Y HA 0.342 4.892 4.550 -0.000 0.000 0.328 221 Y C 0.491 176.347 175.900 -0.073 0.000 0.995 221 Y CA -1.062 57.017 58.100 -0.035 0.000 1.283 221 Y CB 0.771 39.283 38.460 0.086 0.000 1.092 221 Y HN 0.850 nan 8.280 nan 0.000 0.519 222 D N -1.333 119.053 120.400 -0.023 0.000 2.398 222 D HA 0.064 4.704 4.640 -0.000 0.000 0.210 222 D C -0.202 175.992 176.300 -0.177 0.000 1.094 222 D CA -0.051 53.876 54.000 -0.122 0.000 0.839 222 D CB 0.310 41.034 40.800 -0.128 0.000 0.963 222 D HN 0.379 nan 8.370 nan 0.000 0.506 223 E N 0.830 120.971 120.200 -0.099 0.000 2.134 223 E HA 0.396 4.746 4.350 -0.000 0.000 0.278 223 E C -0.455 176.068 176.600 -0.129 0.000 0.959 223 E CA -0.647 55.684 56.400 -0.114 0.000 0.783 223 E CB 0.808 30.483 29.700 -0.042 0.000 1.095 223 E HN 0.086 nan 8.360 nan 0.000 0.399 224 N N 1.008 119.571 118.700 -0.227 0.000 6.832 224 N HA -0.253 4.487 4.740 -0.000 0.000 0.417 224 N C -1.422 173.894 175.510 -0.322 0.000 0.938 224 N CA 1.178 54.116 53.050 -0.185 0.000 1.317 224 N CB -0.375 38.109 38.487 -0.005 0.000 0.820 224 N HN 0.425 nan 8.380 nan 0.000 0.305 225 W N 0.464 121.791 121.300 0.044 0.000 2.799 225 W HA 0.584 5.243 4.660 -0.000 0.000 0.349 225 W C -1.796 174.735 176.519 0.021 0.000 1.100 225 W CA -1.093 56.284 57.345 0.053 0.000 1.174 225 W CB 0.577 30.048 29.460 0.018 0.000 1.427 225 W HN 0.375 nan 8.180 nan 0.000 0.547 226 P HA 0.291 nan 4.420 nan 0.000 0.274 226 P C -1.219 176.387 177.300 0.510 0.000 1.246 226 P CA -0.310 63.057 63.100 0.445 0.000 0.795 226 P CB 1.226 33.021 31.700 0.159 0.000 1.006 227 K N 0.245 120.997 120.400 0.587 0.000 2.270 227 K HA 0.743 5.063 4.320 -0.000 0.000 0.255 227 K C 0.062 176.879 176.600 0.360 0.000 0.936 227 K CA -0.644 55.846 56.287 0.339 0.000 0.809 227 K CB 2.100 34.563 32.500 -0.062 0.000 1.131 227 K HN 0.793 nan 8.250 nan 0.000 0.427 228 G N 0.386 109.160 108.800 -0.044 0.000 2.490 228 G HA2 0.460 4.420 3.960 -0.000 0.000 0.308 228 G HA3 0.460 4.420 3.960 -0.000 0.000 0.308 228 G C -1.743 172.841 174.900 -0.526 0.000 1.286 228 G CA -0.559 44.199 45.100 -0.570 0.000 0.825 228 G HN 0.304 nan 8.290 nan 0.000 0.479 229 V N 0.111 119.636 119.914 -0.649 0.000 2.735 229 V HA 0.759 4.879 4.120 -0.000 0.000 0.310 229 V C -0.915 175.021 176.094 -0.264 0.000 1.061 229 V CA -0.754 61.376 62.300 -0.284 0.000 0.913 229 V CB 1.633 33.430 31.823 -0.043 0.000 1.005 229 V HN 0.883 nan 8.190 nan 0.000 0.428 230 L N 2.908 124.157 121.223 0.045 0.000 2.362 230 L HA 0.759 5.099 4.340 -0.000 0.000 0.275 230 L C -1.116 175.876 176.870 0.203 0.000 0.998 230 L CA 0.038 54.975 54.840 0.160 0.000 0.820 230 L CB 1.932 44.173 42.059 0.304 0.000 1.270 230 L HN 0.569 nan 8.230 nan 0.000 0.415 231 D N 4.725 125.237 120.400 0.187 0.000 2.349 231 D HA 0.330 4.970 4.640 -0.000 0.000 0.232 231 D C -0.237 176.058 176.300 -0.009 0.000 1.071 231 D CA -0.098 53.953 54.000 0.087 0.000 0.832 231 D CB 1.363 42.061 40.800 -0.170 0.000 1.086 231 D HN 0.406 nan 8.370 nan 0.000 0.504 232 R N 3.145 123.720 120.500 0.125 0.000 3.266 232 R HA 0.181 4.521 4.340 -0.000 0.000 0.224 232 R C 1.308 177.644 176.300 0.060 0.000 1.525 232 R CA -0.151 55.996 56.100 0.079 0.000 1.364 232 R CB 0.232 30.607 30.300 0.125 0.000 1.276 232 R HN 0.418 nan 8.270 nan 0.000 0.660 233 L N 0.430 121.475 121.223 -0.296 0.000 1.989 233 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 233 L C 2.521 179.292 176.870 -0.165 0.000 1.071 233 L CA 2.034 56.536 54.840 -0.563 0.000 0.749 233 L CB -0.675 40.737 42.059 -1.078 0.000 0.890 233 L HN 0.492 nan 8.230 nan 0.000 0.431 234 S N -0.638 114.998 115.700 -0.107 0.000 2.383 234 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 234 S C 1.694 176.341 174.600 0.079 0.000 1.026 234 S CA 1.110 59.325 58.200 0.025 0.000 0.981 234 S CB -0.304 62.911 63.200 0.026 0.000 0.818 234 S HN 0.510 nan 8.310 nan 0.000 0.472 235 E N 1.406 121.651 120.200 0.075 0.000 2.140 235 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 235 E C 0.483 177.142 176.600 0.098 0.000 0.973 235 E CA 0.886 57.336 56.400 0.083 0.000 0.829 235 E CB -0.128 29.614 29.700 0.069 0.000 0.781 235 E HN 0.657 nan 8.360 nan 0.000 0.466 236 N N -0.887 117.898 118.700 0.142 0.000 2.299 236 N HA 0.134 4.874 4.740 -0.000 0.000 0.246 236 N C -1.234 174.326 175.510 0.082 0.000 1.254 236 N CA -0.102 53.007 53.050 0.098 0.000 0.879 236 N CB 0.615 39.132 38.487 0.049 0.000 1.214 236 N HN -0.017 nan 8.380 nan 0.000 0.510 237 Y N 0.583 120.898 120.300 0.025 0.000 2.509 237 Y HA 0.465 5.015 4.550 -0.000 0.000 0.341 237 Y C -0.159 175.814 175.900 0.122 0.000 1.038 237 Y CA -1.160 56.977 58.100 0.061 0.000 1.089 237 Y CB 1.532 40.026 38.460 0.057 0.000 1.241 237 Y HN -0.084 nan 8.280 nan 0.000 0.468 238 M N 6.901 126.652 119.600 0.252 0.000 2.101 238 M HA 0.434 4.914 4.480 -0.000 0.000 0.340 238 M C -2.846 173.549 176.300 0.159 0.000 1.057 238 M CA -1.855 53.550 55.300 0.176 0.000 0.984 238 M CB 1.251 33.901 32.600 0.082 0.000 1.560 238 M HN 0.284 nan 8.290 nan 0.000 0.435 239 P HA 0.147 nan 4.420 nan 0.000 0.279 239 P C -1.075 176.026 177.300 -0.333 0.000 1.239 239 P CA -0.328 62.588 63.100 -0.307 0.000 0.789 239 P CB 1.179 32.693 31.700 -0.309 0.000 0.933 240 V N 4.953 124.575 119.914 -0.485 0.000 2.288 240 V HA 0.148 4.268 4.120 -0.000 0.000 0.266 240 V C 0.704 176.620 176.094 -0.296 0.000 1.048 240 V CA 0.050 62.218 62.300 -0.220 0.000 0.842 240 V CB -0.421 31.356 31.823 -0.077 0.000 1.064 240 V HN 0.432 nan 8.190 nan 0.000 0.472 241 F N 1.595 121.538 119.950 -0.012 0.000 2.776 241 F HA 0.315 4.842 4.527 -0.000 0.000 0.300 241 F C 1.134 177.041 175.800 0.178 0.000 1.116 241 F CA 0.065 58.036 58.000 -0.048 0.000 1.375 241 F CB 0.554 39.518 39.000 -0.059 0.000 1.109 241 F HN 0.416 nan 8.300 nan 0.000 0.585 242 E N 0.218 120.645 120.200 0.378 0.000 2.317 242 E HA 0.527 4.877 4.350 -0.000 0.000 0.270 242 E C -0.961 175.752 176.600 0.189 0.000 0.899 242 E CA -0.522 56.071 56.400 0.323 0.000 0.814 242 E CB 1.794 31.618 29.700 0.207 0.000 1.296 242 E HN -0.008 nan 8.360 nan 0.000 0.404 243 A N 2.408 125.275 122.820 0.079 0.000 2.301 243 A HA 0.594 4.914 4.320 -0.000 0.000 0.298 243 A C 0.199 177.767 177.584 -0.028 0.000 1.185 243 A CA -0.349 51.662 52.037 -0.044 0.000 0.830 243 A CB 0.473 19.340 19.000 -0.221 0.000 1.112 243 A HN 0.517 nan 8.150 nan 0.000 0.508 244 T N 0.233 114.773 114.554 -0.022 0.000 2.885 244 T HA 0.704 5.053 4.350 -0.000 0.000 0.285 244 T C -0.627 174.055 174.700 -0.031 0.000 1.019 244 T CA -0.685 61.406 62.100 -0.015 0.000 1.010 244 T CB 1.292 70.161 68.868 0.002 0.000 1.022 244 T HN 0.643 nan 8.240 nan 0.000 0.466 245 L N 2.111 123.319 121.223 -0.025 0.000 2.541 245 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 245 L C -1.097 175.762 176.870 -0.019 0.000 0.966 245 L CA -0.540 54.282 54.840 -0.029 0.000 0.871 245 L CB 1.222 43.260 42.059 -0.035 0.000 1.232 245 L HN 0.882 nan 8.230 nan 0.000 0.408 246 D N 4.287 124.676 120.400 -0.018 0.000 2.812 246 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 246 D C 1.011 177.307 176.300 -0.007 0.000 1.162 246 D CA 1.459 55.451 54.000 -0.013 0.000 0.740 246 D CB -0.550 40.242 40.800 -0.013 0.000 1.000 246 D HN 1.124 nan 8.370 nan 0.000 0.416 247 G N 0.341 109.138 108.800 -0.005 0.000 2.258 247 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.274 247 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.274 247 G C 0.089 174.991 174.900 0.003 0.000 1.021 247 G CA 1.052 46.152 45.100 0.000 0.000 0.798 247 G HN 0.563 nan 8.290 nan 0.000 0.507 248 E N -0.384 119.816 120.200 0.001 0.000 2.278 248 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 248 E C -0.083 176.521 176.600 0.006 0.000 0.890 248 E CA -0.452 55.950 56.400 0.004 0.000 0.770 248 E CB 1.037 30.738 29.700 0.002 0.000 1.212 248 E HN 0.032 nan 8.360 nan 0.000 0.415 249 T N 3.431 117.994 114.554 0.015 0.000 2.752 249 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 249 T C 0.986 175.695 174.700 0.015 0.000 0.923 249 T CA 0.080 62.193 62.100 0.021 0.000 1.112 249 T CB 0.417 69.309 68.868 0.040 0.000 0.884 249 T HN 0.436 nan 8.240 nan 0.000 0.525 250 V N 2.021 121.934 119.914 -0.001 0.000 3.643 250 V HA 0.545 4.665 4.120 -0.000 0.000 0.280 250 V C -0.065 176.022 176.094 -0.012 0.000 1.351 250 V CA -0.023 62.274 62.300 -0.006 0.000 1.073 250 V CB -0.142 31.672 31.823 -0.016 0.000 0.863 250 V HN 0.507 nan 8.190 nan 0.000 0.436 251 L N 0.455 121.667 121.223 -0.019 0.000 2.513 251 L HA 0.784 5.124 4.340 -0.000 0.000 0.261 251 L C -0.852 176.097 176.870 0.131 0.000 0.945 251 L CA -0.024 54.799 54.840 -0.028 0.000 0.848 251 L CB 2.130 44.002 42.059 -0.313 0.000 1.334 251 L HN 0.136 nan 8.230 nan 0.000 0.407 252 S N 2.650 118.515 115.700 0.275 0.000 2.720 252 S HA 0.857 5.327 4.470 -0.000 0.000 0.278 252 S C -0.783 174.017 174.600 0.333 0.000 1.172 252 S CA -0.132 58.269 58.200 0.334 0.000 1.019 252 S CB 1.086 64.395 63.200 0.182 0.000 1.049 252 S HN 0.912 nan 8.310 nan 0.000 0.483 253 A N 3.668 126.675 122.820 0.310 0.000 2.409 253 A HA 0.423 4.743 4.320 -0.000 0.000 0.262 253 A C 0.523 178.170 177.584 0.106 0.000 1.113 253 A CA -0.241 51.876 52.037 0.133 0.000 0.790 253 A CB 0.184 19.157 19.000 -0.044 0.000 1.046 253 A HN 0.762 nan 8.150 nan 0.000 0.496 254 E N 2.504 122.749 120.200 0.076 0.000 2.311 254 E HA 0.016 4.366 4.350 -0.000 0.000 0.247 254 E C -1.134 175.452 176.600 -0.024 0.000 1.215 254 E CA 0.464 56.882 56.400 0.030 0.000 0.957 254 E CB -0.167 29.550 29.700 0.028 0.000 1.020 254 E HN 0.584 nan 8.360 nan 0.000 0.461 255 L N 4.410 125.586 121.223 -0.079 0.000 2.287 255 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 255 L C -0.162 176.619 176.870 -0.150 0.000 1.022 255 L CA -0.072 54.645 54.840 -0.205 0.000 0.814 255 L CB 1.569 43.375 42.059 -0.421 0.000 1.217 255 L HN 0.493 nan 8.230 nan 0.000 0.420 256 T N 1.972 116.445 114.554 -0.135 0.000 2.717 256 T HA 0.361 4.711 4.350 -0.000 0.000 0.315 256 T C 0.036 174.691 174.700 -0.075 0.000 1.746 256 T CA 0.123 62.167 62.100 -0.092 0.000 1.001 256 T CB 0.735 69.568 68.868 -0.058 0.000 1.673 256 T HN 0.765 nan 8.240 nan 0.000 0.498 257 G N 0.657 109.424 108.800 -0.055 0.000 2.785 257 G HA2 0.411 4.371 3.960 -0.000 0.000 0.256 257 G HA3 0.411 4.371 3.960 -0.000 0.000 0.256 257 G C -0.062 174.817 174.900 -0.035 0.000 1.248 257 G CA 0.646 45.722 45.100 -0.040 0.000 0.914 257 G HN 1.045 nan 8.290 nan 0.000 0.580 258 E N -1.180 119.005 120.200 -0.026 0.000 2.694 258 E HA -0.149 4.201 4.350 -0.000 0.000 0.272 258 E C -0.022 176.560 176.600 -0.030 0.000 1.040 258 E CA 1.506 57.891 56.400 -0.025 0.000 0.809 258 E CB -1.560 28.125 29.700 -0.025 0.000 1.389 258 E HN 0.774 nan 8.360 nan 0.000 0.413 259 E N 0.163 120.346 120.200 -0.028 0.000 2.256 259 E HA 0.338 4.688 4.350 -0.000 0.000 0.268 259 E C -0.427 176.167 176.600 -0.009 0.000 0.877 259 E CA -0.772 55.612 56.400 -0.027 0.000 0.757 259 E CB 1.737 31.420 29.700 -0.028 0.000 1.183 259 E HN -0.040 nan 8.360 nan 0.000 0.418 260 K N 2.210 122.600 120.400 -0.016 0.000 2.326 260 K HA 0.196 4.516 4.320 -0.000 0.000 0.275 260 K C -0.312 176.317 176.600 0.048 0.000 1.018 260 K CA 0.075 56.362 56.287 0.001 0.000 0.962 260 K CB 0.680 33.160 32.500 -0.032 0.000 0.953 260 K HN 0.185 nan 8.250 nan 0.000 0.475 261 K N 2.277 122.716 120.400 0.066 0.000 2.234 261 K HA 0.270 4.590 4.320 -0.000 0.000 0.277 261 K C -0.220 176.457 176.600 0.128 0.000 1.038 261 K CA -0.609 55.749 56.287 0.120 0.000 0.888 261 K CB 1.214 33.778 32.500 0.106 0.000 1.091 261 K HN 0.414 nan 8.250 nan 0.000 0.467 262 V N -1.294 118.745 119.914 0.208 0.000 3.156 262 V HA 0.805 4.924 4.120 -0.000 0.000 0.311 262 V C -0.157 176.117 176.094 0.299 0.000 1.208 262 V CA -1.061 61.382 62.300 0.237 0.000 1.063 262 V CB 1.307 33.285 31.823 0.259 0.000 1.098 262 V HN 0.881 nan 8.190 nan 0.000 0.452 263 A N -0.363 122.635 122.820 0.296 0.000 2.362 263 A HA 0.055 4.375 4.320 -0.000 0.000 0.290 263 A C 1.299 178.835 177.584 -0.079 0.000 1.441 263 A CA 1.347 53.459 52.037 0.124 0.000 0.743 263 A CB -1.669 17.468 19.000 0.227 0.000 1.125 263 A HN 2.525 nan 8.150 nan 0.000 0.378 264 A N 0.013 122.805 122.820 -0.048 0.000 2.044 264 A HA 0.391 4.711 4.320 -0.000 0.000 0.213 264 A C 0.915 178.410 177.584 -0.148 0.000 1.169 264 A CA 1.568 53.553 52.037 -0.085 0.000 0.724 264 A CB 0.175 19.173 19.000 -0.005 0.000 0.840 264 A HN 0.947 nan 8.150 nan 0.000 0.463 265 Q N -1.529 118.201 119.800 -0.116 0.000 2.377 265 Q HA 0.612 4.952 4.340 -0.000 0.000 0.279 265 Q C -1.764 174.193 176.000 -0.073 0.000 1.049 265 Q CA -0.533 55.215 55.803 -0.092 0.000 0.825 265 Q CB 2.826 31.564 28.738 -0.001 0.000 1.401 265 Q HN 0.147 nan 8.270 nan 0.000 0.404 266 V N 1.130 121.020 119.914 -0.039 0.000 2.777 266 V HA 0.817 4.937 4.120 -0.000 0.000 0.306 266 V C -1.648 174.560 176.094 0.190 0.000 1.112 266 V CA -0.090 62.238 62.300 0.046 0.000 0.917 266 V CB 2.101 33.926 31.823 0.003 0.000 1.018 266 V HN 0.940 nan 8.190 nan 0.000 0.426 267 S N 4.839 120.622 115.700 0.139 0.000 2.618 267 S HA 0.877 5.347 4.470 -0.000 0.000 0.277 267 S C -1.278 173.074 174.600 -0.413 0.000 1.138 267 S CA -0.595 57.547 58.200 -0.097 0.000 0.844 267 S CB 1.768 64.989 63.200 0.034 0.000 1.127 267 S HN 1.597 nan 8.310 nan 0.000 0.474 268 V N 1.256 120.540 119.914 -1.049 0.000 2.789 268 V HA 0.866 4.986 4.120 -0.000 0.000 0.311 268 V C -2.234 173.322 176.094 -0.896 0.000 1.073 268 V CA -0.569 61.190 62.300 -0.902 0.000 0.921 268 V CB 1.582 32.566 31.823 -1.398 0.000 1.009 268 V HN 0.975 nan 8.190 nan 0.000 0.426 269 W N 4.396 125.569 121.300 -0.210 0.000 3.032 269 W HA 0.675 5.335 4.660 -0.000 0.000 0.335 269 W C -0.489 176.114 176.519 0.140 0.000 1.154 269 W CA -0.803 56.553 57.345 0.018 0.000 1.204 269 W CB 1.448 30.911 29.460 0.005 0.000 1.416 269 W HN 0.469 nan 8.180 nan 0.000 0.521 270 L N 4.664 126.194 121.223 0.511 0.000 2.506 270 L HA 0.031 4.371 4.340 -0.000 0.000 0.281 270 L C -0.800 176.183 176.870 0.189 0.000 1.228 270 L CA -0.916 54.173 54.840 0.415 0.000 0.850 270 L CB 0.625 42.919 42.059 0.392 0.000 1.110 270 L HN 0.250 nan 8.230 nan 0.000 0.496 271 P HA 0.053 nan 4.420 nan 0.000 0.245 271 P C 0.412 178.022 177.300 0.517 0.000 1.212 271 P CA 0.604 63.694 63.100 -0.016 0.000 0.774 271 P CB 0.546 31.982 31.700 -0.439 0.000 0.999 272 G N -0.961 108.089 108.800 0.418 0.000 2.596 272 G HA2 0.097 4.057 3.960 -0.000 0.000 0.233 272 G HA3 0.097 4.057 3.960 -0.000 0.000 0.233 272 G C -0.994 174.044 174.900 0.230 0.000 2.234 272 G CA -0.639 44.692 45.100 0.385 0.000 0.878 272 G HN 0.062 nan 8.290 nan 0.000 0.491 273 V N 0.960 120.899 119.914 0.041 0.000 2.540 273 V HA 0.753 4.872 4.120 -0.000 0.000 0.302 273 V C 0.188 176.263 176.094 -0.032 0.000 1.035 273 V CA -1.033 61.176 62.300 -0.153 0.000 0.873 273 V CB 1.873 33.444 31.823 -0.420 0.000 0.992 273 V HN 0.507 nan 8.190 nan 0.000 0.428 274 L N 4.133 125.352 121.223 -0.006 0.000 2.360 274 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 274 L C -0.162 176.779 176.870 0.119 0.000 1.057 274 L CA 0.129 55.017 54.840 0.079 0.000 0.803 274 L CB 1.294 43.465 42.059 0.187 0.000 1.207 274 L HN 0.746 nan 8.230 nan 0.000 0.445 275 K N 3.296 123.771 120.400 0.124 0.000 2.541 275 K HA 0.695 5.015 4.320 -0.000 0.000 0.250 275 K C -2.123 174.467 176.600 -0.017 0.000 0.950 275 K CA -0.618 55.679 56.287 0.016 0.000 0.805 275 K CB 1.652 34.236 32.500 0.140 0.000 1.166 275 K HN 0.441 nan 8.250 nan 0.000 0.430 276 V N 2.831 122.679 119.914 -0.109 0.000 2.709 276 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 276 V C -1.355 174.710 176.094 -0.048 0.000 1.062 276 V CA -0.709 61.545 62.300 -0.077 0.000 0.901 276 V CB 1.811 33.537 31.823 -0.162 0.000 1.003 276 V HN 1.044 nan 8.190 nan 0.000 0.425 277 D N 3.052 123.451 120.400 -0.001 0.000 2.706 277 D HA 0.505 5.145 4.640 -0.000 0.000 0.227 277 D C -3.385 172.942 176.300 0.045 0.000 1.233 277 D CA -1.467 52.549 54.000 0.027 0.000 0.768 277 D CB 2.212 42.988 40.800 -0.040 0.000 1.490 277 D HN 0.288 nan 8.370 nan 0.000 0.458 278 P HA 0.516 nan 4.420 nan 0.000 0.275 278 P C -1.271 176.121 177.300 0.153 0.000 1.227 278 P CA -0.189 62.941 63.100 0.049 0.000 0.781 278 P CB 0.344 32.056 31.700 0.019 0.000 0.906 279 F N 3.607 123.492 119.950 -0.109 0.000 2.704 279 F HA 0.261 4.788 4.527 -0.000 0.000 0.312 279 F C -2.308 173.385 175.800 -0.179 0.000 1.108 279 F CA -1.662 56.267 58.000 -0.119 0.000 1.005 279 F CB 2.213 41.153 39.000 -0.100 0.000 1.277 279 F HN 0.228 nan 8.300 nan 0.000 0.445 280 P HA 0.114 nan 4.420 nan 0.000 0.255 280 P C -0.901 176.097 177.300 -0.503 0.000 1.301 280 P CA 0.771 63.088 63.100 -1.305 0.000 0.817 280 P CB 0.285 31.373 31.700 -1.021 0.000 1.259 281 D N -1.079 119.107 120.400 -0.357 0.000 2.602 281 D HA 0.294 4.934 4.640 -0.000 0.000 0.236 281 D C -2.196 174.023 176.300 -0.134 0.000 1.209 281 D CA -2.142 51.756 54.000 -0.170 0.000 0.831 281 D CB 1.671 42.347 40.800 -0.206 0.000 1.478 281 D HN -0.389 nan 8.370 nan 0.000 0.438 282 P HA -0.068 nan 4.420 nan 0.000 0.219 282 P C 0.801 178.069 177.300 -0.054 0.000 1.146 282 P CA 1.447 64.529 63.100 -0.029 0.000 0.808 282 P CB 0.062 31.764 31.700 0.002 0.000 0.779 283 T N -4.647 109.863 114.554 -0.074 0.000 3.129 283 T HA 0.211 4.561 4.350 -0.000 0.000 0.251 283 T C 0.461 175.042 174.700 -0.197 0.000 1.117 283 T CA 0.192 62.235 62.100 -0.095 0.000 1.034 283 T CB -0.556 68.298 68.868 -0.023 0.000 0.968 283 T HN -0.072 nan 8.240 nan 0.000 0.526 284 L N 0.033 121.114 121.223 -0.237 0.000 2.303 284 L HA 0.706 5.046 4.340 -0.000 0.000 0.256 284 L C -0.806 175.958 176.870 -0.178 0.000 1.034 284 L CA -1.596 53.079 54.840 -0.275 0.000 0.832 284 L CB 2.351 44.155 42.059 -0.425 0.000 1.403 284 L HN 0.021 nan 8.230 nan 0.000 0.419 285 I N 0.981 121.449 120.570 -0.171 0.000 2.582 285 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 285 I C -0.882 175.105 176.117 -0.217 0.000 1.066 285 I CA -0.421 60.761 61.300 -0.196 0.000 1.053 285 I CB 2.322 40.172 38.000 -0.251 0.000 1.241 285 I HN 0.577 nan 8.210 nan 0.000 0.421 286 Q N 5.066 124.749 119.800 -0.196 0.000 2.322 286 Q HA 0.481 4.820 4.340 -0.000 0.000 0.265 286 Q C -1.963 173.914 176.000 -0.204 0.000 0.985 286 Q CA -0.589 55.170 55.803 -0.072 0.000 0.849 286 Q CB 1.676 30.509 28.738 0.158 0.000 1.274 286 Q HN 0.483 nan 8.270 nan 0.000 0.449 287 Y N 1.446 121.855 120.300 0.181 0.000 2.409 287 Y HA 0.430 4.980 4.550 -0.000 0.000 0.339 287 Y C -0.252 175.730 175.900 0.137 0.000 1.033 287 Y CA -0.684 57.511 58.100 0.159 0.000 1.094 287 Y CB 1.896 40.561 38.460 0.343 0.000 1.210 287 Y HN 0.509 nan 8.280 nan 0.000 0.456 288 E N 2.724 122.980 120.200 0.094 0.000 2.272 288 E HA 0.488 4.838 4.350 -0.000 0.000 0.269 288 E C -1.729 174.613 176.600 -0.430 0.000 0.877 288 E CA -0.784 55.612 56.400 -0.006 0.000 0.755 288 E CB 2.297 32.050 29.700 0.088 0.000 1.192 288 E HN 0.356 nan 8.360 nan 0.000 0.422 289 F N 0.897 120.711 119.950 -0.227 0.000 2.546 289 F HA 0.407 4.934 4.527 -0.000 0.000 0.320 289 F C -0.485 175.175 175.800 -0.234 0.000 1.076 289 F CA -0.743 57.150 58.000 -0.178 0.000 0.928 289 F CB 1.168 40.115 39.000 -0.089 0.000 1.189 289 F HN 0.392 nan 8.300 nan 0.000 0.465 290 Y N 1.306 121.947 120.300 0.569 0.000 2.490 290 Y HA 0.416 4.966 4.550 -0.000 0.000 0.346 290 Y C -0.605 175.567 175.900 0.453 0.000 1.023 290 Y CA -1.020 57.408 58.100 0.546 0.000 1.142 290 Y CB 0.470 39.109 38.460 0.299 0.000 1.126 290 Y HN 0.164 nan 8.280 nan 0.000 0.647 291 V N 3.154 123.371 119.914 0.507 0.000 2.485 291 V HA 0.108 4.228 4.120 -0.000 0.000 0.287 291 V C -2.105 174.095 176.094 0.176 0.000 1.022 291 V CA -1.810 60.621 62.300 0.218 0.000 1.067 291 V CB 0.409 32.332 31.823 0.167 0.000 0.967 291 V HN 0.293 nan 8.190 nan 0.000 0.479 292 P HA 0.192 nan 4.420 nan 0.000 0.265 292 P C 0.528 177.832 177.300 0.006 0.000 1.193 292 P CA 0.337 63.426 63.100 -0.019 0.000 0.765 292 P CB 0.767 32.254 31.700 -0.355 0.000 0.823 293 I N 0.489 121.117 120.570 0.096 0.000 2.900 293 I HA 0.022 4.192 4.170 -0.000 0.000 0.251 293 I C 1.194 177.336 176.117 0.042 0.000 1.102 293 I CA 0.812 62.147 61.300 0.058 0.000 1.457 293 I CB 0.036 38.086 38.000 0.083 0.000 1.285 293 I HN 0.406 nan 8.210 nan 0.000 0.459 294 S N -0.539 115.209 115.700 0.080 0.000 2.851 294 S HA 0.338 4.808 4.470 -0.000 0.000 0.313 294 S C 0.265 174.932 174.600 0.110 0.000 1.163 294 S CA -0.581 57.661 58.200 0.070 0.000 0.850 294 S CB 1.554 64.793 63.200 0.064 0.000 1.245 294 S HN 0.026 nan 8.310 nan 0.000 0.558 295 E N 1.010 121.269 120.200 0.099 0.000 2.265 295 E HA 0.016 4.366 4.350 -0.000 0.000 0.196 295 E C 1.439 178.130 176.600 0.151 0.000 0.996 295 E CA 1.682 58.156 56.400 0.123 0.000 0.832 295 E CB -0.260 29.494 29.700 0.092 0.000 0.756 295 E HN 0.813 nan 8.360 nan 0.000 0.491 296 T N -3.216 111.421 114.554 0.139 0.000 3.132 296 T HA 0.282 4.632 4.350 -0.000 0.000 0.274 296 T C 0.218 175.020 174.700 0.170 0.000 1.011 296 T CA -0.527 61.661 62.100 0.146 0.000 0.899 296 T CB 0.206 69.139 68.868 0.109 0.000 1.089 296 T HN -0.107 nan 8.240 nan 0.000 0.543 297 Q N 1.261 121.179 119.800 0.196 0.000 2.416 297 Q HA 0.496 4.836 4.340 -0.000 0.000 0.281 297 Q C -1.220 174.956 176.000 0.293 0.000 1.067 297 Q CA -1.123 54.797 55.803 0.196 0.000 0.809 297 Q CB 2.108 30.912 28.738 0.109 0.000 1.418 297 Q HN 0.627 nan 8.270 nan 0.000 0.411 298 H N -0.808 118.377 119.070 0.192 0.000 2.985 298 H HA 0.540 5.096 4.556 -0.000 0.000 0.360 298 H C -1.390 174.083 175.328 0.242 0.000 1.221 298 H CA -0.997 55.196 56.048 0.243 0.000 1.121 298 H CB 2.014 31.992 29.762 0.360 0.000 1.854 298 H HN 0.589 nan 8.280 nan 0.000 0.551 299 E N 1.516 121.918 120.200 0.337 0.000 2.081 299 E HA 0.157 4.507 4.350 -0.000 0.000 0.276 299 E C -1.628 175.245 176.600 0.454 0.000 0.950 299 E CA -0.685 55.859 56.400 0.241 0.000 0.776 299 E CB 0.181 30.023 29.700 0.235 0.000 1.094 299 E HN 0.421 nan 8.360 nan 0.000 0.402 300 Y N 6.152 126.541 120.300 0.148 0.000 2.452 300 Y HA 0.344 4.893 4.550 -0.000 0.000 0.348 300 Y C -1.460 174.504 175.900 0.106 0.000 0.985 300 Y CA -1.164 57.083 58.100 0.245 0.000 1.214 300 Y CB -0.100 38.487 38.460 0.212 0.000 1.136 300 Y HN 0.389 nan 8.280 nan 0.000 0.523 301 F N 4.440 124.444 119.950 0.089 0.000 2.421 301 F HA 0.486 5.012 4.527 -0.000 0.000 0.337 301 F C -0.157 175.612 175.800 -0.051 0.000 1.105 301 F CA -0.510 57.507 58.000 0.029 0.000 1.049 301 F CB 1.553 40.616 39.000 0.105 0.000 1.139 301 F HN 0.356 nan 8.300 nan 0.000 0.479 302 Q N 2.670 122.538 119.800 0.113 0.000 2.309 302 Q HA 0.644 4.984 4.340 -0.000 0.000 0.270 302 Q C -1.496 174.697 176.000 0.321 0.000 1.023 302 Q CA -0.709 55.153 55.803 0.099 0.000 0.758 302 Q CB 2.805 31.459 28.738 -0.140 0.000 1.247 302 Q HN 0.407 nan 8.270 nan 0.000 0.455 303 V N 4.016 124.186 119.914 0.428 0.000 2.531 303 V HA 0.469 4.589 4.120 -0.000 0.000 0.301 303 V C -0.535 175.783 176.094 0.374 0.000 1.034 303 V CA -0.724 61.839 62.300 0.439 0.000 0.865 303 V CB 1.621 33.807 31.823 0.606 0.000 0.995 303 V HN 0.659 nan 8.190 nan 0.000 0.424 304 L N 4.248 125.632 121.223 0.269 0.000 2.295 304 L HA 0.615 4.955 4.340 -0.000 0.000 0.285 304 L C -0.129 176.874 176.870 0.220 0.000 1.035 304 L CA -0.306 54.675 54.840 0.234 0.000 0.806 304 L CB 1.683 43.911 42.059 0.281 0.000 1.214 304 L HN 0.681 nan 8.230 nan 0.000 0.426 305 Q N 3.259 123.105 119.800 0.077 0.000 2.322 305 Q HA 0.474 4.814 4.340 -0.000 0.000 0.265 305 Q C -0.972 174.846 176.000 -0.304 0.000 0.985 305 Q CA -0.891 54.882 55.803 -0.050 0.000 0.849 305 Q CB 1.945 30.735 28.738 0.086 0.000 1.274 305 Q HN 0.458 nan 8.270 nan 0.000 0.449 306 R N 2.863 123.033 120.500 -0.551 0.000 2.534 306 R HA 0.330 4.670 4.340 -0.000 0.000 0.301 306 R C -1.552 174.539 176.300 -0.349 0.000 0.961 306 R CA -0.585 55.100 56.100 -0.693 0.000 0.871 306 R CB 1.237 30.588 30.300 -1.582 0.000 1.170 306 R HN 0.509 nan 8.270 nan 0.000 0.446 307 K N 3.891 124.153 120.400 -0.229 0.000 2.349 307 K HA 0.318 4.638 4.320 -0.000 0.000 0.288 307 K C -0.580 175.958 176.600 -0.104 0.000 1.058 307 K CA -0.455 55.756 56.287 -0.128 0.000 0.953 307 K CB 0.538 32.984 32.500 -0.091 0.000 0.997 307 K HN 0.516 nan 8.250 nan 0.000 0.477 308 V N 1.019 120.896 119.914 -0.062 0.000 2.864 308 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 308 V C -0.010 176.072 176.094 -0.020 0.000 1.073 308 V CA -0.543 61.736 62.300 -0.034 0.000 0.956 308 V CB 1.824 33.640 31.823 -0.012 0.000 1.023 308 V HN 0.911 nan 8.190 nan 0.000 0.435 309 E N 2.219 122.411 120.200 -0.013 0.000 2.489 309 E HA 0.540 4.890 4.350 -0.000 0.000 0.204 309 E C 0.694 177.290 176.600 -0.007 0.000 1.006 309 E CA 0.637 57.031 56.400 -0.009 0.000 0.936 309 E CB 1.198 30.893 29.700 -0.007 0.000 1.002 309 E HN 1.139 nan 8.360 nan 0.000 0.488 310 G N 0.345 109.140 108.800 -0.008 0.000 2.342 310 G HA2 0.088 4.048 3.960 -0.000 0.000 0.297 310 G HA3 0.088 4.048 3.960 -0.000 0.000 0.297 310 G C -2.551 172.338 174.900 -0.017 0.000 1.313 310 G CA -0.938 44.156 45.100 -0.009 0.000 0.830 310 G HN -0.311 nan 8.290 nan 0.000 0.506 311 P HA -0.055 nan 4.420 nan 0.000 0.217 311 P C 1.450 178.733 177.300 -0.028 0.000 1.148 311 P CA 1.520 64.600 63.100 -0.032 0.000 0.828 311 P CB 0.416 32.103 31.700 -0.022 0.000 0.783 312 E N 0.338 120.531 120.200 -0.012 0.000 2.047 312 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 312 E C 1.343 177.950 176.600 0.012 0.000 0.987 312 E CA 1.753 58.153 56.400 -0.001 0.000 0.799 312 E CB -0.979 28.723 29.700 0.004 0.000 0.752 312 E HN 0.193 nan 8.360 nan 0.000 0.449 313 D N -0.629 119.778 120.400 0.013 0.000 2.144 313 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 313 D C 1.957 178.294 176.300 0.061 0.000 0.984 313 D CA 1.254 55.275 54.000 0.036 0.000 0.834 313 D CB -0.047 40.762 40.800 0.015 0.000 0.955 313 D HN 0.075 nan 8.370 nan 0.000 0.465 314 V N 0.723 120.633 119.914 -0.005 0.000 2.261 314 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 314 V C 2.334 178.415 176.094 -0.023 0.000 1.047 314 V CA 1.683 63.932 62.300 -0.085 0.000 1.015 314 V CB -0.461 31.192 31.823 -0.284 0.000 0.642 314 V HN 0.183 nan 8.190 nan 0.000 0.446 315 K N -0.315 120.068 120.400 -0.027 0.000 2.063 315 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 315 K C 2.158 178.785 176.600 0.046 0.000 1.048 315 K CA 2.077 58.359 56.287 -0.008 0.000 0.928 315 K CB -0.341 32.152 32.500 -0.013 0.000 0.713 315 K HN 0.503 nan 8.250 nan 0.000 0.442 316 T N 0.869 115.472 114.554 0.081 0.000 2.788 316 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 316 T C 1.332 176.169 174.700 0.228 0.000 1.044 316 T CA 1.291 63.463 62.100 0.121 0.000 1.139 316 T CB -0.324 68.614 68.868 0.116 0.000 0.867 316 T HN 0.274 nan 8.240 nan 0.000 0.454 317 F N 2.212 122.220 119.950 0.097 0.000 2.146 317 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 317 F C 2.106 178.037 175.800 0.219 0.000 1.096 317 F CA 0.938 59.052 58.000 0.190 0.000 1.275 317 F CB -0.495 38.594 39.000 0.149 0.000 1.008 317 F HN 0.212 nan 8.300 nan 0.000 0.480 318 E N -0.258 119.936 120.200 -0.009 0.000 2.110 318 E HA -0.170 4.179 4.350 -0.000 0.000 0.193 318 E C 2.339 178.935 176.600 -0.007 0.000 0.988 318 E CA 1.581 57.916 56.400 -0.107 0.000 0.804 318 E CB -0.407 29.256 29.700 -0.062 0.000 0.745 318 E HN 0.302 nan 8.360 nan 0.000 0.458 319 V N 1.738 121.665 119.914 0.022 0.000 2.358 319 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 319 V C 2.032 178.117 176.094 -0.014 0.000 1.047 319 V CA 1.834 64.137 62.300 0.006 0.000 1.035 319 V CB -0.472 31.353 31.823 0.005 0.000 0.658 319 V HN 0.231 nan 8.190 nan 0.000 0.452 320 E N -0.481 119.732 120.200 0.022 0.000 2.110 320 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 320 E C 2.063 178.552 176.600 -0.185 0.000 0.988 320 E CA 1.487 57.806 56.400 -0.136 0.000 0.804 320 E CB -0.254 29.455 29.700 0.015 0.000 0.745 320 E HN 0.596 nan 8.360 nan 0.000 0.458 321 F N 2.262 122.177 119.950 -0.059 0.000 2.102 321 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 321 F C 2.402 178.150 175.800 -0.087 0.000 1.105 321 F CA 1.906 59.897 58.000 -0.014 0.000 1.239 321 F CB -0.029 38.818 39.000 -0.255 0.000 0.991 321 F HN -0.104 nan 8.300 nan 0.000 0.474 322 E N 0.544 120.745 120.200 0.001 0.000 2.077 322 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 322 E C 1.848 178.362 176.600 -0.143 0.000 0.989 322 E CA 2.068 58.422 56.400 -0.078 0.000 0.800 322 E CB -0.343 29.350 29.700 -0.012 0.000 0.746 322 E HN 0.634 nan 8.360 nan 0.000 0.452 323 E N -0.932 119.180 120.200 -0.148 0.000 2.400 323 E HA 0.090 4.440 4.350 -0.000 0.000 0.195 323 E C 1.893 178.369 176.600 -0.206 0.000 1.012 323 E CA 0.188 56.495 56.400 -0.154 0.000 0.875 323 E CB 0.547 30.169 29.700 -0.130 0.000 0.859 323 E HN 0.080 nan 8.360 nan 0.000 0.498 324 R N -0.537 119.778 120.500 -0.309 0.000 4.528 324 R HA 0.056 4.396 4.340 -0.000 0.000 0.121 324 R C 1.170 177.283 176.300 -0.311 0.000 0.727 324 R CA 0.028 55.919 56.100 -0.349 0.000 0.977 324 R CB -0.443 29.520 30.300 -0.562 0.000 1.506 324 R HN 0.065 nan 8.270 nan 0.000 0.428 325 W N 2.078 123.259 121.300 -0.199 0.000 2.301 325 W HA -0.208 4.452 4.660 -0.000 0.000 0.325 325 W C 2.445 178.646 176.519 -0.530 0.000 1.250 325 W CA 1.135 58.285 57.345 -0.325 0.000 1.261 325 W CB -0.355 29.055 29.460 -0.083 0.000 1.157 325 W HN 0.209 nan 8.180 nan 0.000 0.473 326 R N 0.759 120.909 120.500 -0.583 0.000 2.097 326 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 326 R C 1.610 177.725 176.300 -0.308 0.000 1.135 326 R CA 2.501 58.168 56.100 -0.720 0.000 0.934 326 R CB -0.775 28.881 30.300 -1.075 0.000 0.846 326 R HN 0.146 nan 8.270 nan 0.000 0.431 327 D N 0.059 120.344 120.400 -0.192 0.000 2.162 327 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 327 D C 1.474 177.755 176.300 -0.031 0.000 0.967 327 D CA 0.892 54.884 54.000 -0.013 0.000 0.840 327 D CB -0.273 40.506 40.800 -0.035 0.000 0.972 327 D HN 0.275 nan 8.370 nan 0.000 0.482 328 D N 0.225 120.552 120.400 -0.122 0.000 2.234 328 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 328 D C 1.677 177.768 176.300 -0.349 0.000 0.962 328 D CA 0.756 54.706 54.000 -0.083 0.000 0.855 328 D CB 0.312 41.156 40.800 0.075 0.000 0.951 328 D HN 0.153 nan 8.370 nan 0.000 0.500 329 A N 0.188 122.627 122.820 -0.635 0.000 2.010 329 A HA 0.167 4.487 4.320 -0.000 0.000 0.210 329 A C 2.129 179.557 177.584 -0.260 0.000 1.479 329 A CA -0.166 51.393 52.037 -0.797 0.000 0.748 329 A CB -0.617 17.644 19.000 -1.231 0.000 1.125 329 A HN 0.054 nan 8.150 nan 0.000 0.522 330 L N -0.352 120.729 121.223 -0.238 0.000 2.129 330 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 330 L C 2.468 179.216 176.870 -0.203 0.000 1.087 330 L CA 1.350 56.079 54.840 -0.185 0.000 0.757 330 L CB -0.611 41.279 42.059 -0.282 0.000 0.896 330 L HN 0.510 nan 8.230 nan 0.000 0.434 331 H N -1.329 117.731 119.070 -0.018 0.000 2.367 331 H HA 0.123 4.679 4.556 -0.000 0.000 0.304 331 H C 2.194 177.558 175.328 0.061 0.000 1.023 331 H CA 0.994 57.063 56.048 0.035 0.000 1.342 331 H CB -0.521 29.241 29.762 -0.000 0.000 1.486 331 H HN 0.175 nan 8.280 nan 0.000 0.596 332 G N 0.272 109.171 108.800 0.164 0.000 2.503 332 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.221 332 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.221 332 G C 1.532 176.547 174.900 0.191 0.000 1.131 332 G CA 1.118 46.313 45.100 0.158 0.000 0.756 332 G HN 0.338 nan 8.290 nan 0.000 0.572 333 F N 0.573 120.522 119.950 -0.002 0.000 2.419 333 F HA 0.268 4.795 4.527 -0.000 0.000 0.283 333 F C 2.258 178.069 175.800 0.020 0.000 1.044 333 F CA 0.707 58.710 58.000 0.005 0.000 1.376 333 F CB 0.153 39.095 39.000 -0.098 0.000 1.131 333 F HN 0.112 nan 8.300 nan 0.000 0.585 334 N N 0.018 118.853 118.700 0.225 0.000 2.422 334 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 334 N C 0.926 176.581 175.510 0.242 0.000 1.080 334 N CA 0.574 53.775 53.050 0.252 0.000 0.893 334 N CB -0.019 38.710 38.487 0.403 0.000 0.973 334 N HN 0.132 nan 8.380 nan 0.000 0.456 335 D N 1.358 121.895 120.400 0.228 0.000 2.172 335 D HA -0.177 4.462 4.640 -0.000 0.000 0.196 335 D C 1.153 177.570 176.300 0.195 0.000 0.999 335 D CA 1.138 55.293 54.000 0.258 0.000 0.856 335 D CB -0.202 40.764 40.800 0.277 0.000 0.934 335 D HN 0.250 nan 8.370 nan 0.000 0.453 336 D N 0.511 120.990 120.400 0.131 0.000 2.218 336 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 336 D C 1.382 177.336 176.300 -0.576 0.000 0.976 336 D CA 0.589 54.486 54.000 -0.172 0.000 0.853 336 D CB -0.152 40.618 40.800 -0.049 0.000 0.939 336 D HN 0.265 nan 8.370 nan 0.000 0.481 337 D N 0.181 120.499 120.400 -0.137 0.000 2.218 337 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 337 D C 2.206 178.382 176.300 -0.208 0.000 0.976 337 D CA 0.229 54.137 54.000 -0.153 0.000 0.853 337 D CB 0.278 41.111 40.800 0.054 0.000 0.939 337 D HN 0.098 nan 8.370 nan 0.000 0.481 338 V N 1.693 121.545 119.914 -0.102 0.000 2.261 338 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 338 V C 2.397 178.522 176.094 0.052 0.000 1.047 338 V CA 1.638 63.942 62.300 0.007 0.000 1.015 338 V CB -0.704 31.206 31.823 0.145 0.000 0.642 338 V HN 0.448 nan 8.190 nan 0.000 0.446 339 W N 0.511 121.848 121.300 0.062 0.000 2.678 339 W HA 0.158 4.818 4.660 -0.000 0.000 0.256 339 W C 2.100 178.643 176.519 0.039 0.000 1.280 339 W CA 0.768 58.142 57.345 0.048 0.000 1.345 339 W CB -0.882 28.604 29.460 0.043 0.000 1.118 339 W HN 0.260 nan 8.180 nan 0.000 0.629 340 A N 2.181 124.758 122.820 -0.406 0.000 1.898 340 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 340 A C 2.241 179.770 177.584 -0.091 0.000 1.181 340 A CA 1.624 53.447 52.037 -0.358 0.000 0.620 340 A CB -0.706 17.963 19.000 -0.552 0.000 0.819 340 A HN 0.298 nan 8.150 nan 0.000 0.442 341 R N -0.176 120.278 120.500 -0.077 0.000 2.066 341 R HA -0.088 4.251 4.340 -0.000 0.000 0.232 341 R C 2.028 178.367 176.300 0.065 0.000 1.131 341 R CA 1.509 57.599 56.100 -0.017 0.000 0.955 341 R CB -0.370 29.941 30.300 0.019 0.000 0.851 341 R HN 0.653 nan 8.270 nan 0.000 0.432 342 E N 0.731 120.997 120.200 0.109 0.000 2.204 342 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 342 E C 1.767 178.453 176.600 0.143 0.000 0.990 342 E CA 0.999 57.481 56.400 0.136 0.000 0.821 342 E CB -0.058 29.735 29.700 0.155 0.000 0.750 342 E HN 0.364 nan 8.360 nan 0.000 0.477 343 A N 0.813 123.732 122.820 0.164 0.000 2.168 343 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 343 A C 1.794 179.456 177.584 0.131 0.000 1.152 343 A CA 0.780 52.915 52.037 0.163 0.000 0.716 343 A CB -0.019 19.116 19.000 0.226 0.000 0.794 343 A HN 0.161 nan 8.150 nan 0.000 0.465 344 Q N -1.653 118.228 119.800 0.135 0.000 2.352 344 Q HA -0.014 4.326 4.340 -0.000 0.000 0.212 344 Q C 1.875 178.018 176.000 0.238 0.000 0.888 344 Q CA 0.418 56.346 55.803 0.210 0.000 0.934 344 Q CB 0.122 28.972 28.738 0.186 0.000 1.093 344 Q HN 0.598 nan 8.270 nan 0.000 0.523 345 Q N 2.135 122.028 119.800 0.155 0.000 2.077 345 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 345 Q C 1.751 177.828 176.000 0.128 0.000 0.989 345 Q CA 2.003 57.887 55.803 0.135 0.000 0.853 345 Q CB -0.041 28.768 28.738 0.117 0.000 0.907 345 Q HN 0.450 nan 8.270 nan 0.000 0.418 346 E N -1.361 118.914 120.200 0.125 0.000 2.051 346 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 346 E C 1.809 178.472 176.600 0.105 0.000 0.991 346 E CA 1.142 57.604 56.400 0.102 0.000 0.799 346 E CB -0.383 29.374 29.700 0.094 0.000 0.748 346 E HN 0.428 nan 8.360 nan 0.000 0.449 347 F N 0.524 120.440 119.950 -0.056 0.000 2.046 347 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 347 F C 1.903 177.534 175.800 -0.282 0.000 1.123 347 F CA 1.804 59.694 58.000 -0.183 0.000 1.199 347 F CB -0.771 38.072 39.000 -0.261 0.000 0.972 347 F HN 0.085 nan 8.300 nan 0.000 0.474 348 Y N -0.200 119.908 120.300 -0.320 0.000 2.263 348 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 348 Y C 2.662 178.378 175.900 -0.306 0.000 1.130 348 Y CA 1.332 59.051 58.100 -0.636 0.000 1.179 348 Y CB -1.000 36.991 38.460 -0.781 0.000 0.998 348 Y HN 0.150 nan 8.280 nan 0.000 0.532 349 G N -1.084 107.739 108.800 0.039 0.000 2.683 349 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.213 349 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.213 349 G C 1.212 176.145 174.900 0.055 0.000 1.142 349 G CA 0.527 45.684 45.100 0.094 0.000 0.793 349 G HN 0.400 nan 8.290 nan 0.000 0.534 350 E N -0.750 119.453 120.200 0.005 0.000 2.441 350 E HA 0.129 4.479 4.350 -0.000 0.000 0.207 350 E C 1.352 177.931 176.600 -0.035 0.000 0.803 350 E CA -0.366 56.036 56.400 0.005 0.000 1.240 350 E CB 0.461 30.176 29.700 0.024 0.000 1.233 350 E HN 0.014 nan 8.360 nan 0.000 0.590 351 R N 1.861 122.306 120.500 -0.092 0.000 2.568 351 R HA 0.066 4.406 4.340 -0.000 0.000 0.288 351 R C -0.578 175.555 176.300 -0.277 0.000 1.077 351 R CA 0.110 56.135 56.100 -0.124 0.000 1.102 351 R CB -0.337 29.944 30.300 -0.031 0.000 1.278 351 R HN 0.139 nan 8.270 nan 0.000 0.560 352 D N 0.293 120.548 120.400 -0.243 0.000 2.686 352 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 352 D C 1.206 177.181 176.300 -0.542 0.000 1.160 352 D CA 0.969 54.831 54.000 -0.229 0.000 0.645 352 D CB -0.869 39.872 40.800 -0.099 0.000 1.039 352 D HN 0.475 nan 8.370 nan 0.000 0.423 353 G N -0.867 107.260 108.800 -1.121 0.000 2.470 353 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 353 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 353 G C 1.251 175.521 174.900 -1.050 0.000 1.121 353 G CA 0.745 44.566 45.100 -2.133 0.000 0.766 353 G HN 0.577 nan 8.290 nan 0.000 0.553 354 W N 0.887 122.060 121.300 -0.212 0.000 2.465 354 W HA 0.079 4.739 4.660 -0.000 0.000 0.268 354 W C 2.635 179.219 176.519 0.108 0.000 1.242 354 W CA 0.891 58.331 57.345 0.157 0.000 1.248 354 W CB 0.185 29.774 29.460 0.215 0.000 1.118 354 W HN 0.122 nan 8.180 nan 0.000 0.587 355 S N -0.784 115.003 115.700 0.144 0.000 2.497 355 S HA 0.041 4.511 4.470 -0.000 0.000 0.218 355 S C 1.413 176.043 174.600 0.049 0.000 1.023 355 S CA 0.234 58.497 58.200 0.105 0.000 0.913 355 S CB 0.102 63.338 63.200 0.059 0.000 0.800 355 S HN 0.218 nan 8.310 nan 0.000 0.505 356 K N 1.694 122.065 120.400 -0.048 0.000 2.379 356 K HA 0.084 4.404 4.320 -0.000 0.000 0.194 356 K C 0.391 177.108 176.600 0.196 0.000 1.031 356 K CA 0.092 56.407 56.287 0.046 0.000 1.037 356 K CB 0.196 32.715 32.500 0.031 0.000 0.824 356 K HN 0.587 nan 8.250 nan 0.000 0.516 357 E N 1.769 122.081 120.200 0.186 0.000 2.418 357 E HA -0.044 4.306 4.350 -0.000 0.000 0.261 357 E C -0.658 176.057 176.600 0.191 0.000 1.070 357 E CA 0.186 56.744 56.400 0.264 0.000 0.931 357 E CB 0.376 30.257 29.700 0.302 0.000 0.954 357 E HN 0.002 nan 8.360 nan 0.000 0.439 358 Q N 2.419 122.306 119.800 0.145 0.000 2.394 358 Q HA 0.317 4.657 4.340 -0.000 0.000 0.261 358 Q C -0.697 175.384 176.000 0.134 0.000 1.023 358 Q CA -0.335 55.538 55.803 0.116 0.000 0.720 358 Q CB 1.305 30.076 28.738 0.055 0.000 1.241 358 Q HN 0.495 nan 8.270 nan 0.000 0.483 359 L N 2.318 123.658 121.223 0.194 0.000 2.468 359 L HA 0.559 4.899 4.340 -0.000 0.000 0.254 359 L C -0.103 176.963 176.870 0.326 0.000 1.171 359 L CA -0.752 54.248 54.840 0.266 0.000 0.809 359 L CB 0.183 42.384 42.059 0.237 0.000 1.155 359 L HN 0.448 nan 8.230 nan 0.000 0.473 360 F N -1.567 118.403 119.950 0.032 0.000 2.620 360 F HA 0.597 5.124 4.527 -0.000 0.000 0.320 360 F C -2.388 173.419 175.800 0.011 0.000 1.069 360 F CA -2.955 55.054 58.000 0.015 0.000 0.953 360 F CB -0.110 38.888 39.000 -0.002 0.000 1.322 360 F HN 0.138 nan 8.300 nan 0.000 0.479 361 P HA -0.227 nan 4.420 nan 0.000 0.227 361 P C -1.517 175.552 177.300 -0.385 0.000 1.141 361 P CA 3.367 66.319 63.100 -0.246 0.000 0.964 361 P CB -1.195 30.392 31.700 -0.187 0.000 0.784 362 P HA -0.163 nan 4.420 nan 0.000 0.217 362 P C 0.892 177.991 177.300 -0.334 0.000 1.148 362 P CA 1.557 64.358 63.100 -0.499 0.000 0.828 362 P CB -0.543 30.746 31.700 -0.685 0.000 0.783 363 D N -1.786 118.417 120.400 -0.327 0.000 2.378 363 D HA -0.060 4.580 4.640 -0.000 0.000 0.222 363 D C 1.671 177.917 176.300 -0.091 0.000 0.980 363 D CA 0.658 54.584 54.000 -0.123 0.000 0.907 363 D CB -0.309 40.509 40.800 0.031 0.000 0.899 363 D HN 0.114 nan 8.370 nan 0.000 0.527 364 M N 0.635 120.172 119.600 -0.104 0.000 2.202 364 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 364 M C 2.507 178.784 176.300 -0.038 0.000 1.063 364 M CA 0.776 56.044 55.300 -0.054 0.000 1.097 364 M CB -1.378 31.186 32.600 -0.059 0.000 1.382 364 M HN 0.297 nan 8.290 nan 0.000 0.413 365 C N -1.237 118.011 119.300 -0.086 0.000 2.440 365 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 365 C C 2.598 177.663 174.990 0.125 0.000 1.295 365 C CA 0.012 59.005 59.018 -0.041 0.000 1.738 365 C CB -1.522 26.000 27.740 -0.362 0.000 1.987 365 C HN 0.472 nan 8.230 nan 0.000 0.492 366 I N 1.388 121.954 120.570 -0.006 0.000 2.252 366 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 366 I C 2.811 178.937 176.117 0.015 0.000 1.102 366 I CA 1.326 62.707 61.300 0.135 0.000 1.385 366 I CB -0.353 37.664 38.000 0.028 0.000 1.064 366 I HN 0.206 nan 8.210 nan 0.000 0.414 367 V N 1.078 120.940 119.914 -0.088 0.000 2.343 367 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 367 V C 2.391 178.392 176.094 -0.155 0.000 1.051 367 V CA 1.874 64.043 62.300 -0.219 0.000 1.036 367 V CB -0.673 31.130 31.823 -0.033 0.000 0.654 367 V HN 0.404 nan 8.190 nan 0.000 0.451 368 K N -0.630 119.759 120.400 -0.017 0.000 2.097 368 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 368 K C 2.075 178.656 176.600 -0.031 0.000 1.049 368 K CA 1.854 58.141 56.287 0.000 0.000 0.933 368 K CB -0.318 32.210 32.500 0.047 0.000 0.717 368 K HN 0.749 nan 8.250 nan 0.000 0.442 369 W N 2.708 123.934 121.300 -0.124 0.000 2.355 369 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 369 W C 1.414 177.714 176.519 -0.365 0.000 1.206 369 W CA 1.174 58.396 57.345 -0.205 0.000 1.284 369 W CB -0.154 29.218 29.460 -0.147 0.000 1.145 369 W HN -0.040 nan 8.180 nan 0.000 0.502 370 R N 0.069 119.943 120.500 -1.043 0.000 2.096 370 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 370 R C 2.219 178.046 176.300 -0.789 0.000 1.127 370 R CA 2.158 57.325 56.100 -1.555 0.000 0.968 370 R CB -1.058 28.204 30.300 -1.729 0.000 0.861 370 R HN 0.147 nan 8.270 nan 0.000 0.440 371 T N 1.980 116.309 114.554 -0.374 0.000 2.777 371 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 371 T C 1.812 176.418 174.700 -0.157 0.000 1.040 371 T CA 0.965 63.025 62.100 -0.065 0.000 1.141 371 T CB -0.169 68.725 68.868 0.043 0.000 0.868 371 T HN 0.101 nan 8.240 nan 0.000 0.444 372 L N 1.427 122.502 121.223 -0.245 0.000 2.056 372 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 372 L C 2.568 179.258 176.870 -0.300 0.000 1.078 372 L CA 1.781 56.489 54.840 -0.219 0.000 0.749 372 L CB -0.928 41.030 42.059 -0.169 0.000 0.901 372 L HN 0.194 nan 8.230 nan 0.000 0.433 373 A N -1.415 121.063 122.820 -0.569 0.000 1.902 373 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 373 A C 2.519 179.951 177.584 -0.252 0.000 1.181 373 A CA 1.827 53.512 52.037 -0.587 0.000 0.623 373 A CB -1.161 17.191 19.000 -1.080 0.000 0.818 373 A HN 0.531 nan 8.150 nan 0.000 0.443 374 S N -0.940 114.703 115.700 -0.095 0.000 2.382 374 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 374 S C 1.969 176.590 174.600 0.035 0.000 1.027 374 S CA 1.610 59.881 58.200 0.117 0.000 0.991 374 S CB -0.288 63.016 63.200 0.173 0.000 0.823 374 S HN 0.568 nan 8.310 nan 0.000 0.469 375 E N 0.501 120.677 120.200 -0.040 0.000 2.060 375 E HA 0.089 4.439 4.350 -0.000 0.000 0.189 375 E C 2.176 178.746 176.600 -0.049 0.000 0.974 375 E CA 0.637 57.015 56.400 -0.036 0.000 0.808 375 E CB -0.106 29.563 29.700 -0.051 0.000 0.768 375 E HN 0.324 nan 8.360 nan 0.000 0.453 376 R N 0.376 120.820 120.500 -0.094 0.000 2.280 376 R HA 0.145 4.485 4.340 -0.000 0.000 0.195 376 R C 0.904 177.221 176.300 0.027 0.000 0.935 376 R CA 0.201 56.288 56.100 -0.022 0.000 1.033 376 R CB -0.504 29.754 30.300 -0.071 0.000 0.964 376 R HN -0.008 nan 8.270 nan 0.000 0.489 377 G N 1.212 109.816 108.800 -0.326 0.000 2.265 377 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.240 377 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.240 377 G C 0.629 175.492 174.900 -0.063 0.000 1.270 377 G CA -0.280 44.441 45.100 -0.631 0.000 0.901 377 G HN 0.238 nan 8.290 nan 0.000 0.507 378 R N 1.674 122.263 120.500 0.147 0.000 2.276 378 R HA 0.120 4.460 4.340 -0.000 0.000 0.203 378 R C 1.129 177.450 176.300 0.036 0.000 1.017 378 R CA 0.764 56.845 56.100 -0.032 0.000 1.010 378 R CB 0.273 30.346 30.300 -0.379 0.000 0.900 378 R HN 0.583 nan 8.270 nan 0.000 0.469 379 G N -0.240 108.661 108.800 0.168 0.000 2.691 379 G HA2 0.329 4.289 3.960 -0.000 0.000 0.298 379 G HA3 0.329 4.289 3.960 -0.000 0.000 0.298 379 G C -1.521 173.581 174.900 0.337 0.000 1.471 379 G CA -0.664 44.550 45.100 0.189 0.000 0.912 379 G HN -0.094 nan 8.290 nan 0.000 0.553 380 V N 1.540 121.602 119.914 0.246 0.000 2.383 380 V HA 0.557 4.677 4.120 -0.000 0.000 0.275 380 V C 0.324 176.475 176.094 0.096 0.000 1.036 380 V CA -0.675 61.753 62.300 0.213 0.000 0.889 380 V CB 1.257 33.184 31.823 0.174 0.000 0.985 380 V HN 0.692 nan 8.190 nan 0.000 0.459 381 R N 4.574 125.098 120.500 0.040 0.000 2.278 381 R HA 0.675 5.015 4.340 -0.000 0.000 0.322 381 R C 0.009 176.300 176.300 -0.014 0.000 1.058 381 R CA 0.056 56.155 56.100 -0.001 0.000 0.991 381 R CB 0.623 30.898 30.300 -0.043 0.000 1.140 381 R HN 0.834 nan 8.270 nan 0.000 0.518 382 A N 0.000 122.822 122.820 0.004 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.039 52.037 0.004 0.000 0.836 382 A CB 0.000 19.006 19.000 0.010 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486