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 1e93_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIKRGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.583 176.600 -0.028 0.000 0.988 4 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.014 0.000 1.064 5 K N 1.760 122.136 120.400 -0.040 0.000 2.183 5 K HA 0.314 4.634 4.320 -0.001 0.000 0.274 5 K C -0.284 176.266 176.600 -0.085 0.000 1.009 5 K CA -0.810 55.441 56.287 -0.060 0.000 0.888 5 K CB 1.431 33.894 32.500 -0.062 0.000 1.078 5 K HN -0.147 nan 8.250 nan 0.000 0.459 6 L N 2.648 123.801 121.223 -0.117 0.000 2.513 6 L HA 0.066 4.406 4.340 -0.001 0.000 0.272 6 L C -0.580 176.141 176.870 -0.249 0.000 1.187 6 L CA 1.361 56.093 54.840 -0.180 0.000 0.895 6 L CB 0.349 42.268 42.059 -0.233 0.000 1.147 6 L HN 0.594 nan 8.230 nan 0.000 0.483 7 T N 2.845 117.258 114.554 -0.234 0.000 2.903 7 T HA 0.490 4.839 4.350 -0.001 0.000 0.299 7 T C -0.241 174.337 174.700 -0.205 0.000 1.093 7 T CA -0.229 61.742 62.100 -0.214 0.000 1.002 7 T CB 1.506 70.309 68.868 -0.109 0.000 1.127 7 T HN 0.779 nan 8.240 nan 0.000 0.488 8 T N -0.280 114.182 114.554 -0.153 0.000 2.788 8 T HA 0.498 4.847 4.350 -0.001 0.000 0.287 8 T C 1.745 176.476 174.700 0.051 0.000 1.007 8 T CA -0.162 61.958 62.100 0.033 0.000 1.005 8 T CB 0.552 69.475 68.868 0.092 0.000 1.012 8 T HN 0.641 nan 8.240 nan 0.000 0.530 9 A N 0.701 123.573 122.820 0.087 0.000 2.019 9 A HA 0.244 4.563 4.320 -0.001 0.000 0.219 9 A C 2.403 180.015 177.584 0.047 0.000 1.164 9 A CA 1.399 53.461 52.037 0.042 0.000 0.644 9 A CB -1.270 17.754 19.000 0.040 0.000 0.805 9 A HN 1.240 nan 8.150 nan 0.000 0.449 10 A N -2.071 120.782 122.820 0.055 0.000 2.251 10 A HA 0.437 4.757 4.320 -0.001 0.000 0.209 10 A C 1.671 179.267 177.584 0.019 0.000 1.187 10 A CA 1.104 53.165 52.037 0.040 0.000 0.823 10 A CB -0.710 18.319 19.000 0.048 0.000 0.846 10 A HN 1.798 nan 8.150 nan 0.000 0.486 11 G N -2.146 106.658 108.800 0.007 0.000 2.176 11 G HA2 0.123 4.083 3.960 -0.001 0.000 0.232 11 G HA3 0.123 4.083 3.960 -0.001 0.000 0.232 11 G C 0.357 175.241 174.900 -0.027 0.000 0.986 11 G CA 0.163 45.256 45.100 -0.012 0.000 0.643 11 G HN 1.535 nan 8.290 nan 0.000 0.522 12 A N 1.100 123.903 122.820 -0.028 0.000 2.316 12 A HA 0.807 5.127 4.320 -0.001 0.000 0.284 12 A C -1.577 175.949 177.584 -0.097 0.000 1.115 12 A CA -1.186 50.824 52.037 -0.045 0.000 0.812 12 A CB 0.861 19.849 19.000 -0.021 0.000 1.064 12 A HN 0.198 nan 8.150 nan 0.000 0.489 13 P HA 0.181 nan 4.420 nan 0.000 0.271 13 P C -0.655 176.515 177.300 -0.218 0.000 1.218 13 P CA 0.048 63.059 63.100 -0.149 0.000 0.780 13 P CB 0.804 32.442 31.700 -0.105 0.000 0.901 14 V N 4.516 124.226 119.914 -0.340 0.000 2.364 14 V HA 0.015 4.134 4.120 -0.001 0.000 0.272 14 V C 1.767 177.676 176.094 -0.308 0.000 1.036 14 V CA -0.150 61.851 62.300 -0.498 0.000 0.880 14 V CB 1.172 32.383 31.823 -1.021 0.000 0.991 14 V HN 0.354 nan 8.190 nan 0.000 0.460 15 V N 2.671 122.466 119.914 -0.197 0.000 2.270 15 V HA -0.030 4.089 4.120 -0.001 0.000 0.245 15 V C 0.804 176.847 176.094 -0.086 0.000 1.043 15 V CA 1.690 63.925 62.300 -0.108 0.000 1.014 15 V CB -0.066 31.726 31.823 -0.053 0.000 0.645 15 V HN 0.926 nan 8.190 nan 0.000 0.447 16 D N -1.006 119.359 120.400 -0.058 0.000 2.620 16 D HA 0.220 4.860 4.640 -0.001 0.000 0.252 16 D C -0.287 176.061 176.300 0.080 0.000 1.207 16 D CA -0.321 53.683 54.000 0.007 0.000 0.884 16 D CB 1.305 42.129 40.800 0.041 0.000 1.262 16 D HN 0.081 nan 8.370 nan 0.000 0.552 17 N N 2.889 121.636 118.700 0.079 0.000 2.203 17 N HA 0.151 4.891 4.740 -0.001 0.000 0.207 17 N C 0.071 175.695 175.510 0.191 0.000 1.130 17 N CA 0.101 53.292 53.050 0.236 0.000 0.861 17 N CB 0.311 38.892 38.487 0.157 0.000 1.005 17 N HN 0.276 nan 8.380 nan 0.000 0.507 18 N N -0.948 117.825 118.700 0.121 0.000 2.168 18 N HA 0.140 4.879 4.740 -0.001 0.000 0.216 18 N C -0.982 174.569 175.510 0.067 0.000 1.259 18 N CA 0.064 53.163 53.050 0.082 0.000 0.902 18 N CB 0.565 39.081 38.487 0.049 0.000 1.079 18 N HN 0.118 nan 8.380 nan 0.000 0.507 19 N N 1.406 120.151 118.700 0.075 0.000 2.371 19 N HA 0.194 4.934 4.740 -0.001 0.000 0.291 19 N C -0.114 175.434 175.510 0.063 0.000 1.053 19 N CA -0.283 52.797 53.050 0.050 0.000 0.870 19 N CB 3.180 41.685 38.487 0.030 0.000 1.503 19 N HN -0.181 nan 8.380 nan 0.000 0.485 20 V N -0.252 119.679 119.914 0.028 0.000 3.264 20 V HA 0.502 4.621 4.120 -0.001 0.000 0.304 20 V C 0.746 176.833 176.094 -0.012 0.000 1.086 20 V CA -0.660 61.641 62.300 0.002 0.000 1.090 20 V CB 0.503 32.243 31.823 -0.138 0.000 1.112 20 V HN 0.447 nan 8.190 nan 0.000 0.472 21 I N 2.608 123.170 120.570 -0.015 0.000 2.371 21 I HA 0.466 4.636 4.170 -0.001 0.000 0.290 21 I C 0.524 176.615 176.117 -0.044 0.000 1.028 21 I CA 0.204 61.498 61.300 -0.011 0.000 1.345 21 I CB 1.153 39.160 38.000 0.012 0.000 1.407 21 I HN 1.018 nan 8.210 nan 0.000 0.501 22 T N 2.170 116.704 114.554 -0.033 0.000 2.906 22 T HA 0.664 5.014 4.350 -0.001 0.000 0.295 22 T C -0.280 174.405 174.700 -0.025 0.000 1.075 22 T CA -1.025 61.050 62.100 -0.041 0.000 1.005 22 T CB 1.908 70.749 68.868 -0.044 0.000 1.136 22 T HN 0.572 nan 8.240 nan 0.000 0.498 23 A N 1.308 124.113 122.820 -0.025 0.000 2.915 23 A HA 0.686 5.005 4.320 -0.001 0.000 0.292 23 A C 1.198 178.772 177.584 -0.015 0.000 1.632 23 A CA 0.245 52.272 52.037 -0.017 0.000 1.337 23 A CB -1.632 17.358 19.000 -0.017 0.000 1.111 23 A HN 2.191 nan 8.150 nan 0.000 0.569 24 G N 3.065 111.857 108.800 -0.013 0.000 2.699 24 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.686 24 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.686 24 G C -1.232 173.660 174.900 -0.013 0.000 1.301 24 G CA -0.303 44.790 45.100 -0.011 0.000 0.816 24 G HN 0.405 nan 8.290 nan 0.000 0.595 25 P HA -0.132 nan 4.420 nan 0.000 0.216 25 P C 1.079 178.370 177.300 -0.015 0.000 1.150 25 P CA 1.405 64.498 63.100 -0.011 0.000 0.843 25 P CB 0.108 31.803 31.700 -0.008 0.000 0.787 26 R N -0.266 120.226 120.500 -0.014 0.000 2.652 26 R HA 0.357 4.696 4.340 -0.001 0.000 0.372 26 R C 0.949 177.237 176.300 -0.019 0.000 1.104 26 R CA -0.256 55.834 56.100 -0.016 0.000 1.072 26 R CB 0.832 31.124 30.300 -0.013 0.000 1.367 26 R HN 0.150 nan 8.270 nan 0.000 0.577 27 G N 1.611 110.398 108.800 -0.022 0.000 2.511 27 G HA2 0.410 4.369 3.960 -0.001 0.000 0.316 27 G HA3 0.410 4.369 3.960 -0.001 0.000 0.316 27 G C -2.366 172.513 174.900 -0.034 0.000 1.210 27 G CA -1.115 43.970 45.100 -0.024 0.000 0.969 27 G HN -0.099 nan 8.290 nan 0.000 0.492 28 P HA 0.153 nan 4.420 nan 0.000 0.274 28 P C -0.099 177.164 177.300 -0.062 0.000 1.246 28 P CA -0.205 62.866 63.100 -0.047 0.000 0.795 28 P CB 0.865 32.543 31.700 -0.036 0.000 1.006 29 M N 0.854 120.399 119.600 -0.092 0.000 2.243 29 M HA 0.168 4.648 4.480 -0.001 0.000 0.341 29 M C 0.375 176.624 176.300 -0.086 0.000 1.130 29 M CA 0.042 55.268 55.300 -0.125 0.000 1.162 29 M CB 0.052 32.514 32.600 -0.230 0.000 1.497 29 M HN 0.182 nan 8.290 nan 0.000 0.456 30 L N 2.902 124.083 121.223 -0.069 0.000 2.307 30 L HA 0.149 4.488 4.340 -0.001 0.000 0.282 30 L C 1.018 177.877 176.870 -0.018 0.000 1.051 30 L CA -0.515 54.306 54.840 -0.031 0.000 0.804 30 L CB 1.264 43.316 42.059 -0.012 0.000 1.197 30 L HN 0.733 nan 8.230 nan 0.000 0.431 31 L N 3.112 124.338 121.223 0.006 0.000 2.191 31 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 31 L C 2.414 179.321 176.870 0.061 0.000 1.103 31 L CA 1.663 56.525 54.840 0.037 0.000 0.769 31 L CB -0.517 41.564 42.059 0.036 0.000 0.908 31 L HN 0.811 nan 8.230 nan 0.000 0.438 32 Q N -1.224 118.605 119.800 0.048 0.000 2.541 32 Q HA -0.152 4.188 4.340 -0.001 0.000 0.215 32 Q C 0.154 176.206 176.000 0.087 0.000 0.977 32 Q CA 0.570 56.409 55.803 0.061 0.000 0.934 32 Q CB -0.707 28.058 28.738 0.045 0.000 0.988 32 Q HN 0.408 nan 8.270 nan 0.000 0.521 33 D N 1.948 122.409 120.400 0.101 0.000 2.498 33 D HA 0.003 4.642 4.640 -0.001 0.000 0.229 33 D C 1.262 177.689 176.300 0.212 0.000 1.188 33 D CA -0.139 53.952 54.000 0.151 0.000 1.028 33 D CB 1.059 41.936 40.800 0.128 0.000 1.087 33 D HN 0.219 nan 8.370 nan 0.000 0.510 34 V N 2.241 122.266 119.914 0.185 0.000 2.626 34 V HA -0.098 4.021 4.120 -0.001 0.000 0.252 34 V C 2.064 178.294 176.094 0.228 0.000 1.067 34 V CA 0.744 63.150 62.300 0.178 0.000 1.081 34 V CB -0.959 30.951 31.823 0.146 0.000 0.686 34 V HN 0.599 nan 8.190 nan 0.000 0.468 35 W N 0.423 121.774 121.300 0.085 0.000 2.409 35 W HA -0.182 4.477 4.660 -0.001 0.000 0.299 35 W C 2.286 178.846 176.519 0.070 0.000 1.203 35 W CA 1.283 58.664 57.345 0.060 0.000 1.298 35 W CB -0.276 29.215 29.460 0.052 0.000 1.127 35 W HN 0.389 nan 8.180 nan 0.000 0.528 36 F N 1.862 121.731 119.950 -0.134 0.000 2.095 36 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 36 F C 2.230 177.895 175.800 -0.225 0.000 1.104 36 F CA 2.362 60.216 58.000 -0.243 0.000 1.232 36 F CB -0.925 38.025 39.000 -0.083 0.000 0.987 36 F HN -0.227 nan 8.300 nan 0.000 0.475 37 L N 0.175 121.292 121.223 -0.178 0.000 2.017 37 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 37 L C 2.607 179.314 176.870 -0.271 0.000 1.073 37 L CA 2.070 56.778 54.840 -0.220 0.000 0.745 37 L CB -0.980 41.091 42.059 0.021 0.000 0.894 37 L HN 0.291 nan 8.230 nan 0.000 0.432 38 E N 0.683 120.765 120.200 -0.196 0.000 2.031 38 E HA -0.290 4.060 4.350 -0.001 0.000 0.193 38 E C 2.269 178.702 176.600 -0.278 0.000 0.994 38 E CA 1.460 57.787 56.400 -0.121 0.000 0.800 38 E CB 0.044 29.745 29.700 0.001 0.000 0.752 38 E HN 0.278 nan 8.360 nan 0.000 0.447 39 K N 0.102 120.044 120.400 -0.763 0.000 2.032 39 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 39 K C 2.198 178.542 176.600 -0.427 0.000 1.048 39 K CA 1.154 56.946 56.287 -0.824 0.000 0.927 39 K CB -0.028 31.690 32.500 -1.302 0.000 0.712 39 K HN 0.184 nan 8.250 nan 0.000 0.441 40 L N 0.600 121.503 121.223 -0.535 0.000 2.156 40 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 40 L C 2.527 179.321 176.870 -0.127 0.000 1.095 40 L CA 1.641 56.276 54.840 -0.343 0.000 0.770 40 L CB -1.308 40.352 42.059 -0.664 0.000 0.914 40 L HN 0.294 nan 8.230 nan 0.000 0.439 41 A N -1.176 121.540 122.820 -0.174 0.000 1.902 41 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 41 A C 2.122 179.636 177.584 -0.118 0.000 1.181 41 A CA 1.188 53.148 52.037 -0.128 0.000 0.623 41 A CB -0.679 18.240 19.000 -0.134 0.000 0.818 41 A HN 0.451 nan 8.150 nan 0.000 0.443 42 H N -2.454 116.548 119.070 -0.113 0.000 2.395 42 H HA -0.096 4.459 4.556 -0.001 0.000 0.299 42 H C 1.996 177.284 175.328 -0.068 0.000 1.070 42 H CA 1.701 57.699 56.048 -0.084 0.000 1.356 42 H CB -0.298 29.420 29.762 -0.073 0.000 1.401 42 H HN 0.609 nan 8.280 nan 0.000 0.524 43 F N 2.653 122.569 119.950 -0.057 0.000 2.095 43 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 43 F C 1.697 177.440 175.800 -0.096 0.000 1.104 43 F CA 1.379 59.323 58.000 -0.093 0.000 1.232 43 F CB -0.272 38.650 39.000 -0.130 0.000 0.987 43 F HN -0.037 nan 8.300 nan 0.000 0.475 44 D N 0.218 120.449 120.400 -0.282 0.000 2.351 44 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 44 D C 1.449 177.571 176.300 -0.296 0.000 0.968 44 D CA 0.934 54.724 54.000 -0.350 0.000 0.899 44 D CB -0.251 40.458 40.800 -0.151 0.000 0.907 44 D HN 0.439 nan 8.370 nan 0.000 0.514 45 R N 0.055 120.407 120.500 -0.248 0.000 2.629 45 R HA 0.187 4.527 4.340 -0.001 0.000 0.386 45 R C 1.094 177.280 176.300 -0.191 0.000 1.071 45 R CA -0.107 55.876 56.100 -0.196 0.000 1.104 45 R CB 0.580 30.778 30.300 -0.171 0.000 1.370 45 R HN 0.130 nan 8.270 nan 0.000 0.574 46 E N 0.538 120.589 120.200 -0.249 0.000 2.150 46 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 46 E C 0.284 176.728 176.600 -0.260 0.000 0.985 46 E CA 0.767 57.008 56.400 -0.265 0.000 0.814 46 E CB 0.344 29.881 29.700 -0.270 0.000 0.752 46 E HN -0.001 nan 8.360 nan 0.000 0.466 47 V N 3.009 122.814 119.914 -0.181 0.000 2.546 47 V HA 0.210 4.329 4.120 -0.001 0.000 0.284 47 V C 0.313 176.397 176.094 -0.017 0.000 1.050 47 V CA -0.348 61.904 62.300 -0.080 0.000 0.981 47 V CB 0.839 32.614 31.823 -0.080 0.000 0.990 47 V HN 0.121 nan 8.190 nan 0.000 0.474 48 I N 2.400 123.015 120.570 0.075 0.000 2.957 48 I HA 0.739 4.909 4.170 -0.001 0.000 0.310 48 I C -2.698 173.439 176.117 0.033 0.000 1.063 48 I CA -2.909 58.422 61.300 0.051 0.000 1.033 48 I CB 1.952 40.017 38.000 0.108 0.000 1.230 48 I HN 0.349 nan 8.210 nan 0.000 0.447 49 P HA 0.086 nan 4.420 nan 0.000 0.265 49 P C -0.992 176.338 177.300 0.050 0.000 1.193 49 P CA -0.035 63.075 63.100 0.016 0.000 0.765 49 P CB 0.421 32.111 31.700 -0.017 0.000 0.823 50 E N 2.778 123.024 120.200 0.076 0.000 2.371 50 E HA 0.214 4.564 4.350 -0.001 0.000 0.257 50 E C -0.428 176.228 176.600 0.093 0.000 1.134 50 E CA -0.852 55.601 56.400 0.088 0.000 0.919 50 E CB 0.590 30.347 29.700 0.095 0.000 1.025 50 E HN 0.255 nan 8.360 nan 0.000 0.438 51 R N 0.852 121.410 120.500 0.097 0.000 2.623 51 R HA 0.056 4.395 4.340 -0.001 0.000 0.271 51 R C 0.446 176.811 176.300 0.109 0.000 1.043 51 R CA -0.351 55.810 56.100 0.101 0.000 1.083 51 R CB 0.322 30.692 30.300 0.117 0.000 0.974 51 R HN 0.449 nan 8.270 nan 0.000 0.436 55 A N 0.796 123.725 122.820 0.181 0.000 1.969 55 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 55 A C 1.407 179.089 177.584 0.164 0.000 1.169 55 A CA 1.194 53.323 52.037 0.153 0.000 0.635 55 A CB 0.043 19.116 19.000 0.122 0.000 0.810 55 A HN 0.106 nan 8.150 nan 0.000 0.445 56 K N 0.093 120.594 120.400 0.167 0.000 2.248 56 K HA 0.532 4.851 4.320 -0.001 0.000 0.281 56 K C -0.054 176.683 176.600 0.228 0.000 1.054 56 K CA 0.648 57.048 56.287 0.188 0.000 0.903 56 K CB 0.766 33.366 32.500 0.166 0.000 1.077 56 K HN 0.320 nan 8.250 nan 0.000 0.474 57 G N 0.818 109.772 108.800 0.258 0.000 2.608 57 G HA2 0.552 4.511 3.960 -0.001 0.000 0.291 57 G HA3 0.552 4.511 3.960 -0.001 0.000 0.291 57 G C -1.504 173.577 174.900 0.301 0.000 1.425 57 G CA -0.728 44.504 45.100 0.220 0.000 0.787 57 G HN 0.482 nan 8.290 nan 0.000 0.484 58 S N -1.642 114.152 115.700 0.156 0.000 2.546 58 S HA 0.885 5.354 4.470 -0.001 0.000 0.274 58 S C -0.017 174.529 174.600 -0.090 0.000 1.121 58 S CA -0.154 58.186 58.200 0.234 0.000 0.887 58 S CB 1.961 65.416 63.200 0.425 0.000 1.094 58 S HN 1.383 nan 8.310 nan 0.000 0.474 59 G N 0.259 109.013 108.800 -0.078 0.000 2.680 59 G HA2 0.900 4.860 3.960 -0.001 0.000 0.290 59 G HA3 0.900 4.860 3.960 -0.001 0.000 0.290 59 G C -1.519 173.192 174.900 -0.315 0.000 1.355 59 G CA -0.569 44.260 45.100 -0.453 0.000 0.903 59 G HN 1.093 nan 8.290 nan 0.000 0.474 60 A N -0.751 121.669 122.820 -0.666 0.000 2.599 60 A HA 0.707 5.026 4.320 -0.001 0.000 0.294 60 A C -1.754 175.570 177.584 -0.433 0.000 1.055 60 A CA -0.736 51.122 52.037 -0.298 0.000 0.683 60 A CB 0.731 19.668 19.000 -0.104 0.000 1.278 60 A HN 0.628 nan 8.150 nan 0.000 0.412 61 F N 0.594 120.581 119.950 0.061 0.000 2.377 61 F HA 0.711 5.237 4.527 -0.001 0.000 0.328 61 F C 1.205 177.011 175.800 0.011 0.000 1.094 61 F CA 1.142 59.208 58.000 0.110 0.000 1.093 61 F CB 2.191 41.281 39.000 0.148 0.000 1.214 61 F HN 0.944 nan 8.300 nan 0.000 0.518 62 G N 0.025 108.958 108.800 0.222 0.000 2.731 62 G HA2 0.624 4.583 3.960 -0.001 0.000 0.309 62 G HA3 0.624 4.583 3.960 -0.001 0.000 0.309 62 G C -1.683 173.345 174.900 0.213 0.000 1.273 62 G CA -0.738 44.468 45.100 0.176 0.000 0.798 62 G HN 0.501 nan 8.290 nan 0.000 0.509 63 T N 0.151 114.864 114.554 0.265 0.000 2.952 63 T HA 0.507 4.856 4.350 -0.001 0.000 0.305 63 T C -1.754 173.177 174.700 0.385 0.000 1.064 63 T CA -0.234 62.035 62.100 0.281 0.000 1.008 63 T CB 1.863 70.848 68.868 0.194 0.000 1.078 63 T HN 0.520 nan 8.240 nan 0.000 0.459 64 F N 2.529 122.639 119.950 0.267 0.000 2.436 64 F HA 0.640 5.166 4.527 -0.001 0.000 0.340 64 F C -0.221 175.617 175.800 0.063 0.000 1.113 64 F CA -0.198 57.972 58.000 0.282 0.000 1.022 64 F CB 1.293 40.560 39.000 0.445 0.000 1.128 64 F HN 0.443 nan 8.300 nan 0.000 0.466 65 T N 5.786 119.762 114.554 -0.964 0.000 2.812 65 T HA 0.416 4.766 4.350 -0.001 0.000 0.282 65 T C -0.804 173.359 174.700 -0.895 0.000 0.990 65 T CA -0.584 61.048 62.100 -0.780 0.000 0.960 65 T CB 1.484 69.863 68.868 -0.816 0.000 0.948 65 T HN 0.358 nan 8.240 nan 0.000 0.438 66 V N 4.052 123.768 119.914 -0.329 0.000 2.508 66 V HA 0.241 4.360 4.120 -0.001 0.000 0.281 66 V C 1.604 177.671 176.094 -0.045 0.000 1.041 66 V CA 0.163 62.431 62.300 -0.053 0.000 1.016 66 V CB 0.913 32.845 31.823 0.182 0.000 0.984 66 V HN 1.183 nan 8.190 nan 0.000 0.478 67 T N 0.564 115.142 114.554 0.040 0.000 2.969 67 T HA 0.238 4.588 4.350 -0.001 0.000 0.250 67 T C 0.418 175.013 174.700 -0.175 0.000 1.021 67 T CA 0.156 62.263 62.100 0.012 0.000 1.003 67 T CB 0.103 69.074 68.868 0.173 0.000 1.040 67 T HN 0.648 nan 8.240 nan 0.000 0.492 68 H N 0.423 119.534 119.070 0.069 0.000 2.865 68 H HA 0.626 5.182 4.556 -0.001 0.000 0.372 68 H C -1.411 173.945 175.328 0.047 0.000 1.173 68 H CA -0.955 55.126 56.048 0.055 0.000 1.147 68 H CB 1.444 31.238 29.762 0.054 0.000 1.805 68 H HN 0.002 nan 8.280 nan 0.000 0.553 69 D N 2.254 122.735 120.400 0.135 0.000 2.347 69 D HA 0.100 4.740 4.640 -0.001 0.000 0.235 69 D C 0.373 176.693 176.300 0.033 0.000 1.149 69 D CA -0.226 53.812 54.000 0.064 0.000 0.850 69 D CB 0.416 41.229 40.800 0.022 0.000 1.061 69 D HN 0.641 nan 8.370 nan 0.000 0.487 70 I N 0.967 121.540 120.570 0.004 0.000 3.856 70 I HA 0.153 4.323 4.170 -0.001 0.000 0.330 70 I C 1.434 177.481 176.117 -0.117 0.000 1.546 70 I CA -0.470 60.815 61.300 -0.025 0.000 1.132 70 I CB 0.251 38.265 38.000 0.023 0.000 1.157 70 I HN 0.111 nan 8.210 nan 0.000 0.440 71 T N -0.786 113.703 114.554 -0.107 0.000 2.977 71 T HA -0.169 4.181 4.350 -0.001 0.000 0.271 71 T C 1.675 176.272 174.700 -0.172 0.000 1.105 71 T CA 1.570 63.605 62.100 -0.108 0.000 1.116 71 T CB -0.431 68.403 68.868 -0.057 0.000 0.878 71 T HN 0.722 nan 8.240 nan 0.000 0.509 72 K N -0.158 120.055 120.400 -0.312 0.000 2.283 72 K HA -0.087 4.232 4.320 -0.001 0.000 0.202 72 K C 1.294 177.598 176.600 -0.494 0.000 1.048 72 K CA 1.109 57.144 56.287 -0.419 0.000 0.948 72 K CB -0.393 31.743 32.500 -0.607 0.000 0.742 72 K HN 0.433 nan 8.250 nan 0.000 0.458 73 Y N 0.670 120.789 120.300 -0.303 0.000 2.558 73 Y HA 0.214 4.763 4.550 -0.001 0.000 0.273 73 Y C 0.749 176.546 175.900 -0.171 0.000 1.100 73 Y CA 0.034 57.845 58.100 -0.481 0.000 1.276 73 Y CB 0.751 38.946 38.460 -0.442 0.000 1.196 73 Y HN 0.020 nan 8.280 nan 0.000 0.527 74 T N 0.399 114.864 114.554 -0.148 0.000 2.933 74 T HA 0.351 4.701 4.350 -0.001 0.000 0.305 74 T C 0.303 174.916 174.700 -0.144 0.000 1.092 74 T CA -0.849 61.094 62.100 -0.261 0.000 1.008 74 T CB 1.217 69.532 68.868 -0.922 0.000 1.102 74 T HN 0.361 nan 8.240 nan 0.000 0.469 75 R N 2.638 123.091 120.500 -0.078 0.000 2.317 75 R HA 0.555 4.895 4.340 -0.001 0.000 0.208 75 R C 0.828 177.100 176.300 -0.047 0.000 0.914 75 R CA -0.126 55.953 56.100 -0.036 0.000 1.060 75 R CB -0.152 30.150 30.300 0.003 0.000 1.015 75 R HN 0.502 nan 8.270 nan 0.000 0.498 76 A N 2.383 125.136 122.820 -0.112 0.000 2.561 76 A HA 0.010 4.329 4.320 -0.001 0.000 0.251 76 A C 0.707 178.187 177.584 -0.173 0.000 1.062 76 A CA -0.159 51.764 52.037 -0.189 0.000 0.761 76 A CB 0.351 19.142 19.000 -0.348 0.000 0.986 76 A HN 0.203 nan 8.150 nan 0.000 0.510 77 K N 2.525 122.838 120.400 -0.146 0.000 2.152 77 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 77 K C 1.632 178.141 176.600 -0.152 0.000 1.048 77 K CA 1.551 57.780 56.287 -0.097 0.000 0.933 77 K CB -0.426 32.045 32.500 -0.047 0.000 0.721 77 K HN 0.886 nan 8.250 nan 0.000 0.447 78 I N -0.013 120.350 120.570 -0.344 0.000 2.361 78 I HA -0.242 3.928 4.170 -0.001 0.000 0.251 78 I C 0.718 176.632 176.117 -0.338 0.000 1.133 78 I CA 1.330 62.368 61.300 -0.436 0.000 1.413 78 I CB 0.099 37.623 38.000 -0.794 0.000 1.073 78 I HN -0.064 nan 8.210 nan 0.000 0.424 79 F N 0.196 120.114 119.950 -0.052 0.000 2.653 79 F HA 0.160 4.686 4.527 -0.001 0.000 0.304 79 F C 2.483 178.274 175.800 -0.014 0.000 1.092 79 F CA 0.361 58.359 58.000 -0.003 0.000 1.279 79 F CB -0.848 38.100 39.000 -0.086 0.000 1.044 79 F HN 0.074 nan 8.300 nan 0.000 0.564 80 S N -0.463 115.295 115.700 0.097 0.000 2.420 80 S HA -0.144 4.326 4.470 -0.001 0.000 0.237 80 S C 0.513 175.148 174.600 0.058 0.000 1.023 80 S CA 1.038 59.272 58.200 0.057 0.000 0.991 80 S CB -0.322 62.892 63.200 0.023 0.000 0.792 80 S HN 0.487 nan 8.310 nan 0.000 0.488 81 E N -0.208 120.037 120.200 0.075 0.000 2.331 81 E HA 0.500 4.850 4.350 -0.001 0.000 0.275 81 E C -1.563 175.078 176.600 0.068 0.000 0.895 81 E CA -0.855 55.579 56.400 0.057 0.000 0.753 81 E CB 2.593 32.317 29.700 0.040 0.000 1.216 81 E HN 0.002 nan 8.360 nan 0.000 0.434 82 V N 1.896 121.836 119.914 0.044 0.000 2.585 82 V HA 0.279 4.398 4.120 -0.001 0.000 0.296 82 V C 1.321 177.427 176.094 0.019 0.000 1.035 82 V CA 1.728 64.045 62.300 0.028 0.000 1.084 82 V CB 0.649 32.468 31.823 -0.006 0.000 0.953 82 V HN 1.092 nan 8.190 nan 0.000 0.483 83 G N 3.801 112.607 108.800 0.009 0.000 2.217 83 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.246 83 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.246 83 G C 0.442 175.350 174.900 0.013 0.000 0.990 83 G CA 0.309 45.411 45.100 0.004 0.000 0.627 83 G HN 0.735 nan 8.290 nan 0.000 0.522 84 K N 1.482 121.904 120.400 0.038 0.000 2.447 84 K HA 0.358 4.678 4.320 -0.001 0.000 0.281 84 K C 0.204 176.846 176.600 0.069 0.000 1.031 84 K CA 0.225 56.548 56.287 0.060 0.000 1.019 84 K CB 0.151 32.700 32.500 0.080 0.000 0.918 84 K HN 0.288 nan 8.250 nan 0.000 0.476 85 K N 2.651 123.096 120.400 0.074 0.000 2.159 85 K HA 0.275 4.594 4.320 -0.001 0.000 0.266 85 K C -0.967 175.729 176.600 0.159 0.000 0.975 85 K CA -0.675 55.671 56.287 0.099 0.000 0.865 85 K CB 2.041 34.585 32.500 0.074 0.000 1.087 85 K HN 0.485 nan 8.250 nan 0.000 0.446 86 T N 2.110 116.813 114.554 0.249 0.000 2.881 86 T HA 0.155 4.504 4.350 -0.001 0.000 0.291 86 T C -0.720 174.169 174.700 0.315 0.000 0.990 86 T CA -0.883 61.378 62.100 0.269 0.000 0.976 86 T CB 1.383 70.420 68.868 0.282 0.000 0.970 86 T HN 0.347 nan 8.240 nan 0.000 0.438 87 E N 2.915 123.281 120.200 0.277 0.000 2.398 87 E HA 0.447 4.796 4.350 -0.001 0.000 0.263 87 E C 0.057 176.873 176.600 0.359 0.000 1.046 87 E CA -0.042 56.544 56.400 0.311 0.000 0.908 87 E CB 0.765 30.629 29.700 0.274 0.000 0.963 87 E HN 0.651 nan 8.360 nan 0.000 0.431 88 M N 0.660 120.416 119.600 0.261 0.000 2.924 88 M HA 0.665 5.144 4.480 -0.001 0.000 0.271 88 M C -1.374 174.932 176.300 0.010 0.000 1.280 88 M CA -1.021 54.213 55.300 -0.110 0.000 0.813 88 M CB 1.482 33.772 32.600 -0.517 0.000 1.658 88 M HN 0.259 nan 8.290 nan 0.000 0.467 89 F N 0.227 119.845 119.950 -0.553 0.000 2.591 89 F HA 0.934 5.460 4.527 -0.001 0.000 0.309 89 F C -1.945 173.425 175.800 -0.716 0.000 1.098 89 F CA -0.540 57.109 58.000 -0.584 0.000 0.937 89 F CB 1.871 40.520 39.000 -0.584 0.000 1.250 89 F HN 1.121 nan 8.300 nan 0.000 0.447 90 A N 5.279 127.102 122.820 -1.662 0.000 2.414 90 A HA 0.847 5.166 4.320 -0.001 0.000 0.306 90 A C -1.518 174.940 177.584 -1.877 0.000 1.054 90 A CA -0.871 50.183 52.037 -1.638 0.000 0.724 90 A CB 1.759 19.773 19.000 -1.644 0.000 1.267 90 A HN 0.872 nan 8.150 nan 0.000 0.418 91 R N 1.930 121.512 120.500 -1.530 0.000 2.483 91 R HA 0.612 4.952 4.340 -0.001 0.000 0.303 91 R C -1.898 173.732 176.300 -1.116 0.000 0.987 91 R CA -0.370 55.059 56.100 -1.119 0.000 0.881 91 R CB 0.711 30.696 30.300 -0.525 0.000 1.177 91 R HN 0.546 nan 8.270 nan 0.000 0.451 92 F N 1.588 121.077 119.950 -0.768 0.000 2.432 92 F HA 0.610 5.136 4.527 -0.001 0.000 0.329 92 F C 0.502 175.800 175.800 -0.838 0.000 1.076 92 F CA -0.379 57.055 58.000 -0.944 0.000 1.018 92 F CB 2.106 40.275 39.000 -1.386 0.000 1.201 92 F HN 0.638 nan 8.300 nan 0.000 0.489 93 S N -1.386 114.139 115.700 -0.291 0.000 2.636 93 S HA 0.667 5.136 4.470 -0.001 0.000 0.268 93 S C -0.629 174.163 174.600 0.319 0.000 1.159 93 S CA -0.742 57.512 58.200 0.090 0.000 0.815 93 S CB 1.312 64.618 63.200 0.175 0.000 1.130 93 S HN 0.729 nan 8.310 nan 0.000 0.471 94 T N -1.586 113.141 114.554 0.289 0.000 2.902 94 T HA 0.745 5.095 4.350 -0.001 0.000 0.287 94 T C 0.776 175.466 174.700 -0.017 0.000 1.048 94 T CA -0.051 62.163 62.100 0.191 0.000 0.941 94 T CB 0.413 69.384 68.868 0.170 0.000 1.432 94 T HN 0.692 nan 8.240 nan 0.000 0.586 95 V N -0.351 119.509 119.914 -0.089 0.000 3.054 95 V HA 0.338 4.457 4.120 -0.001 0.000 0.227 95 V C 2.811 178.853 176.094 -0.087 0.000 1.252 95 V CA 0.683 62.810 62.300 -0.289 0.000 1.279 95 V CB -0.908 30.797 31.823 -0.197 0.000 1.118 95 V HN 1.001 nan 8.190 nan 0.000 0.504 96 A N 0.725 123.538 122.820 -0.012 0.000 1.897 96 A HA 0.245 4.565 4.320 -0.001 0.000 0.215 96 A C 1.627 179.228 177.584 0.029 0.000 1.181 96 A CA 1.185 53.227 52.037 0.008 0.000 0.620 96 A CB -1.051 17.958 19.000 0.015 0.000 0.821 96 A HN 0.591 nan 8.150 nan 0.000 0.443 97 G N 0.310 109.138 108.800 0.046 0.000 2.432 97 G HA2 0.395 4.354 3.960 -0.001 0.000 0.239 97 G HA3 0.395 4.354 3.960 -0.001 0.000 0.239 97 G C -0.214 174.726 174.900 0.067 0.000 1.291 97 G CA -0.217 44.918 45.100 0.057 0.000 0.863 97 G HN 0.468 nan 8.290 nan 0.000 0.560 98 E N 0.448 120.684 120.200 0.061 0.000 2.622 98 E HA 0.244 4.593 4.350 -0.001 0.000 0.255 98 E C 1.843 178.490 176.600 0.080 0.000 1.313 98 E CA -0.601 55.839 56.400 0.067 0.000 1.011 98 E CB 0.570 30.302 29.700 0.053 0.000 1.173 98 E HN 0.437 nan 8.360 nan 0.000 0.601 99 R N 0.025 120.576 120.500 0.084 0.000 2.178 99 R HA -0.195 4.145 4.340 -0.001 0.000 0.257 99 R C 1.271 177.617 176.300 0.076 0.000 1.163 99 R CA 1.748 57.904 56.100 0.093 0.000 0.981 99 R CB -0.397 29.957 30.300 0.090 0.000 0.878 99 R HN 0.618 nan 8.270 nan 0.000 0.454 100 G N -1.079 107.755 108.800 0.057 0.000 3.735 100 G HA2 0.409 4.369 3.960 -0.001 0.000 0.283 100 G HA3 0.409 4.369 3.960 -0.001 0.000 0.283 100 G C -0.045 174.881 174.900 0.044 0.000 1.007 100 G CA 0.135 45.260 45.100 0.042 0.000 0.821 100 G HN 0.339 nan 8.290 nan 0.000 0.505 101 A N 0.474 123.327 122.820 0.055 0.000 2.386 101 A HA 0.698 5.017 4.320 -0.001 0.000 0.246 101 A C 1.049 178.666 177.584 0.055 0.000 1.089 101 A CA 0.345 52.414 52.037 0.052 0.000 0.790 101 A CB 0.186 19.221 19.000 0.058 0.000 1.042 101 A HN 1.164 nan 8.150 nan 0.000 0.497 102 A N 0.472 123.321 122.820 0.048 0.000 2.511 102 A HA 0.293 4.613 4.320 -0.001 0.000 0.242 102 A C 0.685 178.303 177.584 0.056 0.000 1.069 102 A CA 0.135 52.199 52.037 0.045 0.000 0.763 102 A CB -0.066 18.957 19.000 0.038 0.000 1.001 102 A HN 0.796 nan 8.150 nan 0.000 0.498 103 D N 2.128 122.557 120.400 0.048 0.000 2.117 103 D HA -0.032 4.608 4.640 -0.001 0.000 0.198 103 D C 1.407 177.718 176.300 0.019 0.000 0.982 103 D CA 1.895 55.921 54.000 0.044 0.000 0.828 103 D CB -0.101 40.700 40.800 0.002 0.000 0.967 103 D HN 0.650 nan 8.370 nan 0.000 0.464 104 A N 1.376 124.203 122.820 0.012 0.000 3.135 104 A HA 0.135 4.454 4.320 -0.001 0.000 0.253 104 A C 0.221 177.827 177.584 0.035 0.000 1.638 104 A CA -0.031 52.014 52.037 0.013 0.000 1.295 104 A CB -0.411 18.593 19.000 0.006 0.000 1.106 104 A HN 0.013 nan 8.150 nan 0.000 0.648 105 E N 0.076 120.307 120.200 0.053 0.000 2.222 105 E HA 0.309 4.659 4.350 -0.001 0.000 0.267 105 E C -0.149 176.498 176.600 0.078 0.000 0.963 105 E CA -0.996 55.443 56.400 0.064 0.000 0.837 105 E CB 1.575 31.317 29.700 0.070 0.000 1.183 105 E HN 0.511 nan 8.360 nan 0.000 0.403 106 R N 1.985 122.536 120.500 0.084 0.000 2.296 106 R HA 0.082 4.422 4.340 -0.001 0.000 0.323 106 R C -1.008 175.361 176.300 0.115 0.000 1.067 106 R CA 0.558 56.717 56.100 0.099 0.000 0.946 106 R CB 0.205 30.568 30.300 0.105 0.000 0.991 106 R HN 0.419 nan 8.270 nan 0.000 0.448 107 D N 3.002 123.478 120.400 0.126 0.000 2.807 107 D HA 0.184 4.823 4.640 -0.001 0.000 0.279 107 D C -0.719 175.677 176.300 0.159 0.000 1.247 107 D CA -0.575 53.510 54.000 0.142 0.000 0.749 107 D CB 1.000 41.873 40.800 0.122 0.000 1.264 107 D HN 0.387 nan 8.370 nan 0.000 0.421 108 I N 1.185 121.862 120.570 0.179 0.000 2.882 108 I HA 0.227 4.397 4.170 -0.001 0.000 0.286 108 I C 0.541 176.792 176.117 0.225 0.000 1.139 108 I CA -0.245 61.175 61.300 0.201 0.000 1.379 108 I CB 0.447 38.599 38.000 0.254 0.000 1.410 108 I HN 0.053 nan 8.210 nan 0.000 0.594 109 R N 3.422 124.084 120.500 0.270 0.000 2.387 109 R HA 0.384 4.723 4.340 -0.001 0.000 0.314 109 R C -0.233 176.279 176.300 0.352 0.000 0.958 109 R CA -0.754 55.540 56.100 0.323 0.000 0.846 109 R CB 1.412 31.928 30.300 0.360 0.000 1.147 109 R HN 0.786 nan 8.270 nan 0.000 0.447 110 G N 1.370 110.402 108.800 0.388 0.000 2.442 110 G HA2 0.255 4.214 3.960 -0.001 0.000 0.249 110 G HA3 0.255 4.214 3.960 -0.001 0.000 0.249 110 G C -0.862 174.150 174.900 0.185 0.000 1.263 110 G CA -0.124 45.170 45.100 0.324 0.000 0.846 110 G HN 0.494 nan 8.290 nan 0.000 0.555 111 F N 2.647 122.541 119.950 -0.092 0.000 2.622 111 F HA 0.558 5.084 4.527 -0.001 0.000 0.338 111 F C 0.410 175.940 175.800 -0.450 0.000 1.334 111 F CA -0.912 57.001 58.000 -0.144 0.000 1.179 111 F CB 0.725 39.659 39.000 -0.110 0.000 1.471 111 F HN 0.634 nan 8.300 nan 0.000 0.576 112 A N 5.340 127.720 122.820 -0.733 0.000 2.276 112 A HA 0.752 5.072 4.320 -0.001 0.000 0.300 112 A C -1.049 175.782 177.584 -1.255 0.000 1.235 112 A CA -0.350 51.018 52.037 -1.114 0.000 0.867 112 A CB 0.367 18.302 19.000 -1.775 0.000 1.137 112 A HN 0.630 nan 8.150 nan 0.000 0.527 113 L N 2.014 122.685 121.223 -0.921 0.000 2.362 113 L HA 0.614 4.954 4.340 -0.001 0.000 0.271 113 L C 0.034 176.491 176.870 -0.687 0.000 1.002 113 L CA -0.677 53.572 54.840 -0.985 0.000 0.818 113 L CB 2.137 43.410 42.059 -1.309 0.000 1.298 113 L HN 0.749 nan 8.230 nan 0.000 0.420 114 K N 2.669 122.598 120.400 -0.785 0.000 2.535 114 K HA 0.512 4.831 4.320 -0.001 0.000 0.253 114 K C -1.732 174.231 176.600 -1.061 0.000 0.953 114 K CA -0.421 55.423 56.287 -0.738 0.000 0.863 114 K CB 1.018 33.122 32.500 -0.660 0.000 1.111 114 K HN 0.321 nan 8.250 nan 0.000 0.431 115 F N 3.887 123.473 119.950 -0.607 0.000 2.404 115 F HA 0.291 4.817 4.527 -0.001 0.000 0.354 115 F C -0.348 175.245 175.800 -0.344 0.000 1.122 115 F CA -0.756 56.981 58.000 -0.440 0.000 1.080 115 F CB 0.760 39.605 39.000 -0.259 0.000 1.131 115 F HN 0.413 nan 8.300 nan 0.000 0.471 116 Y N 1.691 122.050 120.300 0.099 0.000 2.570 116 Y HA 0.194 4.743 4.550 -0.001 0.000 0.336 116 Y C 1.096 177.037 175.900 0.069 0.000 1.284 116 Y CA -0.978 57.153 58.100 0.053 0.000 1.761 116 Y CB -0.759 37.717 38.460 0.027 0.000 1.724 116 Y HN 0.531 nan 8.280 nan 0.000 0.455 117 T N -2.431 112.217 114.554 0.157 0.000 2.874 117 T HA 0.100 4.449 4.350 -0.001 0.000 0.281 117 T C 1.233 175.972 174.700 0.065 0.000 0.994 117 T CA -0.551 61.599 62.100 0.083 0.000 1.015 117 T CB 1.127 69.995 68.868 -0.000 0.000 1.028 117 T HN 0.723 nan 8.240 nan 0.000 0.523 118 E N 0.152 120.374 120.200 0.037 0.000 2.338 118 E HA -0.116 4.234 4.350 -0.001 0.000 0.197 118 E C 0.873 177.481 176.600 0.013 0.000 1.007 118 E CA 0.955 57.376 56.400 0.036 0.000 0.849 118 E CB -0.086 29.634 29.700 0.034 0.000 0.774 118 E HN 0.848 nan 8.360 nan 0.000 0.506 119 E N 0.714 120.901 120.200 -0.022 0.000 2.585 119 E HA 0.304 4.654 4.350 -0.001 0.000 0.206 119 E C -0.107 176.444 176.600 -0.081 0.000 1.007 119 E CA 0.011 56.362 56.400 -0.081 0.000 1.028 119 E CB 1.137 30.759 29.700 -0.130 0.000 1.087 119 E HN 0.376 nan 8.360 nan 0.000 0.455 120 G N 1.323 110.111 108.800 -0.020 0.000 2.497 120 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.686 120 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.686 120 G C -1.066 173.859 174.900 0.041 0.000 1.288 120 G CA -1.121 43.977 45.100 -0.003 0.000 0.899 120 G HN 0.224 nan 8.290 nan 0.000 0.608 121 N N -0.046 118.677 118.700 0.038 0.000 2.442 121 N HA 0.362 5.102 4.740 -0.001 0.000 0.265 121 N C -0.610 174.957 175.510 0.096 0.000 1.138 121 N CA -0.194 52.872 53.050 0.027 0.000 0.956 121 N CB 0.904 39.365 38.487 -0.044 0.000 1.067 121 N HN 0.581 nan 8.380 nan 0.000 0.474 122 W N 4.452 125.709 121.300 -0.072 0.000 2.291 122 W HA 0.293 4.952 4.660 -0.001 0.000 0.312 122 W C -1.143 175.380 176.519 0.007 0.000 1.061 122 W CA -1.025 56.294 57.345 -0.042 0.000 1.296 122 W CB 0.257 29.655 29.460 -0.103 0.000 1.223 122 W HN 0.395 nan 8.180 nan 0.000 0.421 123 D N 6.457 126.762 120.400 -0.158 0.000 2.232 123 D HA 0.165 4.805 4.640 -0.001 0.000 0.242 123 D C -0.133 175.869 176.300 -0.495 0.000 1.093 123 D CA -0.126 53.694 54.000 -0.300 0.000 0.845 123 D CB 1.523 42.285 40.800 -0.063 0.000 1.124 123 D HN 0.277 nan 8.370 nan 0.000 0.467 124 M N 3.927 123.130 119.600 -0.662 0.000 2.131 124 M HA 0.178 4.657 4.480 -0.001 0.000 0.345 124 M C -1.468 174.617 176.300 -0.358 0.000 1.060 124 M CA -0.813 54.153 55.300 -0.557 0.000 1.011 124 M CB 0.534 32.687 32.600 -0.746 0.000 1.328 124 M HN -0.029 nan 8.290 nan 0.000 0.396 125 V N 5.054 124.840 119.914 -0.215 0.000 2.276 125 V HA 0.475 4.595 4.120 -0.001 0.000 0.249 125 V C 1.004 177.044 176.094 -0.090 0.000 1.160 125 V CA -0.358 61.801 62.300 -0.236 0.000 1.042 125 V CB -0.542 31.119 31.823 -0.271 0.000 1.224 125 V HN 0.844 nan 8.190 nan 0.000 0.496 126 G N 3.146 111.907 108.800 -0.065 0.000 2.795 126 G HA2 0.615 4.575 3.960 -0.001 0.000 0.267 126 G HA3 0.615 4.575 3.960 -0.001 0.000 0.267 126 G C -0.717 174.245 174.900 0.104 0.000 1.362 126 G CA -0.617 44.525 45.100 0.069 0.000 1.048 126 G HN 0.487 nan 8.290 nan 0.000 0.547 127 N N -0.971 117.828 118.700 0.166 0.000 2.831 127 N HA 0.207 4.947 4.740 -0.001 0.000 0.276 127 N C 0.130 175.793 175.510 0.255 0.000 1.416 127 N CA -0.695 52.496 53.050 0.235 0.000 0.799 127 N CB 1.495 40.118 38.487 0.227 0.000 1.554 127 N HN 0.519 nan 8.380 nan 0.000 0.541 128 N N -1.053 117.820 118.700 0.288 0.000 2.362 128 N HA -0.013 4.726 4.740 -0.001 0.000 0.204 128 N C -0.409 175.358 175.510 0.428 0.000 1.166 128 N CA 0.065 53.306 53.050 0.319 0.000 0.831 128 N CB 0.044 38.705 38.487 0.289 0.000 1.008 128 N HN 0.403 nan 8.380 nan 0.000 0.472 129 T N -0.083 114.638 114.554 0.277 0.000 2.893 129 T HA 0.375 4.724 4.350 -0.001 0.000 0.293 129 T C -2.397 172.008 174.700 -0.491 0.000 1.027 129 T CA -1.796 60.234 62.100 -0.117 0.000 0.988 129 T CB 2.322 71.133 68.868 -0.094 0.000 1.043 129 T HN -0.173 nan 8.240 nan 0.000 0.461 130 P HA 0.110 nan 4.420 nan 0.000 0.236 130 P C 0.568 177.583 177.300 -0.474 0.000 1.177 130 P CA 0.418 62.950 63.100 -0.946 0.000 0.773 130 P CB -0.011 31.074 31.700 -1.024 0.000 0.878 131 V N -4.858 114.806 119.914 -0.417 0.000 3.105 131 V HA 0.775 4.894 4.120 -0.001 0.000 0.311 131 V C -0.832 175.194 176.094 -0.113 0.000 1.282 131 V CA -1.093 61.025 62.300 -0.303 0.000 1.065 131 V CB 1.886 33.414 31.823 -0.490 0.000 1.136 131 V HN -0.097 nan 8.190 nan 0.000 0.469 132 F N -1.788 117.992 119.950 -0.282 0.000 2.745 132 F HA 0.643 5.169 4.527 -0.001 0.000 0.316 132 F C 0.295 175.989 175.800 -0.177 0.000 1.155 132 F CA -1.061 56.789 58.000 -0.250 0.000 0.937 132 F CB 1.443 40.403 39.000 -0.067 0.000 1.361 132 F HN 0.529 nan 8.300 nan 0.000 0.472 133 Y N 1.267 121.266 120.300 -0.502 0.000 2.314 133 Y HA 0.129 4.679 4.550 -0.001 0.000 0.293 133 Y C 0.425 176.334 175.900 0.015 0.000 1.129 133 Y CA 0.800 58.754 58.100 -0.244 0.000 1.201 133 Y CB -0.380 37.940 38.460 -0.233 0.000 0.999 133 Y HN 0.068 nan 8.280 nan 0.000 0.541 134 L N -0.814 120.616 121.223 0.344 0.000 2.313 134 L HA 0.505 4.844 4.340 -0.001 0.000 0.268 134 L C 0.894 177.879 176.870 0.191 0.000 1.010 134 L CA -0.890 54.122 54.840 0.287 0.000 0.814 134 L CB 1.855 44.150 42.059 0.393 0.000 1.304 134 L HN -0.185 nan 8.230 nan 0.000 0.441 135 R N -0.769 119.741 120.500 0.016 0.000 2.344 135 R HA 0.181 4.520 4.340 -0.001 0.000 0.209 135 R C -0.483 175.772 176.300 -0.075 0.000 0.886 135 R CA 0.071 56.096 56.100 -0.125 0.000 1.040 135 R CB 0.660 30.640 30.300 -0.532 0.000 1.114 135 R HN 0.594 nan 8.270 nan 0.000 0.547 136 D N 0.566 120.980 120.400 0.022 0.000 2.757 136 D HA 0.148 4.788 4.640 -0.001 0.000 0.249 136 D C -1.970 174.438 176.300 0.180 0.000 1.168 136 D CA -2.044 52.025 54.000 0.115 0.000 0.870 136 D CB 2.577 43.487 40.800 0.184 0.000 1.411 136 D HN -0.185 nan 8.370 nan 0.000 0.525 137 P HA -0.108 nan 4.420 nan 0.000 0.221 137 P C 1.782 179.201 177.300 0.198 0.000 1.145 137 P CA 0.490 63.694 63.100 0.172 0.000 0.795 137 P CB 0.587 32.340 31.700 0.089 0.000 0.775 138 L N -0.688 120.633 121.223 0.164 0.000 2.191 138 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 138 L C 2.339 179.301 176.870 0.154 0.000 1.103 138 L CA 1.275 56.198 54.840 0.139 0.000 0.769 138 L CB -0.622 41.507 42.059 0.116 0.000 0.908 138 L HN -0.094 nan 8.230 nan 0.000 0.438 139 K N -0.811 119.714 120.400 0.209 0.000 2.459 139 K HA -0.044 4.275 4.320 -0.001 0.000 0.193 139 K C 1.741 178.480 176.600 0.231 0.000 1.030 139 K CA 0.514 56.944 56.287 0.239 0.000 1.026 139 K CB -0.203 32.471 32.500 0.289 0.000 0.809 139 K HN 0.161 nan 8.250 nan 0.000 0.504 140 F N 2.546 122.562 119.950 0.111 0.000 2.102 140 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 140 F C -0.933 174.826 175.800 -0.068 0.000 1.105 140 F CA 1.038 59.093 58.000 0.091 0.000 1.239 140 F CB -0.796 38.272 39.000 0.112 0.000 0.991 140 F HN 0.038 nan 8.300 nan 0.000 0.474 141 P HA -0.138 nan 4.420 nan 0.000 0.217 141 P C 1.149 177.982 177.300 -0.778 0.000 1.150 141 P CA 1.820 64.686 63.100 -0.391 0.000 0.832 141 P CB -0.061 31.478 31.700 -0.268 0.000 0.787 142 D N -0.674 119.409 120.400 -0.529 0.000 2.117 142 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 142 D C 1.927 177.638 176.300 -0.981 0.000 0.987 142 D CA 0.989 54.610 54.000 -0.632 0.000 0.829 142 D CB -0.556 40.054 40.800 -0.317 0.000 0.961 142 D HN 0.090 nan 8.370 nan 0.000 0.460 143 L N 1.906 122.636 121.223 -0.822 0.000 2.017 143 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 143 L C 1.824 178.296 176.870 -0.664 0.000 1.073 143 L CA 1.661 56.007 54.840 -0.825 0.000 0.745 143 L CB -0.846 40.973 42.059 -0.400 0.000 0.894 143 L HN -0.057 nan 8.230 nan 0.000 0.432 144 N N -0.499 117.833 118.700 -0.614 0.000 2.069 144 N HA -0.292 4.447 4.740 -0.001 0.000 0.191 144 N C 1.923 177.312 175.510 -0.202 0.000 1.031 144 N CA 2.271 55.085 53.050 -0.392 0.000 0.852 144 N CB -0.388 37.898 38.487 -0.334 0.000 1.018 144 N HN 0.703 nan 8.380 nan 0.000 0.423 145 H N -0.427 118.436 119.070 -0.346 0.000 2.456 145 H HA -0.089 4.466 4.556 -0.001 0.000 0.296 145 H C 1.884 177.042 175.328 -0.284 0.000 1.079 145 H CA 1.415 57.295 56.048 -0.280 0.000 1.322 145 H CB 0.164 29.757 29.762 -0.282 0.000 1.388 145 H HN 0.426 nan 8.280 nan 0.000 0.538 146 I N -1.326 119.056 120.570 -0.314 0.000 3.462 146 I HA -0.028 4.141 4.170 -0.001 0.000 0.290 146 I C 2.066 178.054 176.117 -0.216 0.000 1.236 146 I CA 0.163 61.288 61.300 -0.292 0.000 1.418 146 I CB -0.295 37.402 38.000 -0.506 0.000 1.102 146 I HN 0.026 nan 8.210 nan 0.000 0.441 147 V N -1.651 118.119 119.914 -0.240 0.000 3.129 147 V HA 0.188 4.307 4.120 -0.001 0.000 0.259 147 V C 1.384 177.435 176.094 -0.071 0.000 1.116 147 V CA 0.531 62.747 62.300 -0.141 0.000 1.127 147 V CB -1.108 30.628 31.823 -0.145 0.000 0.742 147 V HN 0.342 nan 8.190 nan 0.000 0.474 148 K N 0.299 120.656 120.400 -0.072 0.000 2.727 148 K HA 0.516 4.835 4.320 -0.001 0.000 0.299 148 K C -0.072 176.516 176.600 -0.020 0.000 0.996 148 K CA -1.034 55.234 56.287 -0.032 0.000 1.212 148 K CB 0.442 32.928 32.500 -0.023 0.000 1.529 148 K HN 0.184 nan 8.250 nan 0.000 0.646 149 R N 1.705 122.196 120.500 -0.014 0.000 2.441 149 R HA 0.049 4.389 4.340 -0.001 0.000 0.284 149 R C -0.266 176.030 176.300 -0.006 0.000 1.070 149 R CA -0.417 55.677 56.100 -0.010 0.000 1.047 149 R CB 0.377 30.672 30.300 -0.009 0.000 1.016 149 R HN 0.533 nan 8.270 nan 0.000 0.477 150 D N 4.220 124.625 120.400 0.010 0.000 2.455 150 D HA -0.021 4.619 4.640 -0.001 0.000 0.241 150 D C -1.237 175.075 176.300 0.019 0.000 1.138 150 D CA -1.415 52.616 54.000 0.051 0.000 0.877 150 D CB 1.146 41.944 40.800 -0.003 0.000 1.187 150 D HN 0.302 nan 8.370 nan 0.000 0.451 151 P HA -0.146 nan 4.420 nan 0.000 0.219 151 P C 1.195 178.490 177.300 -0.009 0.000 1.146 151 P CA 1.075 64.160 63.100 -0.024 0.000 0.808 151 P CB 0.446 32.118 31.700 -0.047 0.000 0.779 152 R N -0.161 120.346 120.500 0.012 0.000 2.140 152 R HA 0.014 4.353 4.340 -0.001 0.000 0.200 152 R C 2.371 178.670 176.300 -0.002 0.000 1.069 152 R CA 1.400 57.503 56.100 0.005 0.000 1.088 152 R CB -0.508 29.800 30.300 0.014 0.000 1.012 152 R HN 0.118 nan 8.270 nan 0.000 0.500 153 T N -1.570 112.980 114.554 -0.007 0.000 3.055 153 T HA -0.044 4.305 4.350 -0.001 0.000 0.265 153 T C 0.734 175.426 174.700 -0.013 0.000 1.111 153 T CA 0.998 63.089 62.100 -0.016 0.000 1.118 153 T CB -0.246 68.603 68.868 -0.033 0.000 0.909 153 T HN 0.451 nan 8.240 nan 0.000 0.501 154 N N 0.217 118.910 118.700 -0.011 0.000 2.741 154 N HA -0.145 4.595 4.740 -0.001 0.000 0.250 154 N C -0.747 174.758 175.510 -0.008 0.000 1.115 154 N CA 0.861 53.906 53.050 -0.009 0.000 0.724 154 N CB -1.754 36.729 38.487 -0.006 0.000 1.090 154 N HN 0.713 nan 8.380 nan 0.000 0.558 155 M N -0.036 119.556 119.600 -0.013 0.000 2.572 155 M HA 0.367 4.846 4.480 -0.001 0.000 0.299 155 M C 0.015 176.306 176.300 -0.016 0.000 1.205 155 M CA -0.769 54.525 55.300 -0.011 0.000 0.876 155 M CB 2.090 34.681 32.600 -0.014 0.000 1.728 155 M HN -0.083 nan 8.290 nan 0.000 0.458 156 R N 1.964 122.461 120.500 -0.005 0.000 2.484 156 R HA 0.070 4.410 4.340 -0.001 0.000 0.293 156 R C -0.261 176.028 176.300 -0.018 0.000 1.023 156 R CA 0.018 56.117 56.100 -0.002 0.000 1.037 156 R CB -0.080 30.231 30.300 0.017 0.000 0.951 156 R HN 0.431 nan 8.270 nan 0.000 0.418 157 N N 4.271 122.946 118.700 -0.042 0.000 2.485 157 N HA 0.041 4.781 4.740 -0.001 0.000 0.243 157 N C 0.724 176.220 175.510 -0.022 0.000 0.987 157 N CA -0.274 52.702 53.050 -0.124 0.000 0.940 157 N CB 0.963 39.217 38.487 -0.388 0.000 1.122 157 N HN 0.472 nan 8.380 nan 0.000 0.509 158 M N 2.021 121.650 119.600 0.048 0.000 2.374 158 M HA -0.029 4.451 4.480 -0.001 0.000 0.264 158 M C 1.767 178.235 176.300 0.279 0.000 1.067 158 M CA 0.612 56.041 55.300 0.215 0.000 1.103 158 M CB -1.249 31.505 32.600 0.256 0.000 1.402 158 M HN 0.620 nan 8.290 nan 0.000 0.444 159 A N -0.536 122.353 122.820 0.114 0.000 1.898 159 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 159 A C 1.899 179.649 177.584 0.276 0.000 1.181 159 A CA 1.201 53.329 52.037 0.150 0.000 0.620 159 A CB -0.722 18.287 19.000 0.016 0.000 0.819 159 A HN 0.359 nan 8.150 nan 0.000 0.442 160 Y N 0.181 120.526 120.300 0.074 0.000 2.220 160 Y HA -0.114 4.435 4.550 -0.001 0.000 0.291 160 Y C 2.335 178.223 175.900 -0.020 0.000 1.129 160 Y CA 1.007 59.118 58.100 0.019 0.000 1.161 160 Y CB -0.872 37.565 38.460 -0.038 0.000 0.997 160 Y HN 0.430 nan 8.280 nan 0.000 0.522 161 K N -0.483 119.985 120.400 0.113 0.000 2.020 161 K HA -0.241 4.078 4.320 -0.001 0.000 0.212 161 K C 1.924 178.430 176.600 -0.158 0.000 1.050 161 K CA 2.343 58.552 56.287 -0.130 0.000 0.929 161 K CB -0.598 31.809 32.500 -0.155 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.443 162 W N 1.261 122.680 121.300 0.200 0.000 2.467 162 W HA -0.076 4.584 4.660 -0.001 0.000 0.275 162 W C 1.977 178.575 176.519 0.132 0.000 1.239 162 W CA 0.821 58.288 57.345 0.203 0.000 1.266 162 W CB -0.259 29.295 29.460 0.156 0.000 1.112 162 W HN 0.376 nan 8.180 nan 0.000 0.576 163 D N -0.101 120.471 120.400 0.287 0.000 2.084 163 D HA -0.260 4.379 4.640 -0.001 0.000 0.194 163 D C 1.897 178.340 176.300 0.237 0.000 0.990 163 D CA 1.366 55.502 54.000 0.226 0.000 0.826 163 D CB -0.571 40.378 40.800 0.249 0.000 0.971 163 D HN 0.056 nan 8.370 nan 0.000 0.453 164 F N 0.226 120.161 119.950 -0.024 0.000 2.043 164 F HA -0.183 4.343 4.527 -0.001 0.000 0.297 164 F C 1.998 177.706 175.800 -0.154 0.000 1.121 164 F CA 1.529 59.431 58.000 -0.164 0.000 1.199 164 F CB -0.739 37.976 39.000 -0.474 0.000 0.968 164 F HN -0.071 nan 8.300 nan 0.000 0.478 165 F N 0.919 120.780 119.950 -0.148 0.000 2.269 165 F HA -0.131 4.395 4.527 -0.001 0.000 0.301 165 F C 2.931 178.595 175.800 -0.227 0.000 1.082 165 F CA 1.215 59.027 58.000 -0.313 0.000 1.360 165 F CB -1.593 37.183 39.000 -0.373 0.000 1.041 165 F HN 0.159 nan 8.300 nan 0.000 0.512 166 S N -1.351 114.359 115.700 0.017 0.000 2.474 166 S HA -0.172 4.298 4.470 -0.001 0.000 0.235 166 S C 1.515 175.930 174.600 -0.307 0.000 0.997 166 S CA 1.178 59.291 58.200 -0.145 0.000 0.949 166 S CB -0.743 62.350 63.200 -0.178 0.000 0.766 166 S HN 0.478 nan 8.310 nan 0.000 0.517 167 H N 0.429 119.427 119.070 -0.119 0.000 2.551 167 H HA 0.419 4.975 4.556 -0.001 0.000 0.271 167 H C -0.215 174.980 175.328 -0.221 0.000 0.984 167 H CA 0.096 56.052 56.048 -0.154 0.000 1.164 167 H CB 0.294 29.967 29.762 -0.149 0.000 1.437 167 H HN 0.396 nan 8.280 nan 0.000 0.550 168 L N 1.636 122.760 121.223 -0.166 0.000 2.495 168 L HA 0.254 4.593 4.340 -0.001 0.000 0.248 168 L C -1.960 174.762 176.870 -0.247 0.000 1.229 168 L CA -1.573 53.140 54.840 -0.211 0.000 0.942 168 L CB 2.020 43.931 42.059 -0.247 0.000 1.242 168 L HN -0.175 nan 8.230 nan 0.000 0.484 169 P HA -0.217 nan 4.420 nan 0.000 0.218 169 P C 1.410 178.444 177.300 -0.443 0.000 1.146 169 P CA 1.058 63.835 63.100 -0.539 0.000 0.813 169 P CB 0.206 31.288 31.700 -1.030 0.000 0.778 170 E N 0.327 120.297 120.200 -0.385 0.000 2.204 170 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 170 E C 1.553 178.168 176.600 0.024 0.000 0.990 170 E CA 1.817 58.221 56.400 0.007 0.000 0.821 170 E CB -1.168 28.619 29.700 0.144 0.000 0.750 170 E HN 0.351 nan 8.360 nan 0.000 0.477 171 S N 0.721 116.414 115.700 -0.013 0.000 2.555 171 S HA 0.020 4.490 4.470 -0.001 0.000 0.230 171 S C 2.114 176.698 174.600 -0.027 0.000 0.978 171 S CA 0.183 58.388 58.200 0.009 0.000 0.934 171 S CB -0.600 62.611 63.200 0.019 0.000 0.766 171 S HN 0.216 nan 8.310 nan 0.000 0.533 172 L N 0.703 121.928 121.223 0.002 0.000 2.079 172 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 172 L C 2.801 179.796 176.870 0.208 0.000 1.081 172 L CA 2.015 56.912 54.840 0.096 0.000 0.752 172 L CB -0.801 41.321 42.059 0.104 0.000 0.896 172 L HN 0.506 nan 8.230 nan 0.000 0.433 173 H N -0.768 118.333 119.070 0.053 0.000 2.293 173 H HA -0.250 4.305 4.556 -0.001 0.000 0.300 173 H C 2.437 177.760 175.328 -0.008 0.000 1.082 173 H CA 1.556 57.632 56.048 0.046 0.000 1.308 173 H CB 0.361 30.127 29.762 0.006 0.000 1.375 173 H HN 0.189 nan 8.280 nan 0.000 0.495 174 Q N 0.787 120.571 119.800 -0.026 0.000 2.123 174 Q HA -0.071 4.268 4.340 -0.001 0.000 0.199 174 Q C 2.384 178.308 176.000 -0.126 0.000 0.966 174 Q CA 1.195 56.837 55.803 -0.268 0.000 0.845 174 Q CB -0.274 28.012 28.738 -0.753 0.000 0.907 174 Q HN 0.555 nan 8.270 nan 0.000 0.439 175 L N -0.363 120.853 121.223 -0.011 0.000 2.083 175 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 175 L C 2.190 179.215 176.870 0.259 0.000 1.083 175 L CA 1.643 56.555 54.840 0.119 0.000 0.752 175 L CB -0.651 41.476 42.059 0.113 0.000 0.899 175 L HN 0.254 nan 8.230 nan 0.000 0.433 176 T N -0.042 114.696 114.554 0.307 0.000 2.821 176 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 176 T C 1.901 176.725 174.700 0.208 0.000 1.046 176 T CA 1.192 63.502 62.100 0.351 0.000 1.139 176 T CB -0.111 69.004 68.868 0.412 0.000 0.871 176 T HN 0.207 nan 8.240 nan 0.000 0.454 177 I N 1.134 121.791 120.570 0.145 0.000 2.252 177 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 177 I C 2.271 178.439 176.117 0.085 0.000 1.102 177 I CA 1.082 62.432 61.300 0.084 0.000 1.385 177 I CB -0.322 37.682 38.000 0.006 0.000 1.064 177 I HN 0.110 nan 8.210 nan 0.000 0.414 178 D N 0.705 121.158 120.400 0.088 0.000 2.123 178 D HA -0.174 4.466 4.640 -0.001 0.000 0.196 178 D C 2.150 178.533 176.300 0.139 0.000 0.992 178 D CA 1.354 55.425 54.000 0.119 0.000 0.833 178 D CB -0.135 40.759 40.800 0.156 0.000 0.954 178 D HN 0.214 nan 8.370 nan 0.000 0.455 179 M N 0.696 120.394 119.600 0.163 0.000 2.492 179 M HA 0.025 4.505 4.480 -0.001 0.000 0.262 179 M C 1.134 177.483 176.300 0.082 0.000 1.090 179 M CA 0.213 55.601 55.300 0.147 0.000 1.110 179 M CB -0.773 31.943 32.600 0.194 0.000 1.407 179 M HN -0.097 nan 8.290 nan 0.000 0.470 180 S N 0.419 116.162 115.700 0.073 0.000 2.617 180 S HA 0.065 4.534 4.470 -0.001 0.000 0.259 180 S C 0.828 175.446 174.600 0.029 0.000 1.301 180 S CA -0.425 57.793 58.200 0.030 0.000 0.984 180 S CB 0.976 64.199 63.200 0.038 0.000 0.954 180 S HN 0.186 nan 8.310 nan 0.000 0.572 181 D N 0.597 121.000 120.400 0.005 0.000 2.182 181 D HA -0.074 4.565 4.640 -0.001 0.000 0.201 181 D C 1.902 178.222 176.300 0.033 0.000 0.986 181 D CA 1.222 55.226 54.000 0.007 0.000 0.847 181 D CB -0.294 40.496 40.800 -0.016 0.000 0.942 181 D HN 0.557 nan 8.370 nan 0.000 0.467 182 R N 0.164 120.694 120.500 0.049 0.000 2.357 182 R HA 0.044 4.383 4.340 -0.001 0.000 0.202 182 R C 1.970 178.325 176.300 0.092 0.000 1.047 182 R CA 0.599 56.745 56.100 0.077 0.000 1.034 182 R CB -0.180 30.179 30.300 0.099 0.000 0.875 182 R HN 0.105 nan 8.270 nan 0.000 0.473 183 G N 0.245 109.095 108.800 0.084 0.000 2.744 183 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.211 183 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.211 183 G C 0.567 175.526 174.900 0.098 0.000 1.143 183 G CA 0.048 45.207 45.100 0.098 0.000 0.788 183 G HN 0.183 nan 8.290 nan 0.000 0.534 184 L N 0.898 122.170 121.223 0.081 0.000 2.489 184 L HA 0.343 4.682 4.340 -0.001 0.000 0.257 184 L C -2.684 174.223 176.870 0.061 0.000 1.215 184 L CA -1.733 53.150 54.840 0.072 0.000 0.915 184 L CB 2.666 44.760 42.059 0.057 0.000 1.146 184 L HN -0.123 nan 8.230 nan 0.000 0.494 185 P HA 0.043 nan 4.420 nan 0.000 0.272 185 P C 0.501 177.838 177.300 0.062 0.000 1.230 185 P CA -0.405 62.747 63.100 0.086 0.000 0.788 185 P CB 0.960 32.738 31.700 0.129 0.000 0.949 186 L N 1.499 122.767 121.223 0.075 0.000 2.056 186 L HA -0.015 4.324 4.340 -0.001 0.000 0.207 186 L C 0.668 177.600 176.870 0.104 0.000 1.078 186 L CA 2.235 57.108 54.840 0.055 0.000 0.749 186 L CB -0.576 41.460 42.059 -0.039 0.000 0.901 186 L HN 0.626 nan 8.230 nan 0.000 0.433 187 S N -4.887 110.929 115.700 0.194 0.000 2.683 187 S HA 0.221 4.691 4.470 -0.001 0.000 0.269 187 S C 0.307 174.909 174.600 0.003 0.000 1.165 187 S CA -0.295 57.913 58.200 0.014 0.000 0.840 187 S CB -0.334 62.933 63.200 0.112 0.000 1.169 187 S HN 0.031 nan 8.310 nan 0.000 0.490 188 Y N 0.978 121.299 120.300 0.035 0.000 2.439 188 Y HA 0.232 4.781 4.550 -0.001 0.000 0.292 188 Y C 2.457 178.247 175.900 -0.184 0.000 1.130 188 Y CA 0.734 58.749 58.100 -0.141 0.000 1.254 188 Y CB -0.460 37.883 38.460 -0.195 0.000 1.000 188 Y HN 0.502 nan 8.280 nan 0.000 0.554 189 R N -0.867 119.548 120.500 -0.141 0.000 2.307 189 R HA 0.017 4.357 4.340 -0.001 0.000 0.199 189 R C -0.224 175.603 176.300 -0.787 0.000 1.000 189 R CA 0.568 56.379 56.100 -0.482 0.000 1.023 189 R CB -0.165 29.618 30.300 -0.862 0.000 0.908 189 R HN 0.235 nan 8.270 nan 0.000 0.473 190 F N 0.285 120.267 119.950 0.053 0.000 2.879 190 F HA 0.212 4.739 4.527 -0.001 0.000 0.354 190 F C -0.004 175.796 175.800 -0.001 0.000 1.291 190 F CA -0.954 57.032 58.000 -0.023 0.000 1.238 190 F CB 0.746 39.721 39.000 -0.041 0.000 1.005 190 F HN -0.295 nan 8.300 nan 0.000 0.508 191 V N -3.595 116.439 119.914 0.201 0.000 2.962 191 V HA 0.610 4.729 4.120 -0.001 0.000 0.313 191 V C -0.414 175.839 176.094 0.265 0.000 1.099 191 V CA -0.838 61.570 62.300 0.181 0.000 0.971 191 V CB 1.877 33.849 31.823 0.248 0.000 1.028 191 V HN 0.087 nan 8.190 nan 0.000 0.430 192 H N 1.193 120.402 119.070 0.231 0.000 2.505 192 H HA 0.745 5.301 4.556 -0.001 0.000 0.355 192 H C 0.430 175.527 175.328 -0.385 0.000 1.179 192 H CA 0.482 56.545 56.048 0.025 0.000 1.343 192 H CB 1.982 31.685 29.762 -0.098 0.000 1.501 192 H HN 1.164 nan 8.280 nan 0.000 0.569 193 G N 0.623 108.934 108.800 -0.814 0.000 2.453 193 G HA2 0.561 4.520 3.960 -0.001 0.000 0.323 193 G HA3 0.561 4.520 3.960 -0.001 0.000 0.323 193 G C -1.460 172.892 174.900 -0.915 0.000 1.198 193 G CA -0.403 43.724 45.100 -1.622 0.000 0.959 193 G HN 0.356 nan 8.290 nan 0.000 0.482 194 F N -0.948 118.877 119.950 -0.208 0.000 2.631 194 F HA 0.508 5.034 4.527 -0.001 0.000 0.308 194 F C 1.089 176.939 175.800 0.083 0.000 1.097 194 F CA -0.474 57.520 58.000 -0.010 0.000 0.952 194 F CB 2.278 41.218 39.000 -0.101 0.000 1.307 194 F HN 0.596 nan 8.300 nan 0.000 0.450 195 G N -0.229 108.801 108.800 0.383 0.000 2.551 195 G HA2 0.228 4.188 3.960 -0.001 0.000 0.216 195 G HA3 0.228 4.188 3.960 -0.001 0.000 0.216 195 G C 0.826 175.904 174.900 0.296 0.000 1.137 195 G CA 0.826 46.195 45.100 0.448 0.000 0.798 195 G HN 0.708 nan 8.290 nan 0.000 0.536 196 S N -0.808 114.951 115.700 0.098 0.000 1.694 196 S HA -0.243 4.226 4.470 -0.001 0.000 0.236 196 S C 0.897 175.391 174.600 -0.176 0.000 0.821 196 S CA 1.389 59.510 58.200 -0.131 0.000 1.530 196 S CB -1.284 61.777 63.200 -0.232 0.000 1.703 196 S HN 0.674 nan 8.310 nan 0.000 0.517 197 H N 1.882 120.954 119.070 0.004 0.000 2.671 197 H HA 0.326 4.881 4.556 -0.001 0.000 0.372 197 H C 0.436 175.668 175.328 -0.160 0.000 1.227 197 H CA 0.822 56.795 56.048 -0.125 0.000 1.426 197 H CB 0.105 29.681 29.762 -0.310 0.000 1.480 197 H HN 0.348 nan 8.280 nan 0.000 0.611 198 T N 2.488 117.018 114.554 -0.040 0.000 2.780 198 T HA 0.240 4.589 4.350 -0.001 0.000 0.294 198 T C -0.172 174.526 174.700 -0.002 0.000 0.949 198 T CA -0.047 62.011 62.100 -0.070 0.000 1.074 198 T CB 0.037 68.972 68.868 0.112 0.000 0.910 198 T HN 0.298 nan 8.240 nan 0.000 0.501 199 Y N 0.867 121.172 120.300 0.009 0.000 2.853 199 Y HA 0.641 5.191 4.550 -0.001 0.000 0.332 199 Y C 0.857 176.907 175.900 0.250 0.000 1.229 199 Y CA -0.794 57.388 58.100 0.137 0.000 1.177 199 Y CB 1.231 39.732 38.460 0.068 0.000 1.435 199 Y HN 0.659 nan 8.280 nan 0.000 0.659 200 S N -0.242 115.694 115.700 0.394 0.000 2.564 200 S HA 0.705 5.174 4.470 -0.001 0.000 0.274 200 S C -1.748 173.007 174.600 0.258 0.000 1.124 200 S CA -0.750 57.599 58.200 0.249 0.000 0.869 200 S CB 1.729 65.014 63.200 0.141 0.000 1.105 200 S HN 0.257 nan 8.310 nan 0.000 0.472 201 F N 1.215 121.240 119.950 0.124 0.000 2.522 201 F HA 0.673 5.200 4.527 -0.001 0.000 0.324 201 F C -0.382 175.513 175.800 0.157 0.000 1.077 201 F CA -1.996 56.089 58.000 0.142 0.000 0.944 201 F CB 1.823 40.925 39.000 0.169 0.000 1.175 201 F HN 0.496 nan 8.300 nan 0.000 0.468 202 I N 3.806 124.548 120.570 0.286 0.000 2.499 202 I HA 0.201 4.370 4.170 -0.001 0.000 0.288 202 I C -0.384 175.821 176.117 0.146 0.000 1.048 202 I CA -0.831 60.572 61.300 0.172 0.000 1.062 202 I CB 1.505 39.547 38.000 0.071 0.000 1.238 202 I HN 0.530 nan 8.210 nan 0.000 0.426 203 N N 6.273 125.089 118.700 0.194 0.000 2.476 203 N HA 0.224 4.964 4.740 -0.001 0.000 0.287 203 N C 0.732 176.276 175.510 0.057 0.000 1.262 203 N CA -0.650 52.473 53.050 0.121 0.000 0.980 203 N CB 0.618 39.212 38.487 0.178 0.000 1.163 203 N HN 0.575 nan 8.380 nan 0.000 0.592 204 K N -1.629 118.786 120.400 0.024 0.000 2.280 204 K HA -0.087 4.232 4.320 -0.001 0.000 0.202 204 K C -0.304 176.293 176.600 -0.004 0.000 1.047 204 K CA 1.407 57.692 56.287 -0.003 0.000 0.942 204 K CB -0.165 32.324 32.500 -0.017 0.000 0.739 204 K HN 0.397 nan 8.250 nan 0.000 0.457 205 D N 1.398 121.807 120.400 0.015 0.000 2.336 205 D HA 0.038 4.677 4.640 -0.001 0.000 0.228 205 D C -0.362 175.937 176.300 -0.002 0.000 1.120 205 D CA 0.061 54.065 54.000 0.006 0.000 0.839 205 D CB -0.013 40.797 40.800 0.016 0.000 0.932 205 D HN 0.247 nan 8.370 nan 0.000 0.509 206 N N 1.359 120.059 118.700 0.001 0.000 2.747 206 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 206 N C -0.620 174.860 175.510 -0.049 0.000 1.107 206 N CA 0.698 53.738 53.050 -0.017 0.000 0.707 206 N CB -0.906 37.565 38.487 -0.026 0.000 1.054 206 N HN 0.496 nan 8.380 nan 0.000 0.555 207 E N 0.649 120.826 120.200 -0.038 0.000 2.216 207 E HA 0.295 4.644 4.350 -0.001 0.000 0.279 207 E C 0.386 176.814 176.600 -0.287 0.000 0.997 207 E CA -0.505 55.789 56.400 -0.177 0.000 0.817 207 E CB 1.793 31.414 29.700 -0.131 0.000 1.096 207 E HN 0.154 nan 8.360 nan 0.000 0.393 208 R N 3.112 123.311 120.500 -0.502 0.000 2.474 208 R HA 0.432 4.772 4.340 -0.001 0.000 0.295 208 R C -1.374 174.405 176.300 -0.869 0.000 0.980 208 R CA -0.343 55.449 56.100 -0.514 0.000 0.934 208 R CB 0.582 30.585 30.300 -0.494 0.000 1.101 208 R HN 0.377 nan 8.270 nan 0.000 0.469 209 F N 2.905 122.713 119.950 -0.237 0.000 2.557 209 F HA 0.360 4.886 4.527 -0.001 0.000 0.316 209 F C -0.831 174.849 175.800 -0.201 0.000 1.141 209 F CA -0.637 57.253 58.000 -0.183 0.000 0.922 209 F CB 1.161 40.185 39.000 0.041 0.000 1.194 209 F HN 0.474 nan 8.300 nan 0.000 0.443 210 W N 3.281 124.730 121.300 0.248 0.000 2.238 210 W HA 0.603 5.262 4.660 -0.001 0.000 0.321 210 W C -0.360 176.296 176.519 0.227 0.000 1.293 210 W CA -0.734 56.770 57.345 0.265 0.000 1.204 210 W CB 1.119 30.779 29.460 0.334 0.000 1.167 210 W HN 0.315 nan 8.180 nan 0.000 0.553 211 V N 4.193 124.228 119.914 0.201 0.000 3.007 211 V HA 0.523 4.643 4.120 -0.001 0.000 0.311 211 V C -1.014 174.707 176.094 -0.623 0.000 1.120 211 V CA -1.178 60.943 62.300 -0.299 0.000 0.980 211 V CB 2.162 33.464 31.823 -0.869 0.000 1.033 211 V HN 0.358 nan 8.190 nan 0.000 0.429 212 K N 4.413 124.397 120.400 -0.693 0.000 2.345 212 K HA 0.539 4.859 4.320 -0.001 0.000 0.255 212 K C -1.537 174.772 176.600 -0.486 0.000 0.934 212 K CA -0.225 55.659 56.287 -0.672 0.000 0.801 212 K CB 1.829 33.952 32.500 -0.629 0.000 1.137 212 K HN 0.520 nan 8.250 nan 0.000 0.424 213 F N 2.587 122.454 119.950 -0.138 0.000 2.415 213 F HA 0.328 4.854 4.527 -0.001 0.000 0.348 213 F C 0.853 176.516 175.800 -0.228 0.000 1.119 213 F CA -0.382 57.557 58.000 -0.101 0.000 1.069 213 F CB 0.898 39.946 39.000 0.079 0.000 1.124 213 F HN 0.251 nan 8.300 nan 0.000 0.472 214 H N 3.799 122.850 119.070 -0.032 0.000 2.589 214 H HA 0.346 4.901 4.556 -0.001 0.000 0.351 214 H C -1.388 173.720 175.328 -0.366 0.000 1.074 214 H CA -0.622 55.342 56.048 -0.140 0.000 1.203 214 H CB 1.891 31.608 29.762 -0.073 0.000 1.558 214 H HN 0.418 nan 8.280 nan 0.000 0.522 215 F N 3.102 122.982 119.950 -0.117 0.000 2.359 215 F HA 0.268 4.794 4.527 -0.001 0.000 0.369 215 F C 0.511 176.394 175.800 0.138 0.000 1.084 215 F CA -0.933 57.124 58.000 0.096 0.000 1.096 215 F CB 0.713 39.766 39.000 0.089 0.000 1.335 215 F HN 0.200 nan 8.300 nan 0.000 0.457 216 R N 1.582 122.249 120.500 0.277 0.000 2.316 216 R HA 0.091 4.430 4.340 -0.001 0.000 0.314 216 R C -0.174 176.342 176.300 0.361 0.000 1.069 216 R CA -0.332 55.920 56.100 0.254 0.000 0.959 216 R CB 0.638 30.991 30.300 0.088 0.000 0.987 216 R HN 0.643 nan 8.270 nan 0.000 0.446 217 C N 4.294 123.876 119.300 0.470 0.000 2.651 217 C HA 0.040 4.499 4.460 -0.001 0.000 0.410 217 C C 1.423 176.291 174.990 -0.203 0.000 1.372 217 C CA -0.283 58.633 59.018 -0.170 0.000 1.707 217 C CB -0.200 27.429 27.740 -0.185 0.000 2.501 217 C HN 0.614 nan 8.230 nan 0.000 0.598 218 Q N 3.048 122.601 119.800 -0.412 0.000 2.403 218 Q HA 0.020 4.360 4.340 -0.001 0.000 0.203 218 Q C 1.317 177.183 176.000 -0.223 0.000 0.932 218 Q CA 0.876 56.528 55.803 -0.251 0.000 0.945 218 Q CB 0.118 28.703 28.738 -0.254 0.000 1.045 218 Q HN 0.819 nan 8.270 nan 0.000 0.511 219 Q N -0.520 119.115 119.800 -0.275 0.000 2.282 219 Q HA 0.334 4.673 4.340 -0.001 0.000 0.206 219 Q C 0.289 176.335 176.000 0.078 0.000 0.878 219 Q CA 0.514 56.255 55.803 -0.104 0.000 0.944 219 Q CB 1.091 29.695 28.738 -0.224 0.000 1.100 219 Q HN 0.340 nan 8.270 nan 0.000 0.509 220 G N 0.601 109.403 108.800 0.004 0.000 2.733 220 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.686 220 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.686 220 G C -0.849 174.083 174.900 0.053 0.000 1.373 220 G CA -0.929 44.189 45.100 0.030 0.000 0.838 220 G HN 0.067 nan 8.290 nan 0.000 0.588 221 I N 1.226 121.787 120.570 -0.015 0.000 2.371 221 I HA 0.384 4.554 4.170 -0.001 0.000 0.290 221 I C 0.723 176.825 176.117 -0.025 0.000 1.028 221 I CA 0.135 61.421 61.300 -0.024 0.000 1.345 221 I CB 1.009 38.977 38.000 -0.053 0.000 1.407 221 I HN 0.453 nan 8.210 nan 0.000 0.501 222 K N 6.029 126.421 120.400 -0.013 0.000 2.443 222 K HA 0.502 4.822 4.320 -0.001 0.000 0.252 222 K C -0.870 175.695 176.600 -0.058 0.000 0.933 222 K CA -0.833 55.365 56.287 -0.148 0.000 0.792 222 K CB 2.446 34.633 32.500 -0.522 0.000 1.185 222 K HN 0.455 nan 8.250 nan 0.000 0.425 223 N N 2.154 120.816 118.700 -0.062 0.000 2.453 223 N HA 0.523 5.262 4.740 -0.001 0.000 0.290 223 N C -1.053 174.435 175.510 -0.037 0.000 1.250 223 N CA -0.686 52.350 53.050 -0.022 0.000 0.815 223 N CB 1.636 40.120 38.487 -0.005 0.000 1.381 223 N HN 0.291 nan 8.380 nan 0.000 0.510 224 L N 1.554 122.769 121.223 -0.014 0.000 2.341 224 L HA 0.446 4.785 4.340 -0.001 0.000 0.278 224 L C 0.073 176.939 176.870 -0.007 0.000 1.005 224 L CA -0.742 54.089 54.840 -0.016 0.000 0.818 224 L CB 1.366 43.422 42.059 -0.006 0.000 1.259 224 L HN 0.275 nan 8.230 nan 0.000 0.418 225 M N 1.399 120.991 119.600 -0.014 0.000 2.226 225 M HA 0.076 4.556 4.480 -0.001 0.000 0.324 225 M C 1.201 177.502 176.300 0.002 0.000 1.112 225 M CA 0.138 55.433 55.300 -0.009 0.000 1.176 225 M CB 0.456 33.046 32.600 -0.017 0.000 1.430 225 M HN 0.564 nan 8.290 nan 0.000 0.462 226 D N 1.274 121.679 120.400 0.009 0.000 2.133 226 D HA -0.223 4.416 4.640 -0.001 0.000 0.195 226 D C 1.171 177.479 176.300 0.013 0.000 0.997 226 D CA 2.039 56.050 54.000 0.018 0.000 0.840 226 D CB -0.118 40.697 40.800 0.024 0.000 0.947 226 D HN 0.643 nan 8.370 nan 0.000 0.452 227 D N 1.366 121.770 120.400 0.007 0.000 2.117 227 D HA -0.190 4.449 4.640 -0.001 0.000 0.197 227 D C 1.665 177.967 176.300 0.003 0.000 0.987 227 D CA 1.032 55.035 54.000 0.005 0.000 0.829 227 D CB -0.729 40.072 40.800 0.001 0.000 0.961 227 D HN 0.342 nan 8.370 nan 0.000 0.460 228 E N 0.841 121.040 120.200 -0.002 0.000 2.072 228 E HA -0.067 4.282 4.350 -0.001 0.000 0.191 228 E C 2.322 178.922 176.600 0.000 0.000 0.985 228 E CA 1.152 57.549 56.400 -0.005 0.000 0.801 228 E CB -0.183 29.509 29.700 -0.013 0.000 0.750 228 E HN 0.408 nan 8.360 nan 0.000 0.452 229 A N 1.665 124.488 122.820 0.005 0.000 1.902 229 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 229 A C 1.982 179.575 177.584 0.014 0.000 1.181 229 A CA 1.424 53.468 52.037 0.011 0.000 0.623 229 A CB -0.400 18.611 19.000 0.019 0.000 0.818 229 A HN 0.153 nan 8.150 nan 0.000 0.443 230 E N -0.294 119.915 120.200 0.015 0.000 2.058 230 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 230 E C 2.377 178.985 176.600 0.013 0.000 0.997 230 E CA 1.025 57.434 56.400 0.016 0.000 0.801 230 E CB -0.317 29.392 29.700 0.016 0.000 0.746 230 E HN 0.612 nan 8.360 nan 0.000 0.450 231 A N 1.350 124.175 122.820 0.009 0.000 1.908 231 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 231 A C 2.178 179.767 177.584 0.008 0.000 1.181 231 A CA 1.204 53.245 52.037 0.007 0.000 0.627 231 A CB -0.574 18.428 19.000 0.003 0.000 0.818 231 A HN 0.221 nan 8.150 nan 0.000 0.445 232 L N -0.048 121.180 121.223 0.007 0.000 2.017 232 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 232 L C 2.411 179.288 176.870 0.011 0.000 1.073 232 L CA 2.001 56.846 54.840 0.008 0.000 0.745 232 L CB -0.661 41.402 42.059 0.006 0.000 0.894 232 L HN 0.152 nan 8.230 nan 0.000 0.432 233 V N 0.256 120.178 119.914 0.013 0.000 2.332 233 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 233 V C 2.629 178.732 176.094 0.015 0.000 1.055 233 V CA 1.785 64.095 62.300 0.016 0.000 1.038 233 V CB -1.668 30.167 31.823 0.021 0.000 0.651 233 V HN 0.653 nan 8.190 nan 0.000 0.450 234 G N -0.455 108.353 108.800 0.013 0.000 2.450 234 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.220 234 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.220 234 G C 1.648 176.554 174.900 0.011 0.000 1.130 234 G CA 0.857 45.964 45.100 0.012 0.000 0.760 234 G HN 0.522 nan 8.290 nan 0.000 0.557 235 K N -0.997 119.409 120.400 0.011 0.000 2.334 235 K HA 0.135 4.454 4.320 -0.001 0.000 0.195 235 K C -0.411 176.196 176.600 0.011 0.000 1.045 235 K CA 0.287 56.580 56.287 0.010 0.000 1.004 235 K CB 0.672 33.178 32.500 0.010 0.000 0.837 235 K HN 0.168 nan 8.250 nan 0.000 0.510 236 D N -0.350 120.057 120.400 0.012 0.000 2.591 236 D HA 0.174 4.813 4.640 -0.001 0.000 0.222 236 D C -0.269 176.039 176.300 0.013 0.000 1.360 236 D CA -0.264 53.743 54.000 0.012 0.000 0.967 236 D CB 1.091 41.899 40.800 0.013 0.000 1.456 236 D HN -0.287 nan 8.370 nan 0.000 0.588 237 R N 1.230 121.739 120.500 0.014 0.000 2.299 237 R HA 0.150 4.489 4.340 -0.001 0.000 0.197 237 R C 0.533 176.846 176.300 0.021 0.000 0.971 237 R CA 0.717 56.828 56.100 0.019 0.000 1.030 237 R CB 0.348 30.660 30.300 0.020 0.000 0.932 237 R HN 0.331 nan 8.270 nan 0.000 0.477 238 E N -0.815 119.394 120.200 0.015 0.000 2.585 238 E HA 0.085 4.434 4.350 -0.001 0.000 0.206 238 E C 0.742 177.357 176.600 0.025 0.000 1.007 238 E CA 0.181 56.592 56.400 0.019 0.000 1.028 238 E CB 0.581 30.281 29.700 -0.001 0.000 1.087 238 E HN 0.206 nan 8.360 nan 0.000 0.455 239 S N -0.029 115.680 115.700 0.016 0.000 2.387 239 S HA -0.178 4.291 4.470 -0.001 0.000 0.230 239 S C 2.027 176.631 174.600 0.006 0.000 1.035 239 S CA 1.491 59.700 58.200 0.014 0.000 1.014 239 S CB -0.189 63.014 63.200 0.005 0.000 0.836 239 S HN 0.104 nan 8.310 nan 0.000 0.466 240 S N 1.510 117.180 115.700 -0.049 0.000 2.387 240 S HA -0.059 4.411 4.470 -0.001 0.000 0.226 240 S C 2.045 176.692 174.600 0.080 0.000 1.026 240 S CA 1.184 59.296 58.200 -0.146 0.000 0.972 240 S CB -0.460 62.372 63.200 -0.613 0.000 0.814 240 S HN 0.654 nan 8.310 nan 0.000 0.477 241 Q N 2.148 122.037 119.800 0.150 0.000 2.046 241 Q HA 0.002 4.342 4.340 -0.001 0.000 0.200 241 Q C 2.084 178.208 176.000 0.206 0.000 0.975 241 Q CA 1.587 57.522 55.803 0.221 0.000 0.836 241 Q CB -0.343 28.479 28.738 0.139 0.000 0.896 241 Q HN 0.439 nan 8.270 nan 0.000 0.428 242 R N -0.126 120.453 120.500 0.132 0.000 2.081 242 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 242 R C 1.810 178.223 176.300 0.188 0.000 1.131 242 R CA 1.935 58.119 56.100 0.139 0.000 0.960 242 R CB -0.478 29.871 30.300 0.082 0.000 0.856 242 R HN 0.523 nan 8.270 nan 0.000 0.436 243 D N -0.236 120.257 120.400 0.154 0.000 2.084 243 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 243 D C 1.930 178.342 176.300 0.187 0.000 0.990 243 D CA 1.185 55.279 54.000 0.156 0.000 0.826 243 D CB -0.019 40.857 40.800 0.128 0.000 0.971 243 D HN 0.189 nan 8.370 nan 0.000 0.453 244 L N -0.563 120.799 121.223 0.233 0.000 2.005 244 L HA 0.002 4.341 4.340 -0.001 0.000 0.207 244 L C 2.025 179.053 176.870 0.264 0.000 1.072 244 L CA 1.579 56.578 54.840 0.264 0.000 0.744 244 L CB -1.036 41.241 42.059 0.364 0.000 0.895 244 L HN 0.189 nan 8.230 nan 0.000 0.433 245 F N 0.715 120.766 119.950 0.169 0.000 2.069 245 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 245 F C 2.393 178.278 175.800 0.141 0.000 1.113 245 F CA 2.200 60.294 58.000 0.157 0.000 1.214 245 F CB -0.179 38.908 39.000 0.144 0.000 0.978 245 F HN 0.229 nan 8.300 nan 0.000 0.474 246 E N -0.028 120.374 120.200 0.336 0.000 2.150 246 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 246 E C 2.314 178.980 176.600 0.110 0.000 0.985 246 E CA 0.782 57.312 56.400 0.216 0.000 0.814 246 E CB -0.367 29.463 29.700 0.216 0.000 0.752 246 E HN 0.518 nan 8.360 nan 0.000 0.466 247 A N 1.467 124.356 122.820 0.115 0.000 1.873 247 A HA -0.156 4.164 4.320 -0.001 0.000 0.215 247 A C 2.183 179.819 177.584 0.087 0.000 1.186 247 A CA 1.024 53.113 52.037 0.087 0.000 0.616 247 A CB -0.539 18.516 19.000 0.092 0.000 0.823 247 A HN 0.117 nan 8.150 nan 0.000 0.442 248 I N -0.619 120.021 120.570 0.115 0.000 2.315 248 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 248 I C 2.527 178.720 176.117 0.126 0.000 1.117 248 I CA 1.668 63.092 61.300 0.206 0.000 1.404 248 I CB -0.266 37.801 38.000 0.112 0.000 1.071 248 I HN 0.384 nan 8.210 nan 0.000 0.419 249 K N 1.825 122.194 120.400 -0.052 0.000 2.063 249 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 249 K C 2.133 178.741 176.600 0.013 0.000 1.048 249 K CA 1.689 57.932 56.287 -0.073 0.000 0.928 249 K CB -0.056 32.386 32.500 -0.098 0.000 0.713 249 K HN 0.365 nan 8.250 nan 0.000 0.442 250 R N -1.070 119.438 120.500 0.013 0.000 2.310 250 R HA 0.112 4.451 4.340 -0.001 0.000 0.202 250 R C 0.859 177.110 176.300 -0.082 0.000 0.933 250 R CA 0.759 56.853 56.100 -0.010 0.000 1.054 250 R CB 0.197 30.498 30.300 0.002 0.000 0.985 250 R HN 0.293 nan 8.270 nan 0.000 0.489 251 G N 1.040 109.758 108.800 -0.137 0.000 2.157 251 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.239 251 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.239 251 G C -0.773 173.702 174.900 -0.708 0.000 0.982 251 G CA 0.119 44.908 45.100 -0.520 0.000 0.650 251 G HN 0.418 nan 8.290 nan 0.000 0.527 252 D N 1.045 121.262 120.400 -0.306 0.000 2.631 252 D HA 0.390 5.029 4.640 -0.001 0.000 0.227 252 D C 0.163 176.443 176.300 -0.032 0.000 1.146 252 D CA -0.277 53.616 54.000 -0.179 0.000 1.009 252 D CB -0.259 40.505 40.800 -0.059 0.000 1.057 252 D HN 0.307 nan 8.370 nan 0.000 0.509 253 Y N 2.234 122.539 120.300 0.008 0.000 2.605 253 Y HA 0.169 4.719 4.550 -0.001 0.000 0.336 253 Y C -1.542 174.348 175.900 -0.016 0.000 1.111 253 Y CA -3.066 55.052 58.100 0.029 0.000 1.422 253 Y CB -0.577 37.922 38.460 0.064 0.000 1.193 253 Y HN 0.175 nan 8.280 nan 0.000 0.526 254 P HA 0.203 nan 4.420 nan 0.000 0.271 254 P C -0.336 176.893 177.300 -0.118 0.000 1.216 254 P CA -0.330 62.701 63.100 -0.115 0.000 0.771 254 P CB 1.396 33.074 31.700 -0.037 0.000 0.864 255 R N 2.967 123.194 120.500 -0.455 0.000 2.807 255 R HA 0.559 4.898 4.340 -0.001 0.000 0.276 255 R C -1.431 174.536 176.300 -0.554 0.000 0.979 255 R CA -0.663 55.262 56.100 -0.291 0.000 0.928 255 R CB 1.675 31.883 30.300 -0.154 0.000 1.191 255 R HN 0.539 nan 8.270 nan 0.000 0.471 256 W N 2.806 123.915 121.300 -0.319 0.000 2.998 256 W HA 0.370 5.030 4.660 -0.001 0.000 0.335 256 W C -0.715 175.891 176.519 0.145 0.000 1.110 256 W CA -0.786 56.509 57.345 -0.084 0.000 1.230 256 W CB 2.282 31.725 29.460 -0.028 0.000 1.405 256 W HN 0.352 nan 8.180 nan 0.000 0.493 257 K N 2.653 123.285 120.400 0.387 0.000 2.211 257 K HA 0.326 4.645 4.320 -0.001 0.000 0.275 257 K C -0.413 176.374 176.600 0.313 0.000 1.024 257 K CA -0.915 55.583 56.287 0.352 0.000 0.887 257 K CB 1.758 34.378 32.500 0.199 0.000 1.084 257 K HN 0.190 nan 8.250 nan 0.000 0.463 258 L N 3.655 125.075 121.223 0.328 0.000 2.313 258 L HA 0.158 4.498 4.340 -0.001 0.000 0.282 258 L C -0.809 176.078 176.870 0.028 0.000 1.092 258 L CA 0.655 55.499 54.840 0.007 0.000 0.831 258 L CB 0.574 42.748 42.059 0.193 0.000 1.159 258 L HN 0.564 nan 8.230 nan 0.000 0.442 259 Q N 5.829 125.600 119.800 -0.049 0.000 2.394 259 Q HA 0.698 5.038 4.340 -0.001 0.000 0.273 259 Q C -1.074 174.946 176.000 0.033 0.000 1.089 259 Q CA -0.786 55.005 55.803 -0.019 0.000 0.812 259 Q CB 2.919 31.619 28.738 -0.064 0.000 1.353 259 Q HN 0.785 nan 8.270 nan 0.000 0.438 260 I N -2.267 118.309 120.570 0.010 0.000 2.892 260 I HA 0.550 4.720 4.170 -0.001 0.000 0.306 260 I C -1.102 174.997 176.117 -0.030 0.000 1.078 260 I CA -1.120 60.194 61.300 0.023 0.000 1.032 260 I CB 2.258 40.251 38.000 -0.012 0.000 1.229 260 I HN 0.459 nan 8.210 nan 0.000 0.435 261 Q N 3.614 123.406 119.800 -0.012 0.000 2.333 261 Q HA 0.611 4.950 4.340 -0.001 0.000 0.267 261 Q C -1.335 174.730 176.000 0.108 0.000 1.012 261 Q CA -0.841 55.016 55.803 0.090 0.000 0.824 261 Q CB 3.072 31.940 28.738 0.216 0.000 1.290 261 Q HN 0.481 nan 8.270 nan 0.000 0.449 262 I N 3.018 123.649 120.570 0.103 0.000 2.433 262 I HA 0.394 4.563 4.170 -0.001 0.000 0.292 262 I C -0.570 175.628 176.117 0.135 0.000 1.001 262 I CA -0.476 60.827 61.300 0.005 0.000 1.119 262 I CB 1.762 39.456 38.000 -0.510 0.000 1.289 262 I HN 0.694 nan 8.210 nan 0.000 0.438 263 M N 8.836 128.496 119.600 0.101 0.000 2.022 263 M HA 0.457 4.937 4.480 -0.001 0.000 0.298 263 M C -2.682 173.723 176.300 0.175 0.000 0.909 263 M CA -1.474 53.790 55.300 -0.059 0.000 0.914 263 M CB 1.895 34.032 32.600 -0.772 0.000 1.486 263 M HN 0.106 nan 8.290 nan 0.000 0.415 264 P HA -0.052 nan 4.420 nan 0.000 0.264 264 P C 0.290 177.579 177.300 -0.019 0.000 1.183 264 P CA 0.486 63.670 63.100 0.142 0.000 0.763 264 P CB 0.502 32.309 31.700 0.179 0.000 0.807 265 E N 4.273 124.310 120.200 -0.271 0.000 2.113 265 E HA -0.362 3.988 4.350 -0.001 0.000 0.210 265 E C 1.535 178.170 176.600 0.058 0.000 1.040 265 E CA 2.337 58.591 56.400 -0.242 0.000 0.847 265 E CB -0.051 29.414 29.700 -0.391 0.000 0.755 265 E HN 0.493 nan 8.360 nan 0.000 0.459 266 K N 0.042 120.437 120.400 -0.008 0.000 2.209 266 K HA -0.159 4.161 4.320 -0.001 0.000 0.204 266 K C 1.700 178.324 176.600 0.040 0.000 1.048 266 K CA 1.733 58.035 56.287 0.025 0.000 0.940 266 K CB -0.118 32.379 32.500 -0.006 0.000 0.729 266 K HN 0.193 nan 8.250 nan 0.000 0.451 267 E N 0.716 120.945 120.200 0.048 0.000 2.347 267 E HA -0.068 4.281 4.350 -0.001 0.000 0.196 267 E C 1.976 178.548 176.600 -0.047 0.000 1.008 267 E CA 0.577 56.986 56.400 0.015 0.000 0.852 267 E CB -0.040 29.691 29.700 0.053 0.000 0.783 267 E HN 0.531 nan 8.360 nan 0.000 0.505 268 A N 1.423 124.258 122.820 0.024 0.000 1.978 268 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 268 A C 2.256 179.758 177.584 -0.137 0.000 1.170 268 A CA 1.772 53.748 52.037 -0.102 0.000 0.636 268 A CB -0.349 18.708 19.000 0.095 0.000 0.810 268 A HN 0.300 nan 8.150 nan 0.000 0.448 269 S N -1.298 114.375 115.700 -0.046 0.000 2.575 269 S HA -0.008 4.461 4.470 -0.001 0.000 0.215 269 S C 1.448 175.992 174.600 -0.093 0.000 0.966 269 S CA 1.033 59.197 58.200 -0.059 0.000 0.911 269 S CB -0.560 62.634 63.200 -0.010 0.000 0.780 269 S HN 0.722 nan 8.310 nan 0.000 0.514 270 T N -0.147 114.338 114.554 -0.115 0.000 3.037 270 T HA 0.253 4.603 4.350 -0.001 0.000 0.251 270 T C 0.634 175.227 174.700 -0.180 0.000 1.079 270 T CA 0.314 62.346 62.100 -0.113 0.000 1.067 270 T CB -0.705 68.119 68.868 -0.075 0.000 0.948 270 T HN 0.428 nan 8.240 nan 0.000 0.496 271 V N 1.106 120.833 119.914 -0.312 0.000 2.686 271 V HA 0.443 4.562 4.120 -0.001 0.000 0.295 271 V C -1.375 174.430 176.094 -0.483 0.000 1.055 271 V CA -1.818 60.162 62.300 -0.532 0.000 1.050 271 V CB 0.662 31.835 31.823 -1.083 0.000 0.984 271 V HN 0.106 nan 8.190 nan 0.000 0.482 272 P HA 0.153 nan 4.420 nan 0.000 0.256 272 P C -0.611 176.679 177.300 -0.017 0.000 1.335 272 P CA 0.514 63.547 63.100 -0.111 0.000 0.808 272 P CB -0.593 31.117 31.700 0.016 0.000 1.305 273 Y N -3.197 117.068 120.300 -0.058 0.000 2.644 273 Y HA 0.616 5.165 4.550 -0.001 0.000 0.338 273 Y C -0.393 175.451 175.900 -0.094 0.000 1.119 273 Y CA -2.099 55.968 58.100 -0.055 0.000 1.060 273 Y CB -0.087 38.356 38.460 -0.028 0.000 1.294 273 Y HN -0.366 nan 8.280 nan 0.000 0.472 274 N N 3.347 122.132 118.700 0.141 0.000 2.415 274 N HA 0.266 5.005 4.740 -0.001 0.000 0.246 274 N C -1.911 173.621 175.510 0.038 0.000 1.078 274 N CA -2.680 50.385 53.050 0.025 0.000 0.942 274 N CB 0.872 39.402 38.487 0.072 0.000 1.140 274 N HN 0.546 nan 8.380 nan 0.000 0.501 275 P HA -0.008 nan 4.420 nan 0.000 0.242 275 P C -0.244 176.847 177.300 -0.348 0.000 1.197 275 P CA 0.682 63.624 63.100 -0.264 0.000 0.765 275 P CB -0.078 31.133 31.700 -0.816 0.000 0.936 276 F N -0.484 119.487 119.950 0.035 0.000 2.772 276 F HA 0.297 4.823 4.527 -0.001 0.000 0.302 276 F C 0.615 176.416 175.800 0.001 0.000 1.136 276 F CA -1.226 56.746 58.000 -0.048 0.000 1.322 276 F CB -0.191 38.703 39.000 -0.176 0.000 0.967 276 F HN -0.186 nan 8.300 nan 0.000 0.513 277 D N 1.388 121.873 120.400 0.142 0.000 2.313 277 D HA 0.089 4.728 4.640 -0.001 0.000 0.239 277 D C 1.109 177.455 176.300 0.077 0.000 1.142 277 D CA -0.097 53.968 54.000 0.109 0.000 0.847 277 D CB 1.366 42.226 40.800 0.099 0.000 1.082 277 D HN 0.158 nan 8.370 nan 0.000 0.480 278 L N 4.113 125.382 121.223 0.077 0.000 2.362 278 L HA -0.070 4.269 4.340 -0.001 0.000 0.219 278 L C 1.969 178.844 176.870 0.008 0.000 1.134 278 L CA 1.750 56.607 54.840 0.028 0.000 0.807 278 L CB -0.616 41.483 42.059 0.067 0.000 0.927 278 L HN 0.585 nan 8.230 nan 0.000 0.447 279 T N -4.169 110.417 114.554 0.053 0.000 3.188 279 T HA 0.167 4.516 4.350 -0.001 0.000 0.250 279 T C 0.647 175.443 174.700 0.160 0.000 1.077 279 T CA -0.167 61.977 62.100 0.073 0.000 0.967 279 T CB -0.155 68.781 68.868 0.113 0.000 1.006 279 T HN 0.214 nan 8.240 nan 0.000 0.552 280 K N 0.714 121.170 120.400 0.094 0.000 2.444 280 K HA 0.707 5.026 4.320 -0.001 0.000 0.252 280 K C -1.060 175.566 176.600 0.043 0.000 0.993 280 K CA -1.123 55.240 56.287 0.127 0.000 0.847 280 K CB 2.883 35.435 32.500 0.088 0.000 1.340 280 K HN 0.109 nan 8.250 nan 0.000 0.446 281 V N -2.304 117.656 119.914 0.077 0.000 3.001 281 V HA 0.610 4.729 4.120 -0.001 0.000 0.314 281 V C -1.291 174.891 176.094 0.147 0.000 1.099 281 V CA -1.031 61.292 62.300 0.038 0.000 0.989 281 V CB 1.340 33.206 31.823 0.071 0.000 1.040 281 V HN 0.626 nan 8.190 nan 0.000 0.434 282 W N 1.207 122.507 121.300 0.000 0.000 2.272 282 W HA 0.580 5.239 4.660 -0.001 0.000 0.318 282 W C -2.390 174.197 176.519 0.114 0.000 1.255 282 W CA -2.511 54.835 57.345 0.003 0.000 1.200 282 W CB -0.278 29.215 29.460 0.055 0.000 1.170 282 W HN 0.411 nan 8.180 nan 0.000 0.549 283 P HA -0.034 nan 4.420 nan 0.000 0.267 283 P C 0.658 178.164 177.300 0.344 0.000 1.209 283 P CA 0.455 63.696 63.100 0.235 0.000 0.763 283 P CB 0.556 32.330 31.700 0.123 0.000 0.816 284 H N 2.986 122.137 119.070 0.135 0.000 2.387 284 H HA -0.142 4.413 4.556 -0.001 0.000 0.299 284 H C 1.987 177.354 175.328 0.065 0.000 1.099 284 H CA 2.065 58.177 56.048 0.106 0.000 1.315 284 H CB -0.609 29.186 29.762 0.056 0.000 1.380 284 H HN 0.465 nan 8.280 nan 0.000 0.513 285 A N 0.471 123.392 122.820 0.168 0.000 1.940 285 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 285 A C 1.701 179.275 177.584 -0.016 0.000 1.176 285 A CA 2.134 54.211 52.037 0.065 0.000 0.631 285 A CB -0.150 18.880 19.000 0.049 0.000 0.814 285 A HN 0.376 nan 8.150 nan 0.000 0.446 286 D N -2.611 117.757 120.400 -0.053 0.000 2.277 286 D HA 0.106 4.745 4.640 -0.001 0.000 0.209 286 D C -0.556 175.374 176.300 -0.617 0.000 0.970 286 D CA 0.772 54.577 54.000 -0.324 0.000 0.874 286 D CB 0.048 40.639 40.800 -0.349 0.000 0.982 286 D HN 0.505 nan 8.370 nan 0.000 0.504 287 Y N 1.326 121.671 120.300 0.075 0.000 2.594 287 Y HA 0.292 4.841 4.550 -0.001 0.000 0.338 287 Y C -2.236 173.656 175.900 -0.013 0.000 1.019 287 Y CA -2.511 55.632 58.100 0.072 0.000 1.306 287 Y CB 1.557 40.140 38.460 0.205 0.000 1.094 287 Y HN -0.169 nan 8.280 nan 0.000 0.534 288 P HA 0.086 nan 4.420 nan 0.000 0.272 288 P C -0.609 176.621 177.300 -0.117 0.000 1.223 288 P CA -0.320 62.737 63.100 -0.071 0.000 0.784 288 P CB 1.608 33.288 31.700 -0.033 0.000 0.923 289 L N 2.863 123.945 121.223 -0.235 0.000 2.331 289 L HA 0.299 4.639 4.340 -0.001 0.000 0.278 289 L C 0.910 177.700 176.870 -0.134 0.000 1.106 289 L CA 0.620 55.317 54.840 -0.238 0.000 0.824 289 L CB -0.150 41.694 42.059 -0.360 0.000 1.142 289 L HN 0.321 nan 8.230 nan 0.000 0.443 290 M N 2.466 122.005 119.600 -0.101 0.000 2.364 290 M HA 0.357 4.836 4.480 -0.001 0.000 0.334 290 M C -0.576 175.656 176.300 -0.114 0.000 1.107 290 M CA -0.818 54.429 55.300 -0.089 0.000 0.988 290 M CB 1.658 34.241 32.600 -0.029 0.000 1.673 290 M HN 0.449 nan 8.290 nan 0.000 0.441 291 D N 1.366 121.630 120.400 -0.227 0.000 2.382 291 D HA 0.163 4.803 4.640 -0.001 0.000 0.240 291 D C 0.407 176.629 176.300 -0.130 0.000 1.146 291 D CA 0.173 54.015 54.000 -0.264 0.000 0.897 291 D CB 1.962 42.389 40.800 -0.621 0.000 1.197 291 D HN 0.325 nan 8.370 nan 0.000 0.432 292 V N -0.035 119.920 119.914 0.069 0.000 3.177 292 V HA 0.413 4.533 4.120 -0.001 0.000 0.219 292 V C 0.806 177.081 176.094 0.301 0.000 1.344 292 V CA 0.697 63.097 62.300 0.167 0.000 1.324 292 V CB 0.634 32.511 31.823 0.090 0.000 1.165 292 V HN 0.776 nan 8.190 nan 0.000 0.510 293 G N -0.380 108.603 108.800 0.305 0.000 2.356 293 G HA2 0.475 4.434 3.960 -0.001 0.000 0.281 293 G HA3 0.475 4.434 3.960 -0.001 0.000 0.281 293 G C -2.049 172.961 174.900 0.183 0.000 1.246 293 G CA 0.130 45.291 45.100 0.103 0.000 0.889 293 G HN 0.557 nan 8.290 nan 0.000 0.486 294 Y N -1.360 118.838 120.300 -0.169 0.000 2.625 294 Y HA 0.844 5.393 4.550 -0.001 0.000 0.338 294 Y C -1.211 174.824 175.900 0.224 0.000 1.123 294 Y CA -2.306 55.879 58.100 0.141 0.000 1.046 294 Y CB 1.489 40.007 38.460 0.096 0.000 1.299 294 Y HN 1.238 nan 8.280 nan 0.000 0.464 295 F N 0.184 120.525 119.950 0.651 0.000 2.565 295 F HA 0.856 5.382 4.527 -0.001 0.000 0.313 295 F C -1.360 174.798 175.800 0.597 0.000 1.091 295 F CA -1.161 57.193 58.000 0.589 0.000 0.915 295 F CB 2.272 41.701 39.000 0.715 0.000 1.208 295 F HN 0.712 nan 8.300 nan 0.000 0.453 296 E N 4.128 124.683 120.200 0.592 0.000 2.272 296 E HA 0.576 4.925 4.350 -0.001 0.000 0.269 296 E C -1.848 174.989 176.600 0.394 0.000 0.877 296 E CA -1.015 55.633 56.400 0.412 0.000 0.755 296 E CB 2.484 32.385 29.700 0.336 0.000 1.192 296 E HN 0.818 nan 8.360 nan 0.000 0.422 297 L N 3.658 125.098 121.223 0.362 0.000 2.261 297 L HA 0.285 4.624 4.340 -0.001 0.000 0.289 297 L C 0.009 176.860 176.870 -0.032 0.000 1.059 297 L CA -0.584 54.381 54.840 0.208 0.000 0.816 297 L CB 0.062 42.280 42.059 0.265 0.000 1.191 297 L HN 0.692 nan 8.230 nan 0.000 0.431 298 N N 2.370 120.915 118.700 -0.258 0.000 2.170 298 N HA 0.118 4.857 4.740 -0.001 0.000 0.222 298 N C -0.012 175.198 175.510 -0.500 0.000 1.218 298 N CA -0.526 51.963 53.050 -0.934 0.000 0.889 298 N CB 0.652 38.546 38.487 -0.987 0.000 1.083 298 N HN 0.500 nan 8.380 nan 0.000 0.520 299 R N 0.206 120.631 120.500 -0.126 0.000 2.508 299 R HA 0.294 4.634 4.340 -0.001 0.000 0.283 299 R C -1.654 174.726 176.300 0.134 0.000 1.120 299 R CA -0.470 55.638 56.100 0.013 0.000 0.958 299 R CB 0.760 31.091 30.300 0.051 0.000 1.215 299 R HN 0.114 nan 8.270 nan 0.000 0.427 300 N N 4.636 123.374 118.700 0.063 0.000 2.513 300 N HA 0.174 4.914 4.740 -0.001 0.000 0.268 300 N C -2.402 173.279 175.510 0.286 0.000 1.180 300 N CA -1.122 51.993 53.050 0.108 0.000 0.948 300 N CB 0.862 39.246 38.487 -0.172 0.000 1.083 300 N HN 0.304 nan 8.380 nan 0.000 0.455 301 P HA -0.001 nan 4.420 nan 0.000 0.267 301 P C -0.146 177.354 177.300 0.333 0.000 1.200 301 P CA -0.060 63.331 63.100 0.485 0.000 0.772 301 P CB 0.645 32.592 31.700 0.412 0.000 0.855 302 D N 0.253 120.795 120.400 0.237 0.000 2.144 302 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 302 D C 0.497 176.914 176.300 0.195 0.000 0.978 302 D CA 1.685 55.790 54.000 0.175 0.000 0.833 302 D CB -0.043 40.810 40.800 0.089 0.000 0.961 302 D HN 0.352 nan 8.370 nan 0.000 0.470 303 N N -0.791 118.026 118.700 0.195 0.000 2.480 303 N HA -0.038 4.701 4.740 -0.001 0.000 0.289 303 N C 0.001 175.644 175.510 0.222 0.000 1.073 303 N CA -0.355 52.817 53.050 0.204 0.000 0.885 303 N CB 1.278 39.862 38.487 0.161 0.000 1.421 303 N HN -0.148 nan 8.380 nan 0.000 0.503 304 Y N 4.370 124.770 120.300 0.166 0.000 2.097 304 Y HA -0.251 4.298 4.550 -0.001 0.000 0.282 304 Y C 1.809 177.796 175.900 0.144 0.000 1.152 304 Y CA 1.974 60.168 58.100 0.156 0.000 1.136 304 Y CB -0.207 38.337 38.460 0.141 0.000 0.975 304 Y HN 0.670 nan 8.280 nan 0.000 0.498 305 F N 0.153 120.213 119.950 0.183 0.000 2.075 305 F HA -0.232 4.295 4.527 -0.001 0.000 0.297 305 F C 2.497 178.272 175.800 -0.042 0.000 1.113 305 F CA 2.159 60.205 58.000 0.075 0.000 1.218 305 F CB -0.847 38.214 39.000 0.103 0.000 0.984 305 F HN -0.014 nan 8.300 nan 0.000 0.472 306 S N 0.057 115.790 115.700 0.054 0.000 2.356 306 S HA -0.193 4.276 4.470 -0.001 0.000 0.223 306 S C 1.564 176.033 174.600 -0.219 0.000 1.032 306 S CA 1.637 59.787 58.200 -0.083 0.000 1.005 306 S CB -0.381 62.852 63.200 0.055 0.000 0.867 306 S HN 0.497 nan 8.310 nan 0.000 0.449 307 D N -0.048 120.245 120.400 -0.178 0.000 2.277 307 D HA 0.117 4.756 4.640 -0.001 0.000 0.209 307 D C 1.825 177.866 176.300 -0.433 0.000 0.970 307 D CA 0.591 54.425 54.000 -0.276 0.000 0.874 307 D CB 0.117 40.892 40.800 -0.043 0.000 0.982 307 D HN 0.273 nan 8.370 nan 0.000 0.504 308 V N 0.574 120.248 119.914 -0.399 0.000 2.599 308 V HA -0.039 4.081 4.120 -0.001 0.000 0.237 308 V C 2.277 178.108 176.094 -0.439 0.000 1.081 308 V CA 0.614 62.667 62.300 -0.412 0.000 1.107 308 V CB -0.112 31.244 31.823 -0.778 0.000 0.808 308 V HN -0.060 nan 8.190 nan 0.000 0.486 309 E N 0.981 120.844 120.200 -0.562 0.000 2.085 309 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 309 E C 2.122 178.493 176.600 -0.380 0.000 0.994 309 E CA 1.664 57.863 56.400 -0.335 0.000 0.801 309 E CB -0.208 29.381 29.700 -0.185 0.000 0.743 309 E HN 0.621 nan 8.360 nan 0.000 0.453 310 Q N -0.376 119.096 119.800 -0.547 0.000 2.444 310 Q HA 0.241 4.580 4.340 -0.001 0.000 0.206 310 Q C -0.097 175.666 176.000 -0.394 0.000 0.948 310 Q CA 0.185 55.694 55.803 -0.490 0.000 0.946 310 Q CB 0.409 28.804 28.738 -0.571 0.000 1.027 310 Q HN 0.218 nan 8.270 nan 0.000 0.513 311 A N 1.082 123.679 122.820 -0.372 0.000 2.511 311 A HA 0.436 4.755 4.320 -0.001 0.000 0.242 311 A C -0.135 177.207 177.584 -0.403 0.000 1.069 311 A CA 0.212 51.993 52.037 -0.426 0.000 0.763 311 A CB 0.226 19.051 19.000 -0.291 0.000 1.001 311 A HN 0.271 nan 8.150 nan 0.000 0.498 312 A N 2.620 125.069 122.820 -0.619 0.000 2.310 312 A HA 0.702 5.021 4.320 -0.001 0.000 0.304 312 A C -0.835 176.364 177.584 -0.640 0.000 1.231 312 A CA -0.399 51.184 52.037 -0.758 0.000 0.799 312 A CB 0.254 18.543 19.000 -1.185 0.000 1.162 312 A HN 0.629 nan 8.150 nan 0.000 0.486 313 F N 1.306 121.170 119.950 -0.143 0.000 2.458 313 F HA 0.760 5.286 4.527 -0.001 0.000 0.330 313 F C 0.811 176.700 175.800 0.149 0.000 1.082 313 F CA -0.299 57.668 58.000 -0.054 0.000 0.995 313 F CB 2.456 41.374 39.000 -0.138 0.000 1.170 313 F HN 0.478 nan 8.300 nan 0.000 0.478 314 S N 2.508 118.301 115.700 0.155 0.000 2.566 314 S HA 0.409 4.879 4.470 -0.001 0.000 0.273 314 S C -2.477 172.051 174.600 -0.121 0.000 1.157 314 S CA -1.245 56.914 58.200 -0.068 0.000 0.938 314 S CB 1.801 65.088 63.200 0.146 0.000 1.087 314 S HN 0.237 nan 8.310 nan 0.000 0.474 315 P HA 0.052 nan 4.420 nan 0.000 0.225 315 P C 1.139 178.595 177.300 0.259 0.000 1.148 315 P CA 1.065 64.177 63.100 0.019 0.000 0.779 315 P CB 0.106 31.759 31.700 -0.079 0.000 0.780 316 A N -0.719 122.179 122.820 0.130 0.000 2.121 316 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 316 A C 1.107 178.890 177.584 0.332 0.000 1.154 316 A CA 0.753 52.945 52.037 0.257 0.000 0.679 316 A CB -1.337 17.724 19.000 0.102 0.000 0.795 316 A HN 0.259 nan 8.150 nan 0.000 0.458 317 N N 1.014 119.854 118.700 0.232 0.000 2.895 317 N HA 0.374 5.114 4.740 -0.001 0.000 0.277 317 N C -0.238 175.436 175.510 0.273 0.000 1.185 317 N CA -0.231 52.935 53.050 0.193 0.000 1.106 317 N CB -0.021 38.530 38.487 0.106 0.000 1.422 317 N HN 0.647 nan 8.380 nan 0.000 0.521 318 I N -1.890 118.826 120.570 0.243 0.000 3.076 318 I HA 0.705 4.875 4.170 -0.001 0.000 0.313 318 I C 0.122 176.262 176.117 0.037 0.000 1.053 318 I CA -1.252 60.153 61.300 0.175 0.000 1.048 318 I CB 1.265 39.258 38.000 -0.012 0.000 1.264 318 I HN -0.120 nan 8.210 nan 0.000 0.498 319 V N -1.437 118.424 119.914 -0.087 0.000 3.074 319 V HA 0.671 4.790 4.120 -0.001 0.000 0.314 319 V C -2.808 173.190 176.094 -0.159 0.000 1.117 319 V CA -2.613 59.607 62.300 -0.133 0.000 1.014 319 V CB 1.039 32.770 31.823 -0.154 0.000 1.057 319 V HN 0.619 nan 8.190 nan 0.000 0.438 320 P HA 0.324 nan 4.420 nan 0.000 0.264 320 P C 0.961 178.230 177.300 -0.052 0.000 1.183 320 P CA 2.090 65.165 63.100 -0.041 0.000 0.763 320 P CB 0.659 32.398 31.700 0.065 0.000 0.807 321 G N 2.034 110.825 108.800 -0.015 0.000 2.213 321 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.236 321 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.236 321 G C -0.000 174.904 174.900 0.008 0.000 0.991 321 G CA -0.264 44.816 45.100 -0.034 0.000 0.629 321 G HN 0.493 nan 8.290 nan 0.000 0.517 322 I N 0.683 121.244 120.570 -0.014 0.000 2.533 322 I HA 0.701 4.871 4.170 -0.001 0.000 0.290 322 I C 0.013 176.115 176.117 -0.025 0.000 1.056 322 I CA -0.676 60.680 61.300 0.094 0.000 1.057 322 I CB 2.140 40.052 38.000 -0.146 0.000 1.240 322 I HN 0.143 nan 8.210 nan 0.000 0.423 323 S N 3.660 119.378 115.700 0.030 0.000 2.903 323 S HA 0.717 5.186 4.470 -0.001 0.000 0.314 323 S C -0.756 173.811 174.600 -0.056 0.000 1.177 323 S CA -0.421 57.625 58.200 -0.255 0.000 0.859 323 S CB 1.001 64.082 63.200 -0.198 0.000 1.265 323 S HN 0.301 nan 8.310 nan 0.000 0.584 324 F N 1.861 121.968 119.950 0.260 0.000 2.266 324 F HA 0.756 5.282 4.527 -0.001 0.000 0.306 324 F C 1.071 176.996 175.800 0.208 0.000 1.016 324 F CA -0.161 57.946 58.000 0.178 0.000 1.127 324 F CB 0.010 39.048 39.000 0.063 0.000 1.735 324 F HN 0.632 nan 8.300 nan 0.000 0.540 325 S N -0.919 114.929 115.700 0.248 0.000 2.588 325 S HA 0.415 4.884 4.470 -0.001 0.000 0.269 325 S C -2.689 171.753 174.600 -0.263 0.000 1.157 325 S CA -1.075 57.131 58.200 0.009 0.000 0.824 325 S CB 1.676 64.830 63.200 -0.076 0.000 1.126 325 S HN 0.289 nan 8.310 nan 0.000 0.464 326 P HA 0.044 nan 4.420 nan 0.000 0.244 326 P C -0.132 176.943 177.300 -0.375 0.000 1.211 326 P CA 0.263 63.056 63.100 -0.513 0.000 0.760 326 P CB -0.524 30.752 31.700 -0.706 0.000 0.961 327 D N 1.519 121.737 120.400 -0.303 0.000 2.502 327 D HA -0.066 4.573 4.640 -0.001 0.000 0.249 327 D C 1.140 177.376 176.300 -0.106 0.000 1.188 327 D CA 0.367 54.314 54.000 -0.087 0.000 0.890 327 D CB 0.750 41.536 40.800 -0.023 0.000 1.140 327 D HN 0.046 nan 8.370 nan 0.000 0.505 328 K N 3.571 123.948 120.400 -0.038 0.000 2.113 328 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 328 K C 1.947 178.536 176.600 -0.018 0.000 1.047 328 K CA 1.004 57.279 56.287 -0.019 0.000 0.928 328 K CB -0.029 32.494 32.500 0.038 0.000 0.716 328 K HN 0.523 nan 8.250 nan 0.000 0.446 329 M N 0.451 120.068 119.600 0.028 0.000 2.132 329 M HA -0.110 4.370 4.480 -0.001 0.000 0.263 329 M C 2.336 178.579 176.300 -0.094 0.000 1.065 329 M CA 1.112 56.456 55.300 0.075 0.000 1.122 329 M CB -0.834 31.919 32.600 0.255 0.000 1.365 329 M HN 0.159 nan 8.290 nan 0.000 0.411 330 L N 0.984 121.967 121.223 -0.401 0.000 2.046 330 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 330 L C 2.434 179.067 176.870 -0.394 0.000 1.077 330 L CA 1.847 56.229 54.840 -0.764 0.000 0.747 330 L CB -0.890 40.567 42.059 -1.003 0.000 0.896 330 L HN 0.278 nan 8.230 nan 0.000 0.432 331 Q N -0.045 119.586 119.800 -0.283 0.000 2.077 331 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 331 Q C 2.141 178.054 176.000 -0.145 0.000 0.989 331 Q CA 1.813 57.485 55.803 -0.219 0.000 0.853 331 Q CB -0.994 27.654 28.738 -0.148 0.000 0.907 331 Q HN 0.687 nan 8.270 nan 0.000 0.418 332 G N 0.864 109.612 108.800 -0.086 0.000 2.422 332 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 332 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 332 G C 1.500 176.405 174.900 0.009 0.000 1.146 332 G CA 0.479 45.572 45.100 -0.013 0.000 0.769 332 G HN 0.292 nan 8.290 nan 0.000 0.547 333 R N -0.139 120.332 120.500 -0.048 0.000 2.189 333 R HA 0.147 4.486 4.340 -0.001 0.000 0.223 333 R C 2.348 178.666 176.300 0.030 0.000 1.092 333 R CA 0.336 56.466 56.100 0.050 0.000 0.989 333 R CB -0.330 29.988 30.300 0.030 0.000 0.876 333 R HN 0.338 nan 8.270 nan 0.000 0.457 334 L N -0.262 120.896 121.223 -0.108 0.000 2.353 334 L HA -0.147 4.192 4.340 -0.001 0.000 0.220 334 L C 1.972 178.841 176.870 -0.003 0.000 1.133 334 L CA 0.955 55.698 54.840 -0.163 0.000 0.798 334 L CB -0.283 41.562 42.059 -0.357 0.000 0.922 334 L HN 0.183 nan 8.230 nan 0.000 0.445 335 F N -0.528 119.373 119.950 -0.082 0.000 2.315 335 F HA -0.009 4.517 4.527 -0.001 0.000 0.284 335 F C 2.682 178.453 175.800 -0.048 0.000 1.049 335 F CA 1.053 59.019 58.000 -0.058 0.000 1.323 335 F CB -0.381 38.583 39.000 -0.061 0.000 1.113 335 F HN -0.140 nan 8.300 nan 0.000 0.544 336 S N -0.184 115.350 115.700 -0.278 0.000 2.372 336 S HA -0.278 4.192 4.470 -0.001 0.000 0.227 336 S C 2.080 176.382 174.600 -0.496 0.000 1.044 336 S CA 2.192 60.124 58.200 -0.447 0.000 1.050 336 S CB -0.776 62.257 63.200 -0.278 0.000 0.901 336 S HN 0.515 nan 8.310 nan 0.000 0.447 337 Y N 1.351 121.393 120.300 -0.429 0.000 2.114 337 Y HA 0.030 4.580 4.550 -0.001 0.000 0.284 337 Y C 2.911 178.297 175.900 -0.857 0.000 1.143 337 Y CA 1.114 58.857 58.100 -0.595 0.000 1.135 337 Y CB -1.303 36.901 38.460 -0.426 0.000 0.980 337 Y HN 0.382 nan 8.280 nan 0.000 0.499 338 G N -0.598 108.002 108.800 -0.334 0.000 2.440 338 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.218 338 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.218 338 G C 1.294 176.057 174.900 -0.228 0.000 1.154 338 G CA 1.451 46.439 45.100 -0.186 0.000 0.767 338 G HN 0.427 nan 8.290 nan 0.000 0.552 339 D N 0.676 120.838 120.400 -0.396 0.000 2.097 339 D HA 0.003 4.643 4.640 -0.001 0.000 0.195 339 D C 2.720 178.878 176.300 -0.236 0.000 0.989 339 D CA 1.583 55.350 54.000 -0.389 0.000 0.827 339 D CB -0.384 39.922 40.800 -0.824 0.000 0.966 339 D HN 0.241 nan 8.370 nan 0.000 0.456 340 A N -0.692 121.940 122.820 -0.314 0.000 1.902 340 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 340 A C 2.013 179.573 177.584 -0.040 0.000 1.181 340 A CA 1.787 53.721 52.037 -0.172 0.000 0.623 340 A CB -1.079 17.757 19.000 -0.274 0.000 0.818 340 A HN 0.501 nan 8.150 nan 0.000 0.443 341 H N -0.812 118.178 119.070 -0.133 0.000 2.321 341 H HA -0.092 4.463 4.556 -0.001 0.000 0.300 341 H C 2.446 177.673 175.328 -0.167 0.000 1.087 341 H CA 1.359 57.259 56.048 -0.247 0.000 1.319 341 H CB -0.038 29.421 29.762 -0.505 0.000 1.379 341 H HN 0.400 nan 8.280 nan 0.000 0.501 342 R N -0.102 120.450 120.500 0.087 0.000 2.120 342 R HA -0.187 4.153 4.340 -0.001 0.000 0.234 342 R C 2.071 178.437 176.300 0.109 0.000 1.123 342 R CA 1.567 57.747 56.100 0.134 0.000 0.975 342 R CB -0.288 30.084 30.300 0.119 0.000 0.866 342 R HN 0.424 nan 8.270 nan 0.000 0.446 343 Y N 1.177 121.471 120.300 -0.010 0.000 2.206 343 Y HA -0.083 4.467 4.550 -0.001 0.000 0.292 343 Y C 2.473 178.371 175.900 -0.004 0.000 1.123 343 Y CA 1.231 59.325 58.100 -0.010 0.000 1.142 343 Y CB -0.111 38.334 38.460 -0.025 0.000 1.006 343 Y HN -0.194 nan 8.280 nan 0.000 0.518 344 R N -0.104 120.330 120.500 -0.109 0.000 2.092 344 R HA -0.052 4.288 4.340 -0.001 0.000 0.231 344 R C 1.478 177.679 176.300 -0.165 0.000 1.119 344 R CA 1.995 57.984 56.100 -0.184 0.000 0.970 344 R CB -0.185 30.106 30.300 -0.014 0.000 0.864 344 R HN 0.492 nan 8.270 nan 0.000 0.440 345 L N -1.105 120.053 121.223 -0.108 0.000 2.672 345 L HA 0.394 4.733 4.340 -0.001 0.000 0.236 345 L C 0.542 177.396 176.870 -0.027 0.000 1.092 345 L CA 0.109 54.898 54.840 -0.084 0.000 0.887 345 L CB 1.080 43.069 42.059 -0.118 0.000 1.168 345 L HN 0.432 nan 8.230 nan 0.000 0.502 346 G N -0.191 108.610 108.800 0.002 0.000 2.629 346 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.686 346 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.686 346 G C 0.063 175.033 174.900 0.118 0.000 1.232 346 G CA -0.367 44.751 45.100 0.029 0.000 0.803 346 G HN -0.274 nan 8.290 nan 0.000 0.638 347 V N 0.477 120.436 119.914 0.075 0.000 2.490 347 V HA -0.057 4.063 4.120 -0.001 0.000 0.250 347 V C 1.715 177.792 176.094 -0.028 0.000 1.061 347 V CA 2.325 64.664 62.300 0.066 0.000 1.064 347 V CB -0.321 31.517 31.823 0.024 0.000 0.670 347 V HN 0.636 nan 8.190 nan 0.000 0.461 348 N N 0.335 119.001 118.700 -0.058 0.000 2.466 348 N HA 0.050 4.790 4.740 -0.001 0.000 0.251 348 N C 1.023 176.300 175.510 -0.388 0.000 1.164 348 N CA 0.503 53.436 53.050 -0.195 0.000 0.888 348 N CB -0.188 38.206 38.487 -0.154 0.000 1.177 348 N HN 0.867 nan 8.380 nan 0.000 0.498 349 H N -0.982 117.998 119.070 -0.149 0.000 2.543 349 H HA -0.067 4.488 4.556 -0.001 0.000 0.286 349 H C 1.820 177.015 175.328 -0.221 0.000 1.037 349 H CA 1.083 57.016 56.048 -0.191 0.000 1.250 349 H CB -0.460 29.205 29.762 -0.161 0.000 1.373 349 H HN 0.422 nan 8.280 nan 0.000 0.580 350 H N 0.645 119.516 119.070 -0.332 0.000 2.489 350 H HA -0.076 4.480 4.556 -0.001 0.000 0.293 350 H C 1.112 176.343 175.328 -0.162 0.000 1.066 350 H CA 1.165 57.070 56.048 -0.239 0.000 1.305 350 H CB -0.122 29.485 29.762 -0.259 0.000 1.386 350 H HN 0.553 nan 8.280 nan 0.000 0.551 351 Q N 0.950 120.401 119.800 -0.582 0.000 2.297 351 Q HA 0.134 4.473 4.340 -0.001 0.000 0.204 351 Q C 0.704 176.609 176.000 -0.159 0.000 0.962 351 Q CA 0.205 55.826 55.803 -0.303 0.000 0.879 351 Q CB 0.293 28.830 28.738 -0.334 0.000 0.947 351 Q HN 0.479 nan 8.270 nan 0.000 0.462 352 I N 2.615 123.082 120.570 -0.173 0.000 2.587 352 I HA -0.053 4.116 4.170 -0.001 0.000 0.284 352 I C -1.616 174.411 176.117 -0.150 0.000 1.134 352 I CA -1.436 59.774 61.300 -0.151 0.000 1.410 352 I CB 0.570 38.462 38.000 -0.181 0.000 1.392 352 I HN -0.085 nan 8.210 nan 0.000 0.545 353 P HA -0.260 nan 4.420 nan 0.000 0.217 353 P C 1.752 178.946 177.300 -0.177 0.000 1.162 353 P CA 1.150 64.168 63.100 -0.136 0.000 0.901 353 P CB 0.185 31.811 31.700 -0.123 0.000 0.793 354 V N -0.532 119.263 119.914 -0.198 0.000 2.594 354 V HA -0.201 3.919 4.120 -0.001 0.000 0.253 354 V C 1.609 177.581 176.094 -0.204 0.000 1.069 354 V CA 2.053 64.209 62.300 -0.239 0.000 1.082 354 V CB -0.961 30.541 31.823 -0.535 0.000 0.680 354 V HN 0.117 nan 8.190 nan 0.000 0.469 355 N N 0.456 119.022 118.700 -0.223 0.000 2.405 355 N HA 0.183 4.923 4.740 -0.001 0.000 0.175 355 N C 0.765 176.201 175.510 -0.123 0.000 1.051 355 N CA 0.777 53.711 53.050 -0.194 0.000 0.899 355 N CB -0.181 38.192 38.487 -0.189 0.000 1.000 355 N HN 0.519 nan 8.380 nan 0.000 0.451 356 A N 3.001 125.730 122.820 -0.152 0.000 2.483 356 A HA 0.242 4.562 4.320 -0.001 0.000 0.238 356 A C -1.935 175.516 177.584 -0.221 0.000 1.070 356 A CA -0.672 51.216 52.037 -0.248 0.000 0.770 356 A CB -0.182 18.698 19.000 -0.200 0.000 1.008 356 A HN 0.046 nan 8.150 nan 0.000 0.497 357 P HA 0.152 nan 4.420 nan 0.000 0.276 357 P C 0.350 177.614 177.300 -0.060 0.000 1.261 357 P CA -0.446 62.548 63.100 -0.176 0.000 0.800 357 P CB 0.967 32.501 31.700 -0.277 0.000 1.066 358 K N 0.422 120.856 120.400 0.057 0.000 1.975 358 K HA -0.021 4.298 4.320 -0.001 0.000 0.210 358 K C 0.255 176.941 176.600 0.143 0.000 1.041 358 K CA 0.918 57.245 56.287 0.067 0.000 0.942 358 K CB -0.644 31.911 32.500 0.092 0.000 0.729 358 K HN 0.467 nan 8.250 nan 0.000 0.439 359 C N 2.431 121.824 119.300 0.155 0.000 2.703 359 C HA 0.147 4.607 4.460 -0.001 0.000 0.411 359 C C -2.152 173.000 174.990 0.269 0.000 1.290 359 C CA -1.184 57.931 59.018 0.163 0.000 2.054 359 C CB -0.161 27.651 27.740 0.119 0.000 2.732 359 C HN 0.424 nan 8.230 nan 0.000 0.650 360 P HA 0.103 nan 4.420 nan 0.000 0.257 360 P C -0.436 176.869 177.300 0.009 0.000 1.227 360 P CA 0.431 63.500 63.100 -0.052 0.000 0.981 360 P CB -0.333 31.325 31.700 -0.071 0.000 1.044 361 F N 1.493 121.480 119.950 0.061 0.000 2.380 361 F HA 0.483 5.009 4.527 -0.001 0.000 0.321 361 F C 1.634 177.522 175.800 0.147 0.000 1.103 361 F CA -0.451 57.608 58.000 0.099 0.000 1.067 361 F CB 0.274 39.282 39.000 0.013 0.000 1.265 361 F HN 0.381 nan 8.300 nan 0.000 0.517 362 H N -1.277 117.866 119.070 0.122 0.000 2.735 362 H HA 0.339 4.894 4.556 -0.001 0.000 0.250 362 H C -0.569 174.838 175.328 0.132 0.000 0.948 362 H CA 0.066 56.147 56.048 0.055 0.000 1.137 362 H CB -0.442 29.334 29.762 0.023 0.000 1.440 362 H HN 0.824 nan 8.280 nan 0.000 0.444 363 N N -0.143 118.317 118.700 -0.399 0.000 4.133 363 N HA -0.244 4.495 4.740 -0.001 0.000 0.316 363 N C -0.513 174.879 175.510 -0.195 0.000 2.208 363 N CA 0.646 53.505 53.050 -0.319 0.000 2.916 363 N CB -0.425 37.931 38.487 -0.219 0.000 0.314 363 N HN 0.398 nan 8.380 nan 0.000 0.696 364 Y N 3.065 123.071 120.300 -0.491 0.000 2.347 364 Y HA 0.124 4.673 4.550 -0.001 0.000 0.294 364 Y C 0.975 176.608 175.900 -0.445 0.000 1.117 364 Y CA 0.903 58.636 58.100 -0.610 0.000 1.184 364 Y CB 0.197 38.169 38.460 -0.813 0.000 1.047 364 Y HN 0.585 nan 8.280 nan 0.000 0.546 365 H N 2.753 121.696 119.070 -0.212 0.000 3.187 365 H HA 0.022 4.578 4.556 -0.001 0.000 0.286 365 H C 0.097 175.281 175.328 -0.239 0.000 0.944 365 H CA 0.403 56.324 56.048 -0.211 0.000 1.429 365 H CB -0.001 29.702 29.762 -0.099 0.000 1.483 365 H HN 0.319 nan 8.280 nan 0.000 0.555 366 R N 3.037 123.433 120.500 -0.172 0.000 2.349 366 R HA 0.069 4.408 4.340 -0.001 0.000 0.299 366 R C -0.085 176.195 176.300 -0.033 0.000 1.027 366 R CA -0.311 55.712 56.100 -0.129 0.000 0.958 366 R CB 0.553 30.736 30.300 -0.195 0.000 1.047 366 R HN 0.696 nan 8.270 nan 0.000 0.468 367 D N 1.653 122.048 120.400 -0.007 0.000 3.528 367 D HA -0.261 4.379 4.640 -0.001 0.000 0.163 367 D C 0.196 176.511 176.300 0.025 0.000 1.069 367 D CA 2.073 56.080 54.000 0.011 0.000 1.082 367 D CB -1.333 39.469 40.800 0.003 0.000 0.538 367 D HN 1.024 nan 8.370 nan 0.000 0.579 368 G N -0.671 108.139 108.800 0.017 0.000 2.712 368 G HA2 0.407 4.367 3.960 -0.001 0.000 0.686 368 G HA3 0.407 4.367 3.960 -0.001 0.000 0.686 368 G C 0.012 174.920 174.900 0.012 0.000 1.321 368 G CA 0.475 45.586 45.100 0.018 0.000 0.813 368 G HN 1.446 nan 8.290 nan 0.000 0.599 369 A N 1.016 123.840 122.820 0.007 0.000 2.531 369 A HA 0.617 4.936 4.320 -0.001 0.000 0.236 369 A C 1.434 179.013 177.584 -0.008 0.000 1.062 369 A CA 1.665 53.702 52.037 -0.001 0.000 0.760 369 A CB 0.053 19.051 19.000 -0.003 0.000 0.995 369 A HN 2.607 nan 8.150 nan 0.000 0.501 370 M N 0.630 120.225 119.600 -0.008 0.000 2.253 370 M HA -0.149 4.330 4.480 -0.001 0.000 0.195 370 M C 0.040 176.330 176.300 -0.017 0.000 0.512 370 M CA 0.622 55.915 55.300 -0.013 0.000 0.442 370 M CB -1.261 31.327 32.600 -0.020 0.000 1.189 370 M HN 0.789 nan 8.290 nan 0.000 0.923 371 R N 0.628 121.128 120.500 -0.001 0.000 2.272 371 R HA 0.499 4.838 4.340 -0.001 0.000 0.334 371 R C 0.906 177.214 176.300 0.014 0.000 1.117 371 R CA 0.417 56.525 56.100 0.013 0.000 0.966 371 R CB 0.190 30.508 30.300 0.031 0.000 1.049 371 R HN 0.525 nan 8.270 nan 0.000 0.477 372 V N 0.110 120.028 119.914 0.007 0.000 3.528 372 V HA 0.225 4.345 4.120 -0.001 0.000 0.294 372 V C 0.573 176.680 176.094 0.022 0.000 1.404 372 V CA 0.522 62.828 62.300 0.011 0.000 1.065 372 V CB 0.536 32.359 31.823 0.001 0.000 0.904 372 V HN 0.630 nan 8.190 nan 0.000 0.435 373 D N 0.828 121.256 120.400 0.045 0.000 2.328 373 D HA 0.310 4.950 4.640 -0.001 0.000 0.226 373 D C 1.610 177.941 176.300 0.051 0.000 1.066 373 D CA 0.708 54.747 54.000 0.065 0.000 0.861 373 D CB 0.272 41.157 40.800 0.142 0.000 0.912 373 D HN 0.857 nan 8.370 nan 0.000 0.521 374 G N -0.199 108.625 108.800 0.041 0.000 2.195 374 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.224 374 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.224 374 G C 0.404 175.328 174.900 0.041 0.000 0.990 374 G CA -0.055 45.063 45.100 0.030 0.000 0.639 374 G HN 0.576 nan 8.290 nan 0.000 0.514 375 N N -1.300 117.437 118.700 0.061 0.000 6.901 375 N HA -0.188 4.552 4.740 -0.001 0.000 0.422 375 N C 1.319 176.868 175.510 0.065 0.000 0.947 375 N CA 2.119 55.205 53.050 0.060 0.000 1.386 375 N CB -1.259 37.251 38.487 0.038 0.000 0.815 375 N HN 1.235 nan 8.380 nan 0.000 0.301 376 S N -0.519 115.208 115.700 0.044 0.000 2.593 376 S HA 0.464 4.933 4.470 -0.001 0.000 0.217 376 S C 0.799 175.504 174.600 0.174 0.000 0.966 376 S CA 1.199 59.439 58.200 0.067 0.000 0.914 376 S CB -0.092 63.058 63.200 -0.083 0.000 0.776 376 S HN 1.506 nan 8.310 nan 0.000 0.523 377 G N 0.671 109.540 108.800 0.115 0.000 2.301 377 G HA2 0.164 4.124 3.960 -0.001 0.000 0.290 377 G HA3 0.164 4.124 3.960 -0.001 0.000 0.290 377 G C -0.724 174.223 174.900 0.077 0.000 1.669 377 G CA -0.850 44.322 45.100 0.119 0.000 0.945 377 G HN 0.053 nan 8.290 nan 0.000 0.710 378 N N 0.021 118.753 118.700 0.052 0.000 2.230 378 N HA 0.237 4.977 4.740 -0.001 0.000 0.202 378 N C 1.294 176.834 175.510 0.050 0.000 1.119 378 N CA 0.938 54.013 53.050 0.042 0.000 0.851 378 N CB 1.497 39.998 38.487 0.025 0.000 0.990 378 N HN 0.844 nan 8.380 nan 0.000 0.497 379 G N 0.162 109.001 108.800 0.065 0.000 2.710 379 G HA2 0.359 4.318 3.960 -0.001 0.000 0.198 379 G HA3 0.359 4.318 3.960 -0.001 0.000 0.198 379 G C -0.230 174.753 174.900 0.138 0.000 1.797 379 G CA -0.352 44.795 45.100 0.078 0.000 0.759 379 G HN 0.067 nan 8.290 nan 0.000 0.808 380 I N 2.483 123.123 120.570 0.116 0.000 2.533 380 I HA 0.220 4.389 4.170 -0.001 0.000 0.284 380 I C 0.829 177.101 176.117 0.258 0.000 1.109 380 I CA 0.552 61.928 61.300 0.126 0.000 1.412 380 I CB 1.487 39.403 38.000 -0.141 0.000 1.396 380 I HN 0.460 nan 8.210 nan 0.000 0.543 381 T N 2.281 117.045 114.554 0.350 0.000 3.393 381 T HA 0.275 4.625 4.350 -0.001 0.000 0.298 381 T C -0.416 174.447 174.700 0.272 0.000 1.004 381 T CA -0.467 61.794 62.100 0.267 0.000 0.956 381 T CB -0.345 68.577 68.868 0.090 0.000 1.182 381 T HN 0.503 nan 8.240 nan 0.000 0.497 382 Y N -1.826 118.648 120.300 0.290 0.000 2.644 382 Y HA 0.910 5.459 4.550 -0.001 0.000 0.338 382 Y C -0.993 175.076 175.900 0.280 0.000 1.119 382 Y CA -1.579 56.676 58.100 0.259 0.000 1.060 382 Y CB 1.324 39.878 38.460 0.157 0.000 1.294 382 Y HN 0.040 nan 8.280 nan 0.000 0.472 383 E N 2.002 122.350 120.200 0.246 0.000 2.354 383 E HA 0.329 4.678 4.350 -0.001 0.000 0.283 383 E C -2.979 173.715 176.600 0.157 0.000 0.938 383 E CA -1.700 54.779 56.400 0.133 0.000 0.777 383 E CB 2.302 32.048 29.700 0.077 0.000 1.222 383 E HN 0.807 nan 8.360 nan 0.000 0.423 384 P HA 0.262 nan 4.420 nan 0.000 0.271 384 P C -0.840 176.569 177.300 0.181 0.000 1.218 384 P CA -0.119 63.056 63.100 0.126 0.000 0.780 384 P CB 0.677 32.437 31.700 0.100 0.000 0.901 385 N N -1.288 117.451 118.700 0.065 0.000 2.647 385 N HA 0.316 5.055 4.740 -0.001 0.000 0.266 385 N C -0.503 175.024 175.510 0.029 0.000 1.373 385 N CA -0.961 52.106 53.050 0.027 0.000 0.807 385 N CB 0.812 39.083 38.487 -0.359 0.000 1.513 385 N HN 0.061 nan 8.380 nan 0.000 0.505 386 S N -1.495 114.232 115.700 0.044 0.000 2.574 386 S HA 0.313 4.782 4.470 -0.001 0.000 0.242 386 S C 0.827 175.424 174.600 -0.005 0.000 0.982 386 S CA -0.236 57.981 58.200 0.028 0.000 0.977 386 S CB -0.202 63.028 63.200 0.050 0.000 0.814 386 S HN 0.766 nan 8.310 nan 0.000 0.464 387 G N 0.347 109.122 108.800 -0.043 0.000 3.324 387 G HA2 0.437 4.396 3.960 -0.001 0.000 0.251 387 G HA3 0.437 4.396 3.960 -0.001 0.000 0.251 387 G C 0.942 175.788 174.900 -0.091 0.000 1.072 387 G CA 0.035 45.095 45.100 -0.066 0.000 0.787 387 G HN 0.621 nan 8.290 nan 0.000 0.537 388 G N -0.398 108.356 108.800 -0.077 0.000 2.225 388 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.267 388 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.267 388 G C 0.364 175.185 174.900 -0.131 0.000 1.024 388 G CA 0.730 45.781 45.100 -0.082 0.000 0.784 388 G HN 1.528 nan 8.290 nan 0.000 0.507 389 V N -4.330 115.477 119.914 -0.178 0.000 2.881 389 V HA 0.865 4.985 4.120 -0.001 0.000 0.316 389 V C 1.104 177.087 176.094 -0.186 0.000 1.070 389 V CA -0.781 61.321 62.300 -0.331 0.000 0.976 389 V CB 1.234 32.714 31.823 -0.572 0.000 1.038 389 V HN 1.107 nan 8.190 nan 0.000 0.446 390 F N -0.126 119.837 119.950 0.021 0.000 3.090 390 F HA -0.153 4.373 4.527 -0.001 0.000 0.282 390 F C 0.697 176.499 175.800 0.003 0.000 0.923 390 F CA 0.757 58.795 58.000 0.062 0.000 0.977 390 F CB -2.004 37.038 39.000 0.069 0.000 0.954 390 F HN 0.713 nan 8.300 nan 0.000 0.695 391 Q N 1.507 121.374 119.800 0.112 0.000 2.286 391 Q HA 0.209 4.549 4.340 -0.001 0.000 0.257 391 Q C 0.916 176.965 176.000 0.080 0.000 0.941 391 Q CA -0.115 55.729 55.803 0.070 0.000 0.912 391 Q CB 0.956 29.710 28.738 0.026 0.000 1.192 391 Q HN 0.682 nan 8.270 nan 0.000 0.410 392 E N 1.859 122.096 120.200 0.063 0.000 2.410 392 E HA 0.025 4.374 4.350 -0.001 0.000 0.255 392 E C -0.718 175.933 176.600 0.084 0.000 1.194 392 E CA -0.171 56.267 56.400 0.063 0.000 0.955 392 E CB 0.546 30.271 29.700 0.042 0.000 0.988 392 E HN 0.398 nan 8.360 nan 0.000 0.461 393 Q N 1.023 120.893 119.800 0.117 0.000 2.607 393 Q HA 0.196 4.536 4.340 -0.001 0.000 0.247 393 Q C -2.116 173.985 176.000 0.168 0.000 1.033 393 Q CA -1.779 54.131 55.803 0.179 0.000 0.769 393 Q CB 1.540 30.475 28.738 0.328 0.000 1.169 393 Q HN 0.471 nan 8.270 nan 0.000 0.508 394 P HA -0.168 nan 4.420 nan 0.000 0.219 394 P C 0.352 177.647 177.300 -0.008 0.000 1.146 394 P CA 1.064 64.187 63.100 0.038 0.000 0.808 394 P CB 0.375 32.083 31.700 0.013 0.000 0.779 395 D N -1.552 118.802 120.400 -0.077 0.000 2.263 395 D HA -0.092 4.547 4.640 -0.001 0.000 0.208 395 D C 0.895 176.954 176.300 -0.401 0.000 0.971 395 D CA 0.986 54.822 54.000 -0.274 0.000 0.867 395 D CB -0.516 40.023 40.800 -0.434 0.000 0.929 395 D HN 0.274 nan 8.370 nan 0.000 0.492 396 F N 0.625 120.572 119.950 -0.005 0.000 2.660 396 F HA 0.171 4.697 4.527 -0.001 0.000 0.302 396 F C 1.076 176.871 175.800 -0.009 0.000 1.103 396 F CA -0.504 57.491 58.000 -0.009 0.000 1.340 396 F CB -0.115 38.881 39.000 -0.007 0.000 1.048 396 F HN -0.344 nan 8.300 nan 0.000 0.551 397 K N 1.990 122.446 120.400 0.094 0.000 2.485 397 K HA 0.021 4.340 4.320 -0.001 0.000 0.277 397 K C -0.030 176.596 176.600 0.044 0.000 0.990 397 K CA 0.388 56.712 56.287 0.060 0.000 0.994 397 K CB 0.475 32.989 32.500 0.024 0.000 0.906 397 K HN 0.272 nan 8.250 nan 0.000 0.488 398 E N 4.102 124.325 120.200 0.038 0.000 2.221 398 E HA 0.323 4.672 4.350 -0.001 0.000 0.268 398 E C -2.239 174.363 176.600 0.004 0.000 0.933 398 E CA -2.200 54.212 56.400 0.020 0.000 0.809 398 E CB 1.324 31.036 29.700 0.020 0.000 1.190 398 E HN 0.568 nan 8.360 nan 0.000 0.406 399 P HA 0.152 nan 4.420 nan 0.000 0.272 399 P C -2.513 174.778 177.300 -0.015 0.000 1.223 399 P CA -0.962 62.123 63.100 -0.024 0.000 0.784 399 P CB -0.188 31.481 31.700 -0.051 0.000 0.923 400 P HA 0.266 nan 4.420 nan 0.000 0.273 400 P C -0.893 176.409 177.300 0.003 0.000 1.250 400 P CA -0.219 62.883 63.100 0.004 0.000 0.793 400 P CB 0.248 31.950 31.700 0.003 0.000 1.011 401 L N 0.648 121.884 121.223 0.021 0.000 2.446 401 L HA 0.351 4.690 4.340 -0.001 0.000 0.268 401 L C -0.176 176.714 176.870 0.033 0.000 0.975 401 L CA -0.426 54.437 54.840 0.038 0.000 0.848 401 L CB 0.886 42.990 42.059 0.076 0.000 1.225 401 L HN 0.486 nan 8.230 nan 0.000 0.410 402 S N 4.811 120.529 115.700 0.029 0.000 2.566 402 S HA 0.481 4.950 4.470 -0.001 0.000 0.280 402 S C 0.115 174.722 174.600 0.012 0.000 1.343 402 S CA -0.271 57.940 58.200 0.018 0.000 1.036 402 S CB 0.358 63.567 63.200 0.015 0.000 0.866 402 S HN 0.523 nan 8.310 nan 0.000 0.526 403 I N 1.505 122.074 120.570 -0.001 0.000 2.406 403 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 403 I C -0.689 175.411 176.117 -0.029 0.000 0.999 403 I CA -0.614 60.675 61.300 -0.018 0.000 1.124 403 I CB 1.785 39.779 38.000 -0.010 0.000 1.289 403 I HN 0.599 nan 8.210 nan 0.000 0.441 404 E N 4.613 124.777 120.200 -0.061 0.000 2.129 404 E HA 0.717 5.067 4.350 -0.001 0.000 0.268 404 E C -0.027 176.490 176.600 -0.137 0.000 0.900 404 E CA -0.211 56.142 56.400 -0.078 0.000 0.755 404 E CB 1.764 31.414 29.700 -0.084 0.000 1.117 404 E HN 0.819 nan 8.360 nan 0.000 0.410 405 G N 1.436 110.187 108.800 -0.082 0.000 2.570 405 G HA2 0.288 4.248 3.960 -0.001 0.000 0.686 405 G HA3 0.288 4.248 3.960 -0.001 0.000 0.686 405 G C -0.511 174.440 174.900 0.085 0.000 1.257 405 G CA -0.609 44.450 45.100 -0.068 0.000 0.846 405 G HN 0.666 nan 8.290 nan 0.000 0.627 406 A N 0.055 123.050 122.820 0.292 0.000 2.257 406 A HA 1.004 5.324 4.320 -0.001 0.000 0.289 406 A C 1.028 178.837 177.584 0.375 0.000 1.095 406 A CA 0.808 53.014 52.037 0.283 0.000 0.836 406 A CB 0.677 19.823 19.000 0.244 0.000 1.111 406 A HN 2.616 nan 8.150 nan 0.000 0.497 407 A N 0.529 123.469 122.820 0.201 0.000 2.409 407 A HA 0.559 4.878 4.320 -0.001 0.000 0.267 407 A C -0.156 177.470 177.584 0.069 0.000 1.127 407 A CA 0.280 52.406 52.037 0.148 0.000 0.795 407 A CB -0.120 18.909 19.000 0.048 0.000 1.061 407 A HN 0.940 nan 8.150 nan 0.000 0.502 408 D N -0.600 119.812 120.400 0.020 0.000 2.808 408 D HA 0.102 4.741 4.640 -0.001 0.000 0.294 408 D C -1.329 174.767 176.300 -0.341 0.000 1.278 408 D CA -0.494 53.329 54.000 -0.295 0.000 0.756 408 D CB 0.464 40.878 40.800 -0.644 0.000 1.271 408 D HN 0.538 nan 8.370 nan 0.000 0.425 409 H N 1.293 120.187 119.070 -0.293 0.000 2.911 409 H HA 0.191 4.746 4.556 -0.001 0.000 0.273 409 H C -0.538 174.642 175.328 -0.246 0.000 1.157 409 H CA 0.073 56.033 56.048 -0.148 0.000 1.402 409 H CB -0.014 29.681 29.762 -0.111 0.000 1.463 409 H HN 0.120 nan 8.280 nan 0.000 0.475 410 W N 2.797 124.161 121.300 0.107 0.000 2.331 410 W HA 0.071 4.731 4.660 -0.001 0.000 0.306 410 W C 0.893 177.465 176.519 0.087 0.000 1.162 410 W CA -0.632 56.761 57.345 0.079 0.000 1.232 410 W CB 0.356 29.850 29.460 0.056 0.000 1.235 410 W HN 0.476 nan 8.180 nan 0.000 0.479 411 N N 3.091 121.925 118.700 0.224 0.000 2.416 411 N HA -0.115 4.624 4.740 -0.001 0.000 0.271 411 N C 1.224 176.812 175.510 0.130 0.000 1.245 411 N CA 0.325 53.434 53.050 0.099 0.000 0.940 411 N CB 0.284 38.786 38.487 0.025 0.000 1.175 411 N HN 0.546 nan 8.380 nan 0.000 0.483 412 H N 2.667 121.836 119.070 0.165 0.000 2.521 412 H HA 0.073 4.628 4.556 -0.001 0.000 0.286 412 H C 0.909 176.314 175.328 0.128 0.000 1.034 412 H CA 1.128 57.264 56.048 0.146 0.000 1.278 412 H CB 0.043 29.892 29.762 0.144 0.000 1.386 412 H HN 0.464 nan 8.280 nan 0.000 0.567 413 R N 0.828 121.233 120.500 -0.158 0.000 2.346 413 R HA -0.029 4.311 4.340 -0.001 0.000 0.199 413 R C 0.888 177.213 176.300 0.043 0.000 1.015 413 R CA 0.430 56.535 56.100 0.008 0.000 1.058 413 R CB 0.076 30.353 30.300 -0.039 0.000 0.921 413 R HN 0.475 nan 8.270 nan 0.000 0.475 414 E N 0.848 121.082 120.200 0.057 0.000 2.268 414 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 414 E C 0.024 176.631 176.600 0.012 0.000 0.995 414 E CA 0.784 57.215 56.400 0.052 0.000 0.836 414 E CB -0.011 29.743 29.700 0.090 0.000 0.763 414 E HN 0.188 nan 8.360 nan 0.000 0.491 415 D N 0.893 121.293 120.400 -0.001 0.000 2.443 415 D HA 0.069 4.709 4.640 -0.001 0.000 0.221 415 D C -0.140 175.968 176.300 -0.320 0.000 1.097 415 D CA -0.109 53.840 54.000 -0.085 0.000 0.865 415 D CB 0.515 41.303 40.800 -0.020 0.000 1.034 415 D HN -0.141 nan 8.370 nan 0.000 0.511 416 E N 1.984 121.950 120.200 -0.390 0.000 2.419 416 E HA 0.004 4.354 4.350 -0.001 0.000 0.190 416 E C -0.330 175.773 176.600 -0.829 0.000 1.040 416 E CA -0.163 55.778 56.400 -0.766 0.000 0.900 416 E CB 0.424 29.990 29.700 -0.224 0.000 1.054 416 E HN 0.295 nan 8.360 nan 0.000 0.462 417 D N 0.056 120.117 120.400 -0.566 0.000 2.551 417 D HA -0.029 4.610 4.640 -0.001 0.000 0.223 417 D C -0.232 175.834 176.300 -0.390 0.000 1.144 417 D CA 0.017 53.823 54.000 -0.323 0.000 1.025 417 D CB -0.090 40.630 40.800 -0.134 0.000 1.085 417 D HN 0.142 nan 8.370 nan 0.000 0.506 418 Y N 0.868 120.901 120.300 -0.445 0.000 2.481 418 Y HA 0.163 4.712 4.550 -0.001 0.000 0.258 418 Y C 1.173 176.679 175.900 -0.657 0.000 1.103 418 Y CA -0.104 57.608 58.100 -0.647 0.000 1.287 418 Y CB -0.064 37.762 38.460 -1.057 0.000 1.108 418 Y HN 0.222 nan 8.280 nan 0.000 0.529 419 F N -1.300 118.741 119.950 0.151 0.000 2.559 419 F HA 0.058 4.585 4.527 -0.001 0.000 0.286 419 F C 2.442 178.269 175.800 0.045 0.000 1.108 419 F CA 0.469 58.525 58.000 0.093 0.000 1.436 419 F CB -0.909 38.142 39.000 0.087 0.000 1.130 419 F HN -0.053 nan 8.300 nan 0.000 0.584 420 S N 0.513 116.310 115.700 0.162 0.000 2.370 420 S HA -0.251 4.219 4.470 -0.001 0.000 0.226 420 S C 1.795 176.403 174.600 0.014 0.000 1.033 420 S CA 1.434 59.688 58.200 0.090 0.000 1.011 420 S CB -0.762 62.472 63.200 0.056 0.000 0.852 420 S HN 0.503 nan 8.310 nan 0.000 0.457 421 Q N 1.351 121.098 119.800 -0.088 0.000 2.083 421 Q HA 0.030 4.369 4.340 -0.001 0.000 0.198 421 Q C -0.418 175.353 176.000 -0.383 0.000 0.969 421 Q CA 1.289 56.932 55.803 -0.268 0.000 0.838 421 Q CB -1.231 27.280 28.738 -0.378 0.000 0.900 421 Q HN 0.577 nan 8.270 nan 0.000 0.436 422 P HA -0.153 nan 4.420 nan 0.000 0.223 422 P C 1.069 178.455 177.300 0.144 0.000 1.151 422 P CA 1.124 64.187 63.100 -0.063 0.000 0.787 422 P CB -0.103 31.678 31.700 0.135 0.000 0.788 423 R N 0.522 121.115 120.500 0.155 0.000 2.066 423 R HA -0.054 4.285 4.340 -0.001 0.000 0.232 423 R C 2.293 178.718 176.300 0.210 0.000 1.131 423 R CA 1.551 57.791 56.100 0.234 0.000 0.955 423 R CB -0.809 29.618 30.300 0.213 0.000 0.851 423 R HN 0.019 nan 8.270 nan 0.000 0.432 424 A N 1.329 124.215 122.820 0.110 0.000 1.908 424 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 424 A C 2.057 179.690 177.584 0.082 0.000 1.181 424 A CA 1.424 53.510 52.037 0.081 0.000 0.627 424 A CB -0.653 18.365 19.000 0.030 0.000 0.818 424 A HN 0.415 nan 8.150 nan 0.000 0.445 425 L N -1.598 119.673 121.223 0.080 0.000 1.994 425 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 425 L C 2.333 179.267 176.870 0.107 0.000 1.071 425 L CA 2.571 57.469 54.840 0.097 0.000 0.745 425 L CB -0.994 41.150 42.059 0.141 0.000 0.892 425 L HN 0.511 nan 8.230 nan 0.000 0.431 426 Y N 0.857 121.163 120.300 0.009 0.000 2.114 426 Y HA -0.291 4.258 4.550 -0.001 0.000 0.282 426 Y C 2.375 178.302 175.900 0.045 0.000 1.165 426 Y CA 2.360 60.415 58.100 -0.076 0.000 1.148 426 Y CB -0.308 38.020 38.460 -0.219 0.000 0.972 426 Y HN 0.410 nan 8.280 nan 0.000 0.504 427 E N 0.016 120.273 120.200 0.095 0.000 2.265 427 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 427 E C 2.052 178.624 176.600 -0.045 0.000 0.996 427 E CA 1.105 57.521 56.400 0.026 0.000 0.832 427 E CB -0.208 29.578 29.700 0.143 0.000 0.756 427 E HN 0.544 nan 8.360 nan 0.000 0.491 428 L N 0.674 121.874 121.223 -0.038 0.000 2.313 428 L HA 0.026 4.365 4.340 -0.001 0.000 0.214 428 L C 0.904 177.696 176.870 -0.130 0.000 1.119 428 L CA 0.077 54.880 54.840 -0.062 0.000 0.809 428 L CB -0.007 42.036 42.059 -0.027 0.000 0.933 428 L HN 0.061 nan 8.230 nan 0.000 0.449 429 L N -0.115 120.999 121.223 -0.182 0.000 2.417 429 L HA 0.150 4.489 4.340 -0.001 0.000 0.268 429 L C 0.993 177.513 176.870 -0.583 0.000 1.158 429 L CA -0.390 54.270 54.840 -0.300 0.000 0.819 429 L CB 0.947 42.860 42.059 -0.243 0.000 1.112 429 L HN 0.136 nan 8.230 nan 0.000 0.458 430 S N -0.178 115.229 115.700 -0.488 0.000 2.596 430 S HA -0.043 4.427 4.470 -0.001 0.000 0.260 430 S C 0.781 174.927 174.600 -0.757 0.000 1.336 430 S CA -0.489 57.416 58.200 -0.491 0.000 0.993 430 S CB 1.049 64.074 63.200 -0.291 0.000 0.923 430 S HN 0.756 nan 8.310 nan 0.000 0.567 431 D N 0.424 120.523 120.400 -0.502 0.000 2.117 431 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 431 D C 1.078 177.206 176.300 -0.286 0.000 0.987 431 D CA 1.403 55.175 54.000 -0.379 0.000 0.829 431 D CB -0.294 40.404 40.800 -0.170 0.000 0.961 431 D HN 0.612 nan 8.370 nan 0.000 0.460 432 D N 0.410 120.669 120.400 -0.235 0.000 2.117 432 D HA -0.152 4.488 4.640 -0.001 0.000 0.197 432 D C 1.899 178.074 176.300 -0.208 0.000 0.987 432 D CA 0.717 54.614 54.000 -0.171 0.000 0.829 432 D CB -0.305 40.416 40.800 -0.131 0.000 0.961 432 D HN 0.457 nan 8.370 nan 0.000 0.460 433 E N -0.257 119.781 120.200 -0.271 0.000 2.110 433 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 433 E C 1.836 178.260 176.600 -0.293 0.000 0.988 433 E CA 0.900 57.151 56.400 -0.248 0.000 0.804 433 E CB 0.001 29.556 29.700 -0.242 0.000 0.745 433 E HN 0.510 nan 8.360 nan 0.000 0.458 434 H N -0.580 118.183 119.070 -0.512 0.000 2.352 434 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 434 H C 2.264 176.846 175.328 -1.243 0.000 1.097 434 H CA 0.995 56.500 56.048 -0.906 0.000 1.311 434 H CB 0.228 29.511 29.762 -0.798 0.000 1.377 434 H HN 0.163 nan 8.280 nan 0.000 0.504 435 Q N 0.742 120.249 119.800 -0.489 0.000 2.084 435 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 435 Q C 2.315 178.219 176.000 -0.161 0.000 0.978 435 Q CA 1.121 56.797 55.803 -0.212 0.000 0.844 435 Q CB -0.216 28.504 28.738 -0.030 0.000 0.898 435 Q HN 0.521 nan 8.270 nan 0.000 0.426 436 R N -0.219 120.178 120.500 -0.172 0.000 2.081 436 R HA -0.021 4.318 4.340 -0.001 0.000 0.235 436 R C 2.431 178.676 176.300 -0.091 0.000 1.131 436 R CA 1.288 57.331 56.100 -0.096 0.000 0.960 436 R CB -0.248 29.999 30.300 -0.087 0.000 0.856 436 R HN 0.274 nan 8.270 nan 0.000 0.436 437 M N -0.302 119.182 119.600 -0.193 0.000 2.117 437 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 437 M C 1.775 178.075 176.300 -0.000 0.000 1.065 437 M CA 1.609 56.833 55.300 -0.126 0.000 1.114 437 M CB -0.272 32.195 32.600 -0.221 0.000 1.361 437 M HN 0.022 nan 8.290 nan 0.000 0.408 438 F N 0.581 120.528 119.950 -0.005 0.000 2.134 438 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 438 F C 2.710 178.488 175.800 -0.037 0.000 1.097 438 F CA 1.091 59.072 58.000 -0.033 0.000 1.264 438 F CB -1.665 37.327 39.000 -0.014 0.000 1.001 438 F HN 0.115 nan 8.300 nan 0.000 0.479 439 A N 0.248 123.161 122.820 0.155 0.000 1.898 439 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 439 A C 2.375 179.993 177.584 0.057 0.000 1.181 439 A CA 1.458 53.545 52.037 0.083 0.000 0.620 439 A CB -0.654 18.379 19.000 0.054 0.000 0.819 439 A HN 0.293 nan 8.150 nan 0.000 0.442 440 R N -0.437 120.097 120.500 0.058 0.000 2.073 440 R HA -0.035 4.304 4.340 -0.001 0.000 0.234 440 R C 2.009 178.355 176.300 0.077 0.000 1.134 440 R CA 1.654 57.797 56.100 0.070 0.000 0.952 440 R CB -0.503 29.845 30.300 0.079 0.000 0.850 440 R HN 0.567 nan 8.270 nan 0.000 0.433 441 I N 0.560 121.165 120.570 0.057 0.000 2.179 441 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 441 I C 2.619 178.657 176.117 -0.132 0.000 1.088 441 I CA 1.284 62.563 61.300 -0.034 0.000 1.357 441 I CB -0.482 37.457 38.000 -0.101 0.000 1.051 441 I HN 0.218 nan 8.210 nan 0.000 0.409 442 A N 1.052 123.831 122.820 -0.068 0.000 1.908 442 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 442 A C 2.440 179.990 177.584 -0.056 0.000 1.181 442 A CA 2.029 54.021 52.037 -0.076 0.000 0.627 442 A CB -1.532 17.453 19.000 -0.026 0.000 0.818 442 A HN 0.489 nan 8.150 nan 0.000 0.445 443 G N -0.755 108.039 108.800 -0.010 0.000 2.442 443 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 443 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 443 G C 1.470 176.384 174.900 0.023 0.000 1.141 443 G CA 1.154 46.263 45.100 0.015 0.000 0.763 443 G HN 0.692 nan 8.290 nan 0.000 0.554 444 E N -0.700 119.515 120.200 0.025 0.000 2.079 444 E HA 0.098 4.448 4.350 -0.001 0.000 0.191 444 E C 2.314 178.868 176.600 -0.077 0.000 0.961 444 E CA -0.008 56.446 56.400 0.090 0.000 0.823 444 E CB -0.209 29.706 29.700 0.359 0.000 0.789 444 E HN 0.241 nan 8.360 nan 0.000 0.459 445 L N 1.883 122.853 121.223 -0.422 0.000 2.127 445 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 445 L C 2.308 179.062 176.870 -0.193 0.000 1.089 445 L CA 1.984 56.501 54.840 -0.538 0.000 0.757 445 L CB -0.572 41.065 42.059 -0.703 0.000 0.899 445 L HN 0.093 nan 8.230 nan 0.000 0.434 446 S N -1.753 113.873 115.700 -0.122 0.000 2.442 446 S HA -0.232 4.237 4.470 -0.001 0.000 0.236 446 S C 1.731 176.317 174.600 -0.024 0.000 1.007 446 S CA 1.091 59.255 58.200 -0.060 0.000 0.965 446 S CB -0.596 62.579 63.200 -0.042 0.000 0.773 446 S HN 0.698 nan 8.310 nan 0.000 0.504 447 Q N 0.951 120.748 119.800 -0.005 0.000 2.435 447 Q HA 0.355 4.694 4.340 -0.001 0.000 0.207 447 Q C 1.039 177.061 176.000 0.037 0.000 0.956 447 Q CA 0.530 56.346 55.803 0.020 0.000 0.917 447 Q CB -0.183 28.579 28.738 0.039 0.000 0.997 447 Q HN 0.749 nan 8.270 nan 0.000 0.497 448 A N 1.338 124.189 122.820 0.052 0.000 2.272 448 A HA 0.360 4.679 4.320 -0.001 0.000 0.275 448 A C 0.435 178.053 177.584 0.056 0.000 1.096 448 A CA -0.431 51.660 52.037 0.090 0.000 0.822 448 A CB 0.388 19.475 19.000 0.145 0.000 1.088 448 A HN 0.289 nan 8.150 nan 0.000 0.495 449 S N 0.255 115.999 115.700 0.073 0.000 2.589 449 S HA 0.135 4.604 4.470 -0.001 0.000 0.265 449 S C 0.728 175.348 174.600 0.033 0.000 1.342 449 S CA -0.211 58.020 58.200 0.052 0.000 1.005 449 S CB 0.533 63.773 63.200 0.068 0.000 0.909 449 S HN 0.567 nan 8.310 nan 0.000 0.555 450 K N 1.153 121.565 120.400 0.020 0.000 2.147 450 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 450 K C 2.063 178.666 176.600 0.005 0.000 1.049 450 K CA 1.706 57.997 56.287 0.006 0.000 0.936 450 K CB -0.684 31.818 32.500 0.003 0.000 0.722 450 K HN 0.913 nan 8.250 nan 0.000 0.446 451 E N 0.501 120.710 120.200 0.016 0.000 2.051 451 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 451 E C 1.481 178.082 176.600 0.001 0.000 0.991 451 E CA 1.608 58.015 56.400 0.012 0.000 0.799 451 E CB 0.114 29.831 29.700 0.029 0.000 0.748 451 E HN 0.174 nan 8.360 nan 0.000 0.449 452 T N 0.887 115.454 114.554 0.022 0.000 2.777 452 T HA -0.151 4.199 4.350 -0.001 0.000 0.266 452 T C 1.851 176.557 174.700 0.010 0.000 1.040 452 T CA 1.384 63.499 62.100 0.025 0.000 1.141 452 T CB -0.176 68.753 68.868 0.101 0.000 0.868 452 T HN 0.269 nan 8.240 nan 0.000 0.444 453 Q N 0.479 120.280 119.800 0.002 0.000 2.061 453 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 453 Q C 2.523 178.500 176.000 -0.038 0.000 0.984 453 Q CA 1.554 57.340 55.803 -0.029 0.000 0.846 453 Q CB -0.210 28.508 28.738 -0.034 0.000 0.902 453 Q HN 0.344 nan 8.270 nan 0.000 0.421 454 Q N 0.983 120.762 119.800 -0.034 0.000 2.046 454 Q HA -0.152 4.187 4.340 -0.001 0.000 0.200 454 Q C 1.897 177.862 176.000 -0.059 0.000 0.975 454 Q CA 1.622 57.400 55.803 -0.042 0.000 0.836 454 Q CB -0.146 28.572 28.738 -0.033 0.000 0.896 454 Q HN 0.199 nan 8.270 nan 0.000 0.428 455 R N -0.572 119.887 120.500 -0.067 0.000 2.091 455 R HA -0.219 4.120 4.340 -0.001 0.000 0.238 455 R C 2.194 178.417 176.300 -0.129 0.000 1.136 455 R CA 1.859 57.900 56.100 -0.099 0.000 0.959 455 R CB -0.140 30.080 30.300 -0.134 0.000 0.856 455 R HN 0.277 nan 8.270 nan 0.000 0.437 456 Q N 0.695 120.424 119.800 -0.119 0.000 2.079 456 Q HA -0.066 4.274 4.340 -0.001 0.000 0.200 456 Q C 1.953 177.801 176.000 -0.253 0.000 0.974 456 Q CA 1.657 57.338 55.803 -0.203 0.000 0.840 456 Q CB -0.163 28.526 28.738 -0.082 0.000 0.898 456 Q HN 0.449 nan 8.270 nan 0.000 0.430 457 I N 0.731 121.256 120.570 -0.075 0.000 2.208 457 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 457 I C 1.414 177.500 176.117 -0.052 0.000 1.097 457 I CA 1.442 62.751 61.300 0.014 0.000 1.363 457 I CB -0.308 37.683 38.000 -0.014 0.000 1.051 457 I HN 0.230 nan 8.210 nan 0.000 0.413 458 D N 0.632 120.975 120.400 -0.096 0.000 2.178 458 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 458 D C 2.332 178.536 176.300 -0.160 0.000 0.980 458 D CA 1.104 55.037 54.000 -0.112 0.000 0.842 458 D CB -0.186 40.556 40.800 -0.096 0.000 0.948 458 D HN 0.313 nan 8.370 nan 0.000 0.472 459 L N -0.411 120.693 121.223 -0.198 0.000 2.056 459 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 459 L C 2.282 179.022 176.870 -0.218 0.000 1.078 459 L CA 0.760 55.483 54.840 -0.194 0.000 0.749 459 L CB -0.384 41.527 42.059 -0.247 0.000 0.901 459 L HN -0.035 nan 8.230 nan 0.000 0.433 460 F N 0.276 120.083 119.950 -0.237 0.000 2.171 460 F HA -0.189 4.337 4.527 -0.001 0.000 0.300 460 F C 2.699 178.302 175.800 -0.328 0.000 1.090 460 F CA 1.380 59.097 58.000 -0.472 0.000 1.293 460 F CB -1.353 37.254 39.000 -0.655 0.000 1.013 460 F HN 0.017 nan 8.300 nan 0.000 0.486 461 T N -0.305 114.210 114.554 -0.064 0.000 2.788 461 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 461 T C 1.974 176.573 174.700 -0.169 0.000 1.044 461 T CA 1.245 63.291 62.100 -0.090 0.000 1.139 461 T CB -0.190 68.619 68.868 -0.099 0.000 0.867 461 T HN 0.215 nan 8.240 nan 0.000 0.454 462 K N 0.529 120.739 120.400 -0.316 0.000 2.211 462 K HA -0.007 4.313 4.320 -0.001 0.000 0.203 462 K C 2.203 178.546 176.600 -0.429 0.000 1.050 462 K CA 0.685 56.608 56.287 -0.606 0.000 0.945 462 K CB -0.175 31.522 32.500 -1.337 0.000 0.732 462 K HN 0.192 nan 8.250 nan 0.000 0.451 463 V N -0.139 119.705 119.914 -0.118 0.000 2.323 463 V HA -0.110 4.010 4.120 -0.001 0.000 0.244 463 V C 0.745 176.925 176.094 0.143 0.000 1.041 463 V CA 1.154 63.547 62.300 0.157 0.000 1.025 463 V CB -0.273 31.727 31.823 0.295 0.000 0.656 463 V HN 0.387 nan 8.190 nan 0.000 0.451 464 H N -2.061 116.987 119.070 -0.036 0.000 3.156 464 H HA 0.192 4.747 4.556 -0.001 0.000 0.319 464 H C -2.577 172.718 175.328 -0.055 0.000 1.067 464 H CA -0.957 55.060 56.048 -0.052 0.000 1.417 464 H CB 2.281 31.959 29.762 -0.141 0.000 2.050 464 H HN -0.115 nan 8.280 nan 0.000 0.473 465 P HA -0.138 nan 4.420 nan 0.000 0.216 465 P C 0.921 178.303 177.300 0.136 0.000 1.150 465 P CA 1.531 64.653 63.100 0.037 0.000 0.843 465 P CB 0.420 32.100 31.700 -0.034 0.000 0.787 466 E N -2.418 118.008 120.200 0.377 0.000 2.208 466 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 466 E C 1.806 178.451 176.600 0.075 0.000 0.988 466 E CA 0.587 57.116 56.400 0.215 0.000 0.828 466 E CB -0.493 29.378 29.700 0.285 0.000 0.763 466 E HN 0.288 nan 8.360 nan 0.000 0.478 467 Y N 1.404 121.607 120.300 -0.160 0.000 2.109 467 Y HA -0.089 4.460 4.550 -0.001 0.000 0.285 467 Y C 2.401 178.106 175.900 -0.323 0.000 1.131 467 Y CA 1.629 59.528 58.100 -0.335 0.000 1.121 467 Y CB -0.925 37.132 38.460 -0.672 0.000 0.987 467 Y HN -0.033 nan 8.280 nan 0.000 0.495 468 G N -0.389 108.394 108.800 -0.028 0.000 2.418 468 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 468 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 468 G C 1.871 176.679 174.900 -0.154 0.000 1.158 468 G CA 1.255 46.312 45.100 -0.072 0.000 0.771 468 G HN 0.576 nan 8.290 nan 0.000 0.545 469 A N 0.822 123.547 122.820 -0.159 0.000 1.930 469 A HA 0.188 4.507 4.320 -0.001 0.000 0.217 469 A C 2.692 180.071 177.584 -0.342 0.000 1.175 469 A CA 2.000 53.928 52.037 -0.181 0.000 0.627 469 A CB -0.973 17.963 19.000 -0.107 0.000 0.815 469 A HN 0.507 nan 8.150 nan 0.000 0.443 470 G N -0.607 107.791 108.800 -0.671 0.000 2.418 470 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.217 470 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.217 470 G C 1.489 175.820 174.900 -0.948 0.000 1.158 470 G CA 1.231 45.526 45.100 -1.343 0.000 0.771 470 G HN 0.310 nan 8.290 nan 0.000 0.545 471 V N 0.500 120.015 119.914 -0.665 0.000 2.358 471 V HA -0.130 3.989 4.120 -0.001 0.000 0.246 471 V C 2.558 178.537 176.094 -0.191 0.000 1.047 471 V CA 2.169 64.291 62.300 -0.296 0.000 1.035 471 V CB -0.267 31.396 31.823 -0.267 0.000 0.658 471 V HN 0.556 nan 8.190 nan 0.000 0.452 472 E N 0.291 120.383 120.200 -0.181 0.000 2.077 472 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 472 E C 2.321 178.857 176.600 -0.107 0.000 0.989 472 E CA 1.559 57.889 56.400 -0.117 0.000 0.800 472 E CB -0.091 29.550 29.700 -0.099 0.000 0.746 472 E HN 0.536 nan 8.360 nan 0.000 0.452 473 K N -0.012 120.307 120.400 -0.136 0.000 2.026 473 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 473 K C 2.064 178.628 176.600 -0.060 0.000 1.048 473 K CA 1.149 57.380 56.287 -0.093 0.000 0.929 473 K CB -0.194 32.244 32.500 -0.104 0.000 0.713 473 K HN 0.155 nan 8.250 nan 0.000 0.439 474 A N 1.231 124.013 122.820 -0.063 0.000 1.978 474 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 474 A C 2.039 179.611 177.584 -0.020 0.000 1.170 474 A CA 1.363 53.395 52.037 -0.007 0.000 0.636 474 A CB -0.505 18.522 19.000 0.046 0.000 0.810 474 A HN 0.359 nan 8.150 nan 0.000 0.448 475 I N -0.944 119.598 120.570 -0.046 0.000 2.286 475 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 475 I C 2.527 178.625 176.117 -0.033 0.000 1.104 475 I CA 1.627 62.900 61.300 -0.045 0.000 1.397 475 I CB -0.226 37.737 38.000 -0.062 0.000 1.072 475 I HN 0.375 nan 8.210 nan 0.000 0.417 476 K N 1.034 121.413 120.400 -0.035 0.000 2.026 476 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 476 K C 2.089 178.678 176.600 -0.017 0.000 1.048 476 K CA 1.436 57.707 56.287 -0.026 0.000 0.929 476 K CB 0.033 32.515 32.500 -0.030 0.000 0.713 476 K HN 0.076 nan 8.250 nan 0.000 0.439 477 V N 1.620 121.526 119.914 -0.014 0.000 2.343 477 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 477 V C 2.297 178.390 176.094 -0.003 0.000 1.051 477 V CA 1.504 63.801 62.300 -0.005 0.000 1.036 477 V CB -0.435 31.390 31.823 0.003 0.000 0.654 477 V HN 0.353 nan 8.190 nan 0.000 0.451 478 L N -0.044 121.176 121.223 -0.004 0.000 2.046 478 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 478 L C 1.436 178.303 176.870 -0.004 0.000 1.077 478 L CA 1.607 56.445 54.840 -0.002 0.000 0.747 478 L CB -0.414 41.642 42.059 -0.004 0.000 0.896 478 L HN 0.427 nan 8.230 nan 0.000 0.432 479 E N 0.000 120.195 120.200 -0.009 0.000 2.725 479 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 479 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 479 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440