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 3mct_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDVVSLDKPF MYFEEIDNEL DYEPESANEV AKKLPYQGQL KLLLGELFFL DATA SEQUENCE SKLQRHGILD GATVVYIGSA PGTHIRYLRD HFYNLGVIIK WMLIDGRHHD DATA SEQUENCE PILNGLRDVT LVTRFVDEEY LRSIKKQLHP SKIILISDVR SXXXXXXPST DATA SEQUENCE ADLLSNYALQ NVMISILNPV ASSLKWRCPF PDQWIKDFYI PHGNKMLQPF DATA SEQUENCE APSYSAEMRL LSIYTGENMR LTRVTKSDAV NYEKKMYYLN KIVRNKVVVN DATA SEQUENCE FDYPNQEYDY FHMYFMLRTV YCNKTFPTTK AKVLFLQQSI FRFLNIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 D N 5.012 125.407 120.400 -0.007 0.000 2.564 2 D HA 0.282 nan 4.640 nan 0.000 0.226 2 D C -1.362 174.926 176.300 -0.019 0.000 1.149 2 D CA -0.816 53.175 54.000 -0.015 0.000 0.994 2 D CB -0.327 40.462 40.800 -0.019 0.000 1.029 2 D HN 0.226 8.595 8.370 -0.003 0.000 0.517 3 V N -1.615 118.288 119.914 -0.020 0.000 2.644 3 V HA 0.794 nan 4.120 nan 0.000 0.295 3 V C -1.526 174.547 176.094 -0.037 0.000 1.053 3 V CA -1.725 60.559 62.300 -0.026 0.000 0.987 3 V CB 1.103 32.913 31.823 -0.022 0.000 1.006 3 V HN -0.490 7.690 8.190 -0.017 0.000 0.472 4 V N 4.103 123.986 119.914 -0.052 0.000 3.264 4 V HA 0.389 nan 4.120 nan 0.000 0.294 4 V C -2.422 173.614 176.094 -0.096 0.000 1.429 4 V CA -0.612 61.649 62.300 -0.066 0.000 1.053 4 V CB 4.578 36.359 31.823 -0.071 0.000 1.128 4 V HN 0.819 8.976 8.190 -0.055 0.000 0.452 5 S N 2.192 117.837 115.700 -0.092 0.000 2.449 5 S HA 0.484 nan 4.470 nan 0.000 0.310 5 S C -1.719 172.805 174.600 -0.126 0.000 1.096 5 S CA -1.034 57.100 58.200 -0.109 0.000 1.095 5 S CB 0.886 64.049 63.200 -0.062 0.000 1.007 5 S HN 0.110 8.378 8.310 -0.070 0.000 0.474 6 L N 4.394 125.501 121.223 -0.194 0.000 2.401 6 L HA 0.171 nan 4.340 nan 0.000 0.266 6 L C -0.571 176.285 176.870 -0.025 0.000 0.991 6 L CA -0.058 54.697 54.840 -0.142 0.000 0.818 6 L CB 3.843 45.785 42.059 -0.194 0.000 1.321 6 L HN 0.177 8.246 8.230 -0.268 0.000 0.413 7 D N 1.502 121.921 120.400 0.032 0.000 2.120 7 D HA -0.041 nan 4.640 nan 0.000 0.202 7 D C -1.095 175.299 176.300 0.157 0.000 0.972 7 D CA 1.788 55.848 54.000 0.099 0.000 0.837 7 D CB 0.719 41.548 40.800 0.048 0.000 0.989 7 D HN 0.221 8.581 8.370 -0.016 0.000 0.469 8 K N -4.252 116.110 120.400 -0.064 0.000 2.533 8 K HA 0.288 nan 4.320 nan 0.000 0.272 8 K C -2.491 173.718 176.600 -0.652 0.000 0.985 8 K CA -3.054 52.857 56.287 -0.627 0.000 0.876 8 K CB 0.300 32.514 32.500 -0.476 0.000 1.452 8 K HN -0.777 7.426 8.250 -0.077 0.000 0.439 9 P HA 0.312 nan 4.420 nan 0.000 0.281 9 P C -0.884 176.071 177.300 -0.574 0.000 1.281 9 P CA -1.019 61.598 63.100 -0.806 0.000 0.811 9 P CB 0.803 31.780 31.700 -1.205 0.000 1.154 10 F N -0.591 119.191 119.950 -0.281 0.000 2.466 10 F HA -0.040 nan 4.527 nan 0.000 0.363 10 F C 0.440 175.999 175.800 -0.400 0.000 1.109 10 F CA 0.008 57.870 58.000 -0.231 0.000 1.161 10 F CB -0.304 38.620 39.000 -0.128 0.000 1.117 10 F HN 0.184 8.342 8.300 -0.236 0.000 0.539 11 M N 2.552 122.072 119.600 -0.134 0.000 2.357 11 M HA -0.025 nan 4.480 nan 0.000 0.266 11 M C -1.248 174.745 176.300 -0.512 0.000 1.095 11 M CA 0.627 55.714 55.300 -0.355 0.000 1.156 11 M CB 1.043 33.446 32.600 -0.330 0.000 1.365 11 M HN 0.584 9.215 8.290 -0.014 -0.349 0.447 12 Y N -4.722 115.656 120.300 0.130 0.000 2.576 12 Y HA 0.210 nan 4.550 nan 0.000 0.346 12 Y C 0.923 176.907 175.900 0.140 0.000 1.018 12 Y CA -1.401 56.800 58.100 0.168 0.000 1.050 12 Y CB 2.482 41.040 38.460 0.163 0.000 1.280 12 Y HN -1.005 7.557 8.280 0.160 -0.185 0.474 13 F N 3.532 123.630 119.950 0.247 0.000 2.087 13 F HA -0.483 nan 4.527 nan 0.000 0.299 13 F C 1.289 177.122 175.800 0.055 0.000 1.100 13 F CA 4.566 62.654 58.000 0.147 0.000 1.226 13 F CB 0.441 39.581 39.000 0.234 0.000 0.983 13 F HN 0.114 8.760 8.300 0.576 0.000 0.479 14 E N -3.131 117.067 120.200 -0.003 0.000 2.267 14 E HA -0.332 nan 4.350 nan 0.000 0.197 14 E C 1.225 177.715 176.600 -0.184 0.000 0.998 14 E CA 2.642 58.968 56.400 -0.124 0.000 0.830 14 E CB -1.059 28.668 29.700 0.044 0.000 0.751 14 E HN 0.495 9.000 8.360 0.266 0.015 0.491 15 E N -3.246 116.888 120.200 -0.110 0.000 2.208 15 E HA -0.182 nan 4.350 nan 0.000 0.193 15 E C 0.647 177.014 176.600 -0.388 0.000 0.988 15 E CA 0.559 56.918 56.400 -0.068 0.000 0.828 15 E CB 0.394 30.196 29.700 0.170 0.000 0.763 15 E HN -0.574 7.615 8.360 -0.022 0.158 0.478 16 I N 1.324 121.431 120.570 -0.772 0.000 2.769 16 I HA -0.290 nan 4.170 nan 0.000 0.285 16 I C -0.080 175.664 176.117 -0.622 0.000 1.173 16 I CA 0.981 61.592 61.300 -1.149 0.000 1.389 16 I CB -0.411 37.089 38.000 -0.832 0.000 1.404 16 I HN -0.722 6.972 8.210 -0.632 0.137 0.544 17 D N 4.929 125.061 120.400 -0.447 0.000 2.358 17 D HA -0.049 nan 4.640 nan 0.000 0.224 17 D C -1.637 174.487 176.300 -0.293 0.000 1.123 17 D CA -0.052 53.817 54.000 -0.218 0.000 0.833 17 D CB -0.186 40.600 40.800 -0.022 0.000 0.946 17 D HN 0.218 8.255 8.370 -0.555 0.000 0.505 18 N N -2.242 116.169 118.700 -0.480 0.000 3.116 18 N HA 0.040 nan 4.740 nan 0.000 0.244 18 N C -2.712 172.409 175.510 -0.648 0.000 1.485 18 N CA -0.550 52.048 53.050 -0.753 0.000 0.884 18 N CB 3.014 40.676 38.487 -1.375 0.000 1.415 18 N HN -0.704 7.368 8.380 -0.409 0.062 0.524 19 E N -3.803 116.121 120.200 -0.459 0.000 2.430 19 E HA 0.447 nan 4.350 nan 0.000 0.279 19 E C -2.372 174.248 176.600 0.033 0.000 1.003 19 E CA -1.129 55.223 56.400 -0.079 0.000 0.801 19 E CB 3.457 33.142 29.700 -0.025 0.000 1.313 19 E HN 0.030 8.114 8.360 -0.459 0.000 0.459 20 L N -0.075 121.280 121.223 0.220 0.000 2.434 20 L HA 0.272 nan 4.340 nan 0.000 0.260 20 L C -1.863 175.191 176.870 0.305 0.000 0.983 20 L CA -1.247 53.756 54.840 0.273 0.000 0.820 20 L CB 3.730 46.025 42.059 0.394 0.000 1.361 20 L HN 0.165 8.453 8.230 0.283 0.112 0.410 21 D N 1.512 122.024 120.400 0.187 0.000 2.450 21 D HA -0.073 nan 4.640 nan 0.000 0.247 21 D C -1.445 174.844 176.300 -0.018 0.000 1.162 21 D CA 0.662 54.717 54.000 0.092 0.000 0.879 21 D CB 0.218 41.037 40.800 0.032 0.000 1.163 21 D HN -0.167 8.295 8.370 0.154 0.000 0.472 22 Y N 2.455 122.576 120.300 -0.298 0.000 2.526 22 Y HA -0.172 nan 4.550 nan 0.000 0.330 22 Y C -0.800 174.679 175.900 -0.702 0.000 1.156 22 Y CA 0.843 58.434 58.100 -0.848 0.000 1.419 22 Y CB 0.757 38.907 38.460 -0.517 0.000 1.250 22 Y HN 0.126 8.447 8.280 0.069 0.000 0.540 23 E N 8.402 127.576 120.200 -1.710 0.000 2.073 23 E HA 0.342 nan 4.350 nan 0.000 0.269 23 E C -1.182 174.638 176.600 -1.300 0.000 0.917 23 E CA -3.983 51.812 56.400 -1.007 0.000 0.757 23 E CB 0.407 29.810 29.700 -0.495 0.000 1.111 23 E HN 0.092 6.868 8.360 -2.640 0.000 0.410 24 P HA -0.172 nan 4.420 nan 0.000 0.223 24 P C 0.976 178.071 177.300 -0.341 0.000 1.144 24 P CA 2.111 64.913 63.100 -0.496 0.000 0.783 24 P CB 0.137 31.742 31.700 -0.158 0.000 0.771 25 E N -0.782 119.214 120.200 -0.339 0.000 2.204 25 E HA -0.179 nan 4.350 nan 0.000 0.194 25 E C 2.261 178.713 176.600 -0.246 0.000 0.989 25 E CA 2.789 59.055 56.400 -0.222 0.000 0.824 25 E CB -1.041 28.553 29.700 -0.175 0.000 0.756 25 E HN 0.632 8.690 8.360 -0.393 0.066 0.477 26 S N 0.219 115.675 115.700 -0.406 0.000 2.442 26 S HA -0.246 nan 4.470 nan 0.000 0.236 26 S C 1.913 176.292 174.600 -0.369 0.000 1.007 26 S CA 2.518 60.363 58.200 -0.591 0.000 0.965 26 S CB -0.178 62.417 63.200 -1.008 0.000 0.773 26 S HN -0.008 7.843 8.310 -0.523 0.145 0.504 27 A N 1.448 124.161 122.820 -0.178 0.000 2.121 27 A HA -0.085 nan 4.320 nan 0.000 0.218 27 A C 1.206 178.797 177.584 0.010 0.000 1.154 27 A CA 2.223 54.252 52.037 -0.014 0.000 0.679 27 A CB -0.515 18.492 19.000 0.013 0.000 0.795 27 A HN -0.247 7.627 8.150 -0.213 0.148 0.458 28 N N -3.903 114.781 118.700 -0.026 0.000 2.336 28 N HA 0.037 nan 4.740 nan 0.000 0.189 28 N C -0.527 175.000 175.510 0.028 0.000 1.113 28 N CA 0.199 53.249 53.050 0.000 0.000 0.858 28 N CB 0.725 39.200 38.487 -0.020 0.000 0.970 28 N HN -0.354 7.820 8.380 -0.078 0.159 0.471 29 E N 0.045 120.277 120.200 0.053 0.000 2.349 29 E HA 0.030 nan 4.350 nan 0.000 0.262 29 E C -0.250 176.439 176.600 0.149 0.000 1.088 29 E CA -0.322 56.148 56.400 0.116 0.000 0.899 29 E CB 1.273 31.091 29.700 0.197 0.000 1.044 29 E HN -0.773 7.419 8.360 0.028 0.186 0.420 30 V N 3.396 123.382 119.914 0.121 0.000 2.506 30 V HA -0.139 nan 4.120 nan 0.000 0.296 30 V C 1.056 177.215 176.094 0.109 0.000 1.004 30 V CA 0.364 62.721 62.300 0.095 0.000 1.150 30 V CB -0.486 31.381 31.823 0.072 0.000 0.911 30 V HN 0.323 8.578 8.190 0.108 0.000 0.476 31 A N 6.956 129.835 122.820 0.098 0.000 1.970 31 A HA 0.042 nan 4.320 nan 0.000 0.216 31 A C -0.325 177.295 177.584 0.061 0.000 1.170 31 A CA 2.271 54.364 52.037 0.093 0.000 0.645 31 A CB 0.252 19.309 19.000 0.096 0.000 0.816 31 A HN 0.489 8.691 8.150 0.087 0.000 0.447 32 K N -3.409 117.023 120.400 0.054 0.000 2.498 32 K HA 0.210 nan 4.320 nan 0.000 0.254 32 K C -1.644 174.986 176.600 0.051 0.000 0.933 32 K CA -0.686 55.632 56.287 0.051 0.000 0.806 32 K CB 1.658 34.181 32.500 0.038 0.000 1.301 32 K HN -0.347 7.935 8.250 0.054 0.000 0.432 33 K N -0.237 120.207 120.400 0.073 0.000 2.391 33 K HA 0.119 nan 4.320 nan 0.000 0.197 33 K C -0.238 176.408 176.600 0.076 0.000 1.087 33 K CA 0.588 56.925 56.287 0.083 0.000 1.012 33 K CB 0.315 32.887 32.500 0.120 0.000 0.925 33 K HN 0.403 8.708 8.250 0.093 0.000 0.547 34 L N 1.500 122.759 121.223 0.061 0.000 2.342 34 L HA 0.470 nan 4.340 nan 0.000 0.271 34 L C -2.359 174.458 176.870 -0.088 0.000 1.008 34 L CA -3.502 51.343 54.840 0.009 0.000 0.818 34 L CB 1.879 43.935 42.059 -0.005 0.000 1.296 34 L HN -0.630 7.639 8.230 0.066 0.000 0.427 35 P HA 0.005 nan 4.420 nan 0.000 0.271 35 P C -1.497 175.597 177.300 -0.343 0.000 1.218 35 P CA 0.241 63.097 63.100 -0.408 0.000 0.780 35 P CB 0.328 31.703 31.700 -0.541 0.000 0.901 36 Y N -4.915 115.340 120.300 -0.075 0.000 3.825 36 Y HA -0.422 nan 4.550 nan 0.000 0.221 36 Y C 1.062 176.889 175.900 -0.123 0.000 1.195 36 Y CA 0.559 58.608 58.100 -0.085 0.000 1.699 36 Y CB -3.201 35.198 38.460 -0.101 0.000 1.531 36 Y HN 0.219 8.167 8.280 -0.554 0.000 0.640 37 Q N 0.343 120.128 119.800 -0.025 0.000 2.181 37 Q HA -0.406 nan 4.340 nan 0.000 0.205 37 Q C 1.621 177.609 176.000 -0.020 0.000 0.980 37 Q CA 3.770 59.542 55.803 -0.052 0.000 0.862 37 Q CB -0.316 28.426 28.738 0.007 0.000 0.905 37 Q HN -0.578 7.631 8.270 -0.055 0.028 0.429 38 G N -2.663 106.147 108.800 0.017 0.000 2.408 38 G HA2 -0.318 nan 3.960 nan 0.000 0.217 38 G HA3 -0.318 nan 3.960 nan 0.000 0.217 38 G C 1.501 176.395 174.900 -0.011 0.000 1.150 38 G CA 1.655 46.769 45.100 0.023 0.000 0.776 38 G HN 0.509 8.798 8.290 0.027 0.017 0.542 39 Q N 1.482 121.290 119.800 0.014 0.000 2.119 39 Q HA -0.155 nan 4.340 nan 0.000 0.201 39 Q C 2.524 178.452 176.000 -0.120 0.000 0.972 39 Q CA 2.248 58.047 55.803 -0.007 0.000 0.847 39 Q CB -0.463 28.336 28.738 0.101 0.000 0.903 39 Q HN -0.583 7.624 8.270 0.057 0.096 0.433 40 L N 0.880 122.018 121.223 -0.141 0.000 2.017 40 L HA -0.311 nan 4.340 nan 0.000 0.208 40 L C 1.307 178.078 176.870 -0.165 0.000 1.073 40 L CA 2.994 57.691 54.840 -0.238 0.000 0.745 40 L CB -0.340 41.450 42.059 -0.448 0.000 0.894 40 L HN -0.169 7.924 8.230 -0.111 0.071 0.432 41 K N -0.742 119.605 120.400 -0.088 0.000 2.020 41 K HA -0.388 nan 4.320 nan 0.000 0.212 41 K C 2.393 178.957 176.600 -0.061 0.000 1.050 41 K CA 3.637 59.915 56.287 -0.014 0.000 0.929 41 K CB -0.176 32.338 32.500 0.023 0.000 0.714 41 K HN -0.163 8.039 8.250 -0.079 0.000 0.443 42 L N -1.973 119.161 121.223 -0.147 0.000 2.017 42 L HA -0.329 nan 4.340 nan 0.000 0.208 42 L C 2.318 179.055 176.870 -0.222 0.000 1.073 42 L CA 2.738 57.443 54.840 -0.225 0.000 0.745 42 L CB -0.174 41.591 42.059 -0.489 0.000 0.894 42 L HN -0.463 7.674 8.230 -0.156 0.000 0.432 43 L N -0.853 120.193 121.223 -0.295 0.000 2.042 43 L HA -0.340 nan 4.340 nan 0.000 0.210 43 L C 1.849 178.757 176.870 0.064 0.000 1.076 43 L CA 3.201 58.041 54.840 -0.001 0.000 0.749 43 L CB -0.516 41.535 42.059 -0.012 0.000 0.893 43 L HN -0.123 7.892 8.230 -0.358 0.000 0.432 44 L N -2.768 118.457 121.223 0.003 0.000 2.027 44 L HA -0.399 nan 4.340 nan 0.000 0.206 44 L C 2.251 179.191 176.870 0.115 0.000 1.074 44 L CA 3.227 58.088 54.840 0.035 0.000 0.745 44 L CB -0.801 41.248 42.059 -0.016 0.000 0.898 44 L HN 0.015 8.215 8.230 -0.051 0.000 0.433 45 G N -1.954 106.908 108.800 0.102 0.000 2.421 45 G HA2 -0.378 nan 3.960 nan 0.000 0.216 45 G HA3 -0.378 nan 3.960 nan 0.000 0.216 45 G C 1.089 176.183 174.900 0.324 0.000 1.171 45 G CA 2.028 47.238 45.100 0.184 0.000 0.775 45 G HN -0.362 7.954 8.290 0.044 0.000 0.543 46 E N 2.228 122.613 120.200 0.309 0.000 2.150 46 E HA -0.291 nan 4.350 nan 0.000 0.193 46 E C 2.557 179.440 176.600 0.471 0.000 0.985 46 E CA 2.547 59.206 56.400 0.432 0.000 0.814 46 E CB -0.237 29.751 29.700 0.481 0.000 0.752 46 E HN -0.202 8.297 8.360 0.231 0.000 0.466 47 L N -0.557 120.903 121.223 0.394 0.000 2.072 47 L HA -0.305 nan 4.340 nan 0.000 0.205 47 L C 1.687 178.792 176.870 0.391 0.000 1.079 47 L CA 2.748 57.812 54.840 0.374 0.000 0.752 47 L CB -0.013 42.167 42.059 0.203 0.000 0.906 47 L HN -0.174 8.167 8.230 0.322 0.082 0.436 48 F N 0.828 120.904 119.950 0.210 0.000 2.046 48 F HA -0.460 nan 4.527 nan 0.000 0.297 48 F C 1.496 177.453 175.800 0.260 0.000 1.123 48 F CA 3.611 61.725 58.000 0.191 0.000 1.199 48 F CB -0.069 39.017 39.000 0.142 0.000 0.972 48 F HN -0.160 8.418 8.300 0.464 0.000 0.474 49 F N -0.256 119.765 119.950 0.118 0.000 2.065 49 F HA -0.429 nan 4.527 nan 0.000 0.298 49 F C 1.540 177.320 175.800 -0.033 0.000 1.112 49 F CA 3.267 61.262 58.000 -0.009 0.000 1.212 49 F CB -0.097 38.954 39.000 0.085 0.000 0.975 49 F HN -0.035 8.616 8.300 0.586 0.000 0.476 50 L N -2.608 118.540 121.223 -0.126 0.000 2.131 50 L HA -0.385 nan 4.340 nan 0.000 0.210 50 L C 2.524 179.323 176.870 -0.119 0.000 1.092 50 L CA 2.215 56.866 54.840 -0.316 0.000 0.759 50 L CB -1.559 40.424 42.059 -0.126 0.000 0.903 50 L HN -0.214 8.157 8.230 0.236 0.000 0.435 51 S N -0.632 115.187 115.700 0.199 0.000 2.402 51 S HA -0.325 nan 4.470 nan 0.000 0.229 51 S C 1.666 176.377 174.600 0.186 0.000 1.021 51 S CA 4.176 62.606 58.200 0.383 0.000 0.974 51 S CB -0.443 63.005 63.200 0.413 0.000 0.800 51 S HN -0.062 8.393 8.310 0.242 0.000 0.484 52 K N 2.749 123.099 120.400 -0.083 0.000 2.026 52 K HA -0.294 nan 4.320 nan 0.000 0.208 52 K C 2.026 178.453 176.600 -0.288 0.000 1.048 52 K CA 3.324 59.492 56.287 -0.198 0.000 0.929 52 K CB -0.211 32.078 32.500 -0.351 0.000 0.713 52 K HN -0.633 7.430 8.250 -0.152 0.096 0.439 53 L N -2.342 118.637 121.223 -0.407 0.000 2.079 53 L HA -0.426 nan 4.340 nan 0.000 0.210 53 L C 1.904 178.644 176.870 -0.216 0.000 1.081 53 L CA 2.894 57.499 54.840 -0.391 0.000 0.752 53 L CB -0.654 41.083 42.059 -0.536 0.000 0.896 53 L HN -0.374 7.566 8.230 -0.484 0.000 0.433 54 Q N -0.692 118.996 119.800 -0.188 0.000 2.046 54 Q HA -0.352 nan 4.340 nan 0.000 0.200 54 Q C 2.805 178.733 176.000 -0.120 0.000 0.975 54 Q CA 3.450 59.150 55.803 -0.172 0.000 0.836 54 Q CB -0.299 28.337 28.738 -0.170 0.000 0.896 54 Q HN -0.219 7.843 8.270 -0.190 0.094 0.428 55 R N -0.612 119.891 120.500 0.005 0.000 2.105 55 R HA -0.284 nan 4.340 nan 0.000 0.239 55 R C 2.043 178.447 176.300 0.173 0.000 1.135 55 R CA 2.645 58.832 56.100 0.146 0.000 0.967 55 R CB -0.027 30.476 30.300 0.339 0.000 0.861 55 R HN -0.065 8.168 8.270 0.056 0.070 0.442 56 H N -4.551 114.484 119.070 -0.059 0.000 2.533 56 H HA 0.050 nan 4.556 nan 0.000 0.271 56 H C 0.021 175.304 175.328 -0.075 0.000 1.000 56 H CA -0.494 55.519 56.048 -0.058 0.000 1.149 56 H CB 0.188 29.912 29.762 -0.063 0.000 1.375 56 H HN -0.322 7.995 8.280 0.239 0.106 0.582 57 G N 0.318 109.128 108.800 0.016 0.000 2.179 57 G HA2 -0.359 nan 3.960 nan 0.000 0.257 57 G HA3 -0.359 nan 3.960 nan 0.000 0.257 57 G C 0.248 175.115 174.900 -0.056 0.000 1.010 57 G CA 1.102 46.177 45.100 -0.041 0.000 0.736 57 G HN 0.308 8.376 8.290 0.005 0.225 0.513 58 I N -6.255 114.273 120.570 -0.070 0.000 3.976 58 I HA 0.196 nan 4.170 nan 0.000 0.337 58 I C -0.136 175.886 176.117 -0.158 0.000 1.359 58 I CA -0.659 60.584 61.300 -0.095 0.000 1.098 58 I CB 0.513 38.470 38.000 -0.071 0.000 1.027 58 I HN 0.086 8.220 8.210 -0.065 0.036 0.394 59 L N 1.170 122.272 121.223 -0.201 0.000 2.145 59 L HA -0.032 nan 4.340 nan 0.000 0.201 59 L C -0.497 176.237 176.870 -0.227 0.000 1.075 59 L CA 1.878 56.553 54.840 -0.275 0.000 0.773 59 L CB 0.756 42.593 42.059 -0.370 0.000 0.936 59 L HN -0.495 7.574 8.230 -0.179 0.054 0.451 60 D N -2.114 118.182 120.400 -0.173 0.000 2.487 60 D HA -0.255 nan 4.640 nan 0.000 0.243 60 D C 0.952 177.183 176.300 -0.116 0.000 1.154 60 D CA 2.173 56.095 54.000 -0.130 0.000 0.876 60 D CB -0.109 40.631 40.800 -0.100 0.000 1.161 60 D HN -0.605 7.666 8.370 -0.165 0.000 0.478 61 G N 5.692 114.426 108.800 -0.110 0.000 2.176 61 G HA2 -0.468 nan 3.960 nan 0.000 0.253 61 G HA3 -0.468 nan 3.960 nan 0.000 0.253 61 G C -1.305 173.529 174.900 -0.111 0.000 0.979 61 G CA 0.096 45.139 45.100 -0.095 0.000 0.641 61 G HN 0.891 9.011 8.290 -0.113 0.102 0.530 62 A N 0.623 123.353 122.820 -0.150 0.000 2.257 62 A HA 0.586 nan 4.320 nan 0.000 0.289 62 A C -1.444 176.026 177.584 -0.190 0.000 1.095 62 A CA -0.955 50.986 52.037 -0.160 0.000 0.836 62 A CB 1.622 20.509 19.000 -0.189 0.000 1.111 62 A HN -0.335 7.649 8.150 -0.172 0.063 0.497 63 T N 0.800 115.255 114.554 -0.166 0.000 2.786 63 T HA 0.458 nan 4.350 nan 0.000 0.283 63 T C -1.269 173.314 174.700 -0.195 0.000 0.992 63 T CA -0.170 61.828 62.100 -0.170 0.000 0.954 63 T CB 1.112 69.928 68.868 -0.086 0.000 0.934 63 T HN -0.081 8.081 8.240 -0.130 0.000 0.440 64 V N 8.259 127.983 119.914 -0.318 0.000 2.406 64 V HA 0.547 nan 4.120 nan 0.000 0.272 64 V C -1.310 174.768 176.094 -0.027 0.000 1.043 64 V CA -0.270 61.879 62.300 -0.253 0.000 0.915 64 V CB 0.639 32.116 31.823 -0.577 0.000 0.988 64 V HN 0.867 8.788 8.190 -0.449 0.000 0.466 65 V N 8.631 128.577 119.914 0.053 0.000 2.333 65 V HA 0.467 nan 4.120 nan 0.000 0.274 65 V C -1.729 174.495 176.094 0.217 0.000 1.028 65 V CA -1.308 61.072 62.300 0.133 0.000 0.851 65 V CB 0.106 31.983 31.823 0.089 0.000 1.000 65 V HN 0.766 8.973 8.190 0.028 0.000 0.456 66 Y N 9.485 129.888 120.300 0.171 0.000 2.334 66 Y HA 0.624 nan 4.550 nan 0.000 0.336 66 Y C -2.394 173.619 175.900 0.188 0.000 0.960 66 Y CA -2.711 55.512 58.100 0.205 0.000 1.164 66 Y CB 2.141 40.763 38.460 0.270 0.000 1.155 66 Y HN 0.709 9.219 8.280 0.383 0.000 0.478 67 I N 6.713 127.554 120.570 0.451 0.000 2.378 67 I HA 0.407 nan 4.170 nan 0.000 0.291 67 I C -0.697 175.661 176.117 0.400 0.000 0.992 67 I CA -0.709 60.802 61.300 0.352 0.000 1.154 67 I CB 1.633 39.772 38.000 0.232 0.000 1.315 67 I HN 0.652 9.035 8.210 0.287 0.000 0.448 68 G N 6.453 115.454 108.800 0.335 0.000 2.204 68 G HA2 -0.387 nan 3.960 nan 0.000 0.244 68 G HA3 -0.387 nan 3.960 nan 0.000 0.244 68 G C -0.163 174.941 174.900 0.340 0.000 1.062 68 G CA 0.384 45.662 45.100 0.297 0.000 0.798 68 G HN 0.639 9.095 8.290 0.276 0.000 0.496 69 S N -0.301 115.532 115.700 0.222 0.000 2.496 69 S HA -0.099 nan 4.470 nan 0.000 0.224 69 S C 0.331 174.893 174.600 -0.064 0.000 0.996 69 S CA 0.693 58.806 58.200 -0.145 0.000 0.927 69 S CB 0.488 63.578 63.200 -0.183 0.000 0.774 69 S HN -0.622 7.838 8.310 0.251 0.000 0.524 70 A N 2.850 125.610 122.820 -0.099 0.000 2.354 70 A HA 0.310 nan 4.320 nan 0.000 0.269 70 A C -1.509 176.043 177.584 -0.054 0.000 1.109 70 A CA -2.218 49.687 52.037 -0.220 0.000 0.800 70 A CB 0.331 19.010 19.000 -0.535 0.000 1.045 70 A HN -0.461 7.947 8.150 -0.079 -0.306 0.489 71 P HA -0.120 nan 4.420 nan 0.000 0.219 71 P C 0.202 177.518 177.300 0.028 0.000 1.150 71 P CA 0.705 63.795 63.100 -0.017 0.000 0.814 71 P CB 0.619 32.333 31.700 0.023 0.000 0.787 72 G N -3.114 105.698 108.800 0.019 0.000 2.147 72 G HA2 -0.430 nan 3.960 nan 0.000 0.244 72 G HA3 -0.430 nan 3.960 nan 0.000 0.244 72 G C 1.131 175.947 174.900 -0.139 0.000 1.005 72 G CA 0.482 45.524 45.100 -0.096 0.000 0.713 72 G HN 0.203 8.527 8.290 0.057 0.000 0.515 73 T N 3.642 118.197 114.554 0.002 0.000 2.620 73 T HA -0.401 nan 4.350 nan 0.000 0.267 73 T C 1.981 176.751 174.700 0.117 0.000 1.044 73 T CA 4.345 66.477 62.100 0.053 0.000 1.161 73 T CB -0.733 68.166 68.868 0.053 0.000 0.862 73 T HN 0.153 8.423 8.240 0.050 0.000 0.438 74 H N 0.974 120.121 119.070 0.127 0.000 2.489 74 H HA -0.224 nan 4.556 nan 0.000 0.295 74 H C 1.686 177.025 175.328 0.018 0.000 1.082 74 H CA 2.938 59.051 56.048 0.107 0.000 1.295 74 H CB -0.986 28.817 29.762 0.067 0.000 1.380 74 H HN 0.180 8.985 8.280 0.252 -0.373 0.548 75 I N 0.240 120.314 120.570 -0.827 0.000 2.454 75 I HA -0.481 nan 4.170 nan 0.000 0.254 75 I C 1.507 177.346 176.117 -0.465 0.000 1.156 75 I CA 3.096 64.023 61.300 -0.622 0.000 1.433 75 I CB -0.692 36.949 38.000 -0.599 0.000 1.082 75 I HN 0.171 7.699 8.210 -0.850 0.171 0.432 76 R N 0.049 120.364 120.500 -0.309 0.000 2.081 76 R HA -0.345 nan 4.340 nan 0.000 0.235 76 R C 1.485 177.559 176.300 -0.378 0.000 1.131 76 R CA 2.826 58.775 56.100 -0.252 0.000 0.960 76 R CB -0.955 29.365 30.300 0.034 0.000 0.856 76 R HN -0.438 7.678 8.270 -0.218 0.024 0.436 77 Y N -0.898 118.964 120.300 -0.730 0.000 2.114 77 Y HA -0.311 nan 4.550 nan 0.000 0.284 77 Y C 1.756 177.450 175.900 -0.344 0.000 1.143 77 Y CA 3.456 61.048 58.100 -0.847 0.000 1.135 77 Y CB -0.187 37.630 38.460 -1.071 0.000 0.980 77 Y HN -0.877 7.040 8.280 -0.459 0.087 0.499 78 L N -1.822 119.379 121.223 -0.036 0.000 1.990 78 L HA -0.565 nan 4.340 nan 0.000 0.213 78 L C 2.099 179.017 176.870 0.080 0.000 1.072 78 L CA 3.331 58.246 54.840 0.126 0.000 0.755 78 L CB -0.526 41.671 42.059 0.231 0.000 0.889 78 L HN -0.468 7.756 8.230 -0.010 0.000 0.432 79 R N -1.310 119.005 120.500 -0.308 0.000 2.096 79 R HA -0.458 nan 4.340 nan 0.000 0.240 79 R C 2.162 178.454 176.300 -0.012 0.000 1.139 79 R CA 3.261 59.184 56.100 -0.296 0.000 0.952 79 R CB -0.693 29.145 30.300 -0.770 0.000 0.854 79 R HN 0.089 8.050 8.270 -0.515 0.000 0.436 80 D N -1.417 118.875 120.400 -0.180 0.000 2.117 80 D HA -0.246 nan 4.640 nan 0.000 0.197 80 D C 2.230 178.477 176.300 -0.087 0.000 0.987 80 D CA 3.355 57.270 54.000 -0.141 0.000 0.829 80 D CB -0.608 40.032 40.800 -0.267 0.000 0.961 80 D HN -0.286 7.906 8.370 -0.297 0.000 0.460 81 H N 1.839 120.708 119.070 -0.334 0.000 2.289 81 H HA -0.357 nan 4.556 nan 0.000 0.296 81 H C 2.414 177.582 175.328 -0.266 0.000 1.091 81 H CA 4.066 59.883 56.048 -0.384 0.000 1.274 81 H CB 0.186 29.616 29.762 -0.554 0.000 1.364 81 H HN -0.133 7.981 8.280 -0.277 0.000 0.490 82 F N -3.040 116.975 119.950 0.108 0.000 2.367 82 F HA -0.307 nan 4.527 nan 0.000 0.298 82 F C 1.557 177.401 175.800 0.074 0.000 1.094 82 F CA 3.252 61.302 58.000 0.084 0.000 1.409 82 F CB -0.366 38.782 39.000 0.247 0.000 1.064 82 F HN -0.523 7.890 8.300 0.187 0.000 0.528 83 Y N 0.456 120.846 120.300 0.151 0.000 2.242 83 Y HA -0.514 nan 4.550 nan 0.000 0.291 83 Y C 2.193 178.097 175.900 0.006 0.000 1.137 83 Y CA 4.128 62.282 58.100 0.091 0.000 1.181 83 Y CB 0.036 38.537 38.460 0.069 0.000 0.989 83 Y HN 0.117 8.630 8.280 0.390 0.000 0.527 84 N N -0.615 118.136 118.700 0.084 0.000 2.457 84 N HA -0.209 nan 4.740 nan 0.000 0.180 84 N C 0.978 176.426 175.510 -0.104 0.000 1.050 84 N CA 2.396 55.438 53.050 -0.014 0.000 0.906 84 N CB 0.117 38.607 38.487 0.005 0.000 0.968 84 N HN 0.131 8.578 8.380 0.110 0.000 0.445 85 L N -2.821 118.319 121.223 -0.139 0.000 2.492 85 L HA 0.027 nan 4.340 nan 0.000 0.223 85 L C 0.577 177.397 176.870 -0.083 0.000 1.132 85 L CA 0.675 55.439 54.840 -0.127 0.000 0.850 85 L CB 0.265 42.223 42.059 -0.168 0.000 0.966 85 L HN -0.418 7.574 8.230 -0.131 0.159 0.454 86 G N -2.503 106.233 108.800 -0.105 0.000 2.176 86 G HA2 -0.350 nan 3.960 nan 0.000 0.232 86 G HA3 -0.350 nan 3.960 nan 0.000 0.232 86 G C -0.225 174.628 174.900 -0.078 0.000 0.986 86 G CA -0.089 44.941 45.100 -0.117 0.000 0.643 86 G HN -0.717 7.339 8.290 -0.125 0.159 0.522 87 V N 1.607 121.514 119.914 -0.011 0.000 2.572 87 V HA -0.104 nan 4.120 nan 0.000 0.291 87 V C 0.189 176.288 176.094 0.009 0.000 1.039 87 V CA 0.327 62.635 62.300 0.014 0.000 1.055 87 V CB 0.080 31.964 31.823 0.101 0.000 0.969 87 V HN -0.466 7.682 8.190 0.022 0.055 0.482 88 I N 7.427 127.981 120.570 -0.026 0.000 2.312 88 I HA 0.200 nan 4.170 nan 0.000 0.291 88 I C -1.253 174.846 176.117 -0.030 0.000 1.031 88 I CA -1.145 60.146 61.300 -0.015 0.000 1.293 88 I CB -0.946 37.033 38.000 -0.035 0.000 1.403 88 I HN -0.372 8.010 8.210 -0.046 -0.200 0.484 89 I N 6.383 126.959 120.570 0.010 0.000 2.722 89 I HA 0.346 nan 4.170 nan 0.000 0.295 89 I C -1.630 174.449 176.117 -0.064 0.000 1.161 89 I CA -1.349 59.879 61.300 -0.119 0.000 1.032 89 I CB 4.028 41.878 38.000 -0.249 0.000 1.244 89 I HN 0.206 8.478 8.210 0.104 0.000 0.421 90 K N 2.966 123.273 120.400 -0.156 0.000 2.164 90 K HA 0.539 nan 4.320 nan 0.000 0.258 90 K C -1.567 174.934 176.600 -0.165 0.000 0.951 90 K CA -1.497 54.772 56.287 -0.029 0.000 0.844 90 K CB 2.377 34.870 32.500 -0.012 0.000 1.099 90 K HN 0.108 8.223 8.250 -0.226 0.000 0.435 91 W N 0.898 122.218 121.300 0.033 0.000 2.666 91 W HA 0.633 nan 4.660 nan 0.000 0.334 91 W C -1.125 175.408 176.519 0.023 0.000 1.051 91 W CA -1.316 56.053 57.345 0.040 0.000 1.224 91 W CB 3.041 32.520 29.460 0.032 0.000 1.405 91 W HN 0.889 9.278 8.180 0.349 0.000 0.513 92 M N 3.375 123.114 119.600 0.231 0.000 2.067 92 M HA 0.673 nan 4.480 nan 0.000 0.286 92 M C -2.499 173.910 176.300 0.182 0.000 0.922 92 M CA -0.383 55.009 55.300 0.154 0.000 0.937 92 M CB 2.407 35.073 32.600 0.111 0.000 1.550 92 M HN 0.885 9.321 8.290 0.244 0.000 0.433 93 L N 6.280 127.558 121.223 0.091 0.000 2.287 93 L HA 0.778 nan 4.340 nan 0.000 0.287 93 L C -1.641 175.284 176.870 0.091 0.000 1.022 93 L CA -0.844 54.029 54.840 0.055 0.000 0.814 93 L CB 1.049 42.967 42.059 -0.235 0.000 1.217 93 L HN 1.094 9.339 8.230 0.025 0.000 0.420 94 I N 2.606 123.302 120.570 0.210 0.000 2.466 94 I HA 0.621 nan 4.170 nan 0.000 0.289 94 I C -2.185 174.021 176.117 0.148 0.000 1.026 94 I CA -0.881 60.528 61.300 0.182 0.000 1.078 94 I CB 2.044 40.166 38.000 0.204 0.000 1.249 94 I HN 0.778 9.143 8.210 0.259 0.000 0.429 95 D N 7.127 127.528 120.400 0.002 0.000 2.685 95 D HA 0.087 nan 4.640 nan 0.000 0.236 95 D C -0.422 175.600 176.300 -0.464 0.000 1.233 95 D CA -0.087 53.822 54.000 -0.152 0.000 0.760 95 D CB 4.370 45.072 40.800 -0.163 0.000 1.410 95 D HN -0.046 8.309 8.370 -0.025 0.000 0.439 96 G N 0.097 108.326 108.800 -0.953 0.000 2.712 96 G HA2 -0.059 nan 3.960 nan 0.000 0.212 96 G HA3 -0.059 nan 3.960 nan 0.000 0.212 96 G C -0.318 174.195 174.900 -0.645 0.000 1.142 96 G CA 0.160 44.401 45.100 -1.432 0.000 0.789 96 G HN 0.385 8.161 8.290 -0.856 0.000 0.535 97 R N -1.686 118.579 120.500 -0.392 0.000 2.553 97 R HA 0.059 nan 4.340 nan 0.000 0.263 97 R C -0.777 175.349 176.300 -0.290 0.000 1.066 97 R CA -0.911 55.091 56.100 -0.162 0.000 1.135 97 R CB 1.347 31.602 30.300 -0.073 0.000 1.148 97 R HN -0.567 7.736 8.270 -0.393 -0.269 0.558 98 H N -0.507 118.437 119.070 -0.210 0.000 2.582 98 H HA 0.107 nan 4.556 nan 0.000 0.345 98 H C -0.461 174.725 175.328 -0.238 0.000 1.104 98 H CA 0.153 56.086 56.048 -0.191 0.000 1.390 98 H CB 1.002 30.716 29.762 -0.080 0.000 1.461 98 H HN 0.127 8.490 8.280 0.139 0.000 0.551 99 H N -0.162 118.881 119.070 -0.045 0.000 2.505 99 H HA 0.051 nan 4.556 nan 0.000 0.355 99 H C -0.490 174.829 175.328 -0.015 0.000 1.179 99 H CA 0.125 56.142 56.048 -0.051 0.000 1.343 99 H CB 1.281 30.985 29.762 -0.095 0.000 1.501 99 H HN 0.087 8.330 8.280 -0.062 0.000 0.569 100 D N 1.159 121.620 120.400 0.103 0.000 2.450 100 D HA 0.036 nan 4.640 nan 0.000 0.247 100 D C -0.227 176.095 176.300 0.036 0.000 1.162 100 D CA -1.112 52.914 54.000 0.045 0.000 0.879 100 D CB 0.608 41.417 40.800 0.016 0.000 1.163 100 D HN 0.016 8.352 8.370 0.109 0.099 0.472 101 P HA -0.140 nan 4.420 nan 0.000 0.224 101 P C 0.925 178.218 177.300 -0.011 0.000 1.142 101 P CA 1.684 64.792 63.100 0.013 0.000 0.778 101 P CB -0.136 31.570 31.700 0.010 0.000 0.764 102 I N -6.055 114.505 120.570 -0.018 0.000 2.916 102 I HA -0.304 nan 4.170 nan 0.000 0.267 102 I C 0.594 176.686 176.117 -0.043 0.000 1.263 102 I CA 2.608 63.894 61.300 -0.024 0.000 1.471 102 I CB -0.714 37.279 38.000 -0.011 0.000 1.089 102 I HN -0.558 7.837 8.210 -0.014 -0.194 0.468 103 L N -1.593 119.595 121.223 -0.057 0.000 2.446 103 L HA -0.147 nan 4.340 nan 0.000 0.219 103 L C -0.033 176.778 176.870 -0.099 0.000 1.116 103 L CA 0.399 55.173 54.840 -0.109 0.000 0.844 103 L CB -0.401 41.570 42.059 -0.147 0.000 0.970 103 L HN -0.022 8.017 8.230 -0.036 0.169 0.457 104 N N 0.257 118.920 118.700 -0.061 0.000 2.354 104 N HA -0.137 nan 4.740 nan 0.000 0.246 104 N C 0.268 175.748 175.510 -0.050 0.000 1.285 104 N CA 1.029 54.050 53.050 -0.047 0.000 0.925 104 N CB 0.605 39.079 38.487 -0.021 0.000 1.174 104 N HN -0.794 7.399 8.380 -0.044 0.160 0.478 105 G N -2.472 106.306 108.800 -0.037 0.000 2.179 105 G HA2 -0.299 nan 3.960 nan 0.000 0.257 105 G HA3 -0.299 nan 3.960 nan 0.000 0.257 105 G C -0.719 174.154 174.900 -0.045 0.000 1.010 105 G CA 0.253 45.332 45.100 -0.034 0.000 0.736 105 G HN 0.262 8.534 8.290 -0.030 0.000 0.513 106 L N -1.034 120.157 121.223 -0.054 0.000 2.305 106 L HA 0.183 nan 4.340 nan 0.000 0.284 106 L C 0.971 177.831 176.870 -0.017 0.000 1.013 106 L CA -1.496 53.306 54.840 -0.064 0.000 0.819 106 L CB 0.593 42.586 42.059 -0.110 0.000 1.227 106 L HN -0.405 7.760 8.230 -0.052 0.034 0.417 107 R N 4.243 124.747 120.500 0.007 0.000 2.127 107 R HA -0.312 nan 4.340 nan 0.000 0.238 107 R C -0.045 176.294 176.300 0.065 0.000 1.134 107 R CA 2.596 58.718 56.100 0.036 0.000 0.975 107 R CB -0.380 29.949 30.300 0.047 0.000 0.865 107 R HN 0.703 8.972 8.270 -0.001 0.000 0.447 108 D N -5.446 115.011 120.400 0.095 0.000 2.349 108 D HA -0.027 nan 4.640 nan 0.000 0.224 108 D C -1.407 175.019 176.300 0.211 0.000 1.029 108 D CA 0.323 54.424 54.000 0.168 0.000 0.879 108 D CB -0.118 40.839 40.800 0.260 0.000 0.906 108 D HN -0.223 8.154 8.370 0.070 0.036 0.528 109 V N -3.226 116.760 119.914 0.120 0.000 2.483 109 V HA 0.570 nan 4.120 nan 0.000 0.297 109 V C -1.427 174.692 176.094 0.042 0.000 1.027 109 V CA -1.859 60.511 62.300 0.117 0.000 0.855 109 V CB 1.671 33.498 31.823 0.007 0.000 0.995 109 V HN -0.645 7.419 8.190 0.060 0.161 0.424 110 T N 10.336 124.924 114.554 0.057 0.000 2.771 110 T HA 0.455 nan 4.350 nan 0.000 0.281 110 T C -1.447 173.233 174.700 -0.033 0.000 0.982 110 T CA -0.678 61.432 62.100 0.018 0.000 0.978 110 T CB 0.946 69.840 68.868 0.044 0.000 0.930 110 T HN 0.619 8.815 8.240 0.111 0.111 0.447 111 L N 5.629 126.804 121.223 -0.079 0.000 2.295 111 L HA 0.849 nan 4.340 nan 0.000 0.285 111 L C -0.885 175.958 176.870 -0.046 0.000 1.035 111 L CA -0.775 53.968 54.840 -0.162 0.000 0.806 111 L CB 1.159 43.089 42.059 -0.214 0.000 1.214 111 L HN 0.325 8.523 8.230 -0.053 0.000 0.426 112 V N 4.664 124.578 119.914 0.001 0.000 2.540 112 V HA 0.270 nan 4.120 nan 0.000 0.302 112 V C -0.834 175.244 176.094 -0.026 0.000 1.035 112 V CA -1.027 61.283 62.300 0.016 0.000 0.873 112 V CB 3.281 35.152 31.823 0.080 0.000 0.992 112 V HN 0.903 9.100 8.190 0.012 0.000 0.428 113 T N 8.906 123.390 114.554 -0.116 0.000 3.016 113 T HA 0.406 nan 4.350 nan 0.000 0.335 113 T C -1.325 173.208 174.700 -0.277 0.000 1.176 113 T CA -0.224 61.733 62.100 -0.238 0.000 0.987 113 T CB -1.053 67.650 68.868 -0.275 0.000 1.073 113 T HN 0.277 8.460 8.240 -0.096 0.000 0.547 114 R N 3.732 124.021 120.500 -0.351 0.000 2.561 114 R HA 0.184 nan 4.340 nan 0.000 0.266 114 R C -1.893 174.185 176.300 -0.371 0.000 1.091 114 R CA -1.290 54.568 56.100 -0.404 0.000 0.927 114 R CB 3.902 33.856 30.300 -0.576 0.000 1.240 114 R HN -0.251 7.725 8.270 -0.332 0.095 0.449 115 F N 2.249 122.104 119.950 -0.158 0.000 2.424 115 F HA 0.022 nan 4.527 nan 0.000 0.356 115 F C 0.025 175.761 175.800 -0.107 0.000 1.110 115 F CA -0.721 57.227 58.000 -0.087 0.000 1.161 115 F CB 0.484 39.451 39.000 -0.056 0.000 1.115 115 F HN 0.046 8.284 8.300 -0.103 0.000 0.507 116 V N 1.916 121.925 119.914 0.159 0.000 2.715 116 V HA 0.064 nan 4.120 nan 0.000 0.299 116 V C -0.997 175.205 176.094 0.179 0.000 1.054 116 V CA -0.557 61.861 62.300 0.197 0.000 1.077 116 V CB 0.372 32.375 31.823 0.299 0.000 0.972 116 V HN 0.247 8.563 8.190 0.211 0.000 0.484 117 D N 3.233 123.752 120.400 0.198 0.000 2.531 117 D HA 0.071 nan 4.640 nan 0.000 0.244 117 D C -0.055 176.328 176.300 0.138 0.000 1.090 117 D CA -1.954 52.124 54.000 0.131 0.000 0.989 117 D CB 2.174 43.032 40.800 0.097 0.000 1.433 117 D HN -0.586 7.957 8.370 0.289 0.000 0.492 118 E N -0.277 119.973 120.200 0.084 0.000 2.086 118 E HA -0.445 nan 4.350 nan 0.000 0.200 118 E C 1.767 178.403 176.600 0.060 0.000 1.012 118 E CA 4.142 60.578 56.400 0.060 0.000 0.812 118 E CB 0.072 29.792 29.700 0.034 0.000 0.743 118 E HN 0.261 8.660 8.360 0.065 0.000 0.453 119 E N -1.533 118.711 120.200 0.073 0.000 2.085 119 E HA -0.304 nan 4.350 nan 0.000 0.194 119 E C 2.013 178.666 176.600 0.089 0.000 0.994 119 E CA 2.834 59.275 56.400 0.069 0.000 0.801 119 E CB -0.519 29.227 29.700 0.077 0.000 0.743 119 E HN 0.099 8.503 8.360 0.074 0.000 0.453 120 Y N 0.242 120.558 120.300 0.028 0.000 2.200 120 Y HA -0.319 nan 4.550 nan 0.000 0.290 120 Y C 1.749 177.668 175.900 0.030 0.000 1.137 120 Y CA 2.983 61.103 58.100 0.032 0.000 1.163 120 Y CB 0.098 38.585 38.460 0.045 0.000 0.988 120 Y HN -0.157 8.434 8.280 0.240 -0.167 0.518 121 L N -1.776 119.434 121.223 -0.022 0.000 2.042 121 L HA -0.559 nan 4.340 nan 0.000 0.210 121 L C 2.273 179.065 176.870 -0.130 0.000 1.076 121 L CA 3.605 58.395 54.840 -0.083 0.000 0.749 121 L CB -0.597 41.469 42.059 0.010 0.000 0.893 121 L HN 0.125 8.346 8.230 0.112 0.077 0.432 122 R N -2.112 118.335 120.500 -0.088 0.000 2.081 122 R HA -0.410 nan 4.340 nan 0.000 0.235 122 R C 2.430 178.662 176.300 -0.112 0.000 1.131 122 R CA 3.769 59.822 56.100 -0.079 0.000 0.960 122 R CB -0.415 29.859 30.300 -0.044 0.000 0.856 122 R HN -0.256 7.973 8.270 -0.048 0.011 0.436 123 S N -0.251 115.356 115.700 -0.154 0.000 2.383 123 S HA -0.211 nan 4.470 nan 0.000 0.227 123 S C 2.450 176.923 174.600 -0.211 0.000 1.026 123 S CA 3.194 61.297 58.200 -0.161 0.000 0.981 123 S CB -0.038 63.080 63.200 -0.138 0.000 0.818 123 S HN -0.542 7.594 8.310 -0.158 0.079 0.472 124 I N -0.697 119.665 120.570 -0.347 0.000 2.353 124 I HA -0.285 nan 4.170 nan 0.000 0.248 124 I C 1.313 177.355 176.117 -0.125 0.000 1.119 124 I CA 2.889 64.031 61.300 -0.264 0.000 1.417 124 I CB -0.211 37.594 38.000 -0.326 0.000 1.078 124 I HN -0.092 7.835 8.210 -0.472 0.000 0.421 125 K N 0.989 121.324 120.400 -0.109 0.000 2.032 125 K HA -0.370 nan 4.320 nan 0.000 0.209 125 K C 2.209 178.796 176.600 -0.022 0.000 1.048 125 K CA 2.877 59.133 56.287 -0.051 0.000 0.927 125 K CB -0.602 31.866 32.500 -0.054 0.000 0.712 125 K HN -0.129 8.035 8.250 -0.143 0.000 0.441 126 K N -2.812 117.558 120.400 -0.049 0.000 2.097 126 K HA -0.380 nan 4.320 nan 0.000 0.206 126 K C 2.014 178.621 176.600 0.010 0.000 1.049 126 K CA 3.040 59.304 56.287 -0.037 0.000 0.933 126 K CB -0.018 32.448 32.500 -0.056 0.000 0.717 126 K HN -0.366 7.838 8.250 -0.075 0.000 0.442 127 Q N -2.526 117.267 119.800 -0.012 0.000 2.187 127 Q HA -0.160 nan 4.340 nan 0.000 0.199 127 Q C 1.841 177.852 176.000 0.019 0.000 0.957 127 Q CA 2.037 57.842 55.803 0.003 0.000 0.857 127 Q CB 0.135 28.862 28.738 -0.018 0.000 0.929 127 Q HN -0.480 7.666 8.270 -0.047 0.095 0.453 128 L N -2.386 118.846 121.223 0.015 0.000 2.240 128 L HA -0.053 nan 4.340 nan 0.000 0.211 128 L C 0.364 177.251 176.870 0.028 0.000 1.106 128 L CA 0.225 55.072 54.840 0.012 0.000 0.793 128 L CB -0.214 41.844 42.059 -0.001 0.000 0.927 128 L HN 0.064 8.108 8.230 0.001 0.187 0.446 129 H N 4.072 123.122 119.070 -0.033 0.000 3.115 129 H HA -0.089 nan 4.556 nan 0.000 0.324 129 H C -1.508 173.806 175.328 -0.024 0.000 1.007 129 H CA 0.943 56.973 56.048 -0.029 0.000 1.385 129 H CB 0.633 30.377 29.762 -0.029 0.000 1.351 129 H HN -0.613 7.725 8.280 0.144 0.029 0.592 130 P HA 0.285 nan 4.420 nan 0.000 0.241 130 P C -1.681 175.476 177.300 -0.238 0.000 1.783 130 P CA -0.419 62.279 63.100 -0.671 0.000 1.052 130 P CB 0.031 31.289 31.700 -0.736 0.000 1.594 131 S N 2.647 118.268 115.700 -0.133 0.000 2.601 131 S HA -0.030 nan 4.470 nan 0.000 0.271 131 S C -0.756 173.810 174.600 -0.057 0.000 1.305 131 S CA 0.603 58.751 58.200 -0.086 0.000 1.022 131 S CB 1.033 64.192 63.200 -0.068 0.000 0.940 131 S HN -0.136 7.937 8.310 -0.106 0.173 0.525 132 K N 1.474 121.840 120.400 -0.058 0.000 2.322 132 K HA 0.070 nan 4.320 nan 0.000 0.283 132 K C -1.074 175.497 176.600 -0.048 0.000 1.042 132 K CA -0.407 55.854 56.287 -0.044 0.000 0.958 132 K CB 0.562 33.032 32.500 -0.050 0.000 0.984 132 K HN 0.290 8.499 8.250 -0.069 0.000 0.473 133 I N 3.219 123.773 120.570 -0.026 0.000 2.404 133 I HA 0.595 nan 4.170 nan 0.000 0.293 133 I C -1.278 174.840 176.117 0.000 0.000 0.992 133 I CA -1.041 60.246 61.300 -0.022 0.000 1.149 133 I CB 2.455 40.451 38.000 -0.006 0.000 1.315 133 I HN 0.423 8.627 8.210 -0.011 0.000 0.446 134 I N 5.887 126.446 120.570 -0.018 0.000 2.362 134 I HA 0.458 nan 4.170 nan 0.000 0.289 134 I C -1.927 174.233 176.117 0.073 0.000 0.994 134 I CA -1.204 60.115 61.300 0.031 0.000 1.158 134 I CB 1.851 39.813 38.000 -0.064 0.000 1.315 134 I HN 0.608 8.785 8.210 -0.055 0.000 0.451 135 L N 8.186 129.486 121.223 0.130 0.000 2.309 135 L HA 0.837 nan 4.340 nan 0.000 0.282 135 L C -2.250 174.655 176.870 0.059 0.000 1.036 135 L CA -1.053 53.843 54.840 0.092 0.000 0.806 135 L CB 2.824 44.931 42.059 0.080 0.000 1.220 135 L HN 0.295 8.633 8.230 0.180 0.000 0.429 136 I N 6.172 126.724 120.570 -0.030 0.000 2.466 136 I HA 0.491 nan 4.170 nan 0.000 0.289 136 I C -2.377 173.584 176.117 -0.260 0.000 1.026 136 I CA -1.173 59.990 61.300 -0.228 0.000 1.078 136 I CB 2.963 40.691 38.000 -0.453 0.000 1.249 136 I HN 0.880 9.093 8.210 0.004 0.000 0.429 137 S N 6.007 121.605 115.700 -0.169 0.000 2.532 137 S HA 0.468 nan 4.470 nan 0.000 0.299 137 S C -2.050 172.562 174.600 0.020 0.000 1.105 137 S CA -1.070 57.115 58.200 -0.025 0.000 1.018 137 S CB 2.275 65.505 63.200 0.050 0.000 1.021 137 S HN 0.637 8.850 8.310 -0.162 0.000 0.483 138 D N 7.713 128.196 120.400 0.139 0.000 2.760 138 D HA 0.255 nan 4.640 nan 0.000 0.314 138 D C -0.511 175.904 176.300 0.192 0.000 1.464 138 D CA -1.212 52.903 54.000 0.191 0.000 0.797 138 D CB 1.269 42.257 40.800 0.313 0.000 1.149 138 D HN 0.247 8.739 8.370 0.203 0.000 0.455 139 V N -3.528 116.482 119.914 0.159 0.000 2.843 139 V HA 0.263 nan 4.120 nan 0.000 0.305 139 V C -0.897 175.242 176.094 0.075 0.000 1.065 139 V CA 0.161 62.538 62.300 0.130 0.000 1.116 139 V CB 0.245 32.136 31.823 0.113 0.000 0.968 139 V HN -0.781 7.496 8.190 0.146 0.000 0.487 140 R N 2.953 123.486 120.500 0.055 0.000 2.584 140 R HA 0.395 nan 4.340 nan 0.000 0.276 140 R C -0.853 175.433 176.300 -0.022 0.000 1.046 140 R CA -0.499 55.605 56.100 0.007 0.000 0.906 140 R CB 1.582 31.900 30.300 0.029 0.000 1.215 140 R HN 0.194 8.512 8.270 0.080 0.000 0.449 149 S N -0.208 115.439 115.700 -0.087 0.000 2.600 149 S HA 0.108 nan 4.470 nan 0.000 0.265 149 S C 1.526 176.035 174.600 -0.151 0.000 1.325 149 S CA -0.650 57.495 58.200 -0.091 0.000 1.002 149 S CB 1.419 64.569 63.200 -0.083 0.000 0.921 149 S HN 0.014 8.552 8.310 -0.088 -0.280 0.554 150 T N 2.863 117.326 114.554 -0.152 0.000 2.833 150 T HA -0.185 nan 4.350 nan 0.000 0.269 150 T C 1.862 176.411 174.700 -0.250 0.000 1.054 150 T CA 5.054 67.024 62.100 -0.217 0.000 1.135 150 T CB -0.482 68.264 68.868 -0.202 0.000 0.869 150 T HN 0.678 8.852 8.240 -0.109 0.000 0.466 151 A N 1.310 124.012 122.820 -0.195 0.000 1.902 151 A HA -0.203 nan 4.320 nan 0.000 0.217 151 A C 2.316 179.772 177.584 -0.212 0.000 1.181 151 A CA 3.099 55.022 52.037 -0.189 0.000 0.623 151 A CB -0.793 18.126 19.000 -0.134 0.000 0.818 151 A HN 0.283 8.327 8.150 -0.155 0.013 0.443 152 D N -0.641 119.638 120.400 -0.202 0.000 2.097 152 D HA -0.239 nan 4.640 nan 0.000 0.195 152 D C 2.408 178.517 176.300 -0.319 0.000 0.989 152 D CA 3.164 57.034 54.000 -0.216 0.000 0.827 152 D CB -0.307 40.388 40.800 -0.176 0.000 0.966 152 D HN -0.552 7.624 8.370 -0.177 0.088 0.456 153 L N -0.569 120.420 121.223 -0.389 0.000 1.970 153 L HA -0.418 nan 4.340 nan 0.000 0.212 153 L C 2.104 178.476 176.870 -0.830 0.000 1.071 153 L CA 3.208 57.656 54.840 -0.653 0.000 0.751 153 L CB -0.284 41.481 42.059 -0.489 0.000 0.889 153 L HN -0.328 7.713 8.230 -0.316 0.000 0.432 154 L N -2.742 118.140 121.223 -0.569 0.000 2.043 154 L HA -0.535 nan 4.340 nan 0.000 0.212 154 L C 2.645 179.309 176.870 -0.342 0.000 1.075 154 L CA 3.430 57.960 54.840 -0.516 0.000 0.752 154 L CB -0.843 40.945 42.059 -0.452 0.000 0.891 154 L HN 0.323 8.268 8.230 -0.474 0.000 0.432 155 S N -1.598 113.924 115.700 -0.296 0.000 2.382 155 S HA -0.326 nan 4.470 nan 0.000 0.228 155 S C 2.479 176.967 174.600 -0.187 0.000 1.027 155 S CA 3.534 61.615 58.200 -0.197 0.000 0.991 155 S CB -0.580 62.516 63.200 -0.173 0.000 0.823 155 S HN -0.324 7.795 8.310 -0.311 0.004 0.469 156 N N 2.030 120.549 118.700 -0.302 0.000 2.142 156 N HA -0.264 nan 4.740 nan 0.000 0.186 156 N C 2.588 178.024 175.510 -0.123 0.000 1.023 156 N CA 3.353 56.254 53.050 -0.249 0.000 0.852 156 N CB 0.166 38.422 38.487 -0.386 0.000 0.998 156 N HN -0.381 7.646 8.380 -0.414 0.105 0.424 157 Y N -0.777 119.491 120.300 -0.054 0.000 2.224 157 Y HA -0.318 nan 4.550 nan 0.000 0.289 157 Y C 1.851 177.750 175.900 -0.003 0.000 1.146 157 Y CA 1.484 59.579 58.100 -0.009 0.000 1.182 157 Y CB -1.020 37.420 38.460 -0.033 0.000 0.983 157 Y HN 0.380 8.285 8.280 -0.625 0.000 0.524 158 A N -0.553 122.317 122.820 0.083 0.000 1.930 158 A HA -0.261 nan 4.320 nan 0.000 0.217 158 A C 1.798 179.411 177.584 0.049 0.000 1.175 158 A CA 2.918 54.989 52.037 0.057 0.000 0.627 158 A CB -0.926 18.074 19.000 0.001 0.000 0.815 158 A HN 0.277 8.422 8.150 -0.008 0.000 0.443 159 L N -1.598 119.644 121.223 0.031 0.000 2.056 159 L HA -0.344 nan 4.340 nan 0.000 0.207 159 L C 1.893 178.802 176.870 0.065 0.000 1.078 159 L CA 2.808 57.671 54.840 0.038 0.000 0.749 159 L CB -0.294 41.780 42.059 0.025 0.000 0.901 159 L HN -0.393 7.758 8.230 0.004 0.082 0.433 160 Q N -1.690 118.166 119.800 0.094 0.000 2.124 160 Q HA -0.436 nan 4.340 nan 0.000 0.202 160 Q C 2.607 178.655 176.000 0.080 0.000 0.977 160 Q CA 3.422 59.288 55.803 0.105 0.000 0.850 160 Q CB -0.437 28.397 28.738 0.160 0.000 0.901 160 Q HN 0.080 8.338 8.270 0.107 0.077 0.429 161 N N 0.020 118.769 118.700 0.082 0.000 2.188 161 N HA -0.206 nan 4.740 nan 0.000 0.184 161 N C 2.339 177.863 175.510 0.024 0.000 1.018 161 N CA 2.881 55.964 53.050 0.055 0.000 0.858 161 N CB -0.250 38.279 38.487 0.070 0.000 0.989 161 N HN -0.383 8.060 8.380 0.105 0.000 0.426 162 V N 1.322 121.254 119.914 0.029 0.000 2.759 162 V HA -0.352 nan 4.120 nan 0.000 0.256 162 V C 1.762 177.862 176.094 0.010 0.000 1.080 162 V CA 4.020 66.328 62.300 0.014 0.000 1.101 162 V CB -0.758 31.078 31.823 0.021 0.000 0.698 162 V HN -0.279 7.937 8.190 0.042 0.000 0.477 163 M N -0.190 119.424 119.600 0.024 0.000 2.099 163 M HA -0.443 nan 4.480 nan 0.000 0.262 163 M C 1.985 178.279 176.300 -0.011 0.000 1.067 163 M CA 4.810 60.124 55.300 0.024 0.000 1.124 163 M CB -0.013 32.617 32.600 0.050 0.000 1.353 163 M HN -0.536 7.636 8.290 0.037 0.141 0.410 164 I N -0.638 119.914 120.570 -0.031 0.000 2.202 164 I HA -0.573 nan 4.170 nan 0.000 0.242 164 I C 2.066 178.099 176.117 -0.140 0.000 1.091 164 I CA 4.225 65.458 61.300 -0.112 0.000 1.368 164 I CB -0.421 37.498 38.000 -0.136 0.000 1.058 164 I HN -0.504 7.703 8.210 -0.006 0.000 0.410 165 S N 0.866 116.511 115.700 -0.092 0.000 2.356 165 S HA -0.307 nan 4.470 nan 0.000 0.223 165 S C 1.625 176.182 174.600 -0.070 0.000 1.032 165 S CA 3.220 61.369 58.200 -0.085 0.000 1.005 165 S CB -0.067 63.100 63.200 -0.054 0.000 0.867 165 S HN -0.095 8.178 8.310 -0.061 0.000 0.449 166 I N 0.712 121.252 120.570 -0.050 0.000 2.233 166 I HA -0.240 nan 4.170 nan 0.000 0.243 166 I C 1.012 177.101 176.117 -0.048 0.000 1.093 166 I CA 2.294 63.568 61.300 -0.043 0.000 1.380 166 I CB 0.318 38.300 38.000 -0.029 0.000 1.067 166 I HN -0.329 7.858 8.210 -0.039 0.000 0.413 167 L N -3.503 117.693 121.223 -0.045 0.000 2.217 167 L HA -0.112 nan 4.340 nan 0.000 0.211 167 L C -0.067 176.772 176.870 -0.051 0.000 1.107 167 L CA -0.014 54.803 54.840 -0.038 0.000 0.783 167 L CB -0.012 42.035 42.059 -0.020 0.000 0.919 167 L HN 0.026 8.126 8.230 -0.040 0.105 0.442 168 N N -1.312 117.333 118.700 -0.092 0.000 2.696 168 N HA -0.303 nan 4.740 nan 0.000 0.256 168 N C -2.193 173.264 175.510 -0.089 0.000 1.031 168 N CA -0.371 52.605 53.050 -0.123 0.000 0.730 168 N CB -0.338 38.103 38.487 -0.076 0.000 0.894 168 N HN -0.104 8.084 8.380 -0.102 0.130 0.544 169 P HA 0.211 nan 4.420 nan 0.000 0.276 169 P C -0.606 176.779 177.300 0.141 0.000 1.244 169 P CA -0.616 62.501 63.100 0.028 0.000 0.801 169 P CB 0.671 32.420 31.700 0.083 0.000 1.006 170 V N -7.615 112.391 119.914 0.154 0.000 3.041 170 V HA 0.092 nan 4.120 nan 0.000 0.260 170 V C -0.918 175.337 176.094 0.268 0.000 1.105 170 V CA 0.466 62.877 62.300 0.185 0.000 1.125 170 V CB 0.032 31.894 31.823 0.065 0.000 0.730 170 V HN 0.668 8.914 8.190 0.092 0.000 0.479 171 A N -3.325 119.679 122.820 0.307 0.000 2.601 171 A HA 0.687 nan 4.320 nan 0.000 0.291 171 A C -2.837 174.988 177.584 0.402 0.000 1.075 171 A CA 0.136 52.334 52.037 0.268 0.000 0.671 171 A CB 2.342 21.438 19.000 0.159 0.000 1.277 171 A HN -0.759 7.516 8.150 0.272 0.038 0.417 172 S N -1.788 114.109 115.700 0.330 0.000 2.550 172 S HA 0.685 nan 4.470 nan 0.000 0.270 172 S C -1.974 172.439 174.600 -0.312 0.000 1.145 172 S CA -0.446 57.846 58.200 0.154 0.000 0.852 172 S CB 3.410 66.747 63.200 0.229 0.000 1.119 172 S HN 0.782 9.109 8.310 0.196 0.100 0.465 173 S N 1.824 117.237 115.700 -0.478 0.000 2.605 173 S HA 0.730 nan 4.470 nan 0.000 0.308 173 S C -2.167 172.280 174.600 -0.254 0.000 1.113 173 S CA -1.138 56.673 58.200 -0.647 0.000 1.049 173 S CB 0.974 63.590 63.200 -0.974 0.000 1.001 173 S HN 0.638 8.796 8.310 -0.253 0.000 0.480 174 L N 5.020 126.164 121.223 -0.133 0.000 2.362 174 L HA 0.489 nan 4.340 nan 0.000 0.271 174 L C -1.597 175.318 176.870 0.075 0.000 1.002 174 L CA -1.571 53.266 54.840 -0.006 0.000 0.818 174 L CB 3.964 46.042 42.059 0.032 0.000 1.298 174 L HN 0.943 8.971 8.230 -0.150 0.112 0.420 175 K N 2.744 123.223 120.400 0.132 0.000 2.416 175 K HA -0.063 nan 4.320 nan 0.000 0.283 175 K C -1.161 175.637 176.600 0.329 0.000 1.037 175 K CA 1.045 57.444 56.287 0.186 0.000 0.995 175 K CB 0.724 33.332 32.500 0.180 0.000 0.938 175 K HN 0.225 8.673 8.250 0.121 -0.126 0.475 176 W N 8.395 129.706 121.300 0.018 0.000 2.802 176 W HA 0.063 nan 4.660 nan 0.000 0.331 176 W C -3.064 173.390 176.519 -0.108 0.000 1.021 176 W CA -1.191 56.100 57.345 -0.090 0.000 1.259 176 W CB 2.841 32.195 29.460 -0.177 0.000 1.323 176 W HN 0.538 8.837 8.180 0.197 0.000 0.432 177 R N 8.460 128.579 120.500 -0.635 0.000 2.502 177 R HA 0.400 nan 4.340 nan 0.000 0.298 177 R C -2.034 173.635 176.300 -1.052 0.000 1.018 177 R CA -1.254 54.342 56.100 -0.841 0.000 0.899 177 R CB 3.360 33.461 30.300 -0.331 0.000 1.181 177 R HN 0.363 8.582 8.270 -0.085 0.000 0.444 178 C N 7.281 125.685 119.300 -1.493 0.000 2.653 178 C HA 0.130 nan 4.460 nan 0.000 0.421 178 C C -1.506 173.233 174.990 -0.420 0.000 1.334 178 C CA -2.138 56.333 59.018 -0.912 0.000 1.885 178 C CB -0.729 26.470 27.740 -0.902 0.000 2.645 178 C HN 0.708 7.921 8.230 -1.696 0.000 0.601 179 P HA -0.033 nan 4.420 nan 0.000 0.267 179 P C -1.858 175.389 177.300 -0.087 0.000 1.200 179 P CA 0.285 63.261 63.100 -0.206 0.000 0.772 179 P CB 0.567 32.256 31.700 -0.019 0.000 0.855 180 F N 0.861 120.871 119.950 0.101 0.000 2.484 180 F HA 0.053 nan 4.527 nan 0.000 0.360 180 F C 0.960 176.867 175.800 0.179 0.000 1.101 180 F CA -2.278 55.763 58.000 0.067 0.000 1.251 180 F CB -1.096 37.881 39.000 -0.040 0.000 1.132 180 F HN 0.265 8.214 8.300 -0.586 0.000 0.570 181 P HA -0.334 nan 4.420 nan 0.000 0.217 181 P C 0.403 177.849 177.300 0.244 0.000 1.158 181 P CA 2.841 66.085 63.100 0.240 0.000 0.887 181 P CB -0.241 31.522 31.700 0.105 0.000 0.792 182 D N -4.732 115.783 120.400 0.192 0.000 2.392 182 D HA -0.159 nan 4.640 nan 0.000 0.228 182 D C 0.580 176.985 176.300 0.176 0.000 1.003 182 D CA 1.125 55.217 54.000 0.155 0.000 0.917 182 D CB -1.339 39.523 40.800 0.102 0.000 0.890 182 D HN 0.431 8.908 8.370 0.179 0.000 0.532 183 Q N -2.809 117.129 119.800 0.231 0.000 2.129 183 Q HA 0.095 nan 4.340 nan 0.000 0.274 183 Q C -1.347 174.766 176.000 0.187 0.000 0.854 183 Q CA -1.089 54.819 55.803 0.175 0.000 1.123 183 Q CB 1.092 29.920 28.738 0.150 0.000 1.226 183 Q HN -0.213 8.017 8.270 0.290 0.214 0.454 184 W N 0.743 122.083 121.300 0.067 0.000 2.170 184 W HA -0.100 nan 4.660 nan 0.000 0.336 184 W C -1.241 175.316 176.519 0.063 0.000 1.283 184 W CA 1.590 58.980 57.345 0.076 0.000 1.224 184 W CB 0.718 30.227 29.460 0.082 0.000 1.132 184 W HN -0.457 7.909 8.180 0.412 0.061 0.571 185 I N 1.407 121.619 120.570 -0.597 0.000 3.650 185 I HA -0.033 nan 4.170 nan 0.000 0.261 185 I C -1.284 174.653 176.117 -0.300 0.000 1.154 185 I CA 0.434 61.541 61.300 -0.322 0.000 1.418 185 I CB 1.368 39.194 38.000 -0.291 0.000 1.539 185 I HN -0.058 7.345 8.210 -1.345 0.000 0.449 186 K N -2.432 117.645 120.400 -0.538 0.000 2.597 186 K HA 0.157 nan 4.320 nan 0.000 0.282 186 K C -2.370 174.267 176.600 0.061 0.000 0.975 186 K CA -1.159 55.080 56.287 -0.081 0.000 0.867 186 K CB 2.767 35.269 32.500 0.003 0.000 1.465 186 K HN -0.707 7.003 8.250 -0.900 0.000 0.417 187 D N 0.239 120.893 120.400 0.423 0.000 2.382 187 D HA 0.360 nan 4.640 nan 0.000 0.240 187 D C -1.551 174.975 176.300 0.377 0.000 1.146 187 D CA 0.543 54.831 54.000 0.481 0.000 0.897 187 D CB 0.448 41.420 40.800 0.288 0.000 1.197 187 D HN 0.172 8.775 8.370 0.388 0.000 0.432 188 F N -3.191 116.823 119.950 0.107 0.000 2.745 188 F HA 0.294 nan 4.527 nan 0.000 0.316 188 F C -2.644 173.135 175.800 -0.034 0.000 1.155 188 F CA -1.644 56.417 58.000 0.101 0.000 0.937 188 F CB 2.083 41.136 39.000 0.089 0.000 1.361 188 F HN -0.132 8.075 8.300 -0.155 0.000 0.472 189 Y N -1.930 118.466 120.300 0.160 0.000 2.446 189 Y HA 0.771 nan 4.550 nan 0.000 0.338 189 Y C -1.034 174.875 175.900 0.015 0.000 1.055 189 Y CA -0.720 57.374 58.100 -0.010 0.000 1.101 189 Y CB 2.593 41.065 38.460 0.019 0.000 1.221 189 Y HN -0.126 8.533 8.280 0.632 0.000 0.460 190 I N -3.600 116.944 120.570 -0.043 0.000 2.865 190 I HA 0.661 nan 4.170 nan 0.000 0.302 190 I C -2.693 173.363 176.117 -0.101 0.000 1.140 190 I CA -3.976 57.226 61.300 -0.164 0.000 1.021 190 I CB 2.816 40.438 38.000 -0.629 0.000 1.233 190 I HN 0.513 8.655 8.210 -0.113 0.000 0.427 191 P HA -0.064 nan 4.420 nan 0.000 0.268 191 P C -1.805 175.484 177.300 -0.018 0.000 1.208 191 P CA -0.095 63.021 63.100 0.028 0.000 0.777 191 P CB 0.421 32.169 31.700 0.081 0.000 0.875 192 H N 3.960 123.019 119.070 -0.018 0.000 2.683 192 H HA -0.090 nan 4.556 nan 0.000 0.339 192 H C -1.052 174.239 175.328 -0.063 0.000 1.081 192 H CA 0.857 56.879 56.048 -0.045 0.000 1.432 192 H CB 1.210 30.965 29.762 -0.012 0.000 1.462 192 H HN 0.052 8.460 8.280 0.212 0.000 0.557 193 G N 2.628 111.040 108.800 -0.647 0.000 2.495 193 G HA2 0.073 nan 3.960 nan 0.000 0.294 193 G HA3 0.073 nan 3.960 nan 0.000 0.294 193 G C -2.903 171.785 174.900 -0.354 0.000 1.397 193 G CA -0.175 44.660 45.100 -0.441 0.000 0.790 193 G HN -0.146 7.729 8.290 -0.691 0.000 0.486 194 N N 0.332 118.924 118.700 -0.181 0.000 2.472 194 N HA 0.205 nan 4.740 nan 0.000 0.277 194 N C -0.069 175.535 175.510 0.155 0.000 1.081 194 N CA 0.107 53.108 53.050 -0.080 0.000 0.973 194 N CB 1.076 39.465 38.487 -0.164 0.000 1.105 194 N HN 0.128 8.420 8.380 -0.146 0.000 0.470 195 K N 4.771 125.339 120.400 0.281 0.000 2.142 195 K HA 0.046 nan 4.320 nan 0.000 0.250 195 K C -0.995 175.907 176.600 0.504 0.000 1.148 195 K CA -1.650 54.870 56.287 0.387 0.000 1.040 195 K CB -1.400 31.374 32.500 0.455 0.000 1.569 195 K HN 0.583 8.973 8.250 0.233 0.000 0.361 196 M N 4.808 124.667 119.600 0.431 0.000 2.246 196 M HA -0.021 nan 4.480 nan 0.000 0.350 196 M C -1.772 174.619 176.300 0.152 0.000 1.406 196 M CA 0.564 56.021 55.300 0.263 0.000 1.089 196 M CB 0.854 33.624 32.600 0.283 0.000 1.782 196 M HN 0.215 8.719 8.290 0.358 0.000 0.457 197 L N 6.367 127.634 121.223 0.072 0.000 2.417 197 L HA 0.091 nan 4.340 nan 0.000 0.268 197 L C -1.283 175.645 176.870 0.097 0.000 1.158 197 L CA -0.290 54.641 54.840 0.151 0.000 0.819 197 L CB 0.235 42.410 42.059 0.194 0.000 1.112 197 L HN 0.136 8.320 8.230 -0.077 0.000 0.458 198 Q N 2.186 122.033 119.800 0.079 0.000 2.394 198 Q HA 0.400 nan 4.340 nan 0.000 0.259 198 Q C -2.221 173.706 176.000 -0.122 0.000 1.021 198 Q CA -3.250 52.519 55.803 -0.057 0.000 0.805 198 Q CB 0.829 29.566 28.738 -0.001 0.000 1.226 198 Q HN 0.391 8.732 8.270 0.118 0.000 0.476 199 P HA -0.049 nan 4.420 nan 0.000 0.271 199 P C -0.867 176.349 177.300 -0.140 0.000 1.218 199 P CA 0.040 62.903 63.100 -0.396 0.000 0.780 199 P CB 0.303 31.601 31.700 -0.670 0.000 0.901 200 F N -3.757 116.139 119.950 -0.091 0.000 2.884 200 F HA -0.523 nan 4.527 nan 0.000 0.294 200 F C -0.562 175.208 175.800 -0.051 0.000 0.723 200 F CA 0.975 58.928 58.000 -0.077 0.000 1.294 200 F CB -2.191 36.740 39.000 -0.115 0.000 1.551 200 F HN -0.318 7.885 8.300 -0.536 -0.224 0.363 201 A N -1.130 121.721 122.820 0.052 0.000 2.346 201 A HA 0.185 nan 4.320 nan 0.000 0.252 201 A C -2.157 175.449 177.584 0.038 0.000 1.089 201 A CA -1.092 50.973 52.037 0.047 0.000 0.797 201 A CB -0.001 19.019 19.000 0.033 0.000 1.047 201 A HN -0.645 7.453 8.150 -0.006 0.049 0.494 202 P HA -0.123 nan 4.420 nan 0.000 0.268 202 P C 0.747 178.040 177.300 -0.011 0.000 1.208 202 P CA 0.491 63.616 63.100 0.042 0.000 0.777 202 P CB 0.040 31.783 31.700 0.072 0.000 0.875 203 S N 3.770 119.436 115.700 -0.056 0.000 2.393 203 S HA -0.471 nan 4.470 nan 0.000 0.234 203 S C 0.360 174.622 174.600 -0.564 0.000 1.064 203 S CA 3.384 61.419 58.200 -0.276 0.000 1.088 203 S CB 0.173 63.237 63.200 -0.227 0.000 0.939 203 S HN 0.379 8.571 8.310 -0.005 0.115 0.448 204 Y N -4.570 115.783 120.300 0.088 0.000 2.720 204 Y HA 0.109 nan 4.550 nan 0.000 0.268 204 Y C -1.461 174.524 175.900 0.142 0.000 1.142 204 Y CA -1.492 56.689 58.100 0.136 0.000 1.193 204 Y CB -0.349 38.230 38.460 0.197 0.000 1.176 204 Y HN -0.462 7.860 8.280 0.095 0.015 0.542 205 S N 1.532 117.322 115.700 0.150 0.000 2.549 205 S HA -0.046 nan 4.470 nan 0.000 0.279 205 S C 0.149 174.830 174.600 0.134 0.000 1.321 205 S CA -0.401 57.883 58.200 0.140 0.000 1.054 205 S CB 1.148 64.401 63.200 0.088 0.000 0.899 205 S HN -0.569 7.617 8.310 0.063 0.162 0.497 206 A N 6.142 129.043 122.820 0.135 0.000 2.423 206 A HA 0.217 nan 4.320 nan 0.000 0.246 206 A C -0.848 176.698 177.584 -0.062 0.000 1.278 206 A CA -0.565 51.525 52.037 0.087 0.000 0.903 206 A CB 0.098 19.187 19.000 0.148 0.000 0.997 206 A HN 0.120 8.366 8.150 0.159 0.000 0.510 207 E N 0.359 120.535 120.200 -0.040 0.000 2.331 207 E HA 0.081 nan 4.350 nan 0.000 0.272 207 E C -0.874 175.702 176.600 -0.041 0.000 1.036 207 E CA 0.089 56.434 56.400 -0.093 0.000 0.864 207 E CB 1.176 30.862 29.700 -0.024 0.000 1.035 207 E HN -0.804 7.488 8.360 0.023 0.082 0.408 208 M N 0.912 120.477 119.600 -0.058 0.000 2.744 208 M HA 0.694 nan 4.480 nan 0.000 0.283 208 M C -1.838 174.529 176.300 0.113 0.000 1.275 208 M CA -1.370 53.965 55.300 0.058 0.000 0.796 208 M CB 4.189 36.859 32.600 0.118 0.000 1.739 208 M HN 0.656 8.749 8.290 -0.149 0.107 0.454 209 R N -2.921 117.667 120.500 0.148 0.000 2.480 209 R HA 0.759 nan 4.340 nan 0.000 0.306 209 R C -1.908 174.473 176.300 0.135 0.000 0.958 209 R CA -2.388 53.785 56.100 0.122 0.000 0.861 209 R CB 1.468 31.808 30.300 0.065 0.000 1.171 209 R HN 0.263 8.629 8.270 0.160 0.000 0.445 210 L N 4.747 126.024 121.223 0.089 0.000 2.260 210 L HA 0.464 nan 4.340 nan 0.000 0.289 210 L C -1.865 174.947 176.870 -0.096 0.000 1.057 210 L CA -1.150 53.695 54.840 0.007 0.000 0.811 210 L CB 1.185 43.196 42.059 -0.080 0.000 1.184 210 L HN 0.833 9.015 8.230 0.097 0.106 0.429 211 L N 7.705 128.880 121.223 -0.080 0.000 2.287 211 L HA 0.528 nan 4.340 nan 0.000 0.287 211 L C -1.356 175.439 176.870 -0.125 0.000 1.022 211 L CA -0.924 53.825 54.840 -0.151 0.000 0.814 211 L CB 0.636 42.705 42.059 0.016 0.000 1.217 211 L HN 0.816 9.044 8.230 -0.003 0.000 0.420 212 S N 3.737 119.339 115.700 -0.162 0.000 2.548 212 S HA 0.464 nan 4.470 nan 0.000 0.286 212 S C -1.779 172.575 174.600 -0.411 0.000 1.098 212 S CA -0.734 57.272 58.200 -0.323 0.000 0.930 212 S CB 3.149 66.069 63.200 -0.466 0.000 1.070 212 S HN 0.819 8.927 8.310 -0.163 0.105 0.480 213 I N 2.502 122.791 120.570 -0.468 0.000 2.436 213 I HA 0.307 nan 4.170 nan 0.000 0.289 213 I C -1.189 174.674 176.117 -0.423 0.000 1.010 213 I CA -0.702 60.400 61.300 -0.330 0.000 1.098 213 I CB 2.484 40.415 38.000 -0.115 0.000 1.266 213 I HN 0.277 8.248 8.210 -0.398 0.000 0.434 214 Y N 7.847 128.177 120.300 0.050 0.000 2.404 214 Y HA 0.111 nan 4.550 nan 0.000 0.344 214 Y C -0.236 175.684 175.900 0.033 0.000 0.970 214 Y CA -0.715 57.410 58.100 0.041 0.000 1.180 214 Y CB -0.251 38.228 38.460 0.033 0.000 1.138 214 Y HN 0.384 8.552 8.280 0.019 0.123 0.510 215 T N 6.206 120.850 114.554 0.151 0.000 2.902 215 T HA 0.266 nan 4.350 nan 0.000 0.283 215 T C -0.019 174.736 174.700 0.091 0.000 1.009 215 T CA -0.632 61.525 62.100 0.095 0.000 1.051 215 T CB 1.337 70.242 68.868 0.062 0.000 0.999 215 T HN 0.381 8.709 8.240 0.146 0.000 0.474 216 G N 3.370 112.208 108.800 0.062 0.000 2.601 216 G HA2 -0.306 nan 3.960 nan 0.000 0.261 216 G HA3 -0.306 nan 3.960 nan 0.000 0.261 216 G C -1.179 173.749 174.900 0.047 0.000 1.289 216 G CA 0.270 45.397 45.100 0.046 0.000 0.920 216 G HN -0.023 8.300 8.290 0.054 0.000 0.571 217 E N -0.091 120.127 120.200 0.030 0.000 2.558 217 E HA 0.096 nan 4.350 nan 0.000 0.205 217 E C -0.380 176.227 176.600 0.013 0.000 1.006 217 E CA -0.578 55.831 56.400 0.016 0.000 0.961 217 E CB 0.324 30.027 29.700 0.004 0.000 1.044 217 E HN 0.323 8.698 8.360 0.025 0.000 0.465 218 N N 2.176 120.897 118.700 0.034 0.000 2.434 218 N HA 0.136 nan 4.740 nan 0.000 0.266 218 N C -1.341 174.204 175.510 0.059 0.000 1.223 218 N CA 0.046 53.117 53.050 0.035 0.000 0.972 218 N CB 1.074 39.584 38.487 0.038 0.000 1.207 218 N HN -0.421 7.910 8.380 0.049 0.078 0.525 219 M N 0.763 120.393 119.600 0.050 0.000 2.164 219 M HA 0.064 nan 4.480 nan 0.000 0.260 219 M C -1.951 174.393 176.300 0.074 0.000 0.974 219 M CA 0.338 55.683 55.300 0.075 0.000 1.020 219 M CB 1.156 33.755 32.600 -0.002 0.000 1.903 219 M HN -0.120 8.187 8.290 0.029 0.000 0.469 220 R N 7.593 128.164 120.500 0.117 0.000 2.368 220 R HA 0.255 nan 4.340 nan 0.000 0.302 220 R C -1.696 174.680 176.300 0.127 0.000 1.002 220 R CA -0.554 55.595 56.100 0.081 0.000 0.929 220 R CB 0.993 31.305 30.300 0.021 0.000 1.073 220 R HN 0.171 8.549 8.270 0.181 0.000 0.464 221 L N 2.568 123.860 121.223 0.115 0.000 2.279 221 L HA 0.714 nan 4.340 nan 0.000 0.262 221 L C -0.805 176.190 176.870 0.209 0.000 1.019 221 L CA -1.269 53.673 54.840 0.170 0.000 0.823 221 L CB 3.379 45.554 42.059 0.194 0.000 1.358 221 L HN 0.182 8.464 8.230 0.086 0.000 0.432 222 T N -3.605 111.051 114.554 0.170 0.000 2.952 222 T HA 0.315 nan 4.350 nan 0.000 0.305 222 T C -2.284 172.238 174.700 -0.296 0.000 1.064 222 T CA -1.455 60.655 62.100 0.017 0.000 1.008 222 T CB 2.637 71.496 68.868 -0.016 0.000 1.078 222 T HN 0.752 9.067 8.240 0.126 0.000 0.459 223 R N 2.604 122.750 120.500 -0.590 0.000 2.539 223 R HA 0.595 nan 4.340 nan 0.000 0.275 223 R C -1.203 174.767 176.300 -0.550 0.000 1.077 223 R CA -0.183 55.291 56.100 -1.044 0.000 1.097 223 R CB 1.205 30.956 30.300 -0.915 0.000 1.018 223 R HN 0.244 8.318 8.270 -0.327 0.000 0.483 224 V N 6.837 126.413 119.914 -0.564 0.000 2.444 224 V HA 0.490 nan 4.120 nan 0.000 0.294 224 V C -1.862 174.192 176.094 -0.067 0.000 1.022 224 V CA -2.203 59.894 62.300 -0.338 0.000 0.850 224 V CB 2.977 34.520 31.823 -0.466 0.000 0.992 224 V HN 0.814 8.499 8.190 -0.682 0.096 0.426 225 T N 4.104 118.590 114.554 -0.113 0.000 2.949 225 T HA 0.615 nan 4.350 nan 0.000 0.287 225 T C -0.061 174.097 174.700 -0.903 0.000 1.034 225 T CA -1.810 60.139 62.100 -0.251 0.000 1.018 225 T CB 3.056 71.801 68.868 -0.205 0.000 1.135 225 T HN 0.224 8.699 8.240 -0.144 -0.322 0.532 226 K N 1.353 120.892 120.400 -1.434 0.000 2.103 226 K HA -0.440 nan 4.320 nan 0.000 0.207 226 K C 1.669 177.879 176.600 -0.649 0.000 1.048 226 K CA 4.216 59.560 56.287 -1.571 0.000 0.930 226 K CB -0.045 31.721 32.500 -1.222 0.000 0.716 226 K HN 0.530 8.156 8.250 -1.040 0.000 0.444 227 S N -2.845 112.604 115.700 -0.419 0.000 2.399 227 S HA -0.266 nan 4.470 nan 0.000 0.231 227 S C 2.073 176.564 174.600 -0.183 0.000 1.022 227 S CA 3.178 61.241 58.200 -0.229 0.000 0.983 227 S CB -0.770 62.332 63.200 -0.165 0.000 0.803 227 S HN -0.252 7.803 8.310 -0.413 0.008 0.480 228 D N 2.988 123.265 120.400 -0.206 0.000 2.117 228 D HA -0.223 nan 4.640 nan 0.000 0.198 228 D C 1.805 178.106 176.300 0.002 0.000 0.982 228 D CA 2.932 56.854 54.000 -0.129 0.000 0.828 228 D CB -0.400 40.353 40.800 -0.078 0.000 0.967 228 D HN -0.709 7.385 8.370 -0.275 0.110 0.464 229 A N -0.138 122.675 122.820 -0.013 0.000 1.933 229 A HA -0.219 nan 4.320 nan 0.000 0.218 229 A C 2.433 180.092 177.584 0.126 0.000 1.175 229 A CA 3.167 55.298 52.037 0.157 0.000 0.628 229 A CB -0.551 18.493 19.000 0.073 0.000 0.814 229 A HN 0.150 8.068 8.150 -0.261 0.076 0.444 230 V N -0.644 119.272 119.914 0.003 0.000 2.427 230 V HA -0.478 nan 4.120 nan 0.000 0.248 230 V C 1.663 177.796 176.094 0.065 0.000 1.051 230 V CA 4.594 66.910 62.300 0.027 0.000 1.048 230 V CB -0.913 30.894 31.823 -0.027 0.000 0.666 230 V HN 0.176 8.197 8.190 -0.097 0.110 0.456 231 N N 0.012 118.731 118.700 0.031 0.000 2.106 231 N HA -0.349 nan 4.740 nan 0.000 0.188 231 N C 1.737 177.351 175.510 0.174 0.000 1.029 231 N CA 3.818 56.896 53.050 0.047 0.000 0.848 231 N CB 0.384 38.849 38.487 -0.037 0.000 1.007 231 N HN -0.524 7.764 8.380 -0.017 0.081 0.423 232 Y N -0.720 119.676 120.300 0.161 0.000 2.165 232 Y HA -0.419 nan 4.550 nan 0.000 0.286 232 Y C 2.275 178.285 175.900 0.183 0.000 1.155 232 Y CA 3.720 61.893 58.100 0.122 0.000 1.164 232 Y CB -0.317 38.077 38.460 -0.110 0.000 0.978 232 Y HN 0.322 8.659 8.280 0.096 0.000 0.513 233 E N -1.159 119.227 120.200 0.310 0.000 2.077 233 E HA -0.410 nan 4.350 nan 0.000 0.193 233 E C 2.591 179.350 176.600 0.264 0.000 0.989 233 E CA 3.240 59.770 56.400 0.216 0.000 0.800 233 E CB -0.285 29.478 29.700 0.105 0.000 0.746 233 E HN -0.462 8.072 8.360 0.289 0.000 0.452 234 K N -1.786 118.759 120.400 0.241 0.000 2.116 234 K HA -0.208 nan 4.320 nan 0.000 0.203 234 K C 2.918 179.686 176.600 0.279 0.000 1.052 234 K CA 2.934 59.373 56.287 0.254 0.000 0.952 234 K CB 0.070 32.662 32.500 0.153 0.000 0.729 234 K HN -0.637 7.735 8.250 0.204 0.000 0.446 235 K N 0.132 120.683 120.400 0.251 0.000 2.025 235 K HA -0.204 nan 4.320 nan 0.000 0.207 235 K C 2.463 179.222 176.600 0.265 0.000 1.049 235 K CA 2.468 58.870 56.287 0.191 0.000 0.933 235 K CB -0.232 32.319 32.500 0.085 0.000 0.714 235 K HN -0.031 8.378 8.250 0.266 0.000 0.438 236 M N -1.733 118.086 119.600 0.365 0.000 2.229 236 M HA -0.209 nan 4.480 nan 0.000 0.264 236 M C 2.267 178.736 176.300 0.282 0.000 1.063 236 M CA 1.562 57.046 55.300 0.308 0.000 1.114 236 M CB -1.141 31.649 32.600 0.317 0.000 1.387 236 M HN -0.003 8.548 8.290 0.435 0.000 0.420 237 Y N 0.858 121.302 120.300 0.239 0.000 2.242 237 Y HA -0.402 nan 4.550 nan 0.000 0.291 237 Y C 1.637 177.660 175.900 0.204 0.000 1.137 237 Y CA 4.008 62.270 58.100 0.270 0.000 1.181 237 Y CB -0.214 38.436 38.460 0.317 0.000 0.989 237 Y HN -0.327 8.133 8.280 0.462 0.097 0.527 238 Y N 0.359 120.681 120.300 0.036 0.000 2.200 238 Y HA -0.400 nan 4.550 nan 0.000 0.290 238 Y C 1.468 177.301 175.900 -0.111 0.000 1.137 238 Y CA 3.067 61.126 58.100 -0.068 0.000 1.163 238 Y CB -0.133 38.313 38.460 -0.023 0.000 0.988 238 Y HN -0.366 8.136 8.280 0.369 0.000 0.518 239 L N -0.569 120.471 121.223 -0.304 0.000 2.017 239 L HA -0.481 nan 4.340 nan 0.000 0.208 239 L C 1.474 178.129 176.870 -0.358 0.000 1.073 239 L CA 3.382 58.005 54.840 -0.362 0.000 0.745 239 L CB -0.291 41.701 42.059 -0.113 0.000 0.894 239 L HN -0.048 8.176 8.230 -0.009 0.000 0.432 240 N N -0.762 117.792 118.700 -0.244 0.000 2.080 240 N HA -0.274 nan 4.740 nan 0.000 0.189 240 N C 1.841 177.130 175.510 -0.368 0.000 1.036 240 N CA 2.831 55.704 53.050 -0.294 0.000 0.846 240 N CB -0.507 37.862 38.487 -0.197 0.000 1.015 240 N HN -0.234 8.064 8.380 -0.137 0.000 0.423 241 K N -0.817 119.371 120.400 -0.354 0.000 2.062 241 K HA -0.140 nan 4.320 nan 0.000 0.205 241 K C 1.263 177.705 176.600 -0.262 0.000 1.051 241 K CA 1.931 58.052 56.287 -0.277 0.000 0.941 241 K CB 0.411 32.584 32.500 -0.544 0.000 0.719 241 K HN -0.241 7.749 8.250 -0.433 0.000 0.440 242 I N -4.083 116.265 120.570 -0.370 0.000 2.962 242 I HA -0.019 nan 4.170 nan 0.000 0.246 242 I C 2.196 178.080 176.117 -0.389 0.000 1.091 242 I CA 0.626 61.722 61.300 -0.339 0.000 1.469 242 I CB 0.538 38.327 38.000 -0.352 0.000 1.324 242 I HN -0.551 7.371 8.210 -0.480 0.000 0.461 243 V N 1.539 121.106 119.914 -0.579 0.000 2.237 243 V HA -0.411 nan 4.120 nan 0.000 0.245 243 V C 2.293 177.959 176.094 -0.713 0.000 1.046 243 V CA 4.639 66.554 62.300 -0.642 0.000 1.007 243 V CB -0.864 30.531 31.823 -0.713 0.000 0.638 243 V HN -0.636 7.107 8.190 -0.745 0.000 0.445 244 R N -3.675 116.462 120.500 -0.604 0.000 2.293 244 R HA -0.299 nan 4.340 nan 0.000 0.219 244 R C 1.300 177.512 176.300 -0.148 0.000 1.091 244 R CA 2.709 58.609 56.100 -0.333 0.000 1.004 244 R CB -0.477 29.699 30.300 -0.207 0.000 0.865 244 R HN 0.231 8.178 8.270 -0.539 0.000 0.469 245 N N -3.632 114.957 118.700 -0.185 0.000 2.270 245 N HA 0.036 nan 4.740 nan 0.000 0.198 245 N C -0.320 175.154 175.510 -0.060 0.000 1.117 245 N CA -0.052 52.940 53.050 -0.097 0.000 0.845 245 N CB 0.289 38.715 38.487 -0.102 0.000 0.980 245 N HN -0.754 7.294 8.380 -0.265 0.174 0.486 246 K N -0.248 120.111 120.400 -0.069 0.000 2.118 246 K HA 0.245 nan 4.320 nan 0.000 0.267 246 K C -1.404 175.216 176.600 0.033 0.000 0.991 246 K CA -1.771 54.495 56.287 -0.034 0.000 0.916 246 K CB 1.293 33.748 32.500 -0.074 0.000 1.041 246 K HN -0.360 7.648 8.250 -0.115 0.173 0.455 247 V N 2.065 121.985 119.914 0.009 0.000 2.328 247 V HA 0.395 nan 4.120 nan 0.000 0.278 247 V C -0.700 175.380 176.094 -0.023 0.000 1.021 247 V CA -0.795 61.519 62.300 0.023 0.000 0.838 247 V CB 0.780 32.613 31.823 0.016 0.000 0.999 247 V HN 0.456 8.638 8.190 -0.013 0.000 0.447 248 V N 8.489 128.370 119.914 -0.055 0.000 2.229 248 V HA 0.174 nan 4.120 nan 0.000 0.245 248 V C 1.221 177.268 176.094 -0.078 0.000 1.243 248 V CA 0.036 62.220 62.300 -0.194 0.000 1.176 248 V CB -2.393 29.064 31.823 -0.610 0.000 1.323 248 V HN 0.614 8.803 8.190 -0.002 0.000 0.499 249 V N 2.596 122.473 119.914 -0.060 0.000 3.026 249 V HA -0.236 nan 4.120 nan 0.000 0.265 249 V C 0.269 176.346 176.094 -0.029 0.000 1.121 249 V CA 2.626 64.907 62.300 -0.032 0.000 1.142 249 V CB -0.999 30.806 31.823 -0.030 0.000 0.730 249 V HN -0.025 8.097 8.190 -0.071 0.026 0.503 250 N N -2.275 116.396 118.700 -0.048 0.000 2.279 250 N HA -0.041 nan 4.740 nan 0.000 0.226 250 N C -1.018 174.511 175.510 0.032 0.000 1.126 250 N CA -0.166 52.870 53.050 -0.023 0.000 0.846 250 N CB 0.867 39.333 38.487 -0.035 0.000 1.050 250 N HN -0.436 7.823 8.380 -0.093 0.066 0.502 251 F N 3.093 122.939 119.950 -0.174 0.000 2.303 251 F HA 0.120 nan 4.527 nan 0.000 0.368 251 F C -1.921 173.855 175.800 -0.040 0.000 1.105 251 F CA -2.394 55.514 58.000 -0.153 0.000 1.153 251 F CB 0.891 39.732 39.000 -0.264 0.000 1.362 251 F HN -0.290 7.883 8.300 0.076 0.173 0.511 252 D N 9.439 129.735 120.400 -0.174 0.000 2.359 252 D HA -0.087 nan 4.640 nan 0.000 0.250 252 D C -1.894 174.166 176.300 -0.400 0.000 1.264 252 D CA 0.008 53.872 54.000 -0.226 0.000 0.911 252 D CB -0.287 40.454 40.800 -0.099 0.000 1.056 252 D HN 0.152 8.506 8.370 -0.026 0.000 0.499 253 Y N 4.459 124.349 120.300 -0.684 0.000 2.573 253 Y HA 0.176 nan 4.550 nan 0.000 0.328 253 Y C -2.087 173.563 175.900 -0.417 0.000 1.170 253 Y CA -1.575 56.110 58.100 -0.692 0.000 1.078 253 Y CB 1.887 39.440 38.460 -1.512 0.000 1.341 253 Y HN -0.723 7.320 8.280 -0.396 0.000 0.459 254 P HA -0.200 nan 4.420 nan 0.000 0.218 254 P C -1.891 175.231 177.300 -0.296 0.000 1.146 254 P CA 1.378 64.204 63.100 -0.456 0.000 0.820 254 P CB 0.427 31.801 31.700 -0.544 0.000 0.778 255 N N -3.285 115.300 118.700 -0.191 0.000 2.410 255 N HA 0.096 nan 4.740 nan 0.000 0.287 255 N C -1.038 174.566 175.510 0.157 0.000 1.044 255 N CA -0.614 52.342 53.050 -0.157 0.000 0.881 255 N CB 1.245 39.323 38.487 -0.682 0.000 1.405 255 N HN -0.219 8.068 8.380 -0.102 0.031 0.490 256 Q N 1.622 121.502 119.800 0.132 0.000 2.319 256 Q HA -0.000 nan 4.340 nan 0.000 0.202 256 Q C -0.890 175.290 176.000 0.301 0.000 0.896 256 Q CA 0.228 56.224 55.803 0.320 0.000 0.942 256 Q CB 0.772 29.594 28.738 0.139 0.000 1.083 256 Q HN 0.436 8.719 8.270 0.022 0.000 0.510 257 E N 0.102 120.460 120.200 0.264 0.000 2.415 257 E HA -0.166 nan 4.350 nan 0.000 0.262 257 E C 0.411 177.183 176.600 0.286 0.000 1.038 257 E CA 1.217 57.777 56.400 0.266 0.000 0.921 257 E CB 0.141 30.034 29.700 0.322 0.000 0.950 257 E HN -0.336 8.092 8.360 0.189 0.046 0.438 258 Y N 5.810 126.158 120.300 0.079 0.000 2.069 258 Y HA -0.559 nan 4.550 nan 0.000 0.278 258 Y C 1.349 177.269 175.900 0.034 0.000 1.175 258 Y CA 4.806 62.925 58.100 0.031 0.000 1.134 258 Y CB 0.188 38.617 38.460 -0.052 0.000 0.965 258 Y HN 0.171 8.608 8.280 0.262 0.000 0.498 259 D N -2.259 118.096 120.400 -0.074 0.000 2.228 259 D HA -0.368 nan 4.640 nan 0.000 0.203 259 D C 2.457 178.487 176.300 -0.450 0.000 0.988 259 D CA 3.438 57.145 54.000 -0.488 0.000 0.864 259 D CB -0.753 39.406 40.800 -1.068 0.000 0.928 259 D HN 0.397 8.821 8.370 0.090 0.000 0.469 260 Y N -0.765 119.531 120.300 -0.006 0.000 2.365 260 Y HA -0.257 nan 4.550 nan 0.000 0.293 260 Y C 1.962 177.913 175.900 0.084 0.000 1.119 260 Y CA 3.247 61.491 58.100 0.239 0.000 1.203 260 Y CB 0.082 38.818 38.460 0.459 0.000 1.026 260 Y HN -0.475 7.985 8.280 0.350 0.030 0.549 261 F N 1.305 121.087 119.950 -0.280 0.000 2.146 261 F HA -0.410 nan 4.527 nan 0.000 0.298 261 F C 1.285 176.813 175.800 -0.453 0.000 1.096 261 F CA 2.623 60.048 58.000 -0.958 0.000 1.275 261 F CB -0.043 38.319 39.000 -1.063 0.000 1.008 261 F HN -0.321 7.960 8.300 0.112 0.087 0.480 262 H N 0.012 118.675 119.070 -0.680 0.000 2.326 262 H HA -0.424 nan 4.556 nan 0.000 0.301 262 H C 2.275 177.405 175.328 -0.330 0.000 1.081 262 H CA 2.808 58.458 56.048 -0.664 0.000 1.334 262 H CB 0.684 30.038 29.762 -0.680 0.000 1.385 262 H HN 0.416 8.311 8.280 -0.464 0.107 0.504 263 M N -0.632 118.884 119.600 -0.140 0.000 2.108 263 M HA -0.542 nan 4.480 nan 0.000 0.261 263 M C 1.241 177.539 176.300 -0.004 0.000 1.066 263 M CA 3.803 59.070 55.300 -0.056 0.000 1.107 263 M CB -0.116 32.565 32.600 0.134 0.000 1.356 263 M HN 0.003 8.074 8.290 -0.161 0.122 0.406 264 Y N 0.184 120.418 120.300 -0.110 0.000 2.081 264 Y HA -0.574 nan 4.550 nan 0.000 0.280 264 Y C 1.605 177.404 175.900 -0.168 0.000 1.163 264 Y CA 4.423 62.437 58.100 -0.143 0.000 1.135 264 Y CB -0.106 38.270 38.460 -0.140 0.000 0.970 264 Y HN -0.079 8.163 8.280 0.119 0.110 0.498 265 F N -4.067 115.816 119.950 -0.111 0.000 2.216 265 F HA -0.404 nan 4.527 nan 0.000 0.300 265 F C 1.842 177.551 175.800 -0.151 0.000 1.085 265 F CA 4.118 62.026 58.000 -0.153 0.000 1.326 265 F CB -0.392 38.448 39.000 -0.267 0.000 1.027 265 F HN -0.642 7.859 8.300 0.336 0.000 0.497 266 M N -2.136 117.428 119.600 -0.061 0.000 2.123 266 M HA -0.309 nan 4.480 nan 0.000 0.263 266 M C 2.282 178.600 176.300 0.031 0.000 1.069 266 M CA 3.544 58.783 55.300 -0.100 0.000 1.133 266 M CB 0.010 32.449 32.600 -0.268 0.000 1.356 266 M HN -0.890 7.256 8.290 -0.058 0.109 0.415 267 L N -2.072 119.102 121.223 -0.081 0.000 2.191 267 L HA -0.323 nan 4.340 nan 0.000 0.212 267 L C 2.395 179.145 176.870 -0.200 0.000 1.103 267 L CA 2.548 57.320 54.840 -0.114 0.000 0.769 267 L CB -0.878 41.100 42.059 -0.135 0.000 0.908 267 L HN 0.387 8.552 8.230 -0.108 0.000 0.438 268 R N -1.934 118.380 120.500 -0.309 0.000 2.237 268 R HA -0.194 nan 4.340 nan 0.000 0.219 268 R C 1.653 177.824 176.300 -0.214 0.000 1.080 268 R CA 2.675 58.567 56.100 -0.346 0.000 0.995 268 R CB -0.748 29.267 30.300 -0.475 0.000 0.875 268 R HN -0.023 8.020 8.270 -0.335 0.026 0.462 269 T N -4.740 109.747 114.554 -0.112 0.000 3.067 269 T HA 0.089 nan 4.350 nan 0.000 0.257 269 T C 0.119 174.636 174.700 -0.305 0.000 1.105 269 T CA 0.304 62.329 62.100 -0.123 0.000 1.104 269 T CB 0.107 69.025 68.868 0.084 0.000 0.925 269 T HN -0.458 7.611 8.240 -0.037 0.149 0.498 270 V N 3.564 123.368 119.914 -0.183 0.000 2.637 270 V HA 0.047 nan 4.120 nan 0.000 0.296 270 V C -0.387 175.577 176.094 -0.218 0.000 1.046 270 V CA 0.886 63.114 62.300 -0.120 0.000 1.066 270 V CB 0.083 31.886 31.823 -0.033 0.000 0.968 270 V HN -0.611 7.333 8.190 -0.125 0.172 0.483 271 Y N 3.918 124.321 120.300 0.171 0.000 2.320 271 Y HA 0.183 nan 4.550 nan 0.000 0.324 271 Y C -0.224 175.770 175.900 0.156 0.000 1.190 271 Y CA 0.284 58.468 58.100 0.140 0.000 1.215 271 Y CB 0.993 39.532 38.460 0.130 0.000 1.221 271 Y HN -0.017 8.514 8.280 0.418 0.000 0.486 272 C N 0.880 120.321 119.300 0.234 0.000 3.080 272 C HA 0.285 nan 4.460 nan 0.000 0.307 272 C C 0.153 175.201 174.990 0.096 0.000 1.311 272 C CA -2.227 56.892 59.018 0.168 0.000 1.533 272 C CB 1.853 29.718 27.740 0.209 0.000 1.970 272 C HN 0.229 8.592 8.230 0.221 0.000 0.467 273 N N 0.718 119.436 118.700 0.030 0.000 2.251 273 N HA -0.033 nan 4.740 nan 0.000 0.181 273 N C 0.016 175.491 175.510 -0.058 0.000 1.019 273 N CA 1.261 54.302 53.050 -0.014 0.000 0.862 273 N CB 0.311 38.778 38.487 -0.032 0.000 0.992 273 N HN 0.095 8.492 8.380 0.029 0.000 0.429 274 K N 1.942 122.269 120.400 -0.122 0.000 2.350 274 K HA -0.026 nan 4.320 nan 0.000 0.279 274 K C -0.699 175.669 176.600 -0.386 0.000 1.027 274 K CA 0.176 56.258 56.287 -0.343 0.000 0.969 274 K CB 0.717 32.850 32.500 -0.612 0.000 0.954 274 K HN -0.510 7.691 8.250 -0.080 0.000 0.474 275 T N 4.266 118.574 114.554 -0.411 0.000 2.837 275 T HA 0.204 nan 4.350 nan 0.000 0.285 275 T C -0.626 173.796 174.700 -0.464 0.000 0.984 275 T CA 0.111 62.061 62.100 -0.249 0.000 1.049 275 T CB 0.680 69.474 68.868 -0.123 0.000 0.947 275 T HN 0.102 8.118 8.240 -0.374 0.000 0.472 276 F N 4.547 124.456 119.950 -0.068 0.000 2.538 276 F HA 0.488 nan 4.527 nan 0.000 0.325 276 F C -0.648 175.140 175.800 -0.020 0.000 1.066 276 F CA -3.191 54.779 58.000 -0.050 0.000 0.946 276 F CB 0.580 39.546 39.000 -0.056 0.000 1.199 276 F HN -0.047 8.389 8.300 0.228 0.000 0.473 277 P HA 0.045 nan 4.420 nan 0.000 0.231 277 P C -1.200 176.163 177.300 0.106 0.000 1.168 277 P CA 0.975 64.135 63.100 0.101 0.000 0.779 277 P CB 0.596 32.343 31.700 0.079 0.000 0.844 278 T N -6.898 107.738 114.554 0.137 0.000 2.868 278 T HA 0.083 nan 4.350 nan 0.000 0.306 278 T C 0.504 175.247 174.700 0.072 0.000 1.224 278 T CA -1.162 60.998 62.100 0.101 0.000 1.012 278 T CB 3.230 72.159 68.868 0.101 0.000 1.221 278 T HN -0.599 7.719 8.240 0.196 0.040 0.499 279 T N 2.821 117.400 114.554 0.041 0.000 2.788 279 T HA -0.221 nan 4.350 nan 0.000 0.268 279 T C 1.597 176.275 174.700 -0.036 0.000 1.044 279 T CA 3.667 65.739 62.100 -0.046 0.000 1.139 279 T CB -0.116 68.727 68.868 -0.042 0.000 0.867 279 T HN 0.318 8.594 8.240 0.060 0.000 0.454 280 K N 1.355 121.845 120.400 0.151 0.000 2.103 280 K HA -0.332 nan 4.320 nan 0.000 0.207 280 K C 1.670 178.364 176.600 0.156 0.000 1.048 280 K CA 2.960 59.420 56.287 0.289 0.000 0.930 280 K CB -0.393 32.273 32.500 0.277 0.000 0.716 280 K HN 0.125 8.467 8.250 0.166 0.008 0.444 281 A N -1.579 121.289 122.820 0.080 0.000 1.898 281 A HA -0.216 nan 4.320 nan 0.000 0.216 281 A C 1.851 179.276 177.584 -0.264 0.000 1.181 281 A CA 3.049 55.133 52.037 0.080 0.000 0.620 281 A CB -0.787 18.361 19.000 0.247 0.000 0.819 281 A HN -0.347 7.737 8.150 0.091 0.120 0.442 282 K N -0.894 119.135 120.400 -0.618 0.000 2.002 282 K HA -0.293 nan 4.320 nan 0.000 0.209 282 K C 2.114 178.399 176.600 -0.524 0.000 1.048 282 K CA 3.301 58.844 56.287 -1.241 0.000 0.930 282 K CB 0.155 32.169 32.500 -0.810 0.000 0.714 282 K HN -0.582 7.395 8.250 -0.326 0.077 0.438 283 V N -0.020 119.719 119.914 -0.291 0.000 2.287 283 V HA -0.401 nan 4.120 nan 0.000 0.248 283 V C 2.150 178.295 176.094 0.085 0.000 1.053 283 V CA 4.506 66.718 62.300 -0.147 0.000 1.027 283 V CB -0.753 30.874 31.823 -0.326 0.000 0.646 283 V HN 0.201 8.208 8.190 -0.305 0.000 0.447 284 L N -1.581 119.750 121.223 0.179 0.000 2.079 284 L HA -0.445 nan 4.340 nan 0.000 0.210 284 L C 1.951 178.901 176.870 0.133 0.000 1.081 284 L CA 3.204 58.153 54.840 0.182 0.000 0.752 284 L CB -0.310 41.810 42.059 0.102 0.000 0.896 284 L HN -0.239 8.086 8.230 0.158 0.000 0.433 285 F N 0.084 120.013 119.950 -0.036 0.000 2.113 285 F HA -0.375 nan 4.527 nan 0.000 0.297 285 F C 1.488 177.318 175.800 0.050 0.000 1.103 285 F CA 3.904 61.923 58.000 0.033 0.000 1.248 285 F CB 0.140 39.178 39.000 0.064 0.000 0.999 285 F HN -0.589 7.709 8.300 0.147 0.090 0.475 286 L N -1.341 120.074 121.223 0.320 0.000 2.046 286 L HA -0.545 nan 4.340 nan 0.000 0.208 286 L C 1.974 178.904 176.870 0.101 0.000 1.077 286 L CA 3.543 58.525 54.840 0.237 0.000 0.747 286 L CB -0.444 41.695 42.059 0.133 0.000 0.896 286 L HN 0.376 8.744 8.230 0.230 0.000 0.432 287 Q N -1.241 118.605 119.800 0.076 0.000 2.050 287 Q HA -0.450 nan 4.340 nan 0.000 0.202 287 Q C 2.138 178.133 176.000 -0.008 0.000 0.980 287 Q CA 3.753 59.582 55.803 0.044 0.000 0.840 287 Q CB -0.174 28.594 28.738 0.051 0.000 0.898 287 Q HN 0.304 8.524 8.270 0.095 0.107 0.424 288 Q N -0.091 119.680 119.800 -0.048 0.000 2.030 288 Q HA -0.333 nan 4.340 nan 0.000 0.204 288 Q C 2.272 178.262 176.000 -0.016 0.000 0.986 288 Q CA 3.203 58.966 55.803 -0.066 0.000 0.843 288 Q CB -0.601 28.070 28.738 -0.112 0.000 0.904 288 Q HN 0.077 8.226 8.270 -0.024 0.107 0.420 289 S N 0.280 115.932 115.700 -0.079 0.000 2.370 289 S HA -0.278 nan 4.470 nan 0.000 0.226 289 S C 2.473 177.150 174.600 0.129 0.000 1.033 289 S CA 3.720 61.927 58.200 0.011 0.000 1.011 289 S CB -0.210 62.992 63.200 0.004 0.000 0.852 289 S HN -0.233 7.985 8.310 -0.154 0.000 0.457 290 I N 1.994 122.572 120.570 0.013 0.000 2.202 290 I HA -0.473 nan 4.170 nan 0.000 0.242 290 I C 1.807 177.966 176.117 0.070 0.000 1.091 290 I CA 4.165 65.347 61.300 -0.197 0.000 1.368 290 I CB 0.018 37.894 38.000 -0.207 0.000 1.058 290 I HN 0.145 8.301 8.210 0.035 0.075 0.410 291 F N -1.119 118.786 119.950 -0.076 0.000 2.171 291 F HA -0.366 nan 4.527 nan 0.000 0.300 291 F C 2.166 177.964 175.800 -0.002 0.000 1.090 291 F CA 3.692 61.673 58.000 -0.033 0.000 1.293 291 F CB -0.700 38.298 39.000 -0.004 0.000 1.013 291 F HN 0.178 8.759 8.300 0.469 0.000 0.486 292 R N -0.117 120.498 120.500 0.193 0.000 2.081 292 R HA -0.346 nan 4.340 nan 0.000 0.235 292 R C 2.893 179.232 176.300 0.066 0.000 1.131 292 R CA 3.418 59.583 56.100 0.107 0.000 0.960 292 R CB -0.364 29.987 30.300 0.085 0.000 0.856 292 R HN 0.052 8.442 8.270 0.200 0.000 0.436 293 F N 1.527 121.483 119.950 0.009 0.000 2.095 293 F HA -0.273 nan 4.527 nan 0.000 0.298 293 F C 0.776 176.519 175.800 -0.095 0.000 1.104 293 F CA 3.149 61.152 58.000 0.005 0.000 1.232 293 F CB 0.401 39.470 39.000 0.114 0.000 0.987 293 F HN -0.334 8.132 8.300 0.276 0.000 0.475 294 L N -3.475 117.730 121.223 -0.030 0.000 2.599 294 L HA -0.116 nan 4.340 nan 0.000 0.230 294 L C -0.028 176.633 176.870 -0.348 0.000 1.141 294 L CA 0.088 54.790 54.840 -0.231 0.000 0.877 294 L CB 0.139 42.105 42.059 -0.156 0.000 1.009 294 L HN -0.255 8.027 8.230 0.087 0.000 0.447 295 N N -2.033 116.561 118.700 -0.178 0.000 2.780 295 N HA -0.386 nan 4.740 nan 0.000 0.248 295 N C -0.545 175.039 175.510 0.124 0.000 1.102 295 N CA 0.685 53.705 53.050 -0.050 0.000 0.697 295 N CB -0.576 37.837 38.487 -0.124 0.000 1.028 295 N HN -0.595 7.521 8.380 -0.124 0.190 0.554 296 I N 0.676 121.285 120.570 0.065 0.000 2.321 296 I HA 0.176 nan 4.170 nan 0.000 0.291 296 I C -2.200 174.037 176.117 0.199 0.000 0.998 296 I CA -2.417 58.918 61.300 0.058 0.000 1.227 296 I CB 0.390 38.181 38.000 -0.348 0.000 1.368 296 I HN -0.073 8.145 8.210 0.013 0.000 0.466 297 P HA 0.000 nan 4.420 nan 0.000 0.216 297 P CA 0.000 63.202 63.100 0.169 0.000 0.800 297 P CB 0.000 31.770 31.700 0.116 0.000 0.726