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 2gz6_1_B DATA FIRST_RESID 4 DATA SEQUENCE NLQALAQLYK NALLNDVLPF WENHSLDSEG GYFTCLDRQG KVYDTDKFIW DATA SEQUENCE LQNRQVWTFS MLCNQLEKRE NWLKIARNGA KFLAQHGRDD EGNWYFALTR DATA SEQUENCE GGEPLVQPYN IFSDCFAAMA FSQYALASGE EWAKDVAMQA YNNVLRRKDX DATA SEQUENCE XXXXXXXXXX XXRPMKALAV PMILANLTLE MEWLLPQETL ENVLAATVQE DATA SEQUENCE VMGDFLDQEQ GLMYENVAPD GSHIDCFEGR LINPGHGIEA MWFIMDIARR DATA SEQUENCE KNDSKTINQA VDVVLNILNF AWDNEYGGLY YFMDAAGHPP QQLEWDQKLW DATA SEQUENCE WVHLESLVAL AMGYRLTGRD ACWAWYQKMH DYSWQHFADP EYGEWFGYLN DATA SEQUENCE RRGEVLLNLK GGKWKGCFHV PRAMYLCWQQ FEALS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.500 175.510 -0.017 0.000 1.280 4 N CA 0.000 53.061 53.050 0.018 0.000 0.885 4 N CB 0.000 38.489 38.487 0.004 0.000 1.341 5 L N -0.865 120.343 121.223 -0.025 0.000 2.043 5 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 5 L C 2.542 179.431 176.870 0.032 0.000 1.075 5 L CA 1.833 56.674 54.840 0.000 0.000 0.752 5 L CB -0.456 41.624 42.059 0.034 0.000 0.891 5 L HN 0.710 nan 8.230 nan 0.000 0.432 6 Q N -0.266 119.552 119.800 0.029 0.000 2.079 6 Q HA -0.188 4.151 4.340 -0.000 0.000 0.200 6 Q C 2.332 178.351 176.000 0.031 0.000 0.974 6 Q CA 1.524 57.358 55.803 0.050 0.000 0.840 6 Q CB -0.058 28.699 28.738 0.031 0.000 0.898 6 Q HN 0.527 nan 8.270 nan 0.000 0.430 7 A N 0.449 123.262 122.820 -0.013 0.000 1.933 7 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 7 A C 1.973 179.515 177.584 -0.070 0.000 1.175 7 A CA 1.034 53.045 52.037 -0.043 0.000 0.628 7 A CB -0.564 18.400 19.000 -0.061 0.000 0.814 7 A HN 0.426 nan 8.150 nan 0.000 0.444 8 L N -0.998 120.156 121.223 -0.114 0.000 2.072 8 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 8 L C 3.118 180.059 176.870 0.118 0.000 1.079 8 L CA 0.948 55.681 54.840 -0.177 0.000 0.752 8 L CB -0.501 41.115 42.059 -0.739 0.000 0.906 8 L HN 0.423 nan 8.230 nan 0.000 0.436 9 A N -0.322 122.621 122.820 0.204 0.000 1.883 9 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 9 A C 2.191 179.901 177.584 0.211 0.000 1.186 9 A CA 2.145 54.426 52.037 0.406 0.000 0.624 9 A CB -0.604 18.633 19.000 0.395 0.000 0.822 9 A HN 0.430 nan 8.150 nan 0.000 0.444 10 Q N -0.340 119.507 119.800 0.077 0.000 2.084 10 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 10 Q C 1.926 177.885 176.000 -0.069 0.000 0.978 10 Q CA 1.559 57.342 55.803 -0.033 0.000 0.844 10 Q CB -0.414 28.309 28.738 -0.025 0.000 0.898 10 Q HN 0.619 nan 8.270 nan 0.000 0.426 11 L N -0.617 120.568 121.223 -0.063 0.000 1.989 11 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 11 L C 1.841 178.666 176.870 -0.076 0.000 1.071 11 L CA 1.905 56.652 54.840 -0.156 0.000 0.749 11 L CB -0.417 41.432 42.059 -0.349 0.000 0.890 11 L HN 0.404 nan 8.230 nan 0.000 0.431 12 Y N 0.178 120.550 120.300 0.120 0.000 2.200 12 Y HA -0.293 4.257 4.550 -0.000 0.000 0.290 12 Y C 2.758 178.663 175.900 0.008 0.000 1.137 12 Y CA 1.886 60.122 58.100 0.226 0.000 1.163 12 Y CB -0.238 38.446 38.460 0.374 0.000 0.988 12 Y HN 0.188 nan 8.280 nan 0.000 0.518 13 K N 0.662 120.926 120.400 -0.227 0.000 1.991 13 K HA -0.297 4.023 4.320 -0.000 0.000 0.212 13 K C 1.956 178.329 176.600 -0.377 0.000 1.049 13 K CA 2.068 57.831 56.287 -0.873 0.000 0.932 13 K CB -0.356 31.302 32.500 -1.403 0.000 0.717 13 K HN 0.226 nan 8.250 nan 0.000 0.441 14 N N -0.005 118.570 118.700 -0.207 0.000 2.069 14 N HA -0.177 4.562 4.740 -0.000 0.000 0.191 14 N C 1.596 177.126 175.510 0.033 0.000 1.031 14 N CA 1.856 54.863 53.050 -0.071 0.000 0.852 14 N CB -0.271 38.189 38.487 -0.046 0.000 1.018 14 N HN 0.349 nan 8.380 nan 0.000 0.423 15 A N 0.368 123.248 122.820 0.099 0.000 1.883 15 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 15 A C 2.191 179.871 177.584 0.160 0.000 1.186 15 A CA 1.585 53.741 52.037 0.198 0.000 0.624 15 A CB -1.075 18.140 19.000 0.359 0.000 0.822 15 A HN 0.437 nan 8.150 nan 0.000 0.444 16 L N -0.511 120.796 121.223 0.141 0.000 1.994 16 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 16 L C 2.254 179.200 176.870 0.126 0.000 1.071 16 L CA 1.950 56.868 54.840 0.130 0.000 0.745 16 L CB -0.381 41.785 42.059 0.178 0.000 0.892 16 L HN 0.399 nan 8.230 nan 0.000 0.431 17 L N -0.949 120.338 121.223 0.106 0.000 2.249 17 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 17 L C 1.729 178.701 176.870 0.171 0.000 1.090 17 L CA 0.430 55.372 54.840 0.170 0.000 0.802 17 L CB -0.431 41.712 42.059 0.141 0.000 0.947 17 L HN 0.287 nan 8.230 nan 0.000 0.453 18 N N -1.149 117.625 118.700 0.122 0.000 2.325 18 N HA -0.079 4.661 4.740 -0.000 0.000 0.182 18 N C 1.136 176.734 175.510 0.145 0.000 1.088 18 N CA 0.604 53.726 53.050 0.121 0.000 0.879 18 N CB 0.469 39.004 38.487 0.079 0.000 0.983 18 N HN 0.296 nan 8.380 nan 0.000 0.471 19 D N -0.580 119.919 120.400 0.166 0.000 3.194 19 D HA 0.078 4.718 4.640 -0.000 0.000 0.290 19 D C 1.689 178.133 176.300 0.239 0.000 1.280 19 D CA 0.355 54.470 54.000 0.192 0.000 1.058 19 D CB 0.170 41.083 40.800 0.187 0.000 1.241 19 D HN -0.178 nan 8.370 nan 0.000 0.421 20 V N 1.812 121.857 119.914 0.219 0.000 2.283 20 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 20 V C 2.833 179.169 176.094 0.404 0.000 1.039 20 V CA 1.187 63.648 62.300 0.268 0.000 1.016 20 V CB -0.512 31.412 31.823 0.169 0.000 0.650 20 V HN 0.222 nan 8.190 nan 0.000 0.449 21 L N -0.297 121.103 121.223 0.294 0.000 2.056 21 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 21 L C 0.010 177.152 176.870 0.453 0.000 1.078 21 L CA 1.581 56.626 54.840 0.343 0.000 0.749 21 L CB -1.856 40.306 42.059 0.172 0.000 0.901 21 L HN 0.347 nan 8.230 nan 0.000 0.433 22 P HA -0.216 nan 4.420 nan 0.000 0.218 22 P C 1.562 178.984 177.300 0.204 0.000 1.148 22 P CA 1.347 64.600 63.100 0.255 0.000 0.822 22 P CB -0.039 31.777 31.700 0.194 0.000 0.784 23 F N -1.212 118.806 119.950 0.113 0.000 2.069 23 F HA -0.186 4.340 4.527 -0.000 0.000 0.298 23 F C 1.836 177.597 175.800 -0.065 0.000 1.113 23 F CA 1.546 59.552 58.000 0.010 0.000 1.214 23 F CB -0.768 38.196 39.000 -0.061 0.000 0.978 23 F HN -0.128 nan 8.300 nan 0.000 0.474 24 W N 0.820 122.368 121.300 0.413 0.000 2.358 24 W HA -0.129 4.531 4.660 -0.000 0.000 0.303 24 W C 2.593 179.198 176.519 0.142 0.000 1.208 24 W CA 1.573 59.098 57.345 0.300 0.000 1.274 24 W CB -0.801 28.877 29.460 0.364 0.000 1.138 24 W HN 0.113 nan 8.180 nan 0.000 0.515 25 E N 0.385 120.781 120.200 0.327 0.000 2.110 25 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 25 E C 1.735 178.332 176.600 -0.006 0.000 0.988 25 E CA 1.451 57.933 56.400 0.136 0.000 0.804 25 E CB -0.183 29.612 29.700 0.157 0.000 0.745 25 E HN 0.159 nan 8.360 nan 0.000 0.458 26 N N -0.604 118.001 118.700 -0.158 0.000 2.409 26 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 26 N C 0.972 176.172 175.510 -0.517 0.000 1.032 26 N CA 0.911 53.724 53.050 -0.395 0.000 0.898 26 N CB 0.169 38.269 38.487 -0.644 0.000 0.971 26 N HN 0.349 nan 8.380 nan 0.000 0.441 27 H N -1.958 116.985 119.070 -0.212 0.000 3.400 27 H HA 0.245 4.801 4.556 -0.000 0.000 0.251 27 H C 1.250 176.561 175.328 -0.027 0.000 1.040 27 H CA 0.513 56.411 56.048 -0.249 0.000 1.175 27 H CB 0.420 29.789 29.762 -0.656 0.000 1.487 27 H HN 0.190 nan 8.280 nan 0.000 0.505 28 S N 0.486 116.301 115.700 0.193 0.000 2.539 28 S HA 0.203 4.673 4.470 -0.000 0.000 0.221 28 S C 0.652 175.435 174.600 0.305 0.000 0.987 28 S CA -0.375 58.047 58.200 0.369 0.000 0.929 28 S CB -0.129 63.425 63.200 0.589 0.000 0.832 28 S HN 0.048 nan 8.310 nan 0.000 0.492 29 L N 2.975 124.319 121.223 0.202 0.000 2.313 29 L HA 0.427 4.767 4.340 -0.000 0.000 0.282 29 L C -0.232 176.593 176.870 -0.074 0.000 1.092 29 L CA -0.395 54.496 54.840 0.085 0.000 0.831 29 L CB 0.482 42.578 42.059 0.062 0.000 1.159 29 L HN 0.173 nan 8.230 nan 0.000 0.442 30 D N 1.631 121.788 120.400 -0.405 0.000 2.274 30 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 30 D C 1.139 177.267 176.300 -0.286 0.000 1.104 30 D CA -0.355 53.311 54.000 -0.557 0.000 0.840 30 D CB 1.701 41.797 40.800 -1.175 0.000 1.100 30 D HN 0.539 nan 8.370 nan 0.000 0.477 31 S N 2.955 118.590 115.700 -0.108 0.000 2.419 31 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 31 S C 1.229 175.768 174.600 -0.101 0.000 1.019 31 S CA 0.854 59.008 58.200 -0.076 0.000 0.982 31 S CB -0.252 62.939 63.200 -0.015 0.000 0.789 31 S HN 0.644 nan 8.310 nan 0.000 0.490 32 E N 1.306 121.423 120.200 -0.139 0.000 2.511 32 E HA 0.321 4.671 4.350 -0.000 0.000 0.196 32 E C 0.697 177.181 176.600 -0.193 0.000 1.066 32 E CA 0.153 56.482 56.400 -0.119 0.000 0.871 32 E CB -0.172 29.468 29.700 -0.099 0.000 0.863 32 E HN 0.725 nan 8.360 nan 0.000 0.520 33 G N -0.349 108.230 108.800 -0.367 0.000 2.906 33 G HA2 0.211 4.171 3.960 -0.000 0.000 0.686 33 G HA3 0.211 4.171 3.960 -0.000 0.000 0.686 33 G C 0.211 174.358 174.900 -1.254 0.000 1.170 33 G CA -0.663 44.122 45.100 -0.524 0.000 0.775 33 G HN 0.505 nan 8.290 nan 0.000 0.630 34 G N 0.603 108.762 108.800 -1.069 0.000 2.553 34 G HA2 0.237 4.196 3.960 -0.000 0.000 0.242 34 G HA3 0.237 4.196 3.960 -0.000 0.000 0.242 34 G C -0.252 173.923 174.900 -1.208 0.000 1.277 34 G CA 0.643 44.962 45.100 -1.301 0.000 0.910 34 G HN 2.041 nan 8.290 nan 0.000 0.576 35 Y N -1.509 118.529 120.300 -0.435 0.000 2.562 35 Y HA 0.636 5.186 4.550 -0.000 0.000 0.345 35 Y C -0.028 175.695 175.900 -0.296 0.000 1.045 35 Y CA -1.049 56.865 58.100 -0.309 0.000 1.028 35 Y CB 1.669 40.117 38.460 -0.021 0.000 1.297 35 Y HN 0.491 nan 8.280 nan 0.000 0.463 36 F N 0.912 120.984 119.950 0.204 0.000 2.411 36 F HA 0.253 4.780 4.527 -0.000 0.000 0.355 36 F C 1.170 177.128 175.800 0.263 0.000 1.117 36 F CA -0.414 57.662 58.000 0.127 0.000 1.139 36 F CB 1.542 40.570 39.000 0.046 0.000 1.120 36 F HN 0.653 nan 8.300 nan 0.000 0.493 37 T N -2.300 112.506 114.554 0.420 0.000 3.014 37 T HA 0.029 4.379 4.350 -0.000 0.000 0.250 37 T C 0.519 175.401 174.700 0.302 0.000 1.060 37 T CA 0.059 62.449 62.100 0.483 0.000 1.040 37 T CB -0.375 68.744 68.868 0.418 0.000 0.971 37 T HN 0.519 nan 8.240 nan 0.000 0.497 38 C N 3.361 122.704 119.300 0.073 0.000 2.262 38 C HA 0.582 5.042 4.460 -0.000 0.000 0.413 38 C C 0.082 174.784 174.990 -0.480 0.000 1.019 38 C CA -1.133 57.642 59.018 -0.405 0.000 1.320 38 C CB -2.318 24.980 27.740 -0.738 0.000 1.657 38 C HN 0.556 nan 8.230 nan 0.000 0.510 39 L N 3.588 124.825 121.223 0.023 0.000 2.341 39 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 39 L C 0.252 177.322 176.870 0.333 0.000 1.005 39 L CA -0.465 54.452 54.840 0.127 0.000 0.818 39 L CB 1.490 43.587 42.059 0.063 0.000 1.259 39 L HN 0.488 nan 8.230 nan 0.000 0.418 40 D N 2.151 122.726 120.400 0.291 0.000 2.398 40 D HA 0.010 4.650 4.640 -0.000 0.000 0.264 40 D C 1.095 177.413 176.300 0.030 0.000 1.263 40 D CA -0.365 53.725 54.000 0.149 0.000 1.037 40 D CB 0.588 41.417 40.800 0.049 0.000 1.101 40 D HN 0.430 nan 8.370 nan 0.000 0.551 41 R N -1.134 119.335 120.500 -0.052 0.000 2.127 41 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 41 R C 1.586 177.736 176.300 -0.251 0.000 1.134 41 R CA 1.507 57.508 56.100 -0.166 0.000 0.975 41 R CB -0.038 30.157 30.300 -0.175 0.000 0.865 41 R HN 0.404 nan 8.270 nan 0.000 0.447 42 Q N -1.527 118.109 119.800 -0.272 0.000 2.408 42 Q HA 0.195 4.535 4.340 -0.000 0.000 0.205 42 Q C 0.876 176.678 176.000 -0.330 0.000 0.919 42 Q CA 0.846 56.501 55.803 -0.247 0.000 0.932 42 Q CB 1.154 29.765 28.738 -0.211 0.000 1.058 42 Q HN 0.601 nan 8.270 nan 0.000 0.517 43 G N 0.390 108.979 108.800 -0.351 0.000 2.179 43 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 43 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 43 G C 0.071 174.667 174.900 -0.507 0.000 0.990 43 G CA 0.044 44.619 45.100 -0.875 0.000 0.646 43 G HN 0.248 nan 8.290 nan 0.000 0.517 44 K N 1.003 121.257 120.400 -0.245 0.000 2.270 44 K HA 0.536 4.856 4.320 -0.000 0.000 0.276 44 K C 0.606 177.164 176.600 -0.070 0.000 1.023 44 K CA -0.517 55.694 56.287 -0.127 0.000 0.955 44 K CB 0.854 33.308 32.500 -0.077 0.000 0.975 44 K HN 0.016 nan 8.250 nan 0.000 0.471 45 V N 6.121 125.949 119.914 -0.143 0.000 2.555 45 V HA 0.002 4.122 4.120 -0.000 0.000 0.286 45 V C 0.206 176.240 176.094 -0.101 0.000 1.044 45 V CA -0.010 62.154 62.300 -0.226 0.000 1.026 45 V CB 0.288 31.783 31.823 -0.548 0.000 0.981 45 V HN 0.923 nan 8.190 nan 0.000 0.480 46 Y N 0.863 121.117 120.300 -0.076 0.000 2.500 46 Y HA 0.587 5.137 4.550 -0.000 0.000 0.246 46 Y C 0.206 176.097 175.900 -0.014 0.000 1.146 46 Y CA -0.754 57.321 58.100 -0.042 0.000 1.230 46 Y CB 0.702 39.155 38.460 -0.012 0.000 1.214 46 Y HN 0.546 nan 8.280 nan 0.000 0.526 47 D N 0.375 120.612 120.400 -0.271 0.000 2.836 47 D HA 0.107 4.747 4.640 -0.000 0.000 0.215 47 D C -0.092 176.132 176.300 -0.127 0.000 1.255 47 D CA 0.426 54.347 54.000 -0.131 0.000 0.822 47 D CB 2.161 42.929 40.800 -0.054 0.000 1.656 47 D HN 0.128 nan 8.370 nan 0.000 0.511 48 T N -0.644 113.881 114.554 -0.049 0.000 3.086 48 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 48 T C 0.431 175.159 174.700 0.047 0.000 1.074 48 T CA -0.247 61.902 62.100 0.081 0.000 0.988 48 T CB 0.163 69.091 68.868 0.101 0.000 0.988 48 T HN 0.118 nan 8.240 nan 0.000 0.530 49 D N 2.606 122.943 120.400 -0.105 0.000 2.419 49 D HA 0.169 4.809 4.640 -0.000 0.000 0.236 49 D C 0.154 176.131 176.300 -0.538 0.000 1.165 49 D CA 0.377 54.159 54.000 -0.364 0.000 0.882 49 D CB 0.581 41.042 40.800 -0.564 0.000 1.201 49 D HN 0.104 nan 8.370 nan 0.000 0.443 50 K N 2.487 122.555 120.400 -0.553 0.000 2.414 50 K HA 0.220 4.540 4.320 -0.000 0.000 0.251 50 K C -0.659 175.676 176.600 -0.443 0.000 1.037 50 K CA -0.501 55.589 56.287 -0.328 0.000 0.980 50 K CB 0.139 32.625 32.500 -0.024 0.000 1.280 50 K HN 0.272 nan 8.250 nan 0.000 0.451 51 F N 3.682 123.577 119.950 -0.093 0.000 2.434 51 F HA 0.149 4.676 4.527 -0.000 0.000 0.358 51 F C 1.888 177.597 175.800 -0.151 0.000 1.136 51 F CA -0.543 57.270 58.000 -0.312 0.000 1.157 51 F CB 0.440 39.181 39.000 -0.432 0.000 1.167 51 F HN 0.321 nan 8.300 nan 0.000 0.539 52 I N 2.022 122.598 120.570 0.009 0.000 2.286 52 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 52 I C 1.908 178.268 176.117 0.405 0.000 1.115 52 I CA 1.236 62.704 61.300 0.280 0.000 1.392 52 I CB -0.452 37.807 38.000 0.431 0.000 1.065 52 I HN 0.689 nan 8.210 nan 0.000 0.418 53 W N 1.229 122.579 121.300 0.082 0.000 2.335 53 W HA -0.168 4.492 4.660 -0.000 0.000 0.311 53 W C 2.565 179.055 176.519 -0.048 0.000 1.213 53 W CA 0.738 58.168 57.345 0.141 0.000 1.274 53 W CB -1.368 28.227 29.460 0.224 0.000 1.148 53 W HN 0.095 nan 8.180 nan 0.000 0.498 54 L N -0.258 121.098 121.223 0.221 0.000 2.179 54 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 54 L C 2.644 179.591 176.870 0.128 0.000 1.096 54 L CA 0.809 55.714 54.840 0.109 0.000 0.779 54 L CB -0.787 41.361 42.059 0.148 0.000 0.922 54 L HN -0.034 nan 8.230 nan 0.000 0.443 55 Q N 0.076 120.015 119.800 0.233 0.000 2.050 55 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 55 Q C 1.947 178.129 176.000 0.304 0.000 0.980 55 Q CA 1.296 57.310 55.803 0.353 0.000 0.840 55 Q CB -0.482 28.471 28.738 0.359 0.000 0.898 55 Q HN 0.533 nan 8.270 nan 0.000 0.424 56 N N 0.596 119.430 118.700 0.222 0.000 2.120 56 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 56 N C 1.707 177.247 175.510 0.049 0.000 1.024 56 N CA 0.780 53.911 53.050 0.135 0.000 0.852 56 N CB -0.103 38.445 38.487 0.101 0.000 1.003 56 N HN 0.157 nan 8.380 nan 0.000 0.424 57 R N 1.274 121.714 120.500 -0.100 0.000 2.103 57 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 57 R C 2.115 178.431 176.300 0.027 0.000 1.142 57 R CA 1.008 56.977 56.100 -0.218 0.000 0.960 57 R CB -0.790 29.209 30.300 -0.501 0.000 0.858 57 R HN 0.537 nan 8.270 nan 0.000 0.439 58 Q N 0.471 120.254 119.800 -0.029 0.000 2.083 58 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 58 Q C 2.051 178.084 176.000 0.055 0.000 0.969 58 Q CA 1.155 56.889 55.803 -0.114 0.000 0.838 58 Q CB 0.161 28.618 28.738 -0.469 0.000 0.900 58 Q HN 0.077 nan 8.270 nan 0.000 0.436 59 V N 0.212 120.215 119.914 0.149 0.000 2.324 59 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 59 V C 1.810 177.969 176.094 0.109 0.000 1.060 59 V CA 2.123 64.505 62.300 0.137 0.000 1.042 59 V CB -0.814 31.015 31.823 0.011 0.000 0.650 59 V HN 0.624 nan 8.190 nan 0.000 0.450 60 W N 1.009 122.281 121.300 -0.047 0.000 2.355 60 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 60 W C 2.535 179.011 176.519 -0.073 0.000 1.206 60 W CA 2.456 59.770 57.345 -0.052 0.000 1.284 60 W CB -0.599 28.810 29.460 -0.084 0.000 1.145 60 W HN 0.154 nan 8.180 nan 0.000 0.502 61 T N 1.056 115.613 114.554 0.004 0.000 2.622 61 T HA -0.279 4.071 4.350 -0.000 0.000 0.266 61 T C 1.562 175.876 174.700 -0.642 0.000 1.047 61 T CA 2.210 64.079 62.100 -0.385 0.000 1.159 61 T CB -0.885 67.811 68.868 -0.286 0.000 0.863 61 T HN 0.100 nan 8.240 nan 0.000 0.422 62 F N 1.538 121.274 119.950 -0.358 0.000 2.134 62 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 62 F C 2.921 178.566 175.800 -0.259 0.000 1.097 62 F CA 0.990 58.779 58.000 -0.352 0.000 1.264 62 F CB -0.529 38.366 39.000 -0.176 0.000 1.001 62 F HN 0.083 nan 8.300 nan 0.000 0.479 63 S N 0.210 115.873 115.700 -0.063 0.000 2.356 63 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 63 S C 2.156 176.573 174.600 -0.305 0.000 1.032 63 S CA 1.366 59.507 58.200 -0.097 0.000 1.005 63 S CB -0.469 62.698 63.200 -0.055 0.000 0.867 63 S HN 0.339 nan 8.310 nan 0.000 0.449 64 M N 1.585 120.815 119.600 -0.616 0.000 2.149 64 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 64 M C 1.776 177.738 176.300 -0.564 0.000 1.064 64 M CA 1.625 56.480 55.300 -0.743 0.000 1.102 64 M CB -1.090 30.657 32.600 -1.422 0.000 1.369 64 M HN 0.302 nan 8.290 nan 0.000 0.408 65 L N -0.505 120.372 121.223 -0.577 0.000 2.093 65 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 65 L C 2.638 179.480 176.870 -0.047 0.000 1.085 65 L CA 0.978 55.525 54.840 -0.487 0.000 0.755 65 L CB -0.748 40.799 42.059 -0.854 0.000 0.904 65 L HN 0.386 nan 8.230 nan 0.000 0.435 66 C N 0.035 119.372 119.300 0.062 0.000 2.429 66 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 66 C C 2.604 177.586 174.990 -0.013 0.000 1.262 66 C CA 0.762 59.870 59.018 0.150 0.000 1.733 66 C CB -1.090 26.717 27.740 0.112 0.000 2.010 66 C HN 0.590 nan 8.230 nan 0.000 0.483 67 N N 0.366 118.990 118.700 -0.128 0.000 2.216 67 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 67 N C 1.858 177.292 175.510 -0.126 0.000 1.017 67 N CA 1.053 54.004 53.050 -0.164 0.000 0.861 67 N CB -0.421 37.925 38.487 -0.235 0.000 0.986 67 N HN 0.639 nan 8.380 nan 0.000 0.428 68 Q N -0.190 119.522 119.800 -0.147 0.000 2.297 68 Q HA 0.197 4.536 4.340 -0.000 0.000 0.203 68 Q C 1.772 177.768 176.000 -0.007 0.000 0.931 68 Q CA 0.398 56.146 55.803 -0.092 0.000 0.885 68 Q CB 0.620 29.261 28.738 -0.162 0.000 0.991 68 Q HN 0.346 nan 8.270 nan 0.000 0.498 69 L N -0.568 120.676 121.223 0.034 0.000 2.985 69 L HA 0.272 4.612 4.340 -0.000 0.000 0.177 69 L C 0.642 177.588 176.870 0.127 0.000 1.387 69 L CA 0.047 54.976 54.840 0.148 0.000 0.982 69 L CB 0.384 42.639 42.059 0.327 0.000 1.376 69 L HN 0.006 nan 8.230 nan 0.000 0.603 70 E N -0.239 120.066 120.200 0.175 0.000 2.331 70 E HA 0.193 4.543 4.350 -0.000 0.000 0.275 70 E C -1.095 175.534 176.600 0.048 0.000 0.895 70 E CA -0.558 55.875 56.400 0.055 0.000 0.753 70 E CB 1.948 31.636 29.700 -0.020 0.000 1.216 70 E HN 0.026 nan 8.360 nan 0.000 0.434 71 K N 3.241 123.638 120.400 -0.004 0.000 2.715 71 K HA 0.144 4.463 4.320 -0.000 0.000 0.248 71 K C -0.225 176.343 176.600 -0.053 0.000 1.276 71 K CA -0.099 56.189 56.287 0.002 0.000 1.209 71 K CB 0.018 32.502 32.500 -0.026 0.000 1.509 71 K HN 0.121 nan 8.250 nan 0.000 0.261 72 R N 1.341 121.748 120.500 -0.154 0.000 2.570 72 R HA -0.082 4.258 4.340 -0.000 0.000 0.277 72 R C 1.257 177.473 176.300 -0.139 0.000 1.039 72 R CA 0.213 56.113 56.100 -0.332 0.000 1.065 72 R CB 0.522 30.232 30.300 -0.982 0.000 0.964 72 R HN 0.587 nan 8.270 nan 0.000 0.428 73 E N 3.543 123.671 120.200 -0.121 0.000 2.085 73 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 73 E C 1.244 177.846 176.600 0.004 0.000 0.994 73 E CA 2.107 58.485 56.400 -0.036 0.000 0.801 73 E CB 0.061 29.736 29.700 -0.041 0.000 0.743 73 E HN 0.775 nan 8.360 nan 0.000 0.453 74 N N -0.925 117.754 118.700 -0.036 0.000 2.171 74 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 74 N C 1.673 177.288 175.510 0.175 0.000 1.021 74 N CA 0.912 53.988 53.050 0.042 0.000 0.854 74 N CB -0.485 38.025 38.487 0.039 0.000 0.994 74 N HN 0.163 nan 8.380 nan 0.000 0.426 75 W N 1.415 122.757 121.300 0.070 0.000 2.335 75 W HA 0.034 4.694 4.660 -0.000 0.000 0.311 75 W C 2.064 178.636 176.519 0.088 0.000 1.213 75 W CA 0.199 57.629 57.345 0.142 0.000 1.274 75 W CB -1.134 28.491 29.460 0.275 0.000 1.148 75 W HN 0.110 nan 8.180 nan 0.000 0.498 76 L N 0.301 121.710 121.223 0.310 0.000 2.012 76 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 76 L C 2.625 179.622 176.870 0.211 0.000 1.073 76 L CA 1.904 56.896 54.840 0.254 0.000 0.748 76 L CB -0.880 41.283 42.059 0.174 0.000 0.891 76 L HN -0.035 nan 8.230 nan 0.000 0.431 77 K N 0.702 121.182 120.400 0.132 0.000 2.057 77 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 77 K C 2.112 178.736 176.600 0.039 0.000 1.050 77 K CA 1.257 57.595 56.287 0.086 0.000 0.935 77 K CB -0.066 32.466 32.500 0.054 0.000 0.715 77 K HN 0.205 nan 8.250 nan 0.000 0.439 78 I N 1.272 121.828 120.570 -0.023 0.000 2.127 78 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 78 I C 2.545 178.658 176.117 -0.006 0.000 1.075 78 I CA 1.444 62.667 61.300 -0.128 0.000 1.334 78 I CB -0.390 37.252 38.000 -0.597 0.000 1.040 78 I HN 0.258 nan 8.210 nan 0.000 0.405 79 A N 0.449 123.281 122.820 0.021 0.000 1.902 79 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 79 A C 2.450 179.929 177.584 -0.174 0.000 1.181 79 A CA 1.727 53.797 52.037 0.055 0.000 0.623 79 A CB -0.649 18.471 19.000 0.199 0.000 0.818 79 A HN 0.353 nan 8.150 nan 0.000 0.443 80 R N -0.404 120.017 120.500 -0.131 0.000 2.092 80 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 80 R C 1.570 177.819 176.300 -0.085 0.000 1.119 80 R CA 1.602 57.557 56.100 -0.243 0.000 0.970 80 R CB -0.246 30.131 30.300 0.128 0.000 0.864 80 R HN 0.506 nan 8.270 nan 0.000 0.440 81 N N -0.211 118.466 118.700 -0.037 0.000 2.270 81 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 81 N C 1.609 177.051 175.510 -0.115 0.000 1.016 81 N CA 1.288 54.307 53.050 -0.050 0.000 0.870 81 N CB -0.395 38.054 38.487 -0.064 0.000 0.979 81 N HN 0.367 nan 8.380 nan 0.000 0.431 82 G N 0.625 109.318 108.800 -0.178 0.000 2.402 82 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 82 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 82 G C 1.653 176.574 174.900 0.036 0.000 1.162 82 G CA 1.044 45.986 45.100 -0.263 0.000 0.777 82 G HN 0.414 nan 8.290 nan 0.000 0.539 83 A N 0.765 123.552 122.820 -0.054 0.000 1.877 83 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 83 A C 2.316 180.166 177.584 0.443 0.000 1.186 83 A CA 1.867 53.894 52.037 -0.017 0.000 0.620 83 A CB -0.344 18.346 19.000 -0.517 0.000 0.822 83 A HN 0.308 nan 8.150 nan 0.000 0.443 84 K N -1.440 119.139 120.400 0.298 0.000 2.026 84 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 84 K C 1.853 178.548 176.600 0.158 0.000 1.048 84 K CA 1.641 58.025 56.287 0.163 0.000 0.929 84 K CB -0.439 32.071 32.500 0.017 0.000 0.713 84 K HN 0.552 nan 8.250 nan 0.000 0.439 85 F N 2.012 121.993 119.950 0.052 0.000 2.095 85 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 85 F C 1.941 177.857 175.800 0.192 0.000 1.104 85 F CA 1.343 59.400 58.000 0.093 0.000 1.232 85 F CB -0.138 38.863 39.000 0.003 0.000 0.987 85 F HN -0.088 nan 8.300 nan 0.000 0.475 86 L N -0.108 121.297 121.223 0.304 0.000 2.056 86 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 86 L C 2.850 179.886 176.870 0.277 0.000 1.078 86 L CA 1.034 56.115 54.840 0.401 0.000 0.749 86 L CB -1.186 41.371 42.059 0.829 0.000 0.901 86 L HN 0.255 nan 8.230 nan 0.000 0.433 87 A N -0.387 122.662 122.820 0.382 0.000 1.940 87 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 87 A C 2.267 179.763 177.584 -0.147 0.000 1.176 87 A CA 1.988 54.111 52.037 0.144 0.000 0.631 87 A CB -0.547 18.648 19.000 0.324 0.000 0.814 87 A HN 0.520 nan 8.150 nan 0.000 0.446 88 Q N -1.953 117.694 119.800 -0.255 0.000 2.123 88 Q HA -0.158 4.182 4.340 -0.000 0.000 0.199 88 Q C 1.292 176.903 176.000 -0.648 0.000 0.966 88 Q CA 1.478 56.967 55.803 -0.523 0.000 0.845 88 Q CB -0.006 28.293 28.738 -0.731 0.000 0.907 88 Q HN 0.825 nan 8.270 nan 0.000 0.439 89 H N -2.710 116.163 119.070 -0.329 0.000 3.440 89 H HA 0.230 4.786 4.556 -0.000 0.000 0.259 89 H C 1.476 176.700 175.328 -0.174 0.000 1.120 89 H CA 0.643 56.501 56.048 -0.317 0.000 1.191 89 H CB 0.774 30.192 29.762 -0.573 0.000 1.537 89 H HN 0.355 nan 8.280 nan 0.000 0.547 90 G N 0.991 109.696 108.800 -0.158 0.000 2.572 90 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 90 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 90 G C 0.762 175.434 174.900 -0.380 0.000 1.133 90 G CA -0.024 44.991 45.100 -0.142 0.000 0.791 90 G HN 0.135 nan 8.290 nan 0.000 0.538 91 R N 0.488 120.647 120.500 -0.568 0.000 2.740 91 R HA 0.407 4.747 4.340 -0.000 0.000 0.282 91 R C -0.871 175.142 176.300 -0.478 0.000 0.969 91 R CA -0.823 54.822 56.100 -0.759 0.000 0.918 91 R CB 1.535 31.317 30.300 -0.863 0.000 1.175 91 R HN 0.222 nan 8.270 nan 0.000 0.464 92 D N 0.120 120.127 120.400 -0.655 0.000 2.414 92 D HA -0.020 4.620 4.640 -0.000 0.000 0.259 92 D C 0.155 176.357 176.300 -0.163 0.000 1.269 92 D CA -0.317 53.526 54.000 -0.262 0.000 1.028 92 D CB 0.503 41.210 40.800 -0.155 0.000 1.093 92 D HN 0.313 nan 8.370 nan 0.000 0.545 93 D N -0.926 119.435 120.400 -0.065 0.000 2.264 93 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 93 D C 0.949 177.194 176.300 -0.091 0.000 0.966 93 D CA 0.938 54.898 54.000 -0.067 0.000 0.864 93 D CB -0.052 40.731 40.800 -0.028 0.000 0.933 93 D HN 0.534 nan 8.370 nan 0.000 0.499 94 E N -0.692 119.445 120.200 -0.106 0.000 2.476 94 E HA 0.290 4.640 4.350 -0.000 0.000 0.191 94 E C 1.291 177.801 176.600 -0.151 0.000 1.064 94 E CA 0.349 56.681 56.400 -0.112 0.000 0.866 94 E CB 0.300 29.938 29.700 -0.103 0.000 0.952 94 E HN 0.187 nan 8.360 nan 0.000 0.492 95 G N 1.037 109.715 108.800 -0.204 0.000 2.159 95 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 95 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 95 G C -0.180 174.550 174.900 -0.283 0.000 0.977 95 G CA -0.293 44.661 45.100 -0.244 0.000 0.652 95 G HN 0.218 nan 8.290 nan 0.000 0.531 96 N N 0.124 118.627 118.700 -0.329 0.000 2.497 96 N HA 0.329 5.069 4.740 -0.000 0.000 0.271 96 N C -0.054 175.261 175.510 -0.325 0.000 1.142 96 N CA 0.088 52.926 53.050 -0.352 0.000 0.965 96 N CB 0.468 38.530 38.487 -0.707 0.000 1.077 96 N HN 0.312 nan 8.380 nan 0.000 0.462 97 W N 1.968 123.194 121.300 -0.123 0.000 2.272 97 W HA 0.232 4.892 4.660 -0.000 0.000 0.318 97 W C 0.523 177.173 176.519 0.218 0.000 1.255 97 W CA -0.210 57.152 57.345 0.028 0.000 1.200 97 W CB 0.156 29.690 29.460 0.123 0.000 1.170 97 W HN 0.440 nan 8.180 nan 0.000 0.549 98 Y N 1.382 121.986 120.300 0.507 0.000 2.281 98 Y HA 0.050 4.600 4.550 -0.000 0.000 0.337 98 Y C 1.229 177.440 175.900 0.518 0.000 1.304 98 Y CA -0.576 57.787 58.100 0.437 0.000 1.465 98 Y CB 0.351 38.957 38.460 0.243 0.000 1.350 98 Y HN 0.490 nan 8.280 nan 0.000 0.575 99 F N 0.431 120.659 119.950 0.465 0.000 2.317 99 F HA 0.456 4.983 4.527 -0.000 0.000 0.290 99 F C 0.435 176.369 175.800 0.223 0.000 1.075 99 F CA 0.643 58.825 58.000 0.304 0.000 1.380 99 F CB 0.048 39.123 39.000 0.125 0.000 1.093 99 F HN 0.323 nan 8.300 nan 0.000 0.524 100 A N 0.522 123.411 122.820 0.116 0.000 2.574 100 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 100 A C -1.679 175.858 177.584 -0.079 0.000 1.062 100 A CA -0.637 51.350 52.037 -0.083 0.000 0.686 100 A CB 1.069 20.066 19.000 -0.006 0.000 1.285 100 A HN 0.180 nan 8.150 nan 0.000 0.403 101 L N 0.447 121.576 121.223 -0.156 0.000 2.333 101 L HA 0.592 4.932 4.340 -0.000 0.000 0.263 101 L C 0.573 177.336 176.870 -0.179 0.000 1.014 101 L CA -0.905 53.846 54.840 -0.148 0.000 0.820 101 L CB 2.123 44.138 42.059 -0.073 0.000 1.352 101 L HN 0.718 nan 8.230 nan 0.000 0.421 102 T N 0.262 114.733 114.554 -0.139 0.000 2.855 102 T HA -0.011 4.339 4.350 -0.000 0.000 0.314 102 T C 1.273 175.931 174.700 -0.069 0.000 1.077 102 T CA 0.193 62.228 62.100 -0.108 0.000 1.095 102 T CB 0.666 69.478 68.868 -0.094 0.000 0.987 102 T HN 0.637 nan 8.240 nan 0.000 0.546 103 R N 1.617 122.087 120.500 -0.049 0.000 2.119 103 R HA -0.150 4.190 4.340 -0.000 0.000 0.246 103 R C 2.174 178.467 176.300 -0.011 0.000 1.146 103 R CA 2.094 58.179 56.100 -0.025 0.000 0.962 103 R CB -0.850 29.475 30.300 0.041 0.000 0.863 103 R HN 0.749 nan 8.270 nan 0.000 0.442 104 G N -1.857 106.929 108.800 -0.023 0.000 2.920 104 G HA2 0.169 4.129 3.960 -0.000 0.000 0.208 104 G HA3 0.169 4.129 3.960 -0.000 0.000 0.208 104 G C 0.824 175.601 174.900 -0.205 0.000 1.159 104 G CA 0.479 45.553 45.100 -0.044 0.000 0.784 104 G HN 0.642 nan 8.290 nan 0.000 0.535 105 G N -0.476 108.204 108.800 -0.200 0.000 2.184 105 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 105 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 105 G C 0.019 174.718 174.900 -0.336 0.000 0.995 105 G CA -0.084 44.699 45.100 -0.528 0.000 0.651 105 G HN 0.509 nan 8.290 nan 0.000 0.511 106 E N 2.208 122.279 120.200 -0.215 0.000 2.344 106 E HA 0.318 4.668 4.350 -0.000 0.000 0.270 106 E C -2.150 174.310 176.600 -0.233 0.000 1.021 106 E CA -1.396 54.899 56.400 -0.175 0.000 0.887 106 E CB 1.062 30.688 29.700 -0.123 0.000 0.997 106 E HN 0.206 nan 8.360 nan 0.000 0.429 107 P HA 0.046 nan 4.420 nan 0.000 0.276 107 P C -0.707 176.398 177.300 -0.325 0.000 1.235 107 P CA 0.191 62.944 63.100 -0.579 0.000 0.772 107 P CB 0.530 31.537 31.700 -1.154 0.000 0.871 108 L N 3.607 124.698 121.223 -0.221 0.000 2.264 108 L HA 0.346 4.686 4.340 -0.000 0.000 0.289 108 L C 0.672 177.519 176.870 -0.039 0.000 1.044 108 L CA -0.942 53.847 54.840 -0.085 0.000 0.807 108 L CB 1.644 43.693 42.059 -0.017 0.000 1.192 108 L HN 0.152 nan 8.230 nan 0.000 0.425 109 V N 5.724 125.617 119.914 -0.034 0.000 2.498 109 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 109 V C -0.255 175.836 176.094 -0.006 0.000 1.048 109 V CA 0.044 62.329 62.300 -0.024 0.000 0.967 109 V CB 1.298 33.104 31.823 -0.028 0.000 0.988 109 V HN 0.960 nan 8.190 nan 0.000 0.473 110 Q N 5.078 124.863 119.800 -0.025 0.000 2.702 110 Q HA 0.515 4.855 4.340 -0.000 0.000 0.289 110 Q C -3.020 172.923 176.000 -0.096 0.000 0.923 110 Q CA -1.866 53.914 55.803 -0.038 0.000 0.787 110 Q CB 0.755 29.483 28.738 -0.018 0.000 1.476 110 Q HN 0.481 nan 8.270 nan 0.000 0.402 111 P HA -0.077 nan 4.420 nan 0.000 0.263 111 P C -1.069 176.211 177.300 -0.034 0.000 1.162 111 P CA 0.614 63.682 63.100 -0.053 0.000 0.758 111 P CB 0.030 31.721 31.700 -0.015 0.000 0.773 112 Y N 1.623 121.982 120.300 0.098 0.000 2.550 112 Y HA 0.108 4.658 4.550 -0.000 0.000 0.343 112 Y C 1.416 177.382 175.900 0.109 0.000 1.245 112 Y CA 0.515 58.690 58.100 0.125 0.000 1.462 112 Y CB 0.555 39.065 38.460 0.083 0.000 1.340 112 Y HN 0.348 nan 8.280 nan 0.000 0.604 113 N N 2.677 121.613 118.700 0.394 0.000 2.519 113 N HA 0.057 4.797 4.740 -0.000 0.000 0.291 113 N C -0.036 175.600 175.510 0.209 0.000 1.107 113 N CA -0.406 52.791 53.050 0.244 0.000 0.904 113 N CB 1.183 39.898 38.487 0.380 0.000 1.500 113 N HN 0.659 nan 8.380 nan 0.000 0.510 114 I N 3.806 124.384 120.570 0.013 0.000 2.530 114 I HA -0.107 4.063 4.170 -0.000 0.000 0.257 114 I C 1.241 177.339 176.117 -0.032 0.000 1.179 114 I CA 1.029 62.316 61.300 -0.021 0.000 1.440 114 I CB -0.330 37.622 38.000 -0.079 0.000 1.087 114 I HN 0.483 nan 8.210 nan 0.000 0.440 115 F N 0.668 120.477 119.950 -0.236 0.000 2.161 115 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 115 F C 2.737 177.919 175.800 -1.031 0.000 1.089 115 F CA 1.268 58.795 58.000 -0.789 0.000 1.282 115 F CB -1.716 36.707 39.000 -0.962 0.000 1.010 115 F HN 0.133 nan 8.300 nan 0.000 0.485 116 S N 0.238 115.880 115.700 -0.096 0.000 2.359 116 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 116 S C 1.542 176.050 174.600 -0.154 0.000 1.035 116 S CA 1.754 60.014 58.200 0.099 0.000 1.018 116 S CB -0.694 62.918 63.200 0.687 0.000 0.876 116 S HN 0.386 nan 8.310 nan 0.000 0.448 117 D N 0.982 121.323 120.400 -0.098 0.000 2.144 117 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 117 D C 2.008 178.130 176.300 -0.297 0.000 0.984 117 D CA 1.066 54.946 54.000 -0.199 0.000 0.834 117 D CB -0.564 40.234 40.800 -0.003 0.000 0.955 117 D HN 0.380 nan 8.370 nan 0.000 0.465 118 C N 0.199 119.285 119.300 -0.357 0.000 2.413 118 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 118 C C 2.484 177.263 174.990 -0.352 0.000 1.228 118 C CA 0.507 59.289 59.018 -0.394 0.000 1.731 118 C CB -1.362 26.030 27.740 -0.581 0.000 2.042 118 C HN 0.336 nan 8.230 nan 0.000 0.468 119 F N 1.469 121.211 119.950 -0.347 0.000 2.186 119 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 119 F C 2.625 178.258 175.800 -0.278 0.000 1.090 119 F CA 0.739 58.518 58.000 -0.368 0.000 1.307 119 F CB -0.625 38.117 39.000 -0.431 0.000 1.019 119 F HN 0.176 nan 8.300 nan 0.000 0.489 120 A N 0.635 123.289 122.820 -0.276 0.000 1.877 120 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 120 A C 2.407 179.966 177.584 -0.042 0.000 1.186 120 A CA 1.756 53.542 52.037 -0.418 0.000 0.620 120 A CB -1.197 16.840 19.000 -1.604 0.000 0.822 120 A HN 0.323 nan 8.150 nan 0.000 0.443 121 A N -0.480 122.293 122.820 -0.079 0.000 1.908 121 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 121 A C 2.279 179.962 177.584 0.164 0.000 1.181 121 A CA 1.930 54.017 52.037 0.083 0.000 0.627 121 A CB -0.584 18.471 19.000 0.092 0.000 0.818 121 A HN 0.550 nan 8.150 nan 0.000 0.445 122 M N -0.576 119.095 119.600 0.119 0.000 2.086 122 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 122 M C 2.566 179.076 176.300 0.351 0.000 1.067 122 M CA 1.591 56.999 55.300 0.181 0.000 1.116 122 M CB -0.480 32.113 32.600 -0.013 0.000 1.348 122 M HN 0.484 nan 8.290 nan 0.000 0.407 123 A N -0.009 122.977 122.820 0.277 0.000 1.873 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 123 A C 1.839 179.514 177.584 0.152 0.000 1.186 123 A CA 1.502 53.693 52.037 0.257 0.000 0.616 123 A CB -0.943 18.119 19.000 0.104 0.000 0.823 123 A HN 0.413 nan 8.150 nan 0.000 0.442 124 F N -0.085 119.973 119.950 0.180 0.000 2.325 124 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 124 F C 2.875 178.806 175.800 0.218 0.000 1.090 124 F CA 1.176 59.296 58.000 0.200 0.000 1.392 124 F CB -0.296 38.804 39.000 0.168 0.000 1.053 124 F HN 0.266 nan 8.300 nan 0.000 0.521 125 S N -0.348 115.584 115.700 0.387 0.000 2.359 125 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 125 S C 2.195 177.048 174.600 0.421 0.000 1.035 125 S CA 1.371 59.833 58.200 0.436 0.000 1.018 125 S CB -0.167 63.254 63.200 0.368 0.000 0.876 125 S HN 0.294 nan 8.310 nan 0.000 0.448 126 Q N -0.527 119.424 119.800 0.252 0.000 2.123 126 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 126 Q C 1.886 177.848 176.000 -0.063 0.000 0.966 126 Q CA 1.373 57.196 55.803 0.033 0.000 0.845 126 Q CB -0.723 27.977 28.738 -0.064 0.000 0.907 126 Q HN 0.822 nan 8.270 nan 0.000 0.439 127 Y N 1.205 121.459 120.300 -0.078 0.000 2.200 127 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 127 Y C 2.177 178.005 175.900 -0.119 0.000 1.137 127 Y CA 1.375 59.399 58.100 -0.127 0.000 1.163 127 Y CB -0.366 37.972 38.460 -0.204 0.000 0.988 127 Y HN 0.082 nan 8.280 nan 0.000 0.518 128 A N 0.165 122.889 122.820 -0.160 0.000 1.902 128 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 128 A C 2.188 179.601 177.584 -0.285 0.000 1.181 128 A CA 1.781 53.735 52.037 -0.139 0.000 0.623 128 A CB -1.265 17.892 19.000 0.263 0.000 0.818 128 A HN 0.528 nan 8.150 nan 0.000 0.443 129 L N -0.177 120.763 121.223 -0.471 0.000 2.012 129 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 129 L C 2.700 179.195 176.870 -0.625 0.000 1.073 129 L CA 2.328 56.536 54.840 -1.054 0.000 0.748 129 L CB -0.894 40.368 42.059 -1.327 0.000 0.891 129 L HN 0.353 nan 8.230 nan 0.000 0.431 130 A N -1.276 121.253 122.820 -0.486 0.000 1.902 130 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 130 A C 2.388 179.755 177.584 -0.361 0.000 1.181 130 A CA 2.188 54.007 52.037 -0.364 0.000 0.623 130 A CB -0.846 17.995 19.000 -0.265 0.000 0.818 130 A HN 0.648 nan 8.150 nan 0.000 0.443 131 S N -2.934 112.448 115.700 -0.529 0.000 2.497 131 S HA 0.401 4.871 4.470 -0.000 0.000 0.218 131 S C 1.463 175.903 174.600 -0.266 0.000 1.023 131 S CA 1.130 59.077 58.200 -0.422 0.000 0.913 131 S CB -0.039 62.737 63.200 -0.706 0.000 0.800 131 S HN 1.934 nan 8.310 nan 0.000 0.505 132 G N 1.355 109.990 108.800 -0.275 0.000 2.143 132 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 132 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 132 G C -0.349 174.504 174.900 -0.080 0.000 0.991 132 G CA 0.186 45.205 45.100 -0.136 0.000 0.689 132 G HN 0.623 nan 8.290 nan 0.000 0.522 133 E N -0.191 119.910 120.200 -0.164 0.000 2.194 133 E HA 0.361 4.711 4.350 -0.000 0.000 0.284 133 E C 1.034 177.536 176.600 -0.164 0.000 1.035 133 E CA -0.209 56.109 56.400 -0.137 0.000 0.836 133 E CB 1.131 30.696 29.700 -0.225 0.000 1.070 133 E HN 0.353 nan 8.360 nan 0.000 0.401 134 E N 5.114 125.321 120.200 0.011 0.000 2.150 134 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 134 E C 1.550 178.197 176.600 0.079 0.000 0.985 134 E CA 1.390 57.825 56.400 0.059 0.000 0.814 134 E CB 0.012 29.777 29.700 0.109 0.000 0.752 134 E HN 0.778 nan 8.360 nan 0.000 0.466 135 W N 0.035 121.426 121.300 0.151 0.000 2.350 135 W HA -0.077 4.583 4.660 -0.000 0.000 0.289 135 W C 1.707 178.357 176.519 0.219 0.000 1.215 135 W CA 1.020 58.456 57.345 0.152 0.000 1.236 135 W CB -0.974 28.571 29.460 0.141 0.000 1.130 135 W HN 0.159 nan 8.180 nan 0.000 0.541 136 A N 1.723 124.185 122.820 -0.597 0.000 1.930 136 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 136 A C 2.250 179.881 177.584 0.077 0.000 1.175 136 A CA 2.029 53.861 52.037 -0.341 0.000 0.627 136 A CB -0.891 17.819 19.000 -0.484 0.000 0.815 136 A HN 0.345 nan 8.150 nan 0.000 0.443 137 K N -0.305 120.115 120.400 0.033 0.000 2.063 137 K HA -0.222 4.097 4.320 -0.000 0.000 0.208 137 K C 1.253 177.890 176.600 0.062 0.000 1.048 137 K CA 1.799 58.131 56.287 0.076 0.000 0.928 137 K CB -0.257 32.272 32.500 0.047 0.000 0.713 137 K HN 0.350 nan 8.250 nan 0.000 0.442 138 D N 0.373 120.823 120.400 0.084 0.000 2.117 138 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 138 D C 1.971 178.321 176.300 0.083 0.000 0.987 138 D CA 1.040 55.090 54.000 0.084 0.000 0.829 138 D CB -0.175 40.696 40.800 0.118 0.000 0.961 138 D HN 0.056 nan 8.370 nan 0.000 0.460 139 V N 1.363 121.334 119.914 0.095 0.000 2.358 139 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 139 V C 2.527 178.643 176.094 0.036 0.000 1.047 139 V CA 1.712 64.016 62.300 0.006 0.000 1.035 139 V CB -0.784 30.895 31.823 -0.240 0.000 0.658 139 V HN 0.176 nan 8.190 nan 0.000 0.452 140 A N -0.050 122.839 122.820 0.115 0.000 1.865 140 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 140 A C 2.232 179.882 177.584 0.109 0.000 1.191 140 A CA 2.246 54.374 52.037 0.151 0.000 0.623 140 A CB -0.503 18.610 19.000 0.190 0.000 0.826 140 A HN 0.418 nan 8.150 nan 0.000 0.444 141 M N -0.596 119.044 119.600 0.067 0.000 2.159 141 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 141 M C 2.316 178.692 176.300 0.126 0.000 1.063 141 M CA 1.928 57.280 55.300 0.086 0.000 1.110 141 M CB -1.459 31.157 32.600 0.026 0.000 1.374 141 M HN 0.725 nan 8.290 nan 0.000 0.411 142 Q N 0.135 119.991 119.800 0.094 0.000 2.084 142 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 142 Q C 2.030 178.093 176.000 0.106 0.000 0.978 142 Q CA 2.015 57.867 55.803 0.082 0.000 0.844 142 Q CB 0.003 28.781 28.738 0.067 0.000 0.898 142 Q HN 0.493 nan 8.270 nan 0.000 0.426 143 A N -0.117 122.792 122.820 0.148 0.000 1.897 143 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 143 A C 1.888 179.524 177.584 0.087 0.000 1.181 143 A CA 1.194 53.313 52.037 0.137 0.000 0.620 143 A CB -1.045 17.993 19.000 0.065 0.000 0.821 143 A HN 0.681 nan 8.150 nan 0.000 0.443 144 Y N 1.394 121.688 120.300 -0.011 0.000 2.097 144 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 144 Y C 2.319 178.204 175.900 -0.025 0.000 1.152 144 Y CA 2.204 60.289 58.100 -0.026 0.000 1.136 144 Y CB -0.194 38.251 38.460 -0.026 0.000 0.975 144 Y HN 0.323 nan 8.280 nan 0.000 0.498 145 N N 0.752 119.429 118.700 -0.039 0.000 2.149 145 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 145 N C 1.280 176.710 175.510 -0.132 0.000 1.019 145 N CA 1.383 54.353 53.050 -0.133 0.000 0.857 145 N CB -0.589 37.886 38.487 -0.020 0.000 0.997 145 N HN 0.491 nan 8.380 nan 0.000 0.426 146 N N 0.868 119.526 118.700 -0.070 0.000 2.069 146 N HA -0.100 4.640 4.740 -0.000 0.000 0.191 146 N C 1.915 177.363 175.510 -0.103 0.000 1.031 146 N CA 0.657 53.668 53.050 -0.066 0.000 0.852 146 N CB -0.626 37.858 38.487 -0.006 0.000 1.018 146 N HN 0.053 nan 8.380 nan 0.000 0.423 147 V N 1.500 121.335 119.914 -0.131 0.000 2.343 147 V HA -0.141 3.978 4.120 -0.000 0.000 0.247 147 V C 2.326 178.315 176.094 -0.175 0.000 1.051 147 V CA 1.151 63.364 62.300 -0.146 0.000 1.036 147 V CB -0.490 31.239 31.823 -0.155 0.000 0.654 147 V HN 0.260 nan 8.190 nan 0.000 0.451 148 L N 0.434 121.500 121.223 -0.261 0.000 2.141 148 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 148 L C 2.656 179.440 176.870 -0.145 0.000 1.094 148 L CA 1.505 56.203 54.840 -0.236 0.000 0.763 148 L CB -0.555 41.300 42.059 -0.338 0.000 0.908 148 L HN 0.457 nan 8.230 nan 0.000 0.437 149 R N -0.472 119.952 120.500 -0.127 0.000 2.297 149 R HA 0.026 4.365 4.340 -0.000 0.000 0.197 149 R C 1.755 178.009 176.300 -0.077 0.000 0.943 149 R CA 0.318 56.364 56.100 -0.089 0.000 1.038 149 R CB -0.002 30.251 30.300 -0.078 0.000 0.957 149 R HN 0.299 nan 8.270 nan 0.000 0.484 150 R N 1.097 121.548 120.500 -0.082 0.000 2.310 150 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 150 R C 1.744 178.008 176.300 -0.060 0.000 0.891 150 R CA 0.397 56.456 56.100 -0.068 0.000 1.060 150 R CB 0.197 30.453 30.300 -0.074 0.000 1.188 150 R HN 0.206 nan 8.270 nan 0.000 0.607 151 K N 0.878 121.238 120.400 -0.066 0.000 2.160 151 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 151 K C 0.102 176.681 176.600 -0.035 0.000 1.047 151 K CA 1.430 57.686 56.287 -0.052 0.000 0.930 151 K CB -0.046 32.423 32.500 -0.051 0.000 0.720 151 K HN -0.022 nan 8.250 nan 0.000 0.450 167 P HA 0.217 nan 4.420 nan 0.000 0.271 167 P C -0.400 176.917 177.300 0.028 0.000 1.216 167 P CA -0.140 62.972 63.100 0.020 0.000 0.771 167 P CB 0.928 32.635 31.700 0.012 0.000 0.864 168 M N 0.859 120.485 119.600 0.044 0.000 2.569 168 M HA 0.617 5.097 4.480 -0.000 0.000 0.279 168 M C -1.713 174.644 176.300 0.095 0.000 1.253 168 M CA -0.916 54.421 55.300 0.063 0.000 0.867 168 M CB 3.362 36.008 32.600 0.077 0.000 1.727 168 M HN 0.326 nan 8.290 nan 0.000 0.467 169 K N 1.445 121.930 120.400 0.142 0.000 2.375 169 K HA 0.918 5.238 4.320 -0.000 0.000 0.249 169 K C -1.451 175.388 176.600 0.399 0.000 0.942 169 K CA -0.818 55.610 56.287 0.235 0.000 0.806 169 K CB 2.497 35.148 32.500 0.251 0.000 1.227 169 K HN 0.816 nan 8.250 nan 0.000 0.430 170 A N 3.052 126.068 122.820 0.327 0.000 2.312 170 A HA 0.286 4.606 4.320 -0.000 0.000 0.326 170 A C 0.777 178.343 177.584 -0.031 0.000 1.172 170 A CA -1.045 51.146 52.037 0.256 0.000 0.821 170 A CB 0.713 19.827 19.000 0.190 0.000 1.166 170 A HN 0.950 nan 8.150 nan 0.000 0.493 171 L N 2.038 123.072 121.223 -0.315 0.000 2.079 171 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 171 L C 2.581 179.216 176.870 -0.391 0.000 1.081 171 L CA 2.072 56.367 54.840 -0.908 0.000 0.752 171 L CB -0.415 41.313 42.059 -0.552 0.000 0.896 171 L HN 0.891 nan 8.230 nan 0.000 0.433 172 A N -0.662 122.165 122.820 0.010 0.000 2.032 172 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 172 A C 2.179 179.724 177.584 -0.064 0.000 1.165 172 A CA 1.954 54.025 52.037 0.057 0.000 0.645 172 A CB -0.749 18.337 19.000 0.144 0.000 0.807 172 A HN 0.365 nan 8.150 nan 0.000 0.453 173 V N 0.846 120.755 119.914 -0.007 0.000 2.244 173 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 173 V C -0.007 176.049 176.094 -0.065 0.000 1.042 173 V CA 2.244 64.569 62.300 0.041 0.000 1.006 173 V CB -1.607 30.272 31.823 0.093 0.000 0.641 173 V HN 0.438 nan 8.190 nan 0.000 0.446 174 P HA -0.164 nan 4.420 nan 0.000 0.218 174 P C 1.881 179.053 177.300 -0.213 0.000 1.149 174 P CA 1.677 64.707 63.100 -0.117 0.000 0.817 174 P CB -0.110 31.537 31.700 -0.087 0.000 0.785 175 M N -1.053 118.356 119.600 -0.318 0.000 2.065 175 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 175 M C 2.412 178.424 176.300 -0.481 0.000 1.069 175 M CA 1.818 56.827 55.300 -0.485 0.000 1.110 175 M CB -0.804 31.509 32.600 -0.478 0.000 1.328 175 M HN -0.135 nan 8.290 nan 0.000 0.405 176 I N 0.340 120.693 120.570 -0.362 0.000 2.315 176 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 176 I C 2.287 178.264 176.117 -0.233 0.000 1.117 176 I CA 0.927 62.018 61.300 -0.349 0.000 1.404 176 I CB 0.046 37.753 38.000 -0.488 0.000 1.071 176 I HN 0.225 nan 8.210 nan 0.000 0.419 177 L N 1.215 122.342 121.223 -0.160 0.000 2.042 177 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 177 L C 2.490 179.337 176.870 -0.038 0.000 1.076 177 L CA 2.307 57.104 54.840 -0.072 0.000 0.749 177 L CB -0.816 41.220 42.059 -0.037 0.000 0.893 177 L HN 0.238 nan 8.230 nan 0.000 0.432 178 A N -0.526 122.244 122.820 -0.083 0.000 1.873 178 A HA -0.230 4.090 4.320 -0.000 0.000 0.215 178 A C 2.111 179.749 177.584 0.089 0.000 1.186 178 A CA 1.935 53.994 52.037 0.037 0.000 0.616 178 A CB -1.008 18.042 19.000 0.083 0.000 0.823 178 A HN 0.629 nan 8.150 nan 0.000 0.442 179 N N -0.136 118.465 118.700 -0.164 0.000 2.061 179 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 179 N C 1.713 177.238 175.510 0.025 0.000 1.030 179 N CA 1.424 54.441 53.050 -0.056 0.000 0.856 179 N CB -0.278 38.058 38.487 -0.251 0.000 1.023 179 N HN 0.477 nan 8.380 nan 0.000 0.424 180 L N 0.566 121.779 121.223 -0.016 0.000 1.990 180 L HA -0.243 4.096 4.340 -0.000 0.000 0.213 180 L C 1.776 178.708 176.870 0.103 0.000 1.072 180 L CA 1.566 56.431 54.840 0.043 0.000 0.755 180 L CB -0.687 41.403 42.059 0.050 0.000 0.889 180 L HN 0.330 nan 8.230 nan 0.000 0.432 181 T N 0.092 114.719 114.554 0.122 0.000 2.746 181 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 181 T C 1.735 176.489 174.700 0.089 0.000 1.039 181 T CA 1.331 63.497 62.100 0.110 0.000 1.142 181 T CB -0.295 68.651 68.868 0.129 0.000 0.866 181 T HN 0.143 nan 8.240 nan 0.000 0.444 182 L N 1.411 122.720 121.223 0.143 0.000 2.046 182 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 182 L C 2.338 179.316 176.870 0.180 0.000 1.077 182 L CA 1.739 56.676 54.840 0.162 0.000 0.747 182 L CB -0.631 41.565 42.059 0.229 0.000 0.896 182 L HN 0.066 nan 8.230 nan 0.000 0.432 183 E N -1.026 119.294 120.200 0.200 0.000 2.268 183 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 183 E C 1.868 178.611 176.600 0.238 0.000 0.995 183 E CA 0.718 57.276 56.400 0.264 0.000 0.836 183 E CB -0.210 29.662 29.700 0.287 0.000 0.763 183 E HN 0.438 nan 8.360 nan 0.000 0.491 184 M N 0.223 119.890 119.600 0.111 0.000 2.563 184 M HA 0.029 4.509 4.480 -0.000 0.000 0.231 184 M C 1.756 178.019 176.300 -0.063 0.000 1.136 184 M CA 0.320 55.597 55.300 -0.038 0.000 1.026 184 M CB -0.222 32.206 32.600 -0.286 0.000 1.597 184 M HN 0.134 nan 8.290 nan 0.000 0.495 185 E N 1.253 121.513 120.200 0.099 0.000 2.058 185 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 185 E C 1.848 178.496 176.600 0.081 0.000 0.997 185 E CA 1.837 58.285 56.400 0.080 0.000 0.801 185 E CB -0.179 29.598 29.700 0.128 0.000 0.746 185 E HN 0.677 nan 8.360 nan 0.000 0.450 186 W N 0.632 121.911 121.300 -0.034 0.000 2.611 186 W HA -0.053 4.607 4.660 -0.000 0.000 0.251 186 W C 0.882 177.372 176.519 -0.049 0.000 1.265 186 W CA 0.266 57.589 57.345 -0.036 0.000 1.295 186 W CB -0.497 28.943 29.460 -0.033 0.000 1.129 186 W HN 0.105 nan 8.180 nan 0.000 0.630 187 L N 0.384 121.211 121.223 -0.660 0.000 2.616 187 L HA 0.279 4.619 4.340 -0.000 0.000 0.229 187 L C 0.729 177.361 176.870 -0.397 0.000 1.110 187 L CA 0.095 54.487 54.840 -0.747 0.000 0.884 187 L CB -0.080 41.431 42.059 -0.914 0.000 1.115 187 L HN -0.200 nan 8.230 nan 0.000 0.481 188 L N -0.664 120.397 121.223 -0.269 0.000 2.303 188 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 188 L C -2.249 174.564 176.870 -0.095 0.000 1.011 188 L CA -2.073 52.654 54.840 -0.187 0.000 0.818 188 L CB 1.109 43.052 42.059 -0.194 0.000 1.326 188 L HN -0.232 nan 8.230 nan 0.000 0.435 189 P HA 0.104 nan 4.420 nan 0.000 0.268 189 P C -0.044 177.249 177.300 -0.011 0.000 1.205 189 P CA -0.257 62.827 63.100 -0.026 0.000 0.771 189 P CB 0.565 32.257 31.700 -0.012 0.000 0.858 190 Q N 1.185 120.983 119.800 -0.002 0.000 2.173 190 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 190 Q C 1.849 177.855 176.000 0.010 0.000 0.989 190 Q CA 1.944 57.752 55.803 0.007 0.000 0.872 190 Q CB -0.155 28.588 28.738 0.009 0.000 0.909 190 Q HN 0.671 nan 8.270 nan 0.000 0.420 191 E N -0.004 120.202 120.200 0.010 0.000 2.150 191 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 191 E C 1.612 178.225 176.600 0.021 0.000 0.985 191 E CA 1.447 57.855 56.400 0.014 0.000 0.814 191 E CB 0.098 29.805 29.700 0.012 0.000 0.752 191 E HN 0.194 nan 8.360 nan 0.000 0.466 192 T N 1.495 116.063 114.554 0.023 0.000 2.708 192 T HA -0.166 4.183 4.350 -0.000 0.000 0.266 192 T C 1.718 176.445 174.700 0.044 0.000 1.037 192 T CA 1.242 63.365 62.100 0.038 0.000 1.146 192 T CB -0.319 68.575 68.868 0.043 0.000 0.865 192 T HN 0.115 nan 8.240 nan 0.000 0.435 193 L N 1.531 122.774 121.223 0.034 0.000 2.012 193 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 193 L C 2.399 179.295 176.870 0.042 0.000 1.073 193 L CA 1.831 56.696 54.840 0.042 0.000 0.748 193 L CB -0.769 41.310 42.059 0.035 0.000 0.891 193 L HN 0.089 nan 8.230 nan 0.000 0.431 194 E N -0.055 120.163 120.200 0.031 0.000 2.038 194 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 194 E C 2.036 178.654 176.600 0.031 0.000 1.000 194 E CA 1.395 57.811 56.400 0.026 0.000 0.803 194 E CB -0.707 29.005 29.700 0.019 0.000 0.750 194 E HN 0.540 nan 8.360 nan 0.000 0.448 195 N N 0.480 119.199 118.700 0.032 0.000 2.061 195 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 195 N C 2.048 177.584 175.510 0.042 0.000 1.030 195 N CA 1.103 54.173 53.050 0.033 0.000 0.856 195 N CB -0.570 37.936 38.487 0.031 0.000 1.023 195 N HN 0.018 nan 8.380 nan 0.000 0.424 196 V N 1.581 121.527 119.914 0.052 0.000 2.307 196 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 196 V C 2.382 178.519 176.094 0.072 0.000 1.045 196 V CA 1.078 63.416 62.300 0.063 0.000 1.024 196 V CB -0.482 31.388 31.823 0.077 0.000 0.651 196 V HN 0.226 nan 8.190 nan 0.000 0.449 197 L N 0.102 121.369 121.223 0.074 0.000 2.093 197 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 197 L C 2.727 179.634 176.870 0.062 0.000 1.085 197 L CA 1.526 56.415 54.840 0.081 0.000 0.755 197 L CB -0.843 41.250 42.059 0.056 0.000 0.904 197 L HN 0.366 nan 8.230 nan 0.000 0.435 198 A N 0.170 123.017 122.820 0.045 0.000 1.930 198 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 198 A C 2.546 180.156 177.584 0.043 0.000 1.175 198 A CA 1.563 53.622 52.037 0.038 0.000 0.627 198 A CB -0.585 18.432 19.000 0.028 0.000 0.815 198 A HN 0.383 nan 8.150 nan 0.000 0.443 199 A N -0.869 121.979 122.820 0.046 0.000 1.933 199 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 199 A C 2.279 179.900 177.584 0.060 0.000 1.175 199 A CA 2.247 54.313 52.037 0.048 0.000 0.628 199 A CB -1.212 17.814 19.000 0.045 0.000 0.814 199 A HN 0.429 nan 8.150 nan 0.000 0.444 200 T N -0.304 114.291 114.554 0.068 0.000 2.746 200 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 200 T C 1.882 176.630 174.700 0.081 0.000 1.039 200 T CA 1.589 63.734 62.100 0.076 0.000 1.142 200 T CB -0.436 68.494 68.868 0.105 0.000 0.866 200 T HN 0.165 nan 8.240 nan 0.000 0.444 201 V N 1.694 121.653 119.914 0.076 0.000 2.295 201 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 201 V C 2.780 178.913 176.094 0.064 0.000 1.049 201 V CA 1.580 63.920 62.300 0.066 0.000 1.024 201 V CB -0.657 31.195 31.823 0.049 0.000 0.648 201 V HN 0.389 nan 8.190 nan 0.000 0.447 202 Q N 0.432 120.266 119.800 0.057 0.000 2.030 202 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 202 Q C 2.304 178.345 176.000 0.069 0.000 0.986 202 Q CA 2.537 58.370 55.803 0.050 0.000 0.843 202 Q CB -0.272 28.490 28.738 0.040 0.000 0.904 202 Q HN 0.791 nan 8.270 nan 0.000 0.420 203 E N -0.923 119.334 120.200 0.095 0.000 2.047 203 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 203 E C 2.121 178.877 176.600 0.260 0.000 0.987 203 E CA 1.217 57.708 56.400 0.152 0.000 0.799 203 E CB 0.165 29.975 29.700 0.183 0.000 0.752 203 E HN 0.204 nan 8.360 nan 0.000 0.449 204 V N 1.103 121.143 119.914 0.209 0.000 2.295 204 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 204 V C 2.334 178.539 176.094 0.185 0.000 1.049 204 V CA 1.485 63.913 62.300 0.213 0.000 1.024 204 V CB -0.296 31.560 31.823 0.054 0.000 0.648 204 V HN 0.426 nan 8.190 nan 0.000 0.447 205 M N -0.068 119.600 119.600 0.114 0.000 2.506 205 M HA 0.115 4.595 4.480 -0.000 0.000 0.260 205 M C 1.964 178.301 176.300 0.062 0.000 1.104 205 M CA 1.372 56.721 55.300 0.082 0.000 1.112 205 M CB -1.256 31.378 32.600 0.057 0.000 1.401 205 M HN 0.416 nan 8.290 nan 0.000 0.473 206 G N -0.281 108.554 108.800 0.059 0.000 2.645 206 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.207 206 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.207 206 G C 1.090 175.973 174.900 -0.028 0.000 1.145 206 G CA 0.071 45.179 45.100 0.013 0.000 0.831 206 G HN 0.288 nan 8.290 nan 0.000 0.563 207 D N 0.207 120.584 120.400 -0.037 0.000 2.269 207 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 207 D C 1.973 178.111 176.300 -0.270 0.000 0.962 207 D CA 0.344 54.216 54.000 -0.214 0.000 0.884 207 D CB -0.162 40.417 40.800 -0.369 0.000 1.023 207 D HN 0.287 nan 8.370 nan 0.000 0.484 208 F N 0.787 120.757 119.950 0.033 0.000 2.416 208 F HA 0.141 4.668 4.527 -0.000 0.000 0.296 208 F C 1.264 177.121 175.800 0.095 0.000 1.099 208 F CA 0.081 58.125 58.000 0.072 0.000 1.427 208 F CB 0.269 39.304 39.000 0.058 0.000 1.079 208 F HN -0.115 nan 8.300 nan 0.000 0.536 209 L N 1.752 123.092 121.223 0.195 0.000 2.319 209 L HA 0.118 4.458 4.340 -0.000 0.000 0.280 209 L C -0.463 176.458 176.870 0.084 0.000 1.099 209 L CA -0.371 54.553 54.840 0.141 0.000 0.828 209 L CB 0.501 42.615 42.059 0.091 0.000 1.150 209 L HN 0.006 nan 8.230 nan 0.000 0.442 210 D N 3.721 124.192 120.400 0.119 0.000 2.347 210 D HA 0.056 4.696 4.640 -0.000 0.000 0.235 210 D C 0.785 177.106 176.300 0.036 0.000 1.149 210 D CA -0.328 53.707 54.000 0.060 0.000 0.850 210 D CB 1.175 42.068 40.800 0.155 0.000 1.061 210 D HN 0.409 nan 8.370 nan 0.000 0.487 211 Q N 2.476 122.265 119.800 -0.018 0.000 2.291 211 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 211 Q C 1.143 177.141 176.000 -0.004 0.000 0.976 211 Q CA 0.918 56.713 55.803 -0.014 0.000 0.875 211 Q CB 0.057 28.773 28.738 -0.037 0.000 0.927 211 Q HN 0.681 nan 8.270 nan 0.000 0.450 212 E N 1.035 121.235 120.200 -0.000 0.000 2.028 212 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 212 E C 1.329 177.945 176.600 0.027 0.000 0.984 212 E CA 1.373 57.781 56.400 0.013 0.000 0.800 212 E CB 0.085 29.798 29.700 0.021 0.000 0.758 212 E HN 0.284 nan 8.360 nan 0.000 0.448 213 Q N -1.374 118.450 119.800 0.040 0.000 2.282 213 Q HA 0.227 4.567 4.340 -0.000 0.000 0.206 213 Q C 0.298 176.291 176.000 -0.013 0.000 0.878 213 Q CA 0.327 56.130 55.803 -0.000 0.000 0.944 213 Q CB 0.920 29.622 28.738 -0.060 0.000 1.100 213 Q HN 0.462 nan 8.270 nan 0.000 0.509 214 G N 1.484 110.295 108.800 0.018 0.000 2.249 214 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.273 214 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.273 214 G C -0.184 174.723 174.900 0.011 0.000 1.036 214 G CA 0.321 45.433 45.100 0.021 0.000 0.824 214 G HN 0.237 nan 8.290 nan 0.000 0.504 215 L N -0.565 120.673 121.223 0.025 0.000 2.319 215 L HA 0.676 5.016 4.340 -0.000 0.000 0.267 215 L C 0.560 177.509 176.870 0.131 0.000 1.011 215 L CA -1.420 53.421 54.840 0.001 0.000 0.818 215 L CB 1.518 43.477 42.059 -0.168 0.000 1.316 215 L HN -0.024 nan 8.230 nan 0.000 0.432 216 M N 1.470 121.127 119.600 0.095 0.000 2.120 216 M HA 0.304 4.784 4.480 -0.000 0.000 0.354 216 M C -0.835 175.586 176.300 0.202 0.000 1.287 216 M CA -0.360 55.043 55.300 0.171 0.000 1.103 216 M CB 0.409 33.059 32.600 0.084 0.000 1.623 216 M HN 0.227 nan 8.290 nan 0.000 0.471 217 Y N 2.096 122.469 120.300 0.121 0.000 2.299 217 Y HA 0.131 4.681 4.550 -0.000 0.000 0.326 217 Y C 1.609 177.661 175.900 0.253 0.000 1.164 217 Y CA 0.013 58.192 58.100 0.132 0.000 1.234 217 Y CB 0.766 39.266 38.460 0.067 0.000 1.219 217 Y HN 0.610 nan 8.280 nan 0.000 0.497 218 E N 1.259 121.631 120.200 0.286 0.000 2.152 218 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 218 E C -0.383 176.455 176.600 0.396 0.000 0.983 218 E CA 1.011 57.592 56.400 0.302 0.000 0.818 218 E CB 0.116 29.965 29.700 0.249 0.000 0.758 218 E HN 0.578 nan 8.360 nan 0.000 0.467 219 N N -0.028 118.916 118.700 0.406 0.000 2.397 219 N HA 0.234 4.974 4.740 -0.000 0.000 0.291 219 N C -0.666 175.008 175.510 0.274 0.000 1.065 219 N CA -0.209 53.059 53.050 0.363 0.000 0.884 219 N CB 2.929 41.556 38.487 0.232 0.000 1.551 219 N HN -0.130 nan 8.380 nan 0.000 0.487 220 V N -1.367 118.639 119.914 0.154 0.000 3.141 220 V HA 0.942 5.061 4.120 -0.000 0.000 0.312 220 V C 0.119 176.194 176.094 -0.032 0.000 1.157 220 V CA -1.016 61.277 62.300 -0.012 0.000 1.041 220 V CB 1.282 32.960 31.823 -0.241 0.000 1.071 220 V HN 0.664 nan 8.190 nan 0.000 0.441 221 A N 1.256 124.048 122.820 -0.046 0.000 2.406 221 A HA 0.608 4.928 4.320 -0.000 0.000 0.243 221 A C -1.294 176.239 177.584 -0.086 0.000 1.082 221 A CA -0.669 51.341 52.037 -0.045 0.000 0.786 221 A CB -0.444 18.532 19.000 -0.041 0.000 1.029 221 A HN 0.842 nan 8.150 nan 0.000 0.495 222 P HA -0.206 nan 4.420 nan 0.000 0.217 222 P C 0.612 177.865 177.300 -0.079 0.000 1.151 222 P CA 1.838 64.909 63.100 -0.049 0.000 0.849 222 P CB -0.021 31.667 31.700 -0.020 0.000 0.787 223 D N -1.889 118.462 120.400 -0.081 0.000 2.352 223 D HA 0.045 4.685 4.640 -0.000 0.000 0.232 223 D C 1.384 177.603 176.300 -0.136 0.000 1.055 223 D CA 0.661 54.606 54.000 -0.092 0.000 0.891 223 D CB -1.089 39.666 40.800 -0.074 0.000 0.897 223 D HN 0.262 nan 8.370 nan 0.000 0.529 224 G N 0.263 108.951 108.800 -0.187 0.000 2.179 224 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 224 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 224 G C 0.433 175.189 174.900 -0.240 0.000 0.977 224 G CA 0.569 45.515 45.100 -0.256 0.000 0.641 224 G HN 0.840 nan 8.290 nan 0.000 0.533 225 S N 0.370 115.958 115.700 -0.186 0.000 2.603 225 S HA 0.574 5.044 4.470 -0.000 0.000 0.268 225 S C 0.328 174.873 174.600 -0.092 0.000 1.317 225 S CA -0.593 57.485 58.200 -0.203 0.000 1.012 225 S CB 1.055 64.168 63.200 -0.144 0.000 0.926 225 S HN 0.366 nan 8.310 nan 0.000 0.539 226 H N 0.468 119.434 119.070 -0.174 0.000 2.615 226 H HA 0.506 5.062 4.556 -0.000 0.000 0.363 226 H C -0.191 175.100 175.328 -0.061 0.000 1.148 226 H CA -0.806 55.153 56.048 -0.149 0.000 1.401 226 H CB 0.293 29.943 29.762 -0.186 0.000 1.461 226 H HN 0.547 nan 8.280 nan 0.000 0.588 227 I N 1.491 122.127 120.570 0.108 0.000 2.465 227 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 227 I C -0.023 176.129 176.117 0.059 0.000 1.014 227 I CA -0.848 60.490 61.300 0.064 0.000 1.093 227 I CB 1.810 39.843 38.000 0.054 0.000 1.267 227 I HN 0.400 nan 8.210 nan 0.000 0.431 228 D N 7.153 127.574 120.400 0.036 0.000 2.468 228 D HA 0.385 5.025 4.640 -0.000 0.000 0.218 228 D C -0.757 175.529 176.300 -0.022 0.000 1.155 228 D CA -0.067 53.944 54.000 0.019 0.000 0.924 228 D CB 0.397 41.208 40.800 0.018 0.000 1.029 228 D HN 0.689 nan 8.370 nan 0.000 0.515 229 C N 0.523 119.807 119.300 -0.026 0.000 3.320 229 C HA 0.471 4.930 4.460 -0.000 0.000 0.335 229 C C 1.634 176.592 174.990 -0.054 0.000 1.430 229 C CA -1.003 57.973 59.018 -0.071 0.000 1.271 229 C CB 0.090 27.834 27.740 0.007 0.000 1.609 229 C HN 0.384 nan 8.230 nan 0.000 0.457 230 F N 1.173 121.124 119.950 0.002 0.000 2.065 230 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 230 F C 2.439 178.228 175.800 -0.018 0.000 1.112 230 F CA 2.675 60.664 58.000 -0.019 0.000 1.212 230 F CB -0.220 38.754 39.000 -0.043 0.000 0.975 230 F HN 0.739 nan 8.300 nan 0.000 0.476 231 E N -0.115 120.202 120.200 0.195 0.000 2.051 231 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 231 E C 2.417 179.090 176.600 0.122 0.000 0.991 231 E CA 1.270 57.745 56.400 0.125 0.000 0.799 231 E CB -0.849 28.917 29.700 0.109 0.000 0.748 231 E HN 0.392 nan 8.360 nan 0.000 0.449 232 G N 0.000 108.869 108.800 0.113 0.000 2.598 232 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 232 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 232 G C 1.293 176.274 174.900 0.134 0.000 1.131 232 G CA 0.088 45.266 45.100 0.130 0.000 0.785 232 G HN 0.076 nan 8.290 nan 0.000 0.539 233 R N -0.697 119.843 120.500 0.067 0.000 2.334 233 R HA 0.277 4.617 4.340 -0.000 0.000 0.216 233 R C 0.916 177.150 176.300 -0.110 0.000 0.905 233 R CA -0.069 56.031 56.100 -0.001 0.000 1.064 233 R CB -0.019 30.280 30.300 -0.002 0.000 1.046 233 R HN 0.330 nan 8.270 nan 0.000 0.508 234 L N 1.559 122.754 121.223 -0.046 0.000 2.331 234 L HA 0.360 4.700 4.340 -0.000 0.000 0.278 234 L C 0.185 177.004 176.870 -0.085 0.000 1.106 234 L CA -0.138 54.691 54.840 -0.018 0.000 0.824 234 L CB 0.078 42.167 42.059 0.050 0.000 1.142 234 L HN -0.021 nan 8.230 nan 0.000 0.443 235 I N 3.036 123.593 120.570 -0.023 0.000 2.404 235 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 235 I C -0.147 176.086 176.117 0.194 0.000 0.992 235 I CA -0.802 60.507 61.300 0.014 0.000 1.149 235 I CB 1.528 39.541 38.000 0.021 0.000 1.315 235 I HN 0.791 nan 8.210 nan 0.000 0.446 236 N N 8.598 127.413 118.700 0.192 0.000 2.706 236 N HA 0.341 5.081 4.740 -0.000 0.000 0.240 236 N C -2.115 173.462 175.510 0.112 0.000 1.039 236 N CA -2.084 51.053 53.050 0.146 0.000 0.888 236 N CB 1.905 40.535 38.487 0.239 0.000 1.128 236 N HN 0.132 nan 8.380 nan 0.000 0.512 237 P HA -0.112 nan 4.420 nan 0.000 0.215 237 P C 1.239 178.533 177.300 -0.010 0.000 1.163 237 P CA 1.551 64.677 63.100 0.043 0.000 0.894 237 P CB 0.116 31.839 31.700 0.039 0.000 0.791 238 G N -1.703 107.026 108.800 -0.119 0.000 2.422 238 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 238 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 238 G C 1.588 176.624 174.900 0.225 0.000 1.140 238 G CA 0.887 45.891 45.100 -0.160 0.000 0.775 238 G HN 0.313 nan 8.290 nan 0.000 0.545 239 H N 0.944 120.161 119.070 0.245 0.000 2.357 239 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 239 H C 2.698 178.075 175.328 0.081 0.000 1.082 239 H CA 1.683 57.889 56.048 0.264 0.000 1.342 239 H CB -0.645 29.263 29.762 0.245 0.000 1.389 239 H HN 0.206 nan 8.280 nan 0.000 0.511 240 G N 0.402 109.217 108.800 0.025 0.000 2.418 240 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 240 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 240 G C 1.896 176.772 174.900 -0.040 0.000 1.158 240 G CA 0.981 46.047 45.100 -0.056 0.000 0.771 240 G HN 0.460 nan 8.290 nan 0.000 0.545 241 I N 0.319 120.899 120.570 0.016 0.000 2.226 241 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 241 I C 2.658 178.815 176.117 0.067 0.000 1.100 241 I CA 1.372 62.702 61.300 0.050 0.000 1.374 241 I CB -0.194 37.837 38.000 0.052 0.000 1.057 241 I HN 0.305 nan 8.210 nan 0.000 0.413 242 E N 1.309 121.532 120.200 0.039 0.000 2.058 242 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 242 E C 2.292 178.577 176.600 -0.525 0.000 0.997 242 E CA 1.476 57.766 56.400 -0.183 0.000 0.801 242 E CB -0.066 29.648 29.700 0.023 0.000 0.746 242 E HN 0.477 nan 8.360 nan 0.000 0.450 243 A N 0.875 123.484 122.820 -0.351 0.000 1.940 243 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 243 A C 2.148 179.633 177.584 -0.165 0.000 1.176 243 A CA 1.784 53.629 52.037 -0.321 0.000 0.631 243 A CB -0.430 18.374 19.000 -0.326 0.000 0.814 243 A HN 0.296 nan 8.150 nan 0.000 0.446 244 M N -0.453 119.093 119.600 -0.090 0.000 2.132 244 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 244 M C 2.279 178.637 176.300 0.096 0.000 1.065 244 M CA 1.052 56.363 55.300 0.018 0.000 1.122 244 M CB -1.533 31.098 32.600 0.052 0.000 1.365 244 M HN 0.944 nan 8.290 nan 0.000 0.411 245 W N -0.667 120.678 121.300 0.074 0.000 2.402 245 W HA -0.209 4.451 4.660 -0.000 0.000 0.286 245 W C 1.960 178.518 176.519 0.065 0.000 1.221 245 W CA 0.348 57.728 57.345 0.058 0.000 1.257 245 W CB -1.534 27.957 29.460 0.051 0.000 1.120 245 W HN 0.089 nan 8.180 nan 0.000 0.551 246 F N 2.250 121.975 119.950 -0.375 0.000 2.102 246 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 246 F C 2.473 178.224 175.800 -0.081 0.000 1.105 246 F CA 2.165 59.968 58.000 -0.328 0.000 1.239 246 F CB -0.556 38.118 39.000 -0.542 0.000 0.991 246 F HN -0.313 nan 8.300 nan 0.000 0.474 247 I N 0.168 120.786 120.570 0.080 0.000 2.163 247 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 247 I C 2.400 178.520 176.117 0.004 0.000 1.085 247 I CA 1.646 62.972 61.300 0.044 0.000 1.347 247 I CB -1.327 36.709 38.000 0.059 0.000 1.044 247 I HN 0.295 nan 8.210 nan 0.000 0.408 248 M N 0.121 119.752 119.600 0.051 0.000 2.082 248 M HA -0.280 4.199 4.480 -0.000 0.000 0.258 248 M C 1.954 178.257 176.300 0.005 0.000 1.069 248 M CA 2.207 57.538 55.300 0.051 0.000 1.102 248 M CB -0.622 32.041 32.600 0.105 0.000 1.336 248 M HN 0.159 nan 8.290 nan 0.000 0.404 249 D N 0.429 120.822 120.400 -0.013 0.000 2.144 249 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 249 D C 1.728 177.938 176.300 -0.150 0.000 0.978 249 D CA 1.066 55.022 54.000 -0.072 0.000 0.833 249 D CB 0.046 40.818 40.800 -0.048 0.000 0.961 249 D HN 0.300 nan 8.370 nan 0.000 0.470 250 I N 0.439 120.877 120.570 -0.221 0.000 2.142 250 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 250 I C 2.478 178.553 176.117 -0.071 0.000 1.078 250 I CA 1.137 62.342 61.300 -0.158 0.000 1.343 250 I CB -0.390 37.532 38.000 -0.131 0.000 1.046 250 I HN 0.034 nan 8.210 nan 0.000 0.405 251 A N 1.542 124.334 122.820 -0.047 0.000 1.940 251 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 251 A C 2.269 179.837 177.584 -0.025 0.000 1.176 251 A CA 2.264 54.288 52.037 -0.022 0.000 0.631 251 A CB -0.683 18.314 19.000 -0.006 0.000 0.814 251 A HN 0.538 nan 8.150 nan 0.000 0.446 252 R N 0.005 120.485 120.500 -0.034 0.000 2.152 252 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 252 R C 1.910 178.189 176.300 -0.036 0.000 1.117 252 R CA 1.654 57.734 56.100 -0.035 0.000 0.981 252 R CB -0.617 29.659 30.300 -0.040 0.000 0.870 252 R HN 0.488 nan 8.270 nan 0.000 0.451 253 R N 0.501 120.978 120.500 -0.039 0.000 2.117 253 R HA -0.065 4.275 4.340 -0.000 0.000 0.243 253 R C 1.327 177.614 176.300 -0.022 0.000 1.143 253 R CA 1.979 58.060 56.100 -0.032 0.000 0.968 253 R CB -0.164 30.116 30.300 -0.033 0.000 0.863 253 R HN 0.256 nan 8.270 nan 0.000 0.444 254 K N 0.021 120.410 120.400 -0.019 0.000 2.455 254 K HA 0.136 4.456 4.320 -0.000 0.000 0.206 254 K C -0.405 176.187 176.600 -0.013 0.000 1.027 254 K CA -0.165 56.114 56.287 -0.013 0.000 1.113 254 K CB 0.656 33.151 32.500 -0.008 0.000 0.850 254 K HN 0.137 nan 8.250 nan 0.000 0.503 255 N N 2.334 121.024 118.700 -0.018 0.000 2.735 255 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 255 N C -0.739 174.764 175.510 -0.012 0.000 1.083 255 N CA 1.003 54.043 53.050 -0.017 0.000 0.703 255 N CB -0.977 37.500 38.487 -0.018 0.000 1.005 255 N HN 0.368 nan 8.380 nan 0.000 0.550 256 D N 0.083 120.478 120.400 -0.009 0.000 2.508 256 D HA 0.274 4.914 4.640 -0.000 0.000 0.224 256 D C 0.829 177.129 176.300 0.000 0.000 1.171 256 D CA -0.084 53.915 54.000 -0.003 0.000 1.006 256 D CB 0.246 41.045 40.800 -0.000 0.000 1.073 256 D HN 0.061 nan 8.370 nan 0.000 0.513 257 S N 2.793 118.493 115.700 -0.000 0.000 2.399 257 S HA -0.165 4.304 4.470 -0.000 0.000 0.231 257 S C 1.690 176.296 174.600 0.011 0.000 1.022 257 S CA 0.823 59.025 58.200 0.003 0.000 0.983 257 S CB 0.042 63.242 63.200 0.000 0.000 0.803 257 S HN 0.583 nan 8.310 nan 0.000 0.480 258 K N 0.898 121.305 120.400 0.011 0.000 2.009 258 K HA -0.139 4.180 4.320 -0.000 0.000 0.210 258 K C 2.009 178.621 176.600 0.019 0.000 1.049 258 K CA 1.905 58.200 56.287 0.015 0.000 0.929 258 K CB -0.438 32.069 32.500 0.012 0.000 0.714 258 K HN 0.234 nan 8.250 nan 0.000 0.440 259 T N 1.359 115.923 114.554 0.018 0.000 2.737 259 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 259 T C 1.858 176.574 174.700 0.027 0.000 1.038 259 T CA 1.525 63.639 62.100 0.022 0.000 1.144 259 T CB -0.197 68.682 68.868 0.019 0.000 0.866 259 T HN 0.191 nan 8.240 nan 0.000 0.434 260 I N 1.756 122.340 120.570 0.022 0.000 2.151 260 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 260 I C 2.519 178.659 176.117 0.039 0.000 1.080 260 I CA 1.189 62.507 61.300 0.029 0.000 1.339 260 I CB -0.417 37.593 38.000 0.017 0.000 1.039 260 I HN 0.248 nan 8.210 nan 0.000 0.409 261 N N 0.299 119.020 118.700 0.035 0.000 2.188 261 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 261 N C 1.853 177.391 175.510 0.046 0.000 1.018 261 N CA 1.137 54.213 53.050 0.043 0.000 0.858 261 N CB -0.235 38.274 38.487 0.038 0.000 0.989 261 N HN 0.522 nan 8.380 nan 0.000 0.426 262 Q N 0.861 120.685 119.800 0.039 0.000 2.050 262 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 262 Q C 1.940 177.966 176.000 0.044 0.000 0.980 262 Q CA 1.524 57.351 55.803 0.039 0.000 0.840 262 Q CB -0.032 28.727 28.738 0.034 0.000 0.898 262 Q HN 0.308 nan 8.270 nan 0.000 0.424 263 A N 0.062 122.910 122.820 0.048 0.000 1.902 263 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 263 A C 2.229 179.850 177.584 0.062 0.000 1.181 263 A CA 1.558 53.628 52.037 0.054 0.000 0.623 263 A CB -0.818 18.219 19.000 0.061 0.000 0.818 263 A HN 0.312 nan 8.150 nan 0.000 0.443 264 V N 0.750 120.705 119.914 0.068 0.000 2.287 264 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 264 V C 2.221 178.354 176.094 0.064 0.000 1.053 264 V CA 2.389 64.735 62.300 0.077 0.000 1.027 264 V CB -0.904 30.972 31.823 0.089 0.000 0.646 264 V HN 0.505 nan 8.190 nan 0.000 0.447 265 D N 0.039 120.474 120.400 0.059 0.000 2.133 265 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 265 D C 2.125 178.449 176.300 0.040 0.000 0.997 265 D CA 1.492 55.523 54.000 0.053 0.000 0.840 265 D CB -0.396 40.433 40.800 0.048 0.000 0.947 265 D HN 0.347 nan 8.370 nan 0.000 0.452 266 V N 0.447 120.383 119.914 0.037 0.000 2.427 266 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 266 V C 2.639 178.739 176.094 0.010 0.000 1.051 266 V CA 0.856 63.172 62.300 0.027 0.000 1.048 266 V CB -0.392 31.451 31.823 0.034 0.000 0.666 266 V HN 0.057 nan 8.190 nan 0.000 0.456 267 V N 0.036 119.957 119.914 0.013 0.000 2.287 267 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 267 V C 2.323 178.357 176.094 -0.099 0.000 1.053 267 V CA 2.130 64.418 62.300 -0.020 0.000 1.027 267 V CB -0.552 31.284 31.823 0.022 0.000 0.646 267 V HN 0.449 nan 8.190 nan 0.000 0.447 268 L N 0.090 121.272 121.223 -0.068 0.000 2.046 268 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 268 L C 2.486 179.312 176.870 -0.072 0.000 1.077 268 L CA 1.449 56.222 54.840 -0.112 0.000 0.747 268 L CB -0.858 41.220 42.059 0.032 0.000 0.896 268 L HN 0.369 nan 8.230 nan 0.000 0.432 269 N N 0.632 119.331 118.700 -0.003 0.000 2.069 269 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 269 N C 1.892 177.434 175.510 0.052 0.000 1.031 269 N CA 1.582 54.654 53.050 0.037 0.000 0.852 269 N CB -0.380 38.123 38.487 0.028 0.000 1.018 269 N HN 0.325 nan 8.380 nan 0.000 0.423 270 I N 0.938 121.513 120.570 0.008 0.000 2.226 270 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 270 I C 2.146 178.274 176.117 0.018 0.000 1.100 270 I CA 0.833 62.165 61.300 0.053 0.000 1.374 270 I CB -0.339 37.668 38.000 0.011 0.000 1.057 270 I HN 0.060 nan 8.210 nan 0.000 0.413 271 L N 0.549 121.646 121.223 -0.211 0.000 2.012 271 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 271 L C 2.400 179.137 176.870 -0.222 0.000 1.073 271 L CA 1.427 55.968 54.840 -0.499 0.000 0.748 271 L CB -0.796 40.455 42.059 -1.347 0.000 0.891 271 L HN 0.341 nan 8.230 nan 0.000 0.431 272 N N -0.255 118.422 118.700 -0.040 0.000 2.166 272 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 272 N C 1.740 177.407 175.510 0.261 0.000 1.019 272 N CA 1.372 54.564 53.050 0.238 0.000 0.856 272 N CB -0.360 38.272 38.487 0.241 0.000 0.993 272 N HN 0.266 nan 8.380 nan 0.000 0.426 273 F N 1.096 121.100 119.950 0.092 0.000 2.146 273 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 273 F C 1.999 177.893 175.800 0.157 0.000 1.096 273 F CA 1.289 59.353 58.000 0.107 0.000 1.275 273 F CB 0.118 39.157 39.000 0.065 0.000 1.008 273 F HN 0.015 nan 8.300 nan 0.000 0.480 274 A N -0.860 122.052 122.820 0.154 0.000 2.303 274 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 274 A C 0.509 178.131 177.584 0.064 0.000 1.205 274 A CA -0.485 51.622 52.037 0.116 0.000 0.875 274 A CB -0.761 18.340 19.000 0.168 0.000 0.910 274 A HN 0.527 nan 8.150 nan 0.000 0.501 275 W N 1.664 122.919 121.300 -0.074 0.000 2.216 275 W HA 0.251 4.911 4.660 -0.000 0.000 0.326 275 W C -1.225 175.187 176.519 -0.178 0.000 1.319 275 W CA 0.028 57.308 57.345 -0.108 0.000 1.213 275 W CB 0.606 30.151 29.460 0.142 0.000 1.171 275 W HN 0.176 nan 8.180 nan 0.000 0.557 276 D N 4.759 124.627 120.400 -0.886 0.000 2.393 276 D HA 0.003 4.643 4.640 -0.000 0.000 0.232 276 D C 0.965 177.011 176.300 -0.423 0.000 1.192 276 D CA 0.101 53.688 54.000 -0.688 0.000 0.882 276 D CB 0.289 40.521 40.800 -0.947 0.000 1.038 276 D HN 0.318 nan 8.370 nan 0.000 0.499 277 N N 2.986 121.656 118.700 -0.050 0.000 2.309 277 N HA -0.158 4.582 4.740 -0.000 0.000 0.182 277 N C 1.351 176.836 175.510 -0.041 0.000 1.018 277 N CA 0.548 53.649 53.050 0.085 0.000 0.876 277 N CB 0.212 38.776 38.487 0.128 0.000 0.972 277 N HN 0.667 nan 8.380 nan 0.000 0.434 278 E N -0.058 120.048 120.200 -0.156 0.000 2.046 278 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 278 E C 0.644 176.972 176.600 -0.453 0.000 0.982 278 E CA 1.147 57.328 56.400 -0.366 0.000 0.800 278 E CB 0.015 29.382 29.700 -0.554 0.000 0.756 278 E HN 0.432 nan 8.360 nan 0.000 0.449 279 Y N -0.596 119.626 120.300 -0.131 0.000 2.481 279 Y HA 0.357 4.907 4.550 -0.000 0.000 0.247 279 Y C 0.550 176.301 175.900 -0.249 0.000 1.151 279 Y CA -0.157 57.856 58.100 -0.145 0.000 1.238 279 Y CB 1.653 40.025 38.460 -0.147 0.000 1.179 279 Y HN 0.222 nan 8.280 nan 0.000 0.524 280 G N 0.379 108.952 108.800 -0.378 0.000 2.755 280 G HA2 0.300 4.260 3.960 -0.000 0.000 0.686 280 G HA3 0.300 4.260 3.960 -0.000 0.000 0.686 280 G C -0.038 173.831 174.900 -1.717 0.000 1.427 280 G CA -0.351 44.204 45.100 -0.908 0.000 0.873 280 G HN 1.098 nan 8.290 nan 0.000 0.580 281 G N -0.960 106.069 108.800 -2.952 0.000 2.663 281 G HA2 0.316 4.276 3.960 -0.000 0.000 0.686 281 G HA3 0.316 4.276 3.960 -0.000 0.000 0.686 281 G C -0.331 173.877 174.900 -1.153 0.000 1.246 281 G CA -0.191 43.790 45.100 -1.866 0.000 0.795 281 G HN 1.615 nan 8.290 nan 0.000 0.627 282 L N 0.832 121.819 121.223 -0.394 0.000 2.292 282 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 282 L C 0.654 177.339 176.870 -0.308 0.000 1.065 282 L CA -0.980 53.634 54.840 -0.377 0.000 0.806 282 L CB 0.944 42.803 42.059 -0.334 0.000 1.175 282 L HN 0.603 nan 8.230 nan 0.000 0.431 283 Y N 1.595 121.851 120.300 -0.074 0.000 2.702 283 Y HA -0.182 4.368 4.550 -0.000 0.000 0.336 283 Y C 1.197 177.109 175.900 0.020 0.000 1.235 283 Y CA 0.313 58.427 58.100 0.024 0.000 1.492 283 Y CB 0.435 39.001 38.460 0.177 0.000 1.308 283 Y HN 0.503 nan 8.280 nan 0.000 0.589 284 Y N 1.657 121.977 120.300 0.033 0.000 2.133 284 Y HA -0.075 4.475 4.550 -0.000 0.000 0.287 284 Y C 0.069 175.718 175.900 -0.417 0.000 1.134 284 Y CA 0.429 58.360 58.100 -0.282 0.000 1.133 284 Y CB 0.359 38.678 38.460 -0.235 0.000 0.987 284 Y HN 0.400 nan 8.280 nan 0.000 0.502 285 F N 0.176 120.274 119.950 0.247 0.000 2.576 285 F HA 0.520 5.047 4.527 -0.000 0.000 0.313 285 F C -0.412 175.506 175.800 0.197 0.000 1.078 285 F CA -0.967 57.104 58.000 0.119 0.000 0.921 285 F CB 2.086 41.077 39.000 -0.014 0.000 1.232 285 F HN -0.245 nan 8.300 nan 0.000 0.459 286 M N 1.421 121.201 119.600 0.300 0.000 2.631 286 M HA 0.320 4.800 4.480 -0.000 0.000 0.288 286 M C -1.859 174.474 176.300 0.055 0.000 1.260 286 M CA -0.837 54.536 55.300 0.121 0.000 0.842 286 M CB 2.656 35.366 32.600 0.183 0.000 1.743 286 M HN 0.461 nan 8.290 nan 0.000 0.461 287 D N 0.576 120.952 120.400 -0.040 0.000 2.391 287 D HA 0.496 5.136 4.640 -0.000 0.000 0.245 287 D C 0.216 176.491 176.300 -0.041 0.000 1.069 287 D CA -0.153 53.817 54.000 -0.050 0.000 0.831 287 D CB 2.251 43.007 40.800 -0.072 0.000 1.204 287 D HN 0.740 nan 8.370 nan 0.000 0.503 288 A N 3.181 125.949 122.820 -0.087 0.000 2.070 288 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 288 A C 1.655 179.200 177.584 -0.066 0.000 1.159 288 A CA 1.628 53.609 52.037 -0.092 0.000 0.656 288 A CB -0.061 18.788 19.000 -0.252 0.000 0.800 288 A HN 0.573 nan 8.150 nan 0.000 0.453 289 A N -2.166 120.552 122.820 -0.171 0.000 2.348 289 A HA 0.457 4.777 4.320 -0.000 0.000 0.224 289 A C 1.645 178.955 177.584 -0.457 0.000 1.227 289 A CA 1.007 52.845 52.037 -0.333 0.000 0.885 289 A CB -0.630 18.073 19.000 -0.495 0.000 0.933 289 A HN 1.776 nan 8.150 nan 0.000 0.506 290 G N -0.535 108.094 108.800 -0.285 0.000 2.143 290 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.249 290 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.249 290 G C 0.124 174.899 174.900 -0.209 0.000 0.981 290 G CA 0.348 45.312 45.100 -0.225 0.000 0.665 290 G HN 0.650 nan 8.290 nan 0.000 0.528 291 H N 0.572 119.583 119.070 -0.098 0.000 2.603 291 H HA 0.381 4.937 4.556 -0.000 0.000 0.370 291 H C -2.148 173.100 175.328 -0.133 0.000 1.225 291 H CA -1.727 54.257 56.048 -0.106 0.000 1.410 291 H CB -0.011 29.684 29.762 -0.112 0.000 1.495 291 H HN 0.073 nan 8.280 nan 0.000 0.602 292 P HA 0.092 nan 4.420 nan 0.000 0.265 292 P C -2.278 175.037 177.300 0.025 0.000 1.222 292 P CA -0.831 62.241 63.100 -0.046 0.000 0.767 292 P CB -0.111 31.595 31.700 0.011 0.000 0.801 293 P HA -0.019 nan 4.420 nan 0.000 0.270 293 P C 0.812 178.101 177.300 -0.017 0.000 1.223 293 P CA -0.095 62.982 63.100 -0.040 0.000 0.785 293 P CB 0.484 32.080 31.700 -0.173 0.000 0.923 294 Q N -0.143 119.558 119.800 -0.165 0.000 2.432 294 Q HA -0.040 4.300 4.340 -0.000 0.000 0.205 294 Q C -0.144 175.705 176.000 -0.252 0.000 0.945 294 Q CA 0.658 56.198 55.803 -0.438 0.000 0.924 294 Q CB -0.161 27.988 28.738 -0.983 0.000 1.016 294 Q HN 0.388 nan 8.270 nan 0.000 0.503 295 Q N 1.056 120.748 119.800 -0.181 0.000 2.307 295 Q HA 0.238 4.577 4.340 -0.000 0.000 0.259 295 Q C 0.416 176.494 176.000 0.130 0.000 0.998 295 Q CA 0.018 55.751 55.803 -0.116 0.000 0.923 295 Q CB 1.311 29.862 28.738 -0.312 0.000 1.196 295 Q HN 0.282 nan 8.270 nan 0.000 0.416 296 L N 2.018 123.296 121.223 0.092 0.000 2.265 296 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 296 L C 1.718 178.674 176.870 0.143 0.000 1.117 296 L CA 0.990 55.913 54.840 0.140 0.000 0.782 296 L CB -0.172 41.928 42.059 0.068 0.000 0.914 296 L HN 0.738 nan 8.230 nan 0.000 0.441 297 E N 0.409 120.723 120.200 0.190 0.000 2.437 297 E HA -0.138 4.212 4.350 -0.000 0.000 0.189 297 E C 1.657 178.437 176.600 0.300 0.000 1.054 297 E CA -0.153 56.388 56.400 0.236 0.000 0.874 297 E CB -0.361 29.573 29.700 0.390 0.000 1.011 297 E HN 0.661 nan 8.360 nan 0.000 0.474 298 W N 3.229 124.682 121.300 0.255 0.000 2.325 298 W HA -0.206 4.454 4.660 -0.000 0.000 0.299 298 W C 0.602 177.265 176.519 0.241 0.000 1.215 298 W CA 1.414 58.925 57.345 0.276 0.000 1.244 298 W CB -0.745 28.797 29.460 0.136 0.000 1.140 298 W HN 0.076 nan 8.180 nan 0.000 0.523 299 D N 0.508 120.358 120.400 -0.918 0.000 2.328 299 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 299 D C 0.478 176.654 176.300 -0.207 0.000 1.072 299 D CA 0.103 53.559 54.000 -0.907 0.000 0.850 299 D CB -0.575 39.152 40.800 -1.789 0.000 0.922 299 D HN 0.288 nan 8.370 nan 0.000 0.516 300 Q N 0.236 120.008 119.800 -0.048 0.000 2.382 300 Q HA 0.266 4.606 4.340 -0.000 0.000 0.229 300 Q C -0.136 175.889 176.000 0.042 0.000 1.006 300 Q CA -0.274 55.539 55.803 0.016 0.000 0.916 300 Q CB 0.994 29.795 28.738 0.105 0.000 1.235 300 Q HN -0.075 nan 8.270 nan 0.000 0.512 301 K N 2.158 122.583 120.400 0.043 0.000 2.449 301 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 301 K C -1.155 175.623 176.600 0.297 0.000 0.989 301 K CA -0.519 55.863 56.287 0.158 0.000 0.916 301 K CB 0.769 33.295 32.500 0.043 0.000 1.136 301 K HN 0.343 nan 8.250 nan 0.000 0.439 302 L N 2.375 123.669 121.223 0.119 0.000 2.317 302 L HA 0.392 4.732 4.340 -0.000 0.000 0.281 302 L C 1.432 178.106 176.870 -0.327 0.000 1.024 302 L CA -0.611 54.162 54.840 -0.112 0.000 0.810 302 L CB 1.056 42.685 42.059 -0.717 0.000 1.240 302 L HN 0.749 nan 8.230 nan 0.000 0.427 303 W N 3.937 124.850 121.300 -0.645 0.000 2.304 303 W HA -0.233 4.427 4.660 -0.000 0.000 0.315 303 W C 1.718 177.913 176.519 -0.539 0.000 1.233 303 W CA 1.550 58.306 57.345 -0.982 0.000 1.261 303 W CB -0.664 28.544 29.460 -0.421 0.000 1.150 303 W HN 0.685 nan 8.180 nan 0.000 0.494 304 W N 0.804 121.145 121.300 -1.598 0.000 2.476 304 W HA 0.007 4.667 4.660 -0.000 0.000 0.281 304 W C 1.639 177.707 176.519 -0.752 0.000 1.230 304 W CA 1.003 57.506 57.345 -1.404 0.000 1.287 304 W CB -1.396 26.808 29.460 -2.095 0.000 1.108 304 W HN -0.105 nan 8.180 nan 0.000 0.567 305 V N 2.151 121.230 119.914 -1.391 0.000 2.392 305 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 305 V C 2.718 178.425 176.094 -0.644 0.000 1.059 305 V CA 2.374 63.987 62.300 -1.145 0.000 1.051 305 V CB -1.020 30.059 31.823 -1.241 0.000 0.658 305 V HN 0.271 nan 8.190 nan 0.000 0.455 306 H N -1.126 117.731 119.070 -0.355 0.000 2.384 306 H HA 0.095 4.651 4.556 -0.000 0.000 0.300 306 H C 2.368 177.693 175.328 -0.006 0.000 1.057 306 H CA 1.208 57.213 56.048 -0.072 0.000 1.370 306 H CB -0.017 29.789 29.762 0.074 0.000 1.417 306 H HN 0.318 nan 8.280 nan 0.000 0.527 307 L N 1.127 122.349 121.223 -0.002 0.000 2.042 307 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 307 L C 2.437 179.336 176.870 0.049 0.000 1.076 307 L CA 1.199 56.034 54.840 -0.009 0.000 0.749 307 L CB -0.180 41.790 42.059 -0.149 0.000 0.893 307 L HN 0.197 nan 8.230 nan 0.000 0.432 308 E N -0.500 119.747 120.200 0.079 0.000 2.274 308 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 308 E C 2.329 179.069 176.600 0.233 0.000 0.996 308 E CA 0.901 57.455 56.400 0.257 0.000 0.840 308 E CB -0.091 29.863 29.700 0.424 0.000 0.772 308 E HN 0.399 nan 8.360 nan 0.000 0.491 309 S N 1.014 116.790 115.700 0.126 0.000 2.387 309 S HA -0.017 4.453 4.470 -0.000 0.000 0.226 309 S C 2.141 176.857 174.600 0.194 0.000 1.026 309 S CA 0.491 58.767 58.200 0.127 0.000 0.972 309 S CB -0.126 63.104 63.200 0.050 0.000 0.814 309 S HN 0.179 nan 8.310 nan 0.000 0.477 310 L N 1.144 122.503 121.223 0.228 0.000 2.017 310 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 310 L C 2.366 179.402 176.870 0.278 0.000 1.073 310 L CA 0.925 55.984 54.840 0.366 0.000 0.745 310 L CB -0.900 41.428 42.059 0.448 0.000 0.894 310 L HN 0.187 nan 8.230 nan 0.000 0.432 311 V N 0.275 120.212 119.914 0.038 0.000 2.255 311 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 311 V C 2.805 178.804 176.094 -0.159 0.000 1.051 311 V CA 2.020 64.172 62.300 -0.247 0.000 1.018 311 V CB -1.047 30.367 31.823 -0.681 0.000 0.641 311 V HN 0.506 nan 8.190 nan 0.000 0.445 312 A N -0.419 122.429 122.820 0.046 0.000 1.908 312 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 312 A C 2.228 179.912 177.584 0.166 0.000 1.181 312 A CA 1.994 54.151 52.037 0.200 0.000 0.627 312 A CB -0.557 18.625 19.000 0.304 0.000 0.818 312 A HN 0.510 nan 8.150 nan 0.000 0.445 313 L N -0.977 120.376 121.223 0.217 0.000 2.072 313 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 313 L C 3.117 180.155 176.870 0.280 0.000 1.079 313 L CA 0.953 55.970 54.840 0.295 0.000 0.752 313 L CB -0.552 41.759 42.059 0.421 0.000 0.906 313 L HN 0.424 nan 8.230 nan 0.000 0.436 314 A N -0.321 122.615 122.820 0.194 0.000 1.883 314 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 314 A C 2.341 179.816 177.584 -0.181 0.000 1.186 314 A CA 2.082 54.014 52.037 -0.174 0.000 0.624 314 A CB -0.564 18.103 19.000 -0.554 0.000 0.822 314 A HN 0.389 nan 8.150 nan 0.000 0.444 315 M N -0.560 118.959 119.600 -0.134 0.000 2.117 315 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 315 M C 2.119 178.409 176.300 -0.018 0.000 1.065 315 M CA 1.705 56.937 55.300 -0.115 0.000 1.114 315 M CB -0.395 32.156 32.600 -0.082 0.000 1.361 315 M HN 0.467 nan 8.290 nan 0.000 0.408 316 G N -1.064 107.779 108.800 0.071 0.000 2.418 316 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 316 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 316 G C 1.234 176.223 174.900 0.149 0.000 1.158 316 G CA 0.817 45.987 45.100 0.115 0.000 0.771 316 G HN 0.521 nan 8.290 nan 0.000 0.545 317 Y N 1.377 121.697 120.300 0.033 0.000 2.220 317 Y HA 0.043 4.593 4.550 -0.000 0.000 0.291 317 Y C 2.816 178.684 175.900 -0.053 0.000 1.129 317 Y CA 1.375 59.494 58.100 0.033 0.000 1.161 317 Y CB -0.280 38.244 38.460 0.106 0.000 0.997 317 Y HN 0.082 nan 8.280 nan 0.000 0.522 318 R N 0.554 120.949 120.500 -0.175 0.000 2.091 318 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 318 R C 1.985 178.159 176.300 -0.210 0.000 1.136 318 R CA 2.019 57.953 56.100 -0.276 0.000 0.959 318 R CB -0.703 29.448 30.300 -0.249 0.000 0.856 318 R HN 0.489 nan 8.270 nan 0.000 0.437 319 L N -0.368 120.783 121.223 -0.121 0.000 2.375 319 L HA -0.008 4.332 4.340 -0.000 0.000 0.215 319 L C 2.016 178.846 176.870 -0.066 0.000 1.108 319 L CA 1.399 56.188 54.840 -0.084 0.000 0.830 319 L CB 0.086 42.119 42.059 -0.044 0.000 0.959 319 L HN 0.350 nan 8.230 nan 0.000 0.457 320 T N -5.994 108.529 114.554 -0.050 0.000 2.958 320 T HA 0.217 4.567 4.350 -0.000 0.000 0.256 320 T C 1.477 176.158 174.700 -0.032 0.000 0.983 320 T CA 0.543 62.633 62.100 -0.016 0.000 0.924 320 T CB 0.873 69.767 68.868 0.044 0.000 1.136 320 T HN 0.262 nan 8.240 nan 0.000 0.506 321 G N 2.390 111.119 108.800 -0.118 0.000 2.175 321 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 321 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 321 G C 0.174 175.180 174.900 0.177 0.000 0.979 321 G CA 0.103 45.105 45.100 -0.164 0.000 0.663 321 G HN 0.684 nan 8.290 nan 0.000 0.533 322 R N 0.350 121.002 120.500 0.253 0.000 2.404 322 R HA 0.180 4.520 4.340 -0.000 0.000 0.315 322 R C 0.752 177.278 176.300 0.376 0.000 1.032 322 R CA 0.006 56.269 56.100 0.273 0.000 0.992 322 R CB 0.370 30.790 30.300 0.200 0.000 0.959 322 R HN 0.144 nan 8.270 nan 0.000 0.428 323 D N 2.872 123.445 120.400 0.289 0.000 2.178 323 D HA -0.145 4.494 4.640 -0.000 0.000 0.201 323 D C 1.777 178.189 176.300 0.186 0.000 0.980 323 D CA 1.413 55.558 54.000 0.243 0.000 0.842 323 D CB -0.013 40.904 40.800 0.196 0.000 0.948 323 D HN 0.654 nan 8.370 nan 0.000 0.472 324 A N 0.390 123.319 122.820 0.181 0.000 1.958 324 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 324 A C 2.480 180.212 177.584 0.246 0.000 1.178 324 A CA 1.602 53.752 52.037 0.188 0.000 0.642 324 A CB -1.056 18.063 19.000 0.198 0.000 0.816 324 A HN 0.384 nan 8.150 nan 0.000 0.453 325 C N -2.400 117.054 119.300 0.257 0.000 2.446 325 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 325 C C 2.415 177.570 174.990 0.276 0.000 1.275 325 C CA 0.515 59.708 59.018 0.292 0.000 1.727 325 C CB -1.528 26.410 27.740 0.331 0.000 2.010 325 C HN 0.842 nan 8.230 nan 0.000 0.486 326 W N 1.600 122.772 121.300 -0.213 0.000 2.388 326 W HA -0.084 4.576 4.660 -0.000 0.000 0.294 326 W C 2.340 178.828 176.519 -0.053 0.000 1.212 326 W CA 1.162 58.281 57.345 -0.377 0.000 1.271 326 W CB -0.270 28.596 29.460 -0.990 0.000 1.126 326 W HN 0.331 nan 8.180 nan 0.000 0.535 327 A N 0.096 122.853 122.820 -0.105 0.000 1.877 327 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 327 A C 1.684 179.118 177.584 -0.250 0.000 1.186 327 A CA 1.737 53.620 52.037 -0.258 0.000 0.620 327 A CB -1.663 17.234 19.000 -0.172 0.000 0.822 327 A HN 0.521 nan 8.150 nan 0.000 0.443 328 W N -1.701 119.525 121.300 -0.123 0.000 2.388 328 W HA -0.118 4.542 4.660 -0.000 0.000 0.294 328 W C 2.120 178.575 176.519 -0.108 0.000 1.212 328 W CA 1.233 58.497 57.345 -0.136 0.000 1.271 328 W CB -0.338 29.081 29.460 -0.069 0.000 1.126 328 W HN 0.556 nan 8.180 nan 0.000 0.535 329 Y N 1.405 121.807 120.300 0.170 0.000 2.081 329 Y HA -0.400 4.150 4.550 -0.000 0.000 0.280 329 Y C 2.319 178.256 175.900 0.061 0.000 1.163 329 Y CA 2.544 60.749 58.100 0.175 0.000 1.135 329 Y CB -0.681 37.939 38.460 0.266 0.000 0.970 329 Y HN 0.023 nan 8.280 nan 0.000 0.498 330 Q N 0.016 119.660 119.800 -0.260 0.000 2.119 330 Q HA -0.208 4.131 4.340 -0.000 0.000 0.201 330 Q C 2.318 178.201 176.000 -0.195 0.000 0.972 330 Q CA 1.749 57.345 55.803 -0.344 0.000 0.847 330 Q CB -0.229 28.180 28.738 -0.549 0.000 0.903 330 Q HN 0.456 nan 8.270 nan 0.000 0.433 331 K N 0.466 120.736 120.400 -0.218 0.000 2.026 331 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 331 K C 2.075 178.702 176.600 0.044 0.000 1.048 331 K CA 1.348 57.516 56.287 -0.198 0.000 0.929 331 K CB -0.020 32.140 32.500 -0.567 0.000 0.713 331 K HN 0.073 nan 8.250 nan 0.000 0.439 332 M N 0.338 120.004 119.600 0.109 0.000 2.159 332 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 332 M C 1.846 178.354 176.300 0.346 0.000 1.063 332 M CA 1.865 57.358 55.300 0.322 0.000 1.110 332 M CB -0.515 32.241 32.600 0.260 0.000 1.374 332 M HN 0.355 nan 8.290 nan 0.000 0.411 333 H N -0.431 118.642 119.070 0.005 0.000 2.293 333 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 333 H C 1.519 177.061 175.328 0.356 0.000 1.082 333 H CA 2.400 58.545 56.048 0.162 0.000 1.308 333 H CB -0.070 29.603 29.762 -0.148 0.000 1.375 333 H HN 0.362 nan 8.280 nan 0.000 0.495 334 D N -0.458 120.197 120.400 0.425 0.000 2.097 334 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 334 D C 1.939 178.433 176.300 0.324 0.000 0.989 334 D CA 1.326 55.530 54.000 0.339 0.000 0.827 334 D CB -0.662 40.266 40.800 0.213 0.000 0.966 334 D HN 0.471 nan 8.370 nan 0.000 0.456 335 Y N 1.666 122.160 120.300 0.324 0.000 2.145 335 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 335 Y C 2.451 178.564 175.900 0.353 0.000 1.145 335 Y CA 1.904 60.234 58.100 0.384 0.000 1.148 335 Y CB -0.211 38.524 38.460 0.460 0.000 0.981 335 Y HN -0.136 nan 8.280 nan 0.000 0.507 336 S N -0.494 115.440 115.700 0.389 0.000 2.345 336 S HA -0.204 4.266 4.470 -0.000 0.000 0.220 336 S C 1.600 176.155 174.600 -0.075 0.000 1.031 336 S CA 1.402 59.795 58.200 0.322 0.000 0.996 336 S CB -0.860 62.638 63.200 0.496 0.000 0.882 336 S HN 0.658 nan 8.310 nan 0.000 0.445 337 W N 2.297 123.521 121.300 -0.128 0.000 2.338 337 W HA -0.103 4.557 4.660 -0.000 0.000 0.304 337 W C 2.673 178.965 176.519 -0.378 0.000 1.212 337 W CA 0.924 58.072 57.345 -0.330 0.000 1.264 337 W CB -0.475 28.833 29.460 -0.253 0.000 1.142 337 W HN 0.381 nan 8.180 nan 0.000 0.512 338 Q N -1.541 118.197 119.800 -0.103 0.000 2.172 338 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 338 Q C 1.843 177.503 176.000 -0.567 0.000 0.964 338 Q CA 1.228 56.848 55.803 -0.305 0.000 0.855 338 Q CB -0.338 28.202 28.738 -0.329 0.000 0.918 338 Q HN 0.521 nan 8.270 nan 0.000 0.444 339 H N -1.693 117.019 119.070 -0.598 0.000 2.451 339 H HA 0.061 4.617 4.556 -0.000 0.000 0.294 339 H C 1.319 176.175 175.328 -0.786 0.000 1.028 339 H CA 0.764 56.330 56.048 -0.804 0.000 1.349 339 H CB 0.317 29.316 29.762 -1.272 0.000 1.444 339 H HN 0.221 nan 8.280 nan 0.000 0.538 340 F N 1.133 120.801 119.950 -0.470 0.000 2.505 340 F HA 0.306 4.832 4.527 -0.000 0.000 0.289 340 F C 1.605 176.925 175.800 -0.799 0.000 1.101 340 F CA -0.052 57.676 58.000 -0.454 0.000 1.446 340 F CB 0.246 39.055 39.000 -0.319 0.000 1.123 340 F HN -0.067 nan 8.300 nan 0.000 0.564 341 A N 0.387 122.486 122.820 -1.201 0.000 2.477 341 A HA 0.208 4.527 4.320 -0.000 0.000 0.246 341 A C -0.410 176.910 177.584 -0.440 0.000 1.078 341 A CA 0.164 51.446 52.037 -1.259 0.000 0.770 341 A CB -0.132 18.338 19.000 -0.883 0.000 1.011 341 A HN 0.214 nan 8.150 nan 0.000 0.494 342 D N 2.303 122.521 120.400 -0.303 0.000 2.739 342 D HA 0.294 4.934 4.640 -0.000 0.000 0.335 342 D C -1.698 174.574 176.300 -0.048 0.000 1.216 342 D CA -1.316 52.580 54.000 -0.172 0.000 0.808 342 D CB 0.709 41.238 40.800 -0.451 0.000 1.121 342 D HN 0.224 nan 8.370 nan 0.000 0.499 343 P HA -0.136 nan 4.420 nan 0.000 0.222 343 P C 0.955 178.256 177.300 0.003 0.000 1.147 343 P CA 0.830 63.955 63.100 0.042 0.000 0.790 343 P CB 0.517 32.254 31.700 0.063 0.000 0.780 344 E N -1.370 118.800 120.200 -0.050 0.000 2.204 344 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 344 E C 1.180 177.562 176.600 -0.363 0.000 0.990 344 E CA 1.083 57.356 56.400 -0.212 0.000 0.821 344 E CB -0.318 29.210 29.700 -0.287 0.000 0.750 344 E HN 0.455 nan 8.360 nan 0.000 0.477 345 Y N -1.044 119.270 120.300 0.023 0.000 2.426 345 Y HA 0.307 4.857 4.550 -0.000 0.000 0.249 345 Y C 0.784 176.788 175.900 0.173 0.000 1.103 345 Y CA 0.170 58.316 58.100 0.076 0.000 1.256 345 Y CB 1.704 40.182 38.460 0.029 0.000 1.208 345 Y HN 0.001 nan 8.280 nan 0.000 0.519 346 G N 1.030 109.943 108.800 0.188 0.000 2.675 346 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 346 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 346 G C -0.556 174.173 174.900 -0.286 0.000 1.215 346 G CA -0.456 44.730 45.100 0.143 0.000 0.777 346 G HN 0.087 nan 8.290 nan 0.000 0.638 347 E N -1.601 118.442 120.200 -0.263 0.000 8.077 347 E HA -0.202 4.148 4.350 -0.000 0.000 0.162 347 E C -0.697 175.911 176.600 0.013 0.000 1.458 347 E CA 1.758 57.972 56.400 -0.310 0.000 2.527 347 E CB -0.563 28.513 29.700 -1.040 0.000 1.500 347 E HN 1.014 nan 8.360 nan 0.000 0.455 348 W N -0.264 120.819 121.300 -0.362 0.000 2.736 348 W HA 0.511 5.171 4.660 -0.000 0.000 0.335 348 W C 0.222 176.575 176.519 -0.276 0.000 1.059 348 W CA -0.581 56.616 57.345 -0.247 0.000 1.226 348 W CB 0.392 29.797 29.460 -0.092 0.000 1.416 348 W HN 0.319 nan 8.180 nan 0.000 0.505 349 F N 1.269 121.272 119.950 0.089 0.000 2.545 349 F HA 0.243 4.770 4.527 -0.000 0.000 0.348 349 F C 1.566 177.406 175.800 0.066 0.000 1.163 349 F CA 1.226 59.256 58.000 0.051 0.000 1.331 349 F CB 0.432 39.462 39.000 0.049 0.000 1.138 349 F HN 0.564 nan 8.300 nan 0.000 0.602 350 G N 0.795 109.609 108.800 0.023 0.000 2.490 350 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.211 350 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.211 350 G C -0.596 174.222 174.900 -0.136 0.000 1.159 350 G CA 0.170 44.966 45.100 -0.506 0.000 0.819 350 G HN 0.505 nan 8.290 nan 0.000 0.539 351 Y N 0.432 120.925 120.300 0.321 0.000 2.363 351 Y HA 0.595 5.145 4.550 -0.000 0.000 0.325 351 Y C -0.268 175.688 175.900 0.093 0.000 0.984 351 Y CA -0.838 57.403 58.100 0.235 0.000 1.248 351 Y CB 1.567 40.125 38.460 0.164 0.000 1.116 351 Y HN -0.140 nan 8.280 nan 0.000 0.470 352 L N 3.482 124.810 121.223 0.175 0.000 2.334 352 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 352 L C -0.110 176.738 176.870 -0.037 0.000 1.013 352 L CA -1.275 53.535 54.840 -0.050 0.000 0.816 352 L CB 1.507 43.413 42.059 -0.255 0.000 1.278 352 L HN 0.642 nan 8.230 nan 0.000 0.431 353 N N 1.173 119.806 118.700 -0.111 0.000 2.285 353 N HA 0.062 4.802 4.740 -0.000 0.000 0.262 353 N C 0.751 176.151 175.510 -0.184 0.000 1.299 353 N CA -0.353 52.619 53.050 -0.131 0.000 0.930 353 N CB 0.385 38.780 38.487 -0.154 0.000 1.157 353 N HN 0.570 nan 8.380 nan 0.000 0.532 354 R N -0.351 120.017 120.500 -0.221 0.000 2.091 354 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 354 R C 1.440 177.518 176.300 -0.370 0.000 1.136 354 R CA 1.317 57.271 56.100 -0.244 0.000 0.959 354 R CB -0.053 30.111 30.300 -0.227 0.000 0.856 354 R HN 0.567 nan 8.270 nan 0.000 0.437 355 R N -0.885 119.299 120.500 -0.527 0.000 2.323 355 R HA 0.050 4.390 4.340 -0.000 0.000 0.198 355 R C 0.897 177.008 176.300 -0.314 0.000 0.988 355 R CA 0.593 56.300 56.100 -0.654 0.000 1.041 355 R CB 0.306 30.211 30.300 -0.658 0.000 0.926 355 R HN 0.554 nan 8.270 nan 0.000 0.476 356 G N 1.458 110.086 108.800 -0.286 0.000 2.132 356 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.234 356 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.234 356 G C -0.360 174.397 174.900 -0.239 0.000 0.989 356 G CA -0.198 44.729 45.100 -0.289 0.000 0.676 356 G HN 0.396 nan 8.290 nan 0.000 0.522 357 E N -0.179 119.878 120.200 -0.238 0.000 2.301 357 E HA 0.461 4.811 4.350 -0.000 0.000 0.275 357 E C 0.686 177.122 176.600 -0.273 0.000 1.030 357 E CA -0.835 55.421 56.400 -0.240 0.000 0.852 357 E CB 1.904 31.485 29.700 -0.199 0.000 1.060 357 E HN 0.103 nan 8.360 nan 0.000 0.401 358 V N 4.548 124.248 119.914 -0.357 0.000 2.475 358 V HA -0.130 3.990 4.120 -0.000 0.000 0.292 358 V C 1.250 177.211 176.094 -0.223 0.000 1.003 358 V CA 0.690 62.748 62.300 -0.403 0.000 1.120 358 V CB 0.095 31.490 31.823 -0.712 0.000 0.937 358 V HN 0.769 nan 8.190 nan 0.000 0.476 359 L N 5.172 126.321 121.223 -0.123 0.000 2.202 359 L HA 0.292 4.632 4.340 -0.000 0.000 0.205 359 L C 0.322 177.169 176.870 -0.038 0.000 1.083 359 L CA 1.061 55.867 54.840 -0.057 0.000 0.790 359 L CB 0.363 42.430 42.059 0.012 0.000 0.942 359 L HN 0.459 nan 8.230 nan 0.000 0.452 360 L N 0.176 121.408 121.223 0.015 0.000 2.409 360 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 360 L C -0.555 176.353 176.870 0.064 0.000 0.980 360 L CA -0.529 54.324 54.840 0.023 0.000 0.826 360 L CB 1.666 43.750 42.059 0.043 0.000 1.268 360 L HN -0.129 nan 8.230 nan 0.000 0.407 361 N N 3.875 122.581 118.700 0.009 0.000 3.178 361 N HA 0.341 5.081 4.740 -0.000 0.000 0.300 361 N C -1.282 174.283 175.510 0.093 0.000 1.242 361 N CA -0.131 52.962 53.050 0.071 0.000 1.192 361 N CB -0.365 38.114 38.487 -0.012 0.000 1.463 361 N HN 0.399 nan 8.380 nan 0.000 0.539 362 L N -1.330 120.018 121.223 0.209 0.000 2.393 362 L HA 0.676 5.016 4.340 -0.000 0.000 0.260 362 L C 0.430 177.398 176.870 0.164 0.000 1.002 362 L CA -0.538 54.421 54.840 0.198 0.000 0.818 362 L CB 1.633 43.845 42.059 0.254 0.000 1.369 362 L HN -0.267 nan 8.230 nan 0.000 0.412 363 K N 0.905 121.364 120.400 0.098 0.000 2.367 363 K HA 0.537 4.857 4.320 -0.000 0.000 0.195 363 K C 0.365 177.017 176.600 0.085 0.000 1.060 363 K CA 0.642 56.900 56.287 -0.049 0.000 1.022 363 K CB 1.386 33.736 32.500 -0.251 0.000 0.894 363 K HN 0.959 nan 8.250 nan 0.000 0.540 364 G N -0.602 108.344 108.800 0.244 0.000 2.690 364 G HA2 0.588 4.548 3.960 -0.000 0.000 0.291 364 G HA3 0.588 4.548 3.960 -0.000 0.000 0.291 364 G C -0.570 174.549 174.900 0.365 0.000 1.403 364 G CA -0.101 45.213 45.100 0.356 0.000 0.864 364 G HN 0.153 nan 8.290 nan 0.000 0.480 365 G N -0.787 108.216 108.800 0.338 0.000 2.899 365 G HA2 0.358 4.318 3.960 -0.000 0.000 0.137 365 G HA3 0.358 4.318 3.960 -0.000 0.000 0.137 365 G C 0.608 175.564 174.900 0.094 0.000 1.198 365 G CA 0.379 45.645 45.100 0.277 0.000 1.126 365 G HN 0.697 nan 8.290 nan 0.000 0.589 366 K N -1.062 119.234 120.400 -0.173 0.000 2.217 366 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 366 K C 1.182 177.284 176.600 -0.830 0.000 1.051 366 K CA 1.077 56.799 56.287 -0.942 0.000 0.952 366 K CB -0.038 31.726 32.500 -1.227 0.000 0.736 366 K HN 0.523 nan 8.250 nan 0.000 0.453 367 W N 0.347 121.747 121.300 0.167 0.000 2.555 367 W HA 0.262 4.922 4.660 -0.000 0.000 0.324 367 W C -0.182 176.619 176.519 0.470 0.000 0.973 367 W CA -0.726 56.821 57.345 0.337 0.000 1.481 367 W CB 0.879 30.601 29.460 0.437 0.000 1.064 367 W HN -0.253 nan 8.180 nan 0.000 0.543 368 K N 1.153 121.864 120.400 0.519 0.000 2.358 368 K HA 0.649 4.969 4.320 -0.000 0.000 0.260 368 K C 0.076 176.877 176.600 0.335 0.000 0.956 368 K CA -0.188 56.318 56.287 0.365 0.000 0.834 368 K CB 1.121 33.526 32.500 -0.157 0.000 1.102 368 K HN -0.008 nan 8.250 nan 0.000 0.431 369 G N 1.223 110.198 108.800 0.292 0.000 3.085 369 G HA2 0.161 4.121 3.960 -0.000 0.000 0.264 369 G HA3 0.161 4.121 3.960 -0.000 0.000 0.264 369 G C -1.230 173.438 174.900 -0.387 0.000 1.206 369 G CA -0.522 44.603 45.100 0.042 0.000 0.809 369 G HN 0.618 nan 8.290 nan 0.000 0.592 370 C N 1.263 120.026 119.300 -0.895 0.000 2.484 370 C HA 0.734 5.194 4.460 -0.000 0.000 0.494 370 C C 0.490 175.298 174.990 -0.303 0.000 1.052 370 C CA -0.443 57.921 59.018 -1.089 0.000 1.307 370 C CB -2.713 24.222 27.740 -1.342 0.000 1.464 370 C HN 0.520 nan 8.230 nan 0.000 0.564 371 F N 1.365 121.163 119.950 -0.253 0.000 1.837 371 F HA 0.213 4.740 4.527 -0.000 0.000 0.229 371 F C 1.926 177.687 175.800 -0.064 0.000 1.246 371 F CA 0.127 58.028 58.000 -0.166 0.000 1.302 371 F CB -0.258 38.584 39.000 -0.264 0.000 1.918 371 F HN 0.329 nan 8.300 nan 0.000 0.224 372 H N 0.749 119.655 119.070 -0.274 0.000 2.321 372 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 372 H C 2.207 177.428 175.328 -0.177 0.000 1.087 372 H CA 2.266 58.094 56.048 -0.368 0.000 1.319 372 H CB -0.343 29.353 29.762 -0.111 0.000 1.379 372 H HN 0.184 nan 8.280 nan 0.000 0.501 373 V N 2.027 122.017 119.914 0.128 0.000 2.220 373 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 373 V C -0.313 175.712 176.094 -0.116 0.000 1.049 373 V CA 2.387 64.647 62.300 -0.067 0.000 1.003 373 V CB -1.603 30.190 31.823 -0.051 0.000 0.634 373 V HN 0.409 nan 8.190 nan 0.000 0.444 374 P HA -0.181 nan 4.420 nan 0.000 0.217 374 P C 1.652 178.919 177.300 -0.055 0.000 1.150 374 P CA 1.529 64.574 63.100 -0.092 0.000 0.832 374 P CB -0.116 31.464 31.700 -0.201 0.000 0.787 375 R N 0.278 120.722 120.500 -0.093 0.000 2.073 375 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 375 R C 2.310 178.600 176.300 -0.018 0.000 1.134 375 R CA 1.704 57.792 56.100 -0.021 0.000 0.952 375 R CB -0.791 29.437 30.300 -0.121 0.000 0.850 375 R HN 0.053 nan 8.270 nan 0.000 0.433 376 A N 0.791 123.558 122.820 -0.088 0.000 1.902 376 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 376 A C 2.136 179.697 177.584 -0.039 0.000 1.181 376 A CA 1.302 53.276 52.037 -0.105 0.000 0.623 376 A CB -0.324 18.611 19.000 -0.107 0.000 0.818 376 A HN 0.254 nan 8.150 nan 0.000 0.443 377 M N -1.791 117.843 119.600 0.057 0.000 2.086 377 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 377 M C 2.172 178.651 176.300 0.298 0.000 1.067 377 M CA 1.500 56.966 55.300 0.276 0.000 1.116 377 M CB -1.581 31.170 32.600 0.252 0.000 1.348 377 M HN 0.626 nan 8.290 nan 0.000 0.407 378 Y N 1.243 121.623 120.300 0.133 0.000 2.097 378 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 378 Y C 2.197 178.108 175.900 0.018 0.000 1.152 378 Y CA 1.786 59.987 58.100 0.168 0.000 1.136 378 Y CB -0.562 37.916 38.460 0.030 0.000 0.975 378 Y HN 0.098 nan 8.280 nan 0.000 0.498 379 L N -1.215 119.904 121.223 -0.174 0.000 2.012 379 L HA -0.313 4.026 4.340 -0.000 0.000 0.210 379 L C 2.632 179.266 176.870 -0.392 0.000 1.073 379 L CA 1.516 56.136 54.840 -0.368 0.000 0.748 379 L CB -0.938 40.876 42.059 -0.408 0.000 0.891 379 L HN 0.357 nan 8.230 nan 0.000 0.431 380 C N -1.246 117.845 119.300 -0.348 0.000 2.440 380 C HA -0.182 4.278 4.460 -0.000 0.000 0.278 380 C C 2.578 177.479 174.990 -0.148 0.000 1.295 380 C CA -0.035 58.721 59.018 -0.437 0.000 1.738 380 C CB -1.015 26.147 27.740 -0.963 0.000 1.987 380 C HN 0.807 nan 8.230 nan 0.000 0.492 381 W N 1.983 123.174 121.300 -0.182 0.000 2.335 381 W HA -0.170 4.490 4.660 -0.000 0.000 0.311 381 W C 2.219 178.672 176.519 -0.110 0.000 1.213 381 W CA 1.702 59.059 57.345 0.021 0.000 1.274 381 W CB -0.878 28.612 29.460 0.051 0.000 1.148 381 W HN 0.319 nan 8.180 nan 0.000 0.498 382 Q N 0.022 119.543 119.800 -0.466 0.000 2.119 382 Q HA -0.192 4.148 4.340 -0.000 0.000 0.201 382 Q C 2.037 177.814 176.000 -0.371 0.000 0.972 382 Q CA 1.713 57.155 55.803 -0.601 0.000 0.847 382 Q CB -0.859 27.423 28.738 -0.759 0.000 0.903 382 Q HN 0.442 nan 8.270 nan 0.000 0.433 383 Q N -0.115 119.456 119.800 -0.381 0.000 2.084 383 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 383 Q C 2.095 177.843 176.000 -0.420 0.000 0.978 383 Q CA 1.181 56.718 55.803 -0.443 0.000 0.844 383 Q CB -0.587 27.782 28.738 -0.614 0.000 0.898 383 Q HN 0.427 nan 8.270 nan 0.000 0.426 384 F N 1.509 121.414 119.950 -0.076 0.000 2.293 384 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 384 F C 2.342 178.143 175.800 0.002 0.000 1.086 384 F CA 0.615 58.609 58.000 -0.010 0.000 1.375 384 F CB 0.048 39.098 39.000 0.082 0.000 1.045 384 F HN 0.051 nan 8.300 nan 0.000 0.516 385 E N 0.596 120.875 120.200 0.131 0.000 2.038 385 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 385 E C 2.478 179.066 176.600 -0.021 0.000 1.000 385 E CA 1.339 57.776 56.400 0.062 0.000 0.803 385 E CB -0.734 28.942 29.700 -0.039 0.000 0.750 385 E HN 0.369 nan 8.360 nan 0.000 0.448 386 A N 1.208 123.969 122.820 -0.098 0.000 1.902 386 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 386 A C 2.441 179.958 177.584 -0.112 0.000 1.181 386 A CA 1.096 53.063 52.037 -0.118 0.000 0.623 386 A CB -0.770 18.134 19.000 -0.160 0.000 0.818 386 A HN 0.165 nan 8.150 nan 0.000 0.443 387 L N -0.347 120.802 121.223 -0.123 0.000 1.989 387 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 387 L C 2.104 178.936 176.870 -0.064 0.000 1.071 387 L CA 1.075 55.839 54.840 -0.126 0.000 0.749 387 L CB -0.514 41.489 42.059 -0.094 0.000 0.890 387 L HN 0.469 nan 8.230 nan 0.000 0.431 388 S N 0.000 115.706 115.700 0.009 0.000 2.498 388 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 388 S CA 0.000 58.211 58.200 0.018 0.000 1.107 388 S CB 0.000 63.241 63.200 0.068 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517